#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 5.39 -0.06 2.03 1.01 -1.26 -3.88 120.40 123.63 1cqg s VAL 2 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1cqg s VAL 2 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1cqg s VAL 2 CO 0.00 0.45 -0.10 -0.75 0.00 0.00 0.00 175.10 174.70 1cqg s LYS 3 N -1.53 1.42 -0.23 2.72 2.47 -1.14 -5.05 119.74 118.40 1cqg s LYS 3 Ca 0.23 -0.31 -0.12 0.00 -1.56 0.00 0.00 55.97 54.21 1cqg s LYS 3 Cb -0.13 -1.22 -0.05 0.00 -1.46 0.00 0.00 37.83 34.98 1cqg s LYS 3 CO 0.13 -0.01 0.24 -1.14 0.16 0.00 0.00 175.35 174.73 1cqg s GLN 4 N 0.75 4.09 -0.35 4.03 0.74 -1.26 -2.13 119.66 125.52 1cqg s GLN 4 Ca -0.13 -0.12 -0.13 0.00 0.05 0.00 0.00 55.36 55.03 1cqg s GLN 4 Cb -0.15 -3.55 -0.00 0.00 1.10 0.00 0.00 33.01 30.40 1cqg s GLN 4 CO 0.03 -0.00 0.24 0.42 -0.55 0.00 0.00 175.29 175.42 1cqg s ILE 5 N 1.23 5.13 -2.85 -2.34 -1.09 -1.05 -4.91 121.20 115.32 1cqg s ILE 5 Ca 0.11 -0.39 0.24 0.00 -2.23 0.00 0.00 60.65 58.39 1cqg s ILE 5 Cb -0.14 -3.70 0.23 0.00 -1.58 0.00 0.00 42.46 37.27 1cqg s ILE 5 CO 0.06 -0.08 1.32 -0.62 -1.23 0.00 0.00 174.94 174.39 1cqg n GLU 6 N 5.09 2.14 -3.63 2.79 -0.58 -1.26 -4.42 120.64 120.78 1cqg n GLU 6 Ca -0.12 -1.71 -0.13 0.00 -0.42 0.00 0.00 57.16 54.78 1cqg n GLU 6 Cb 0.49 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 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 -0.33 0.44 1.62 1.04 -1.26 -4.46 113.70 108.71 1cqg s SER 7 Ca 0.29 -0.00 0.13 0.00 0.48 0.00 0.00 55.95 56.84 1cqg s SER 7 Cb 0.20 0.46 0.99 0.00 0.10 0.00 0.00 66.02 67.77 1cqg s SER 7 CO 0.33 -0.72 2.01 0.50 0.98 0.00 0.00 173.24 176.34 1cqg h LYS 8 N 2.82 0.11 -0.17 4.02 3.64 -1.92 -1.58 116.57 123.49 1cqg h LYS 8 Ca -0.32 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1cqg h LYS 8 Cb 1.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1cqg h LYS 8 CO 0.43 0.21 0.08 1.15 -2.27 0.00 0.00 179.45 179.05 1cqg h THR 9 N 0.11 0.98 0.00 1.00 2.02 -1.97 -0.76 112.91 114.29 1cqg h THR 9 Ca 0.03 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1cqg h THR 9 Cb 0.23 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1cqg h THR 9 CO 0.01 0.03 -0.36 0.00 0.37 0.00 0.00 175.52 175.58 1cqg h ALA 10 N 1.09 1.29 -0.62 6.16 0.00 -1.82 -2.54 119.26 122.81 1cqg h ALA 10 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1cqg h ALA 10 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1cqg h ALA 10 CO -0.06 0.45 0.41 0.35 0.00 0.00 0.00 179.25 180.40 1cqg h PHE 11 N 0.00 0.78 -0.45 0.00 3.57 -0.21 0.33 116.94 120.96 1cqg h PHE 11 Ca -0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1cqg h PHE 11 Cb 0.68 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1cqg h PHE 11 CO 0.00 0.49 -0.06 1.96 -2.23 0.00 0.00 178.31 178.47 1cqg h GLN 12 N 0.84 0.83 -0.50 1.11 1.08 -1.01 -1.88 115.11 115.58 1cqg h GLN 12 Ca 0.23 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1cqg h GLN 12 Cb -0.09 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1cqg h GLN 12 CO -0.05 0.92 0.04 0.93 -0.95 0.00 0.00 178.83 179.71 1cqg h GLU 13 N 0.67 0.82 -0.36 1.46 4.39 -0.99 -1.76 114.58 118.81 1cqg h GLU 13 Ca 0.12 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1cqg h GLU 13 Cb 0.58 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1cqg h GLU 13 CO 0.03 0.79 -0.12 0.00 -1.16 0.00 0.00 179.01 178.56 1cqg h ALA 14 N 1.27 0.50 -0.93 3.43 0.00 -0.16 -0.38 119.26 122.99 1cqg h ALA 14 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1cqg h ALA 14 CO 0.01 0.38 0.55 -0.07 0.00 0.00 0.00 179.25 180.12 1cqg h LEU 15 N 0.50 1.13 -0.70 0.00 3.38 -1.08 -1.30 115.31 117.24 1cqg h LEU 15 Ca 0.09 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1cqg h LEU 15 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1cqg h LEU 15 CO 0.04 0.87 -0.42 -0.78 0.09 0.00 0.00 178.44 178.24 1cqg h ASP 16 N 1.29 0.53 -0.15 -0.43 1.82 -1.09 -3.13 116.42 115.27 1cqg h ASP 16 Ca 0.33 -0.24 -0.15 0.00 -0.39 0.00 0.00 57.03 56.58 1cqg h ASP 16 Cb -0.04 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1cqg h ASP 16 CO -0.06 0.89 -0.44 0.00 -1.61 0.00 0.00 179.24 178.03 1cqg h ALA 17 N 1.13 0.71 -0.18 -0.78 0.00 -0.36 -3.00 119.26 116.77 1cqg h ALA 17 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1cqg h ALA 17 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1cqg h ALA 17 CO 0.08 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1cqg h ALA 18 N 0.94 1.67 -0.61 0.00 0.00 -1.21 -3.47 119.26 116.59 1cqg h ALA 18 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cqg h ALA 18 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cqg h ALA 18 CO 0.09 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1cqg n GLY 19 N -1.18 3.03 0.55 0.00 0.00 -1.14 -2.20 105.19 104.26 1cqg n GLY 19 Ca -0.00 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 7.64 1.70 -4.80 1.61 8.00 -1.26 -2.93 116.55 126.51 1cqg n ASP 20 Ca 0.00 -1.62 -0.34 0.00 0.71 0.00 0.00 54.79 53.54 1cqg n ASP 20 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.91 3.86 0.75 -1.24 1.02 -0.93 -4.73 119.74 116.56 1cqg s LYS 21 Ca 0.35 1.32 -0.15 0.00 0.02 0.00 0.00 55.97 57.52 1cqg s LYS 21 Cb 0.20 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 1cqg s LYS 21 CO 0.31 -0.38 1.22 -1.17 -0.92 0.00 0.00 175.35 174.41 1cqg s LEU 22 N -3.46 3.28 -0.14 3.17 0.20 -1.26 -4.56 118.68 115.91 1cqg s LEU 22 Ca 0.66 2.42 -0.04 0.00 0.69 0.00 0.00 54.13 57.86 1cqg s LEU 22 Cb -0.15 -4.59 0.07 0.00 -0.43 0.00 0.00 46.19 41.08 1cqg s LEU 22 CO 0.19 -2.42 0.19 -0.69 -0.29 0.00 0.00 176.35 173.34 1cqg s VAL 23 N -1.95 -0.30 -0.05 1.68 1.01 -0.83 -2.22 120.40 117.75 1cqg s VAL 23 Ca 0.75 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1cqg s VAL 23 Cb -0.31 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1cqg s VAL 23 CO 0.47 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1cqg s VAL 24 N 2.32 4.62 -0.12 2.92 1.01 -0.84 -0.49 120.40 129.83 1cqg s VAL 24 Ca 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1cqg s VAL 24 Cb -0.13 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1cqg s VAL 24 CO -0.09 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 1cqg s VAL 25 N -1.05 1.49 -0.28 2.92 1.01 0.42 -0.29 120.40 124.63 1cqg s VAL 25 Ca 0.18 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1cqg s VAL 25 Cb -0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1cqg s VAL 25 CO 0.08 0.44 0.18 -0.62 0.00 0.00 0.00 175.10 175.18 1cqg s ASP 26 N 1.21 5.93 -0.31 3.32 2.15 -0.03 -1.27 116.67 127.67 1cqg s ASP 26 Ca -0.02 -0.03 0.07 0.00 0.43 0.00 0.00 52.55 53.01 1cqg s ASP 26 Cb -0.14 -2.10 0.64 0.00 -0.30 0.00 0.00 42.92 41.02 1cqg s ASP 26 CO -0.05 -0.05 1.70 0.49 -0.17 0.00 0.00 175.17 177.10 1cqg n PHE 27 N 5.04 2.29 -1.74 -5.34 3.72 -0.13 0.60 117.46 121.91 1cqg n PHE 27 Ca -0.14 -1.21 -0.38 0.00 -0.05 0.00 0.00 57.45 55.66 1cqg n PHE 27 Cb 0.52 -0.68 0.05 0.00 -0.94 0.00 0.00 39.48 38.42 1cqg n PHE 27 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1cqg n SER 28 N -0.28 2.55 -4.69 4.37 7.64 -1.23 -4.33 113.62 117.64 1cqg n SER 28 Ca 0.40 0.96 -0.41 0.00 1.01 0.00 0.00 58.87 60.82 1cqg n SER 28 Cb 1.33 -1.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1cqg n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cqg s ALA 29 N -1.30 3.38 0.26 -0.43 0.00 -1.26 -4.16 121.76 118.24 1cqg s ALA 29 Ca 0.72 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1cqg s ALA 29 Cb -0.42 -3.23 0.35 0.00 0.00 0.00 0.00 23.12 19.82 1cqg s ALA 29 CO 0.48 -0.42 1.68 0.00 0.00 0.00 0.00 175.76 177.50 1cqg h THR 30 N 4.99 1.28 0.00 0.00 1.03 -1.91 -2.30 112.91 115.99 1cqg h THR 30 Ca -0.35 -1.38 -0.02 0.00 -0.01 0.00 0.00 66.41 64.65 1cqg h THR 30 Cb 1.17 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1cqg h THR 30 CO 0.80 0.43 -0.12 4.11 -0.01 0.00 0.00 175.52 180.74 1cqg h TRP 31 N 0.43 0.00 -3.27 0.00 5.08 -2.03 -3.40 115.95 112.76 1cqg h TRP 31 Ca 0.05 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.43 1cqg h TRP 31 Cb 0.75 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.80 1cqg h TRP 31 CO 0.03 0.12 0.64 0.00 -1.28 0.00 0.00 178.44 177.94 1cqg h GLY 33 N 11.06 0.49 0.33 0.00 0.00 -1.82 -1.10 103.07 112.03 1cqg h GLY 33 Ca -0.26 -0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.12 1cqg h GLY 33 CO 1.09 0.12 0.59 -2.55 0.00 0.00 0.00 176.54 175.80 1cqg h PRO 34 N 0.41 0.51 0.01 4.80 0.11 -1.93 0.26 132.00 136.17 1cqg h PRO 34 Ca 0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1cqg h PRO 34 Cb 0.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1cqg h PRO 34 CO -0.08 0.34 -0.08 0.00 -0.21 0.00 0.00 178.00 177.97 1cqg h ALA 35 N 1.61 -0.00 -0.17 -0.75 0.00 -1.69 -3.27 119.26 115.00 1cqg h ALA 35 Ca 0.48 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cqg h ALA 35 Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cqg h ALA 35 CO -0.21 -0.00 0.11 -0.22 0.00 0.00 0.00 179.25 178.92 1cqg h LYS 36 N -0.84 0.21 -0.01 0.00 3.64 -0.67 -0.58 116.57 118.32 1cqg h LYS 36 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 36 Cb 0.97 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1cqg h LYS 36 CO 0.01 0.14 0.01 1.98 -2.27 0.00 0.00 179.45 179.32 1cqg h MET 37 N 0.21 0.00 -0.00 1.90 4.05 -0.54 -0.60 114.93 119.95 1cqg h MET 37 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1cqg h MET 37 Cb -0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1cqg h MET 37 CO -0.01 0.00 -0.06 -0.89 0.23 0.00 0.00 176.91 176.17 1cqg n ILE 38 N -4.51 0.00 0.26 1.77 5.41 -0.23 -4.10 119.36 117.96 1cqg n ILE 38 Ca -0.03 -0.01 0.09 0.00 1.00 0.00 0.00 62.75 63.81 1cqg n ILE 38 Cb 0.10 -0.38 0.67 0.00 -0.71 0.00 0.00 39.64 39.32 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 0.07 0.00 -0.84 0.38 2.10 -1.12 -3.09 116.57 114.07 1cqg h LYS 39 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1cqg h LYS 39 Cb 0.42 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.70 1cqg h LYS 39 CO 0.00 0.07 0.55 -1.35 -2.00 0.00 0.00 179.45 176.72 1cqg h PRO 40 N 0.00 0.92 -0.11 0.07 0.11 -1.78 0.81 132.00 132.01 1cqg h PRO 40 Ca -0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1cqg h PRO 40 Cb 0.14 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1cqg h PRO 40 CO 0.01 0.61 -0.06 0.74 -0.21 0.00 0.00 178.00 179.09 1cqg h PHE 41 N 0.95 0.26 0.21 0.65 -1.00 -1.86 0.94 116.94 117.09 1cqg h PHE 41 Ca 0.36 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 1cqg h PHE 41 Cb 0.20 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1cqg h PHE 41 CO -0.00 0.59 -0.10 0.35 -1.61 0.00 0.00 178.31 177.54 1cqg h PHE 42 N -0.14 -0.27 -0.48 -0.55 3.57 -1.46 -0.61 116.94 117.01 1cqg h PHE 42 Ca 0.02 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1cqg h PHE 42 Cb 0.52 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1cqg h PHE 42 CO 0.07 -0.15 -0.21 1.25 -2.23 0.00 0.00 178.31 177.04 1cqg h HIS 43 N -0.30 1.13 -0.75 0.41 2.76 0.62 -3.10 115.15 115.91 1cqg h HIS 43 Ca -0.03 -0.27 -0.04 0.00 -2.20 0.00 0.00 60.37 57.83 1cqg h HIS 43 Cb 0.23 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1cqg h HIS 43 CO -0.06 1.10 0.32 0.77 -1.30 0.00 0.00 177.93 178.76 1cqg h SER 44 N 0.83 1.01 0.26 3.26 0.02 0.11 -2.46 113.55 116.58 1cqg h SER 44 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1cqg h SER 44 Cb 0.79 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1cqg h SER 44 CO 0.07 0.89 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.51 1cqg h LEU 45 N 1.09 0.00 -1.33 5.07 3.38 -1.03 -2.47 115.31 120.03 1cqg h LEU 45 Ca 0.26 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.39 1cqg h LEU 45 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1cqg h LEU 45 CO -0.02 0.06 0.58 0.28 0.09 0.00 0.00 178.44 179.43 1cqg h SER 46 N 0.00 0.60 0.89 -0.43 0.02 -1.45 0.66 113.55 113.85 1cqg h SER 46 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1cqg h SER 46 Cb 0.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1cqg h SER 46 CO 0.01 0.28 -0.51 -0.62 -1.14 0.00 0.00 176.83 174.85 1cqg n GLU 47 N -4.57 0.24 0.12 3.45 4.71 -0.93 -2.63 120.64 121.03 1cqg n GLU 47 Ca 0.18 0.09 -0.21 0.00 -0.01 0.00 0.00 57.16 57.21 1cqg n GLU 47 Cb 0.53 -1.67 -0.14 0.00 -1.01 0.00 0.00 31.44 29.16 1cqg n GLU 47 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1cqg h LYS 48 N 0.00 0.47 -2.19 3.49 3.64 0.21 -3.35 116.57 118.84 1cqg h LYS 48 Ca 0.00 -0.73 -0.59 0.00 -1.27 0.00 0.00 60.65 58.05 1cqg h LYS 48 Cb 0.70 0.26 -0.42 0.00 -0.41 0.00 0.00 32.23 32.37 1cqg h LYS 48 CO 0.00 1.34 -0.64 0.66 -2.27 0.00 0.00 179.45 178.54 1cqg n TYR 49 N -3.68 3.39 0.20 1.91 4.01 0.51 -4.86 117.16 118.64 1cqg n TYR 49 Ca -0.13 -4.09 0.03 0.00 -0.16 0.00 0.00 57.90 53.55 1cqg n TYR 49 Cb 1.04 -0.53 0.12 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.70 0.00 -0.57 7.72 3.41 -1.08 0.02 113.62 123.82 1cqg n SER 50 Ca 0.29 0.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1cqg n SER 50 Cb 0.42 -0.45 0.27 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.68 -4.19 4.04 5.15 -1.26 -4.61 115.26 114.61 1cqg n ASN 51 Ca 0.02 -1.85 -0.23 0.00 -0.60 0.00 0.00 54.58 51.92 1cqg n ASN 51 Cb 0.06 -0.16 -0.14 0.00 -0.53 0.00 0.00 39.78 39.01 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 -1.68 1.37 -0.27 3.44 1.01 0.10 -4.50 120.40 119.87 1cqg s VAL 52 Ca 0.27 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1cqg s VAL 52 Cb 0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1cqg s VAL 52 CO 0.21 0.13 0.18 -0.63 0.00 0.00 0.00 175.10 174.98 1cqg s ILE 53 N -0.78 5.32 -0.23 2.22 -1.09 -0.94 -4.55 121.20 121.14 1cqg s ILE 53 Ca 0.05 0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 1cqg s ILE 53 Cb -0.08 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1cqg s ILE 53 CO 0.01 0.27 0.12 -0.36 -1.23 0.00 0.00 174.94 173.75 1cqg s PHE 54 N 1.61 3.26 -0.06 3.97 0.40 -1.25 -1.98 117.98 123.93 1cqg s PHE 54 Ca 0.07 0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1cqg s PHE 54 Cb -0.15 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 1cqg s PHE 54 CO 0.10 0.02 -0.03 -0.51 0.70 0.00 0.00 175.22 175.50 1cqg s LEU 55 N 0.96 3.39 -0.14 -0.37 1.02 0.60 -2.87 118.68 121.28 1cqg s LEU 55 Ca 0.06 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 1cqg s LEU 55 Cb -0.13 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1cqg s LEU 55 CO 0.03 0.35 -0.04 -0.70 0.02 0.00 0.00 176.35 176.02 1cqg s GLU 56 N -0.98 3.51 -0.04 1.70 2.12 -0.90 -0.85 118.70 123.26 1cqg s GLU 56 Ca 0.14 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.99 1cqg s GLU 56 Cb -0.11 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.42 1cqg s GLU 56 CO 0.03 0.34 -0.10 0.08 -0.54 0.00 0.00 175.26 175.07 1cqg s VAL 57 N 0.10 0.93 -0.29 3.70 1.01 0.20 -2.53 120.40 123.53 1cqg s VAL 57 Ca -0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1cqg s VAL 57 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1cqg s VAL 57 CO 0.03 0.29 0.37 -0.62 0.00 0.00 0.00 175.10 175.17 1cqg s ASP 58 N 0.37 6.23 0.39 3.32 -1.08 -1.26 -3.58 116.67 121.07 1cqg s ASP 58 Ca -0.07 0.18 0.28 0.00 -0.52 0.00 0.00 52.55 52.42 1cqg s ASP 58 Cb -0.11 -2.21 1.24 0.00 -1.46 0.00 0.00 42.92 40.38 1cqg s ASP 58 CO 0.01 -0.22 1.85 -0.37 0.52 0.00 0.00 175.17 176.96 1cqg h VAL 59 N 5.42 0.00 0.07 1.11 -1.51 -1.75 1.05 116.25 120.64 1cqg h VAL 59 Ca -0.31 -0.28 -0.38 0.00 -1.23 0.00 0.00 66.70 64.50 1cqg h VAL 59 Cb 1.16 1.09 -0.04 0.00 -2.13 0.00 0.00 31.29 31.37 1cqg h VAL 59 CO 0.65 0.00 -2.22 0.47 -1.23 0.00 0.00 177.57 175.25 1cqg n ASP 60 N -2.58 2.06 0.01 4.19 9.92 -1.26 -2.84 116.55 126.04 1cqg n ASP 60 Ca 0.01 0.05 0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1cqg n ASP 60 Cb 0.22 -0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 39.94 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 -3.40 0.50 -1.96 -2.24 8.00 -1.18 -4.16 116.55 112.11 1cqg n ASP 61 Ca -0.39 -0.35 -0.16 0.00 0.71 0.00 0.00 54.79 54.61 1cqg n ASP 61 Cb 1.02 1.32 0.05 0.00 -0.02 0.00 0.00 41.12 43.48 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 -1.91 4.37 0.27 2.24 0.00 0.36 -4.77 120.51 121.08 1cqg n ALA 62 Ca 0.00 -3.52 0.12 0.00 0.00 0.00 0.00 53.44 50.04 1cqg n ALA 62 Cb 0.46 -0.43 0.77 0.00 0.00 0.00 0.00 19.45 20.25 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 2.07 0.00 -0.45 0.00 3.07 -1.41 -0.89 115.11 117.50 1cqg h GLN 63 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.91 1cqg h GLN 63 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.98 1cqg h GLN 63 CO 0.55 0.00 0.06 0.38 0.09 0.00 0.00 178.83 179.91 1cqg h ASP 64 N 0.00 0.66 -0.16 0.06 3.04 -1.87 0.52 116.42 118.67 1cqg h ASP 64 Ca 0.00 -0.13 -0.12 0.00 -3.24 0.00 0.00 57.03 53.55 1cqg h ASP 64 Cb 0.02 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.14 1cqg h ASP 64 CO -0.00 0.69 -0.36 0.58 -2.04 0.00 0.00 179.24 178.11 1cqg h VAL 65 N 0.67 1.35 -0.24 4.15 2.07 -1.50 -2.86 116.25 119.90 1cqg h VAL 65 Ca 0.14 -1.62 -0.20 0.00 0.82 0.00 0.00 66.70 65.85 1cqg h VAL 65 Cb 0.33 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1cqg h VAL 65 CO 0.01 0.49 -0.62 0.00 0.02 0.00 0.00 177.57 177.46 1cqg h ALA 66 N 0.56 0.43 -0.05 1.67 0.00 -1.23 -2.99 119.26 117.65 1cqg h ALA 66 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1cqg h ALA 66 Cb 0.96 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cqg h ALA 66 CO 0.08 0.68 0.03 0.66 0.00 0.00 0.00 179.25 180.70 1cqg h SER 67 N 0.62 0.05 -0.97 0.00 4.64 -0.01 -0.17 113.55 117.71 1cqg h SER 67 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1cqg h SER 67 Cb 1.24 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1cqg h SER 67 CO 0.13 0.04 0.61 -0.08 -0.87 0.00 0.00 176.83 176.67 1cqg h GLU 68 N 0.06 1.30 -0.06 4.77 4.81 -1.34 -1.59 114.58 122.53 1cqg h GLU 68 Ca 0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1cqg h GLU 68 Cb 0.00 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1cqg h GLU 68 CO -0.00 0.89 0.00 0.00 -0.73 0.00 0.00 179.01 179.17 1cqg n ALA 69 N -2.39 2.55 -3.62 2.92 0.00 -0.21 -4.94 120.51 114.81 1cqg n ALA 69 Ca 0.11 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 1cqg n ALA 69 Cb 0.04 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 0.38 -5.43 -1.86 0.00 -0.58 -0.40 -4.84 120.64 107.91 1cqg n GLU 70 Ca 0.18 0.69 -0.42 0.00 -0.42 0.00 0.00 57.16 57.19 1cqg n GLU 70 Cb 0.39 -5.39 -0.03 0.00 -0.57 0.00 0.00 31.44 25.84 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 -3.58 2.40 -0.83 2.62 1.01 -1.11 -4.86 120.40 116.04 1cqg s VAL 71 Ca 0.00 0.29 0.19 0.00 0.00 0.00 0.00 61.98 62.46 1cqg s VAL 71 Cb -0.00 -3.18 -0.21 0.00 0.00 0.00 0.00 36.38 32.98 1cqg s VAL 71 CO 0.79 0.02 0.78 0.29 0.00 0.00 0.00 175.10 176.98 1cqg n LYS 72 N 3.80 0.76 -3.49 2.72 4.76 -1.26 -4.99 118.16 120.46 1cqg n LYS 72 Ca 0.14 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 1cqg n LYS 72 Cb 0.37 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 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 -2.81 -1.76 0.15 7.82 0.00 -1.26 -5.17 121.76 118.73 1cqg s ALA 73 Ca 0.06 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1cqg s ALA 73 Cb 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1cqg s ALA 73 CO 0.78 -0.58 -0.16 0.95 0.00 0.00 0.00 175.76 176.74 1cqg s THR 74 N -2.55 1.63 0.26 0.00 -4.23 -1.26 -4.05 115.64 105.44 1cqg s THR 74 Ca -0.01 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 1cqg s THR 74 Cb -0.01 -1.76 -0.09 0.00 1.34 0.00 0.00 72.50 71.98 1cqg s THR 74 CO -0.04 -0.39 1.03 -2.16 -0.54 0.00 0.00 174.62 172.52 1cqg s PRO 75 N -2.87 4.73 -0.06 3.99 0.04 -1.26 -4.87 135.00 134.69 1cqg s PRO 75 Ca 0.14 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1cqg s PRO 75 Cb -0.05 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1cqg s PRO 75 CO 0.05 0.34 -0.18 0.99 0.04 0.00 0.00 177.00 178.25 1cqg s THR 76 N -1.18 1.52 -0.14 1.26 2.01 -1.26 -2.67 115.64 115.18 1cqg s THR 76 Ca 0.43 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1cqg s THR 76 Cb -0.29 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1cqg s THR 76 CO 0.37 0.44 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.31 1cqg s PHE 77 N 0.28 2.96 -0.02 4.92 0.08 -0.43 -0.95 117.98 124.82 1cqg s PHE 77 Ca -0.10 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.67 1cqg s PHE 77 Cb -0.14 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1cqg s PHE 77 CO 0.04 -0.03 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.27 1cqg s GLN 78 N 0.19 1.87 -0.12 0.44 -0.21 -0.40 -1.80 119.66 119.63 1cqg s GLN 78 Ca -0.04 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.51 1cqg s GLN 78 Cb -0.14 -1.77 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1cqg s GLN 78 CO 0.03 0.45 0.04 -0.06 -2.12 0.00 0.00 175.29 173.63 1cqg s PHE 79 N -0.44 3.24 0.05 0.91 0.40 0.23 -0.44 117.98 121.94 1cqg s PHE 79 Ca 0.06 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.61 1cqg s PHE 79 Cb -0.09 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1cqg s PHE 79 CO -0.00 0.38 -0.16 -0.06 0.70 0.00 0.00 175.22 176.08 1cqg s PHE 80 N -0.44 1.35 -0.11 0.36 0.40 0.36 -2.00 117.98 117.90 1cqg s PHE 80 Ca 0.09 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1cqg s PHE 80 Cb -0.12 -0.78 0.06 0.00 0.51 0.00 0.00 43.02 42.68 1cqg s PHE 80 CO 0.02 0.06 0.23 0.21 0.70 0.00 0.00 175.22 176.45 1cqg s LYS 81 N -1.35 0.13 -1.48 0.44 2.20 0.17 -1.96 119.74 117.90 1cqg s LYS 81 Ca 0.02 0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 56.22 1cqg s LYS 81 Cb -0.09 -0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.15 1cqg s LYS 81 CO 0.02 -0.26 0.49 1.63 -0.36 0.00 0.00 175.35 176.87 1cqg n LYS 82 N 5.05 -4.10 -1.22 4.03 5.02 -1.15 -0.15 118.16 125.63 1cqg n LYS 82 Ca -0.11 0.79 -0.06 0.00 -2.02 0.00 0.00 58.31 56.91 1cqg n LYS 82 Cb 0.50 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 29.90 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 -1.35 0.82 3.15 0.72 0.00 -1.26 -5.02 105.19 102.25 1cqg n GLY 83 Ca -0.10 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.59 2.28 -0.13 1.61 -1.52 0.79 -5.11 119.66 114.99 1cqg s GLN 84 Ca 0.00 -0.68 -0.29 0.00 -1.95 0.00 0.00 55.36 52.43 1cqg s GLN 84 Cb 0.00 -1.84 -0.01 0.00 -0.22 0.00 0.00 33.01 30.94 1cqg s GLN 84 CO 0.00 0.18 1.06 0.21 -0.25 0.00 0.00 175.29 176.49 1cqg s LYS 85 N 0.28 4.37 0.00 2.91 2.20 -1.26 0.46 119.74 128.70 1cqg s LYS 85 Ca -0.12 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1cqg s LYS 85 Cb -0.15 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1cqg s LYS 85 CO 0.05 -0.42 0.87 1.33 -0.36 0.00 0.00 175.35 176.82 1cqg n VAL 86 N 4.76 0.75 -3.65 4.02 0.24 -0.84 -4.96 118.33 118.65 1cqg n VAL 86 Ca 0.10 -0.78 -0.02 0.00 -2.04 0.00 0.00 64.34 61.60 1cqg n VAL 86 Cb 0.48 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 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 -0.75 -0.05 -0.15 7.63 0.00 -1.24 -4.97 107.32 107.78 1cqg s GLY 87 Ca 0.00 2.39 -0.30 0.00 0.00 0.00 0.00 44.72 46.81 1cqg s GLY 87 CO 0.00 0.86 0.93 1.85 0.00 0.00 0.00 173.10 176.74 1cqg s GLU 88 N -1.55 0.68 0.06 2.90 -6.30 -1.26 -0.60 118.70 112.63 1cqg s GLU 88 Ca 0.11 0.23 -0.26 0.00 -2.50 0.00 0.00 54.97 52.55 1cqg s GLU 88 Cb -0.01 0.32 0.09 0.00 0.00 0.00 0.00 34.13 34.53 1cqg s GLU 88 CO -0.05 -0.20 0.76 -0.59 0.02 0.00 0.00 175.26 175.20 1cqg s PHE 89 N -0.95 -0.44 0.24 5.30 -0.12 -0.75 -5.01 117.98 116.26 1cqg s PHE 89 Ca -0.03 0.30 0.07 0.00 -0.05 0.00 0.00 56.93 57.22 1cqg s PHE 89 Cb -0.01 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 1cqg s PHE 89 CO 0.02 -0.67 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.87 1cqg s SER 90 N -2.53 2.72 0.00 1.98 1.04 -1.26 -1.31 113.70 114.33 1cqg s SER 90 Ca 0.03 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.35 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 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1cqg n GLY 91 N -0.49 3.70 2.60 7.32 0.00 -1.09 -4.89 105.19 112.33 1cqg n GLY 91 Ca -0.07 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.21 5.75 -3.99 4.61 0.00 -1.26 -4.79 120.51 120.63 1cqg n ALA 92 Ca 0.00 -3.15 -0.32 0.00 0.00 0.00 0.00 53.44 49.97 1cqg n ALA 92 Cb 0.00 -3.35 -0.15 0.00 0.00 0.00 0.00 19.45 15.96 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 3.13 4.83 0.30 0.00 3.84 -1.26 -4.97 114.94 120.81 1cqg s ASN 93 Ca 0.55 -2.15 0.08 0.00 0.21 0.00 0.00 52.86 51.55 1cqg s ASN 93 Cb 0.14 -1.66 0.46 0.00 -0.55 0.00 0.00 41.25 39.65 1cqg s ASN 93 CO -0.03 -0.40 1.69 0.07 -2.79 0.00 0.00 177.10 175.63 1cqg h LYS 94 N 7.66 0.14 0.00 0.43 -0.00 -1.95 -2.90 116.57 119.95 1cqg h LYS 94 Ca -0.05 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.65 60.47 1cqg h LYS 94 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.25 1cqg h LYS 94 CO 0.54 0.59 -0.27 0.93 -0.00 0.00 0.00 179.45 181.24 1cqg h GLU 95 N 0.11 0.00 -0.46 0.07 5.08 -2.00 -2.26 114.58 115.12 1cqg h GLU 95 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cqg h GLU 95 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1cqg h GLU 95 CO 0.07 0.27 0.24 -0.22 -1.00 0.00 0.00 179.01 178.37 1cqg h LYS 96 N 0.00 0.64 -1.00 2.33 3.64 -1.94 -1.00 116.57 119.25 1cqg h LYS 96 Ca -0.00 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.52 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1cqg h LYS 96 CO 0.04 0.48 0.66 -0.07 -2.27 0.00 0.00 179.45 178.29 1cqg h LEU 97 N 0.64 1.14 -0.80 5.20 3.38 -1.51 -2.47 115.31 120.90 1cqg h LEU 97 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1cqg h LEU 97 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1cqg h LEU 97 CO -0.03 0.83 0.46 -0.08 0.09 0.00 0.00 178.44 179.71 1cqg h GLU 98 N 1.35 1.10 -0.25 1.13 4.57 -1.23 -2.22 114.58 119.02 1cqg h GLU 98 Ca 0.37 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.35 1cqg h GLU 98 Cb -0.15 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.21 1cqg h GLU 98 CO -0.08 0.79 -0.17 0.00 -1.18 0.00 0.00 179.01 178.37 1cqg h ALA 99 N 1.25 0.35 -0.58 2.92 0.00 -1.30 -2.65 119.26 119.26 1cqg h ALA 99 Ca 0.28 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 99 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cqg h ALA 99 CO -0.05 0.26 -0.05 1.15 0.00 0.00 0.00 179.25 180.57 1cqg h THR 100 N 0.27 1.27 0.06 0.00 2.02 -1.44 -0.13 112.91 114.95 1cqg h THR 100 Ca 0.05 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1cqg h THR 100 Cb 0.70 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1cqg h THR 100 CO 0.05 0.43 -0.03 0.40 0.37 0.00 0.00 175.52 176.74 1cqg h ILE 101 N 0.94 0.95 -0.33 3.11 2.04 -1.41 0.19 117.51 123.00 1cqg h ILE 101 Ca 0.16 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1cqg h ILE 101 Cb 0.61 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1cqg h ILE 101 CO 0.04 0.01 0.14 -1.13 0.00 0.00 0.00 178.15 177.20 1cqg h ASN 102 N -0.09 0.41 -0.43 1.72 -1.24 -1.36 0.64 115.58 115.24 1cqg h ASN 102 Ca -0.01 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.85 1cqg h ASN 102 Cb 0.07 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1cqg h ASN 102 CO 0.01 0.38 -0.18 -0.08 -1.29 0.00 0.00 177.43 176.27 1cqg h GLU 103 N 0.46 0.87 -0.02 6.67 4.57 0.16 -3.16 114.58 124.14 1cqg h GLU 103 Ca 0.12 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1cqg h GLU 103 Cb 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1cqg h GLU 103 CO -0.01 1.01 -0.19 1.28 -1.18 0.00 0.00 179.01 179.92 1cqg n LEU 104 N -4.22 2.27 0.00 1.64 4.77 0.55 -5.08 117.00 116.93 1cqg n LEU 104 Ca -0.01 -0.77 0.05 0.00 -0.03 0.00 0.00 56.01 55.25 1cqg n LEU 104 Cb 0.42 -0.01 0.29 0.00 -2.33 0.00 0.00 43.42 41.79 1cqg n LEU 104 CO 0.45 0.39 0.52 0.55 -1.33 0.00 0.00 177.39 177.97