#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqg s VAL 2 N 0.00 5.37 -0.08 2.03 1.01 -1.26 -4.38 120.40 123.09 1cqg s VAL 2 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1cqg s VAL 2 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1cqg s VAL 2 CO 0.00 0.27 -0.09 -0.75 0.00 0.00 0.00 175.10 174.53 1cqg s LYS 3 N -2.09 1.49 -0.22 2.72 2.20 -1.14 -5.06 119.74 117.65 1cqg s LYS 3 Ca 0.30 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 1cqg s LYS 3 Cb -0.13 -1.40 -0.05 0.00 -1.51 0.00 0.00 37.83 34.75 1cqg s LYS 3 CO 0.21 -0.12 0.24 -1.14 -0.36 0.00 0.00 175.35 174.18 1cqg s GLN 4 N 1.16 4.13 -0.38 4.03 0.74 -1.26 -2.45 119.66 125.64 1cqg s GLN 4 Ca -0.05 -0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.13 1cqg s GLN 4 Cb -0.14 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.46 1cqg s GLN 4 CO -0.02 0.07 0.28 0.42 -0.55 0.00 0.00 175.29 175.49 1cqg s ILE 5 N 1.01 5.26 -2.75 -2.34 -1.09 -1.06 -4.91 121.20 115.32 1cqg s ILE 5 Ca 0.12 -0.49 0.25 0.00 -2.23 0.00 0.00 60.65 58.30 1cqg s ILE 5 Cb -0.14 -3.84 0.30 0.00 -1.58 0.00 0.00 42.46 37.20 1cqg s ILE 5 CO 0.05 -0.19 1.42 -0.62 -1.23 0.00 0.00 174.94 174.36 1cqg n GLU 6 N 5.14 2.02 -3.66 2.79 -0.58 -1.26 -4.45 120.64 120.63 1cqg n GLU 6 Ca -0.12 -1.53 -0.12 0.00 -0.42 0.00 0.00 57.16 54.97 1cqg n GLU 6 Cb 0.48 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.82 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cqg s SER 7 N -2.04 -0.27 0.36 1.62 1.04 -1.26 -4.44 113.70 108.70 1cqg s SER 7 Ca 0.31 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.76 1cqg s SER 7 Cb 0.20 0.43 0.68 0.00 0.10 0.00 0.00 66.02 67.43 1cqg s SER 7 CO 0.33 -0.69 1.89 0.50 0.98 0.00 0.00 173.24 176.25 1cqg h LYS 8 N 2.93 0.39 -0.30 4.02 3.64 -1.92 -1.55 116.57 123.78 1cqg h LYS 8 Ca -0.32 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1cqg h LYS 8 Cb 1.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1cqg h LYS 8 CO 0.44 0.48 0.09 1.15 -2.27 0.00 0.00 179.45 179.33 1cqg h THR 9 N 0.37 0.89 0.00 1.00 2.02 -1.98 0.17 112.91 115.39 1cqg h THR 9 Ca 0.08 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1cqg h THR 9 Cb 0.36 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1cqg h THR 9 CO 0.02 0.04 -0.38 0.00 0.37 0.00 0.00 175.52 175.56 1cqg h ALA 10 N 1.20 1.30 -0.54 6.16 0.00 -1.85 -2.66 119.26 122.88 1cqg h ALA 10 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 10 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1cqg h ALA 10 CO -0.16 0.48 0.36 0.35 0.00 0.00 0.00 179.25 180.28 1cqg h PHE 11 N 0.00 0.68 -0.43 0.00 3.57 -0.00 0.62 116.94 121.37 1cqg h PHE 11 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.70 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1cqg h PHE 11 CO 0.00 0.43 0.06 1.96 -2.23 0.00 0.00 178.31 178.53 1cqg h GLN 12 N 0.73 0.72 -0.45 1.11 1.08 -1.03 -1.14 115.11 116.13 1cqg h GLN 12 Ca 0.20 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1cqg h GLN 12 Cb -0.08 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1cqg h GLN 12 CO -0.04 0.76 0.01 0.93 -0.95 0.00 0.00 178.83 179.54 1cqg h GLU 13 N 0.57 0.72 -0.34 1.46 4.39 -1.06 -1.99 114.58 118.34 1cqg h GLU 13 Ca 0.13 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1cqg h GLU 13 Cb 0.40 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1cqg h GLU 13 CO 0.01 0.73 -0.13 0.00 -1.16 0.00 0.00 179.01 178.46 1cqg h ALA 14 N 1.33 0.47 -0.96 3.43 0.00 0.53 0.63 119.26 124.69 1cqg h ALA 14 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1cqg h ALA 14 CO 0.02 0.36 0.62 -0.07 0.00 0.00 0.00 179.25 180.17 1cqg h LEU 15 N 0.47 1.13 -0.77 0.00 3.38 -0.97 -0.98 115.31 117.58 1cqg h LEU 15 Ca 0.08 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1cqg h LEU 15 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1cqg h LEU 15 CO 0.04 0.84 -0.41 -0.78 0.09 0.00 0.00 178.44 178.22 1cqg h ASP 16 N 1.32 0.47 -0.15 -0.43 1.82 -1.08 -3.04 116.42 115.33 1cqg h ASP 16 Ca 0.35 -0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.67 1cqg h ASP 16 Cb -0.11 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1cqg h ASP 16 CO -0.07 0.83 -0.29 0.00 -1.61 0.00 0.00 179.24 178.10 1cqg h ALA 17 N 1.19 0.93 -0.06 -0.78 0.00 0.10 -2.73 119.26 117.91 1cqg h ALA 17 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1cqg h ALA 17 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cqg h ALA 17 CO 0.07 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 1cqg h ALA 18 N 1.14 1.61 -0.63 0.00 0.00 -1.11 -3.47 119.26 116.80 1cqg h ALA 18 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cqg h ALA 18 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1cqg h ALA 18 CO 0.06 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1cqg n GLY 19 N -0.93 2.82 0.65 0.00 0.00 -1.03 -2.05 105.19 104.64 1cqg n GLY 19 Ca -0.02 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1cqg n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cqg n ASP 20 N 6.90 1.96 -4.79 1.61 8.00 -1.26 -3.39 116.55 125.58 1cqg n ASP 20 Ca 0.00 -1.73 -0.34 0.00 0.71 0.00 0.00 54.79 53.42 1cqg n ASP 20 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1cqg n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cqg s LYS 21 N -1.79 3.84 0.93 -1.24 1.02 -0.87 -4.76 119.74 116.87 1cqg s LYS 21 Ca 0.34 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.61 1cqg s LYS 21 Cb 0.19 -2.15 0.13 0.00 -0.52 0.00 0.00 37.83 35.48 1cqg s LYS 21 CO 0.28 -0.40 1.01 -0.11 -0.92 0.00 0.00 175.35 175.21 1cqg n LEU 22 N -0.85 2.61 -3.65 3.17 0.00 -1.26 -4.59 117.00 112.43 1cqg n LEU 22 Ca 0.09 0.39 -0.13 0.00 0.00 0.00 0.00 56.01 56.36 1cqg n LEU 22 Cb 0.52 -1.43 -0.13 0.00 0.00 0.00 0.00 43.42 42.39 1cqg n LEU 22 CO 0.40 -2.45 -0.12 -0.69 0.00 0.00 0.00 177.39 174.54 1cqg s VAL 23 N -2.59 -0.44 -0.05 1.96 1.01 -0.77 -2.20 120.40 117.31 1cqg s VAL 23 Ca 0.65 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1cqg s VAL 23 Cb -0.23 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1cqg s VAL 23 CO 0.60 0.10 0.01 -0.69 0.00 0.00 0.00 175.10 175.12 1cqg s VAL 24 N 2.44 4.31 -0.15 2.92 1.01 -0.55 -0.42 120.40 129.97 1cqg s VAL 24 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1cqg s VAL 24 Cb -0.12 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1cqg s VAL 24 CO -0.09 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 1cqg s VAL 25 N -0.98 1.56 -0.43 2.92 1.01 0.78 -0.45 120.40 124.81 1cqg s VAL 25 Ca 0.16 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1cqg s VAL 25 Cb -0.11 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1cqg s VAL 25 CO 0.06 0.46 0.38 -0.62 0.00 0.00 0.00 175.10 175.38 1cqg s ASP 26 N 1.47 6.15 -0.62 3.32 2.15 0.04 -1.16 116.67 128.03 1cqg s ASP 26 Ca 0.05 -0.92 -0.21 0.00 0.43 0.00 0.00 52.55 51.89 1cqg s ASP 26 Cb -0.13 -2.19 0.07 0.00 -0.30 0.00 0.00 42.92 40.37 1cqg s ASP 26 CO -0.10 -0.56 0.87 -0.36 -0.17 0.00 0.00 175.17 174.84 1cqg s PHE 27 N 1.88 2.80 0.04 -5.34 0.08 0.88 -0.57 117.98 117.74 1cqg s PHE 27 Ca 0.08 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.57 1cqg s PHE 27 Cb -0.19 -4.14 -0.02 0.00 -0.57 0.00 0.00 43.02 38.09 1cqg s PHE 27 CO 0.11 -1.48 -0.14 -1.12 -0.10 0.00 0.00 175.22 172.48 1cqg s SER 28 N 3.51 1.68 -0.18 1.36 0.01 -0.86 -0.96 113.70 118.25 1cqg s SER 28 Ca 0.20 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.75 1cqg s SER 28 Cb -0.18 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1cqg s SER 28 CO 0.10 0.04 0.85 0.00 0.41 0.00 0.00 173.24 174.64 1cqg s ALA 29 N -0.84 3.54 0.46 1.44 0.00 -1.26 -3.77 121.76 121.33 1cqg s ALA 29 Ca 0.02 0.03 0.16 0.00 0.00 0.00 0.00 51.96 52.17 1cqg s ALA 29 Cb -0.08 -3.26 1.10 0.00 0.00 0.00 0.00 23.12 20.88 1cqg s ALA 29 CO 0.01 -0.71 2.02 0.00 0.00 0.00 0.00 175.76 177.09 1cqg h THR 30 N 5.24 1.04 0.00 0.00 1.03 -1.95 -0.63 112.91 117.63 1cqg h THR 30 Ca -0.28 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 1cqg h THR 30 Cb 1.12 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 1cqg h THR 30 CO 0.85 0.15 0.00 -2.67 -0.01 0.00 0.00 175.52 173.84 1cqg n TRP 31 N -4.26 0.18 -2.98 0.00 4.27 -1.26 -4.69 117.44 108.71 1cqg n TRP 31 Ca -0.02 0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 1cqg n TRP 31 Cb 0.22 -0.59 -0.05 0.00 -1.36 0.00 0.00 31.31 29.53 1cqg n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1cqg h GLY 33 N 9.49 -0.39 2.00 0.00 0.00 -1.84 -2.03 103.07 110.29 1cqg h GLY 33 Ca -0.25 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1cqg h GLY 33 CO 0.88 -0.14 -0.01 -0.56 0.00 0.00 0.00 176.54 176.70 1cqg h PRO 34 N -0.40 0.00 0.02 4.80 0.13 -1.95 -2.00 132.00 132.59 1cqg h PRO 34 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1cqg h PRO 34 Cb 0.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.44 1cqg h PRO 34 CO 0.06 0.01 -0.29 0.00 -0.23 0.00 0.00 178.00 177.55 1cqg h ALA 35 N 1.99 0.01 -0.23 -0.56 0.00 -1.82 -3.23 119.26 115.42 1cqg h ALA 35 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1cqg h ALA 35 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 35 CO 0.00 0.12 0.15 -0.22 0.00 0.00 0.00 179.25 179.30 1cqg h LYS 36 N -0.54 0.30 0.00 0.00 3.64 -1.19 -0.69 116.57 118.09 1cqg h LYS 36 Ca -0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 36 Cb 1.09 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1cqg h LYS 36 CO 0.06 0.20 -0.01 1.98 -2.27 0.00 0.00 179.45 179.41 1cqg h MET 37 N 0.31 0.00 -0.00 1.90 4.05 -1.38 -0.67 114.93 119.13 1cqg h MET 37 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1cqg h MET 37 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1cqg h MET 37 CO -0.02 0.01 -0.05 -0.89 0.23 0.00 0.00 176.91 176.19 1cqg n ILE 38 N -4.48 0.00 0.18 1.77 5.41 -0.27 -4.12 119.36 117.85 1cqg n ILE 38 Ca -0.03 -0.02 0.08 0.00 1.00 0.00 0.00 62.75 63.78 1cqg n ILE 38 Cb 0.09 -0.36 0.59 0.00 -0.71 0.00 0.00 39.64 39.25 1cqg n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1cqg h LYS 39 N 0.16 0.14 -0.95 0.38 2.10 -1.15 -2.98 116.57 114.26 1cqg h LYS 39 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1cqg h LYS 39 Cb 0.32 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.58 1cqg h LYS 39 CO 0.00 0.09 0.63 -1.35 -2.00 0.00 0.00 179.45 176.82 1cqg h PRO 40 N 0.14 1.26 -0.08 0.07 0.11 -1.80 0.62 132.00 132.32 1cqg h PRO 40 Ca 0.06 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1cqg h PRO 40 Cb 0.05 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1cqg h PRO 40 CO -0.01 0.83 -0.09 0.74 -0.21 0.00 0.00 178.00 179.26 1cqg h PHE 41 N 1.29 0.24 0.07 0.65 -1.00 -1.84 1.03 116.94 117.37 1cqg h PHE 41 Ca 0.35 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 1cqg h PHE 41 Cb -0.15 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.37 1cqg h PHE 41 CO -0.00 0.65 -0.03 0.35 -1.61 0.00 0.00 178.31 177.67 1cqg h PHE 42 N -0.25 -0.08 -0.50 -0.55 3.57 -1.47 -0.92 116.94 116.74 1cqg h PHE 42 Ca 0.01 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1cqg h PHE 42 Cb 0.62 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1cqg h PHE 42 CO 0.10 -0.02 -0.17 1.25 -2.23 0.00 0.00 178.31 177.23 1cqg h HIS 43 N -0.12 1.14 -0.73 0.41 2.76 0.23 -3.11 115.15 115.73 1cqg h HIS 43 Ca -0.01 -0.26 -0.05 0.00 -2.20 0.00 0.00 60.37 57.85 1cqg h HIS 43 Cb 0.09 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1cqg h HIS 43 CO -0.06 1.09 0.25 0.77 -1.30 0.00 0.00 177.93 178.67 1cqg h SER 44 N 0.86 1.03 0.01 3.26 0.02 0.13 -2.60 113.55 116.26 1cqg h SER 44 Ca 0.12 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1cqg h SER 44 Cb 0.75 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1cqg h SER 44 CO 0.06 0.94 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.62 1cqg h LEU 45 N 1.07 0.00 -1.25 5.07 3.38 -1.10 -2.09 115.31 120.39 1cqg h LEU 45 Ca 0.24 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.44 1cqg h LEU 45 Cb 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1cqg h LEU 45 CO -0.01 0.00 0.63 0.28 0.09 0.00 0.00 178.44 179.43 1cqg h SER 46 N 0.00 0.56 1.04 -0.43 0.02 -1.49 1.02 113.55 114.27 1cqg h SER 46 Ca -0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1cqg h SER 46 Cb 0.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1cqg h SER 46 CO 0.00 0.15 -0.64 -0.33 -1.14 0.00 0.00 176.83 174.88 1cqg h GLU 47 N 0.52 0.00 0.07 3.45 3.07 -1.55 -2.88 114.58 117.25 1cqg h GLU 47 Ca 0.57 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.18 1cqg h GLU 47 Cb 1.25 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.17 1cqg h GLU 47 CO -0.32 0.00 -1.10 -0.22 -1.40 0.00 0.00 179.01 175.97 1cqg h LYS 48 N 0.00 0.38 -2.16 2.33 3.64 0.92 -3.34 116.57 118.35 1cqg h LYS 48 Ca 0.00 -0.50 -0.59 0.00 -1.27 0.00 0.00 60.65 58.29 1cqg h LYS 48 Cb 0.84 0.17 -0.41 0.00 -0.41 0.00 0.00 32.23 32.41 1cqg h LYS 48 CO 0.00 1.19 -0.71 0.66 -2.27 0.00 0.00 179.45 178.32 1cqg n TYR 49 N -3.67 2.84 0.31 1.91 4.01 0.10 -4.87 117.16 117.79 1cqg n TYR 49 Ca -0.08 -4.03 0.04 0.00 -0.16 0.00 0.00 57.90 53.67 1cqg n TYR 49 Cb 0.93 -0.51 0.19 0.00 -0.31 0.00 0.00 39.34 39.63 1cqg n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cqg n SER 50 N 0.88 0.00 -0.78 7.72 3.41 -1.09 -0.60 113.62 123.16 1cqg n SER 50 Ca 0.28 0.42 0.07 0.00 -0.26 0.00 0.00 58.87 59.38 1cqg n SER 50 Cb 0.44 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.12 1cqg n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1cqg n ASN 51 N -1.45 2.25 -4.18 4.04 5.15 -1.26 -4.77 115.26 115.04 1cqg n ASN 51 Ca 0.02 -2.01 -0.21 0.00 -0.60 0.00 0.00 54.58 51.79 1cqg n ASN 51 Cb 0.09 -0.28 -0.13 0.00 -0.53 0.00 0.00 39.78 38.92 1cqg n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1cqg s VAL 52 N -1.45 1.26 -0.26 3.44 1.01 0.23 -4.47 120.40 120.16 1cqg s VAL 52 Ca 0.28 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1cqg s VAL 52 Cb 0.15 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1cqg s VAL 52 CO 0.19 0.01 0.16 -0.63 0.00 0.00 0.00 175.10 174.83 1cqg s ILE 53 N -0.92 5.17 -0.23 2.22 -1.09 -0.94 -4.81 121.20 120.61 1cqg s ILE 53 Ca 0.03 0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.48 1cqg s ILE 53 Cb -0.08 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1cqg s ILE 53 CO 0.02 0.29 0.11 -0.36 -1.23 0.00 0.00 174.94 173.77 1cqg s PHE 54 N 1.54 3.21 -0.02 3.97 0.40 -1.26 -1.48 117.98 124.34 1cqg s PHE 54 Ca 0.07 -0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 54 Cb -0.15 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1cqg s PHE 54 CO 0.08 -0.06 -0.06 -0.51 0.70 0.00 0.00 175.22 175.37 1cqg s LEU 55 N 1.13 3.23 -0.13 -0.37 1.02 0.40 -2.86 118.68 121.10 1cqg s LEU 55 Ca 0.06 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.13 1cqg s LEU 55 Cb -0.14 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1cqg s LEU 55 CO 0.04 0.31 -0.11 -0.70 0.02 0.00 0.00 176.35 175.91 1cqg s GLU 56 N -1.21 3.42 -0.05 1.70 2.12 -1.02 -0.78 118.70 122.88 1cqg s GLU 56 Ca 0.16 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.88 1cqg s GLU 56 Cb -0.11 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.59 1cqg s GLU 56 CO 0.06 0.24 -0.17 0.08 -0.54 0.00 0.00 175.26 174.92 1cqg s VAL 57 N 0.31 1.45 -0.29 3.70 1.01 0.27 -2.57 120.40 124.29 1cqg s VAL 57 Ca -0.09 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1cqg s VAL 57 Cb -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1cqg s VAL 57 CO 0.05 0.42 0.24 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 58 N 0.14 6.08 0.44 3.32 -1.08 -1.26 -2.03 116.67 122.27 1cqg s ASP 58 Ca -0.06 0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.28 1cqg s ASP 58 Cb -0.13 -2.14 1.28 0.00 -1.46 0.00 0.00 42.92 40.47 1cqg s ASP 58 CO 0.03 -0.10 1.89 -0.37 0.52 0.00 0.00 175.17 177.13 1cqg h VAL 59 N 5.39 0.00 0.10 1.11 -1.51 -1.79 1.74 116.25 121.29 1cqg h VAL 59 Ca -0.34 -0.35 -0.37 0.00 -1.23 0.00 0.00 66.70 64.41 1cqg h VAL 59 Cb 1.18 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.53 1cqg h VAL 59 CO 0.58 0.00 -2.11 0.47 -1.23 0.00 0.00 177.57 175.28 1cqg n ASP 60 N -2.72 2.09 0.00 4.19 9.92 -1.26 -2.48 116.55 126.28 1cqg n ASP 60 Ca 0.01 0.13 0.10 0.00 -0.53 0.00 0.00 54.79 54.50 1cqg n ASP 60 Cb 0.25 -0.75 -0.08 0.00 -0.64 0.00 0.00 41.12 39.90 1cqg n ASP 60 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cqg n ASP 61 N -3.43 0.75 -2.24 -2.24 8.00 -1.17 -4.15 116.55 112.08 1cqg n ASP 61 Ca -0.35 -0.68 -0.14 0.00 0.71 0.00 0.00 54.79 54.34 1cqg n ASP 61 Cb 1.03 1.08 0.04 0.00 -0.02 0.00 0.00 41.12 43.26 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cqg n ALA 62 N -1.67 4.03 0.27 2.24 0.00 0.59 -4.73 120.51 121.25 1cqg n ALA 62 Ca 0.03 -3.37 0.12 0.00 0.00 0.00 0.00 53.44 50.22 1cqg n ALA 62 Cb 0.38 -0.53 0.77 0.00 0.00 0.00 0.00 19.45 20.08 1cqg n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1cqg h GLN 63 N 2.25 0.00 -0.53 0.00 3.07 -1.38 -0.83 115.11 117.69 1cqg h GLN 63 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.81 1cqg h GLN 63 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.97 1cqg h GLN 63 CO 0.51 0.00 -0.01 0.38 0.09 0.00 0.00 178.83 179.80 1cqg h ASP 64 N 0.00 0.87 -0.23 0.06 3.04 -1.88 0.45 116.42 118.74 1cqg h ASP 64 Ca 0.01 -0.23 -0.09 0.00 -3.24 0.00 0.00 57.03 53.47 1cqg h ASP 64 Cb 0.04 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.09 1cqg h ASP 64 CO -0.00 0.94 -0.22 0.58 -2.04 0.00 0.00 179.24 178.50 1cqg h VAL 65 N 0.83 1.32 -0.26 4.15 2.07 -1.50 -2.84 116.25 120.02 1cqg h VAL 65 Ca 0.15 -1.38 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 1cqg h VAL 65 Cb 0.51 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1cqg h VAL 65 CO 0.03 0.43 -0.56 0.00 0.02 0.00 0.00 177.57 177.49 1cqg h ALA 66 N 0.67 0.51 -0.59 1.67 0.00 -1.29 -3.14 119.26 117.08 1cqg h ALA 66 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1cqg h ALA 66 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1cqg h ALA 66 CO 0.06 0.68 0.32 0.66 0.00 0.00 0.00 179.25 180.97 1cqg h SER 67 N 0.62 0.73 -0.61 0.00 4.64 -0.10 -1.09 113.55 117.73 1cqg h SER 67 Ca 0.01 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1cqg h SER 67 Cb 1.15 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1cqg h SER 67 CO 0.12 0.59 0.30 -0.08 -0.87 0.00 0.00 176.83 176.89 1cqg h GLU 68 N 0.82 0.90 -0.01 4.77 4.22 -1.45 -1.96 114.58 121.87 1cqg h GLU 68 Ca 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1cqg h GLU 68 Cb 0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1cqg h GLU 68 CO -0.03 0.70 -0.04 0.00 -2.18 0.00 0.00 179.01 177.46 1cqg n ALA 69 N -2.44 2.66 -3.55 2.92 0.00 -0.61 -4.95 120.51 114.54 1cqg n ALA 69 Ca 0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 1cqg n ALA 69 Cb 0.13 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.43 1cqg n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cqg n GLU 70 N -0.11 -4.76 -2.05 0.00 -0.58 -0.51 -4.86 120.64 107.77 1cqg n GLU 70 Ca 0.18 0.71 -0.42 0.00 -0.42 0.00 0.00 57.16 57.22 1cqg n GLU 70 Cb 0.32 -5.39 -0.03 0.00 -0.57 0.00 0.00 31.44 25.77 1cqg n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1cqg s VAL 71 N -3.52 2.91 -0.72 2.62 1.01 -1.10 -4.87 120.40 116.73 1cqg s VAL 71 Ca 0.10 0.67 0.17 0.00 0.00 0.00 0.00 61.98 62.92 1cqg s VAL 71 Cb -0.02 -3.43 -0.19 0.00 0.00 0.00 0.00 36.38 32.74 1cqg s VAL 71 CO 0.78 0.06 0.68 0.29 0.00 0.00 0.00 175.10 176.92 1cqg n LYS 72 N 3.66 1.33 -3.51 2.72 4.76 -1.26 -5.01 118.16 120.85 1cqg n LYS 72 Ca 0.12 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.40 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cqg s ALA 73 N -2.66 -1.78 0.13 7.82 0.00 -1.26 -5.17 121.76 118.84 1cqg s ALA 73 Ca 0.05 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.21 1cqg s ALA 73 Cb 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1cqg s ALA 73 CO 0.70 -0.51 -0.13 0.95 0.00 0.00 0.00 175.76 176.76 1cqg s THR 74 N -2.13 1.33 0.29 0.00 -4.23 -1.26 -4.12 115.64 105.51 1cqg s THR 74 Ca -0.03 -1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 58.37 1cqg s THR 74 Cb -0.01 -1.63 -0.09 0.00 1.34 0.00 0.00 72.50 72.12 1cqg s THR 74 CO -0.01 -0.50 1.04 -2.16 -0.54 0.00 0.00 174.62 172.46 1cqg s PRO 75 N -2.95 4.64 -0.04 3.99 0.04 -1.26 -4.93 135.00 134.49 1cqg s PRO 75 Ca 0.11 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1cqg s PRO 75 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1cqg s PRO 75 CO 0.03 0.25 -0.14 0.99 0.04 0.00 0.00 177.00 178.17 1cqg s THR 76 N -1.25 1.17 -0.17 1.26 2.01 -0.14 -3.08 115.64 115.45 1cqg s THR 76 Ca 0.45 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1cqg s THR 76 Cb -0.29 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1cqg s THR 76 CO 0.36 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.25 1cqg s PHE 77 N 0.14 3.03 -0.02 4.92 0.08 -0.42 -0.09 117.98 125.63 1cqg s PHE 77 Ca -0.04 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.76 1cqg s PHE 77 Cb -0.11 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1cqg s PHE 77 CO 0.02 -0.07 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.17 1cqg s GLN 78 N 0.49 1.99 -0.12 0.44 -0.21 -0.31 -1.48 119.66 120.46 1cqg s GLN 78 Ca -0.03 -0.88 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1cqg s GLN 78 Cb -0.14 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 1cqg s GLN 78 CO 0.03 0.53 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.65 1cqg s PHE 79 N -0.58 3.10 0.06 0.91 0.40 0.60 -0.15 117.98 122.32 1cqg s PHE 79 Ca 0.09 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1cqg s PHE 79 Cb -0.09 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1cqg s PHE 79 CO -0.01 0.23 -0.18 -0.06 0.70 0.00 0.00 175.22 175.90 1cqg s PHE 80 N -0.27 1.58 -0.11 0.36 0.40 0.44 -2.04 117.98 118.34 1cqg s PHE 80 Ca 0.05 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1cqg s PHE 80 Cb -0.12 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.55 1cqg s PHE 80 CO 0.02 0.11 0.24 0.21 0.70 0.00 0.00 175.22 176.50 1cqg s LYS 81 N -1.45 0.16 -1.73 0.44 2.20 0.15 -1.85 119.74 117.65 1cqg s LYS 81 Ca 0.04 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1cqg s LYS 81 Cb -0.09 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1cqg s LYS 81 CO 0.02 -0.23 0.00 1.63 -0.36 0.00 0.00 175.35 176.42 1cqg n LYS 82 N 4.78 -1.70 -0.97 4.03 5.02 -1.22 0.24 118.16 128.34 1cqg n LYS 82 Ca -0.16 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1cqg n LYS 82 Cb 0.51 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 1cqg n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cqg n GLY 83 N -0.79 0.50 3.44 0.72 0.00 -1.26 -5.03 105.19 102.77 1cqg n GLY 83 Ca -0.21 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1cqg n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cqg s GLN 84 N -0.28 3.15 -0.23 1.61 -1.52 0.14 -5.08 119.66 117.45 1cqg s GLN 84 Ca 0.00 -0.65 -0.28 0.00 -1.95 0.00 0.00 55.36 52.48 1cqg s GLN 84 Cb 0.00 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 1cqg s GLN 84 CO 0.00 0.36 0.98 0.21 -0.25 0.00 0.00 175.29 176.59 1cqg s LYS 85 N -0.03 4.24 -0.04 2.91 2.20 -1.26 0.30 119.74 128.06 1cqg s LYS 85 Ca -0.02 1.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.88 1cqg s LYS 85 Cb -0.14 -3.64 0.08 0.00 -1.51 0.00 0.00 37.83 32.62 1cqg s LYS 85 CO 0.04 -0.60 1.01 1.33 -0.36 0.00 0.00 175.35 176.77 1cqg n VAL 86 N 5.30 1.16 -3.65 4.02 0.24 -0.87 -4.97 118.33 119.56 1cqg n VAL 86 Ca 0.10 -1.26 -0.02 0.00 -2.04 0.00 0.00 64.34 61.12 1cqg n VAL 86 Cb 0.46 0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 1cqg n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cqg s GLY 87 N -1.45 -0.04 -0.13 7.63 0.00 -1.24 -4.97 107.32 107.12 1cqg s GLY 87 Ca 0.09 2.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.93 1cqg s GLY 87 CO 0.01 0.89 0.94 1.85 0.00 0.00 0.00 173.10 176.78 1cqg s GLU 88 N -1.50 0.69 0.06 2.90 2.12 -1.26 -0.29 118.70 121.42 1cqg s GLU 88 Ca 0.11 0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.31 1cqg s GLU 88 Cb -0.01 0.32 0.09 0.00 0.26 0.00 0.00 34.13 34.79 1cqg s GLU 88 CO -0.06 -0.22 0.78 -0.59 -0.54 0.00 0.00 175.26 174.64 1cqg s PHE 89 N -1.24 -0.41 0.23 5.30 -0.12 -0.55 -5.01 117.98 116.18 1cqg s PHE 89 Ca -0.03 0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.17 1cqg s PHE 89 Cb -0.00 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1cqg s PHE 89 CO 0.02 -0.67 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.87 1cqg s SER 90 N -2.59 2.71 0.00 1.98 1.04 -1.26 -1.30 113.70 114.29 1cqg s SER 90 Ca 0.04 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1cqg s SER 90 Cb -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1cqg s SER 90 CO -0.10 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1cqg n GLY 91 N -0.46 3.55 2.80 7.32 0.00 -1.18 -4.88 105.19 112.34 1cqg n GLY 91 Ca -0.07 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1cqg n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cqg n ALA 92 N 0.05 4.83 -3.96 4.61 0.00 -1.26 -4.78 120.51 120.00 1cqg n ALA 92 Ca 0.00 -3.32 -0.32 0.00 0.00 0.00 0.00 53.44 49.80 1cqg n ALA 92 Cb 0.00 -3.47 -0.14 0.00 0.00 0.00 0.00 19.45 15.84 1cqg n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1cqg s ASN 93 N 3.78 4.73 0.26 0.00 3.04 -1.26 -4.97 114.94 120.52 1cqg s ASN 93 Ca 0.53 -2.40 0.04 0.00 0.04 0.00 0.00 52.86 51.06 1cqg s ASN 93 Cb 0.14 -1.66 0.32 0.00 -1.54 0.00 0.00 41.25 38.51 1cqg s ASN 93 CO 0.00 -0.36 1.62 0.07 -3.04 0.00 0.00 177.10 175.39 1cqg h LYS 94 N 7.34 0.32 -0.02 0.43 -0.00 -1.97 -2.82 116.57 119.85 1cqg h LYS 94 Ca -0.06 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.65 60.38 1cqg h LYS 94 Cb 0.99 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.59 0.73 -0.14 0.93 -0.00 0.00 0.00 179.45 181.57 1cqg h GLU 95 N 0.26 0.02 -0.64 0.07 4.39 -2.00 -1.72 114.58 114.97 1cqg h GLU 95 Ca 0.01 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.94 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1cqg h GLU 95 CO 0.08 0.16 0.39 -0.22 -1.16 0.00 0.00 179.01 178.26 1cqg h LYS 96 N 0.02 0.86 -0.82 2.33 3.64 -1.93 -1.32 116.57 119.36 1cqg h LYS 96 Ca 0.00 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 96 Cb 0.26 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1cqg h LYS 96 CO 0.02 0.60 0.54 -0.07 -2.27 0.00 0.00 179.45 178.27 1cqg h LEU 97 N 0.88 0.89 -0.63 5.20 3.38 -1.39 -2.23 115.31 121.41 1cqg h LEU 97 Ca 0.23 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1cqg h LEU 97 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1cqg h LEU 97 CO -0.04 0.62 0.27 -0.08 0.09 0.00 0.00 178.44 179.30 1cqg h GLU 98 N 1.04 0.93 -0.21 1.13 4.22 -1.27 -2.37 114.58 118.05 1cqg h GLU 98 Ca 0.32 -0.16 -0.12 0.00 0.08 0.00 0.00 59.36 59.49 1cqg h GLU 98 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1cqg h GLU 98 CO -0.09 0.77 -0.33 0.00 -2.18 0.00 0.00 179.01 177.18 1cqg h ALA 99 N 1.11 0.32 -0.71 2.92 0.00 -1.32 -2.76 119.26 118.82 1cqg h ALA 99 Ca 0.21 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1cqg h ALA 99 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1cqg h ALA 99 CO -0.02 0.37 0.17 1.15 0.00 0.00 0.00 179.25 180.91 1cqg h THR 100 N 0.27 1.26 -0.10 0.00 2.02 -1.39 0.90 112.91 115.87 1cqg h THR 100 Ca 0.02 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1cqg h THR 100 Cb 0.92 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1cqg h THR 100 CO 0.08 0.38 0.06 0.40 0.37 0.00 0.00 175.52 176.81 1cqg h ILE 101 N 1.08 1.07 -0.39 3.11 2.04 -1.46 0.84 117.51 123.80 1cqg h ILE 101 Ca 0.22 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1cqg h ILE 101 Cb 0.38 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1cqg h ILE 101 CO 0.00 0.06 0.22 -1.13 0.00 0.00 0.00 178.15 177.31 1cqg h ASN 102 N 0.09 0.46 -0.44 1.72 -0.73 -1.25 1.04 115.58 116.47 1cqg h ASN 102 Ca 0.04 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.06 1cqg h ASN 102 Cb 0.05 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1cqg h ASN 102 CO -0.01 0.37 -0.21 -0.08 -0.37 0.00 0.00 177.43 177.14 1cqg h GLU 103 N 0.54 0.95 -0.02 6.67 4.81 0.43 -3.17 114.58 124.79 1cqg h GLU 103 Ca 0.14 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1cqg h GLU 103 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1cqg h GLU 103 CO -0.02 1.06 -0.36 1.28 -0.73 0.00 0.00 179.01 180.23 1cqg n LEU 104 N -4.11 2.23 0.00 1.64 4.77 0.17 -5.08 117.00 116.61 1cqg n LEU 104 Ca 0.00 -0.81 0.04 0.00 -0.03 0.00 0.00 56.01 55.21 1cqg n LEU 104 Cb 0.45 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 1cqg n LEU 104 CO 0.46 0.40 0.48 0.55 -1.33 0.00 0.00 177.39 177.96