#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 -0.05 2.03 1.01 -1.26 -2.49 120.40 125.03 1cqg s VAL 2 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1cqg s VAL 2 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 2 CO 0.00 0.48 -0.08 -0.75 0.00 0.00 0.00 175.10 174.75 1cqg s LYS 3 N -0.02 1.17 -0.25 2.72 2.47 -0.89 -5.03 119.74 119.92 1cqg s LYS 3 Ca 0.12 -0.25 -0.11 0.00 -1.56 0.00 0.00 55.97 54.17 1cqg s LYS 3 Cb -0.12 -1.05 -0.05 0.00 -1.46 0.00 0.00 37.83 35.15 1cqg s LYS 3 CO 0.01 -0.01 0.20 -1.14 0.16 0.00 0.00 175.35 174.57 1cqg s GLN 4 N 0.71 4.03 -0.33 4.03 0.74 -1.26 -1.03 119.66 126.55 1cqg s GLN 4 Ca -0.12 -0.24 -0.12 0.00 0.05 0.00 0.00 55.36 54.94 1cqg s GLN 4 Cb -0.14 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 1cqg s GLN 4 CO 0.02 -0.06 0.21 0.42 -0.55 0.00 0.00 175.29 175.33 1cqg s ILE 5 N 1.40 5.02 -2.74 -2.34 -1.09 -0.85 -4.92 121.20 115.67 1cqg s ILE 5 Ca 0.09 -0.31 0.25 0.00 -2.23 0.00 0.00 60.65 58.44 1cqg s ILE 5 Cb -0.15 -3.58 0.25 0.00 -1.58 0.00 0.00 42.46 37.40 1cqg s ILE 5 CO 0.07 0.01 1.36 -0.62 -1.23 0.00 0.00 174.94 174.53 1cqg n GLU 6 N 5.06 2.01 -3.65 2.79 4.71 -1.26 -4.40 120.64 125.91 1cqg n GLU 6 Ca -0.13 -1.57 -0.14 0.00 -0.01 0.00 0.00 57.16 55.31 1cqg n GLU 6 Cb 0.49 -1.47 -0.07 0.00 -1.01 0.00 0.00 31.44 29.39 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1cqg s SER 7 N -2.07 -0.35 0.40 1.62 1.04 -1.26 -4.48 113.70 108.61 1cqg s SER 7 Ca 0.29 0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.96 1cqg s SER 7 Cb 0.20 0.43 0.85 0.00 0.10 0.00 0.00 66.02 67.60 1cqg s SER 7 CO 0.35 -0.62 1.97 0.50 0.98 0.00 0.00 173.24 176.41 1cqg h LYS 8 N 3.14 0.29 -0.39 4.02 3.64 -1.92 -0.74 116.57 124.61 1cqg h LYS 8 Ca -0.30 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.19 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1cqg h LYS 8 CO 0.42 0.34 0.23 1.15 -2.27 0.00 0.00 179.45 179.31 1cqg h THR 9 N 0.29 1.04 -0.03 1.00 2.02 -1.97 -0.05 112.91 115.20 1cqg h THR 9 Ca 0.07 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1cqg h THR 9 Cb 0.23 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1cqg h THR 9 CO 0.01 0.08 -0.44 0.00 0.37 0.00 0.00 175.52 175.55 1cqg h ALA 10 N 1.18 1.22 -0.63 6.16 0.00 -1.77 -2.63 119.26 122.78 1cqg h ALA 10 Ca 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1cqg h ALA 10 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1cqg h ALA 10 CO -0.08 0.57 0.41 0.35 0.00 0.00 0.00 179.25 180.50 1cqg h PHE 11 N 0.06 0.78 -0.58 0.00 3.57 0.39 0.41 116.94 121.57 1cqg h PHE 11 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 11 Cb 0.80 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1cqg h PHE 11 CO 0.00 0.49 0.08 1.96 -2.23 0.00 0.00 178.31 178.61 1cqg h GLN 12 N 0.84 0.98 -0.31 1.11 1.08 -0.91 -1.87 115.11 116.04 1cqg h GLN 12 Ca 0.23 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1cqg h GLN 12 Cb -0.08 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.06 0.93 -0.20 0.93 -0.95 0.00 0.00 178.83 179.49 1cqg h GLU 13 N 0.87 0.57 -0.46 1.46 4.39 -1.01 -2.48 114.58 117.93 1cqg h GLU 13 Ca 0.18 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1cqg h GLU 13 Cb 0.44 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1cqg h GLU 13 CO 0.01 0.74 -0.18 0.00 -1.16 0.00 0.00 179.01 178.42 1cqg h ALA 14 N 1.28 0.64 -0.88 3.43 0.00 0.11 -0.51 119.26 123.33 1cqg h ALA 14 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 14 Cb 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1cqg h ALA 14 CO 0.04 0.60 0.49 -0.07 0.00 0.00 0.00 179.25 180.31 1cqg h LEU 15 N 0.78 1.09 -0.57 0.00 3.38 -1.13 -1.41 115.31 117.45 1cqg h LEU 15 Ca 0.11 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1cqg h LEU 15 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1cqg h LEU 15 CO 0.06 0.87 -0.44 -0.78 0.09 0.00 0.00 178.44 178.24 1cqg h ASP 16 N 1.22 0.69 -0.55 -0.43 1.82 -1.20 -3.14 116.42 114.84 1cqg h ASP 16 Ca 0.31 -0.33 -0.09 0.00 -0.39 0.00 0.00 57.03 56.53 1cqg h ASP 16 Cb 0.02 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1cqg h ASP 16 CO -0.05 1.03 -0.00 0.00 -1.61 0.00 0.00 179.24 178.61 1cqg h ALA 17 N 0.99 0.91 -0.26 -0.78 0.00 -0.53 -2.66 119.26 116.93 1cqg h ALA 17 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cqg h ALA 17 Cb 0.98 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cqg h ALA 17 CO 0.09 0.65 0.15 0.00 0.00 0.00 0.00 179.25 180.14 1cqg h ALA 18 N 1.07 1.78 -0.60 0.00 0.00 -1.23 -3.47 119.26 116.81 1cqg h ALA 18 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cqg h ALA 18 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cqg h ALA 18 CO 0.03 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1cqg n GLY 19 N -1.44 2.68 0.69 0.00 0.00 -1.01 -2.41 105.19 103.70 1cqg n GLY 19 Ca 0.01 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 6.83 2.07 -4.82 1.61 8.00 -1.26 -3.23 116.55 125.75 1cqg n ASP 20 Ca 0.00 -1.80 -0.33 0.00 0.71 0.00 0.00 54.79 53.36 1cqg n ASP 20 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.69 3.89 0.82 -1.24 1.02 -1.01 -4.77 119.74 116.75 1cqg s LYS 21 Ca 0.33 1.17 -0.13 0.00 0.02 0.00 0.00 55.97 57.36 1cqg s LYS 21 Cb 0.18 -2.12 0.09 0.00 -0.52 0.00 0.00 37.83 35.46 1cqg s LYS 21 CO 0.26 -0.33 1.19 -1.17 -0.92 0.00 0.00 175.35 174.37 1cqg s LEU 22 N -3.70 3.09 -0.11 3.17 0.20 -1.26 -4.57 118.68 115.49 1cqg s LEU 22 Ca 0.63 2.30 -0.04 0.00 0.69 0.00 0.00 54.13 57.71 1cqg s LEU 22 Cb -0.13 -4.58 0.06 0.00 -0.43 0.00 0.00 46.19 41.11 1cqg s LEU 22 CO 0.23 -2.70 0.17 -0.69 -0.29 0.00 0.00 176.35 173.07 1cqg s VAL 23 N -2.28 -0.27 -0.05 1.68 1.01 -0.61 -1.95 120.40 117.92 1cqg s VAL 23 Ca 0.71 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1cqg s VAL 23 Cb -0.27 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1cqg s VAL 23 CO 0.52 0.07 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 1cqg s VAL 24 N 2.30 4.30 -0.12 2.92 1.01 -0.77 -0.39 120.40 129.64 1cqg s VAL 24 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1cqg s VAL 24 Cb -0.13 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1cqg s VAL 24 CO -0.07 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.69 1cqg s VAL 25 N -0.98 1.58 -0.30 2.92 1.01 0.13 -0.18 120.40 124.58 1cqg s VAL 25 Ca 0.16 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1cqg s VAL 25 Cb -0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1cqg s VAL 25 CO 0.06 0.46 0.19 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 26 N 1.12 5.93 -0.23 3.32 2.15 0.04 -1.55 116.67 127.45 1cqg s ASP 26 Ca -0.03 -0.20 0.09 0.00 0.43 0.00 0.00 52.55 52.83 1cqg s ASP 26 Cb -0.14 -2.10 0.60 0.00 -0.30 0.00 0.00 42.92 40.97 1cqg s ASP 26 CO -0.04 -0.12 1.52 0.49 -0.17 0.00 0.00 175.17 176.85 1cqg n PHE 27 N 5.06 1.81 -1.72 -5.34 3.72 -0.28 0.45 117.46 121.17 1cqg n PHE 27 Ca -0.14 -0.83 -0.38 0.00 -0.05 0.00 0.00 57.45 56.06 1cqg n PHE 27 Cb 0.51 -0.52 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.13 2.18 -4.67 4.37 7.64 -1.24 -4.33 113.62 117.71 1cqg n SER 28 Ca 0.28 0.90 -0.41 0.00 1.01 0.00 0.00 58.87 60.66 1cqg n SER 28 Cb 1.10 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.35 3.52 0.31 -0.43 0.00 -1.26 -4.17 121.76 118.38 1cqg s ALA 29 Ca 0.76 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1cqg s ALA 29 Cb -0.41 -3.07 0.53 0.00 0.00 0.00 0.00 23.12 20.17 1cqg s ALA 29 CO 0.46 -0.57 1.82 0.00 0.00 0.00 0.00 175.76 177.46 1cqg h THR 30 N 5.17 1.22 0.00 0.00 1.03 -1.92 -1.82 112.91 116.59 1cqg h THR 30 Ca -0.31 -0.97 -0.03 0.00 -0.01 0.00 0.00 66.41 65.08 1cqg h THR 30 Cb 1.14 1.10 -0.00 0.00 -1.07 0.00 0.00 68.15 69.32 1cqg h THR 30 CO 0.80 0.32 -0.17 4.11 -0.01 0.00 0.00 175.52 180.57 1cqg h TRP 31 N 0.47 0.00 -3.55 0.00 5.08 -2.02 -3.41 115.95 112.52 1cqg h TRP 31 Ca 0.09 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.48 1cqg h TRP 31 Cb 0.46 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.54 1cqg h TRP 31 CO 0.02 0.17 0.71 0.00 -1.28 0.00 0.00 178.44 178.05 1cqg h GLY 33 N 10.43 -0.08 0.18 0.00 0.00 -1.83 -0.64 103.07 111.14 1cqg h GLY 33 Ca -0.23 0.03 0.20 0.00 0.00 0.00 0.00 47.33 47.33 1cqg h GLY 33 CO 1.03 -0.03 0.61 -2.55 0.00 0.00 0.00 176.54 175.60 1cqg h PRO 34 N -0.08 0.60 0.03 4.80 0.11 -1.94 0.19 132.00 135.70 1cqg h PRO 34 Ca -0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1cqg h PRO 34 Cb 0.07 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.05 1cqg h PRO 34 CO 0.01 0.39 -0.31 0.00 -0.21 0.00 0.00 178.00 177.88 1cqg h ALA 35 N 1.62 0.00 -0.19 -0.75 0.00 -1.75 -3.24 119.26 114.95 1cqg h ALA 35 Ca 0.54 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cqg h ALA 35 Cb 1.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1cqg h ALA 35 CO -0.29 0.13 0.13 -0.22 0.00 0.00 0.00 179.25 178.99 1cqg h LYS 36 N -0.58 0.20 -0.01 0.00 3.64 -0.52 -0.63 116.57 118.66 1cqg h LYS 36 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 36 Cb 1.13 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1cqg h LYS 36 CO 0.06 0.13 0.01 1.98 -2.27 0.00 0.00 179.45 179.36 1cqg h MET 37 N 0.20 0.00 -0.00 1.90 4.05 -0.68 -0.83 114.93 119.58 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 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1cqg h MET 37 CO -0.01 0.00 -0.02 -0.89 0.23 0.00 0.00 176.91 176.22 1cqg n ILE 38 N -4.50 0.00 0.16 1.77 5.41 -0.24 -4.15 119.36 117.81 1cqg n ILE 38 Ca -0.03 -0.01 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1cqg n ILE 38 Cb 0.10 -0.43 0.55 0.00 -0.71 0.00 0.00 39.64 39.15 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 0.09 0.20 -0.76 0.38 2.10 -1.21 -2.88 116.57 114.50 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 0.27 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.52 1cqg h LYS 39 CO 0.00 0.15 0.50 -1.35 -2.00 0.00 0.00 179.45 176.75 1cqg h PRO 40 N 0.21 0.99 0.06 0.07 0.11 -1.80 1.18 132.00 132.80 1cqg h PRO 40 Ca 0.05 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1cqg h PRO 40 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 1cqg h PRO 40 CO -0.01 0.65 -0.03 0.74 -0.21 0.00 0.00 178.00 179.14 1cqg h PHE 41 N 1.02 -0.07 -0.34 0.65 -1.00 -1.83 0.93 116.94 116.30 1cqg h PHE 41 Ca 0.28 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1cqg h PHE 41 Cb -0.11 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1cqg h PHE 41 CO -0.00 0.45 0.22 0.35 -1.61 0.00 0.00 178.31 177.72 1cqg h PHE 42 N -0.66 0.42 -0.21 -0.55 3.57 -1.43 0.10 116.94 118.17 1cqg h PHE 42 Ca -0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 42 Cb 0.56 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1cqg h PHE 42 CO 0.11 0.26 -0.09 1.25 -2.23 0.00 0.00 178.31 177.61 1cqg h HIS 43 N 0.45 0.51 -0.90 0.41 2.76 0.14 -3.17 115.15 115.34 1cqg h HIS 43 Ca 0.12 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1cqg h HIS 43 Cb -0.04 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 1cqg h HIS 43 CO -0.06 0.71 0.49 0.77 -1.30 0.00 0.00 177.93 178.55 1cqg h SER 44 N 0.15 1.13 0.12 3.26 0.02 0.12 -2.32 113.55 116.03 1cqg h SER 44 Ca 0.05 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1cqg h SER 44 Cb 0.57 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1cqg h SER 44 CO 0.03 0.90 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.54 1cqg h LEU 45 N 1.26 0.00 -1.18 5.07 3.38 -0.78 -2.16 115.31 120.90 1cqg h LEU 45 Ca 0.32 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.39 1cqg h LEU 45 Cb 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1cqg h LEU 45 CO -0.05 0.02 0.59 0.28 0.09 0.00 0.00 178.44 179.36 1cqg h SER 46 N 0.00 0.80 1.15 -0.43 0.02 -1.43 0.26 113.55 113.92 1cqg h SER 46 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 46 Cb 0.08 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1cqg h SER 46 CO 0.00 0.46 -0.52 -0.33 -1.14 0.00 0.00 176.83 175.30 1cqg h GLU 47 N 0.88 0.00 0.02 3.45 4.39 -1.57 -2.89 114.58 118.87 1cqg h GLU 47 Ca 0.43 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.90 1cqg h GLU 47 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1cqg h GLU 47 CO -0.19 0.00 -1.00 -0.22 -1.16 0.00 0.00 179.01 176.44 1cqg h LYS 48 N 0.00 0.39 -2.17 2.33 3.64 -0.54 -3.33 116.57 116.89 1cqg h LYS 48 Ca 0.00 -0.46 -0.59 0.00 -1.27 0.00 0.00 60.65 58.34 1cqg h LYS 48 Cb 0.83 0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.38 1cqg h LYS 48 CO 0.00 1.13 -0.70 0.66 -2.27 0.00 0.00 179.45 178.27 1cqg n TYR 49 N -3.71 2.97 0.25 1.91 4.01 0.36 -4.86 117.16 118.09 1cqg n TYR 49 Ca -0.07 -4.03 0.03 0.00 -0.16 0.00 0.00 57.90 53.67 1cqg n TYR 49 Cb 0.87 -0.51 0.14 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.72 0.00 -0.54 7.72 3.41 -1.09 -0.13 113.62 123.71 1cqg n SER 50 Ca 0.29 0.34 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 1cqg n SER 50 Cb 0.44 -0.39 0.34 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.39 1.62 -4.16 4.04 5.15 -1.26 -4.50 115.26 114.77 1cqg n ASN 51 Ca 0.02 -1.75 -0.23 0.00 -0.60 0.00 0.00 54.58 52.02 1cqg n ASN 51 Cb 0.06 -0.13 -0.14 0.00 -0.53 0.00 0.00 39.78 39.04 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 -1.75 1.28 -0.26 3.44 1.01 0.81 -4.35 120.40 120.59 1cqg s VAL 52 Ca 0.30 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1cqg s VAL 52 Cb 0.16 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1cqg s VAL 52 CO 0.24 0.20 0.21 -0.63 0.00 0.00 0.00 175.10 175.11 1cqg s ILE 53 N -0.63 5.31 -0.20 2.22 -1.09 -0.82 -3.69 121.20 122.29 1cqg s ILE 53 Ca 0.05 0.25 -0.10 0.00 -2.23 0.00 0.00 60.65 58.62 1cqg s ILE 53 Cb -0.07 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1cqg s ILE 53 CO 0.01 0.28 0.12 -0.36 -1.23 0.00 0.00 174.94 173.76 1cqg s PHE 54 N 1.45 3.36 -0.03 3.97 0.40 -1.04 -1.85 117.98 124.24 1cqg s PHE 54 Ca 0.09 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1cqg s PHE 54 Cb -0.15 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1cqg s PHE 54 CO 0.08 0.22 -0.11 -0.51 0.70 0.00 0.00 175.22 175.60 1cqg s LEU 55 N 0.50 2.95 -0.13 -0.37 1.02 0.74 -2.09 118.68 121.30 1cqg s LEU 55 Ca 0.07 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 1cqg s LEU 55 Cb -0.12 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1cqg s LEU 55 CO -0.00 0.33 -0.06 -0.70 0.02 0.00 0.00 176.35 175.94 1cqg s GLU 56 N -0.99 3.40 -0.05 1.70 2.12 -0.20 -0.78 118.70 123.91 1cqg s GLU 56 Ca 0.13 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.94 1cqg s GLU 56 Cb -0.11 -2.80 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1cqg s GLU 56 CO 0.03 0.35 -0.10 0.08 -0.54 0.00 0.00 175.26 175.08 1cqg s VAL 57 N 0.04 0.96 -0.26 3.70 1.01 0.17 -2.01 120.40 124.02 1cqg s VAL 57 Ca -0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1cqg s VAL 57 Cb -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1cqg s VAL 57 CO 0.03 0.31 0.37 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 58 N 0.52 6.28 0.57 3.32 -1.08 -1.26 -3.63 116.67 121.38 1cqg s ASP 58 Ca -0.10 0.32 0.35 0.00 -0.52 0.00 0.00 52.55 52.60 1cqg s ASP 58 Cb -0.13 -2.21 1.57 0.00 -1.46 0.00 0.00 42.92 40.69 1cqg s ASP 58 CO 0.02 -0.16 2.06 -0.37 0.52 0.00 0.00 175.17 177.24 1cqg h VAL 59 N 5.32 0.07 0.09 1.11 -1.51 -1.75 1.40 116.25 120.97 1cqg h VAL 59 Ca -0.32 -0.44 -0.33 0.00 -1.23 0.00 0.00 66.70 64.38 1cqg h VAL 59 Cb 1.16 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 1cqg h VAL 59 CO 0.65 0.02 -1.78 0.47 -1.23 0.00 0.00 177.57 175.71 1cqg n ASP 60 N -3.14 2.05 0.02 4.19 9.92 -1.26 -2.51 116.55 125.81 1cqg n ASP 60 Ca -0.00 0.28 0.11 0.00 -0.53 0.00 0.00 54.79 54.64 1cqg n ASP 60 Cb 0.26 -0.90 -0.02 0.00 -0.64 0.00 0.00 41.12 39.82 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 -3.79 0.61 -2.14 -2.24 8.00 -1.18 -4.07 116.55 111.74 1cqg n ASP 61 Ca -0.32 -0.34 -0.19 0.00 0.71 0.00 0.00 54.79 54.66 1cqg n ASP 61 Cb 0.93 0.96 0.03 0.00 -0.02 0.00 0.00 41.12 43.02 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 -1.80 4.50 0.28 2.24 0.00 0.48 -4.77 120.51 121.44 1cqg n ALA 62 Ca 0.02 -3.57 0.13 0.00 0.00 0.00 0.00 53.44 50.01 1cqg n ALA 62 Cb 0.43 -0.43 0.82 0.00 0.00 0.00 0.00 19.45 20.26 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 2.23 0.00 -0.50 0.00 3.07 -1.38 -0.60 115.11 117.92 1cqg h GLN 63 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.92 1cqg h GLN 63 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.02 1cqg h GLN 63 CO 0.63 0.00 0.00 0.38 0.09 0.00 0.00 178.83 179.93 1cqg h ASP 64 N 0.00 0.81 -0.10 0.06 3.04 -1.87 0.37 116.42 118.73 1cqg h ASP 64 Ca -0.00 -0.20 -0.05 0.00 -3.24 0.00 0.00 57.03 53.54 1cqg h ASP 64 Cb 0.01 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 38.08 1cqg h ASP 64 CO 0.00 0.87 -0.12 0.58 -2.04 0.00 0.00 179.24 178.53 1cqg h VAL 65 N 0.78 1.37 -0.24 4.15 2.07 -1.45 -3.00 116.25 119.92 1cqg h VAL 65 Ca 0.15 -1.32 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 1cqg h VAL 65 Cb 0.47 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1cqg h VAL 65 CO 0.02 0.37 -0.47 0.00 0.02 0.00 0.00 177.57 177.52 1cqg h ALA 66 N 0.56 0.72 -0.24 1.67 0.00 -1.33 -3.00 119.26 117.63 1cqg h ALA 66 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 66 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cqg h ALA 66 CO 0.03 0.67 0.10 0.66 0.00 0.00 0.00 179.25 180.71 1cqg h SER 67 N 0.51 0.30 -0.18 0.00 4.64 -0.29 -0.97 113.55 117.56 1cqg h SER 67 Ca 0.03 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1cqg h SER 67 Cb 1.01 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1cqg h SER 67 CO 0.09 0.27 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.05 1cqg h GLU 68 N 0.34 0.61 -0.01 4.77 4.22 -1.38 -2.54 114.58 120.59 1cqg h GLU 68 Ca 0.09 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1cqg h GLU 68 Cb 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1cqg h GLU 68 CO -0.01 0.76 -0.01 0.00 -2.18 0.00 0.00 179.01 177.57 1cqg n ALA 69 N -2.49 2.61 -3.67 2.92 0.00 -0.47 -4.94 120.51 114.47 1cqg n ALA 69 Ca 0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 1cqg n ALA 69 Cb 0.39 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.09 -5.08 -2.10 0.00 4.71 -0.58 -4.87 120.64 112.63 1cqg n GLU 70 Ca 0.20 0.65 -0.42 0.00 -0.01 0.00 0.00 57.16 57.58 1cqg n GLU 70 Cb 0.31 -5.25 -0.03 0.00 -1.01 0.00 0.00 31.44 25.46 1cqg n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1cqg s VAL 71 N -3.64 3.00 -0.57 2.62 1.01 -1.16 -4.89 120.40 116.77 1cqg s VAL 71 Ca 0.00 0.77 0.16 0.00 0.00 0.00 0.00 61.98 62.92 1cqg s VAL 71 Cb -0.00 -3.49 -0.20 0.00 0.00 0.00 0.00 36.38 32.69 1cqg s VAL 71 CO 0.80 0.09 0.61 0.29 0.00 0.00 0.00 175.10 176.89 1cqg n LYS 72 N 3.21 1.32 -3.51 2.72 4.76 -1.26 -5.01 118.16 120.39 1cqg n LYS 72 Ca 0.09 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1cqg n LYS 72 Cb 0.41 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.71 -1.78 0.17 7.82 0.00 -1.26 -5.17 121.76 118.83 1cqg s ALA 73 Ca 0.03 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.24 1cqg s ALA 73 Cb 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1cqg s ALA 73 CO 0.68 -0.48 -0.18 0.95 0.00 0.00 0.00 175.76 176.72 1cqg s THR 74 N -1.96 1.84 0.33 0.00 -4.23 -1.26 -4.09 115.64 106.27 1cqg s THR 74 Ca -0.04 -1.93 -0.27 0.00 -1.18 0.00 0.00 61.69 58.27 1cqg s THR 74 Cb -0.00 -1.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 1cqg s THR 74 CO 0.01 -0.31 1.03 -2.16 -0.54 0.00 0.00 174.62 172.65 1cqg s PRO 75 N -2.81 4.47 -0.03 3.99 0.04 -1.26 -4.90 135.00 134.51 1cqg s PRO 75 Ca 0.16 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1cqg s PRO 75 Cb -0.06 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.61 1cqg s PRO 75 CO 0.07 0.13 -0.13 0.99 0.04 0.00 0.00 177.00 178.09 1cqg s THR 76 N -1.44 1.12 -0.14 1.26 2.01 -1.26 -2.81 115.64 114.37 1cqg s THR 76 Ca 0.50 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1cqg s THR 76 Cb -0.25 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1cqg s THR 76 CO 0.31 0.33 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.13 1cqg s PHE 77 N 0.05 2.90 -0.04 4.92 0.08 -0.44 -1.12 117.98 124.34 1cqg s PHE 77 Ca -0.02 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.58 1cqg s PHE 77 Cb -0.09 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1cqg s PHE 77 CO 0.01 -0.15 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.09 1cqg s GLN 78 N 0.39 2.15 -0.14 0.44 -0.21 -0.60 -1.72 119.66 119.97 1cqg s GLN 78 Ca -0.08 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 54.41 1cqg s GLN 78 Cb -0.15 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1cqg s GLN 78 CO 0.04 0.44 0.03 -0.06 -2.12 0.00 0.00 175.29 173.62 1cqg s PHE 79 N -0.35 3.21 0.08 0.91 0.40 0.57 -0.69 117.98 122.11 1cqg s PHE 79 Ca 0.03 0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 1cqg s PHE 79 Cb -0.11 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1cqg s PHE 79 CO 0.01 0.29 -0.17 -0.06 0.70 0.00 0.00 175.22 175.99 1cqg s PHE 80 N -0.23 1.47 -0.17 0.36 0.40 0.48 -1.26 117.98 119.03 1cqg s PHE 80 Ca 0.07 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1cqg s PHE 80 Cb -0.12 -0.83 0.07 0.00 0.51 0.00 0.00 43.02 42.65 1cqg s PHE 80 CO 0.02 0.11 0.38 0.21 0.70 0.00 0.00 175.22 176.64 1cqg s LYS 81 N -1.67 0.32 -1.88 0.44 2.20 0.15 -1.57 119.74 117.73 1cqg s LYS 81 Ca 0.02 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1cqg s LYS 81 Cb -0.10 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1cqg s LYS 81 CO 0.03 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.44 1cqg n LYS 82 N 4.75 -1.64 -1.20 4.03 5.02 -1.20 -0.77 118.16 127.15 1cqg n LYS 82 Ca -0.17 1.06 -0.02 0.00 -2.02 0.00 0.00 58.31 57.16 1cqg n LYS 82 Cb 0.52 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.85 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 -0.91 0.49 3.10 0.72 0.00 -1.26 -5.03 105.19 102.30 1cqg n GLY 83 Ca -0.24 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.44 1.10 0.00 1.61 -0.21 0.05 -5.12 119.66 114.65 1cqg s GLN 84 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 1cqg s GLN 84 Cb 0.00 -1.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 1cqg s GLN 84 CO 0.00 0.29 1.07 0.21 -2.12 0.00 0.00 175.29 174.74 1cqg s LYS 85 N -0.35 4.49 0.00 2.91 2.20 -1.26 0.31 119.74 128.04 1cqg s LYS 85 Ca 0.05 1.55 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 1cqg s LYS 85 Cb -0.05 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1cqg s LYS 85 CO -0.00 -0.18 0.82 1.33 -0.36 0.00 0.00 175.35 176.96 1cqg n VAL 86 N 4.04 0.67 0.00 4.02 0.24 -0.39 -4.93 118.33 121.98 1cqg n VAL 86 Ca 0.08 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1cqg n VAL 86 Cb 0.49 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1cqg n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cqg n GLY 87 N -0.34 1.93 3.55 7.63 0.00 -1.24 -4.95 105.19 111.77 1cqg n GLY 87 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1cqg n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cqg s GLU 88 N -2.00 0.83 0.07 1.61 -6.30 -1.26 -0.31 118.70 111.33 1cqg s GLU 88 Ca 0.00 0.24 -0.26 0.00 -2.50 0.00 0.00 54.97 52.45 1cqg s GLU 88 Cb 0.00 0.39 0.09 0.00 0.00 0.00 0.00 34.13 34.61 1cqg s GLU 88 CO 0.00 -0.25 0.76 -0.59 0.02 0.00 0.00 175.26 175.19 1cqg s PHE 89 N -1.07 -0.44 0.21 5.30 -0.12 -0.70 -5.01 117.98 116.15 1cqg s PHE 89 Ca -0.06 0.30 0.08 0.00 -0.05 0.00 0.00 56.93 57.19 1cqg s PHE 89 Cb -0.00 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1cqg s PHE 89 CO 0.06 -0.68 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.87 1cqg s SER 90 N -2.54 2.63 0.00 1.98 1.04 -1.26 -1.33 113.70 114.22 1cqg s SER 90 Ca 0.03 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1cqg s SER 90 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cqg s SER 90 CO -0.10 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1cqg n GLY 91 N -0.41 3.84 2.46 7.32 0.00 -1.13 -4.90 105.19 112.38 1cqg n GLY 91 Ca -0.08 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.49 6.79 -3.92 4.61 0.00 -1.26 -4.80 120.51 121.44 1cqg n ALA 92 Ca 0.00 -3.53 -0.33 0.00 0.00 0.00 0.00 53.44 49.58 1cqg n ALA 92 Cb 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 19.45 15.90 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 2.58 4.90 0.31 0.00 3.84 -1.26 -4.97 114.94 120.33 1cqg s ASN 93 Ca 0.62 -1.97 0.09 0.00 0.21 0.00 0.00 52.86 51.80 1cqg s ASN 93 Cb 0.16 -1.69 0.49 0.00 -0.55 0.00 0.00 41.25 39.67 1cqg s ASN 93 CO -0.06 -0.40 1.71 0.07 -2.79 0.00 0.00 177.10 175.62 1cqg h LYS 94 N 7.79 0.14 0.00 0.43 -0.00 -1.96 -2.89 116.57 120.08 1cqg h LYS 94 Ca -0.10 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.65 60.41 1cqg h LYS 94 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.25 1cqg h LYS 94 CO 0.57 0.56 -0.33 0.93 -0.00 0.00 0.00 179.45 181.18 1cqg h GLU 95 N 0.12 0.00 -0.41 0.07 5.08 -2.00 -2.23 114.58 115.21 1cqg h GLU 95 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cqg h GLU 95 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1cqg h GLU 95 CO 0.06 0.33 0.27 -0.22 -1.00 0.00 0.00 179.01 178.45 1cqg h LYS 96 N 0.00 0.54 -1.01 2.33 3.64 -1.94 -0.35 116.57 119.79 1cqg h LYS 96 Ca -0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.60 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1cqg h LYS 96 CO 0.04 0.36 0.67 -0.07 -2.27 0.00 0.00 179.45 178.18 1cqg h LEU 97 N 0.56 1.15 -0.62 5.20 3.38 -1.50 -2.24 115.31 121.24 1cqg h LEU 97 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1cqg h LEU 97 Cb -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1cqg h LEU 97 CO -0.03 0.83 0.26 -0.08 0.09 0.00 0.00 178.44 179.50 1cqg h GLU 98 N 1.36 0.92 -0.32 1.13 4.81 -1.12 -1.92 114.58 119.43 1cqg h GLU 98 Ca 0.37 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1cqg h GLU 98 Cb -0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1cqg h GLU 98 CO -0.08 0.77 -0.13 0.00 -0.73 0.00 0.00 179.01 178.84 1cqg h ALA 99 N 1.10 0.45 -0.58 2.92 0.00 -1.22 -2.20 119.26 119.73 1cqg h ALA 99 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 99 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 99 CO -0.02 0.33 -0.00 1.15 0.00 0.00 0.00 179.25 180.71 1cqg h THR 100 N 0.42 1.26 -0.23 0.00 2.02 -1.34 -0.34 112.91 114.70 1cqg h THR 100 Ca 0.07 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1cqg h THR 100 Cb 0.65 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1cqg h THR 100 CO 0.04 0.41 0.13 0.40 0.37 0.00 0.00 175.52 176.87 1cqg h ILE 101 N 0.93 1.11 -0.55 3.11 2.04 -1.29 -0.02 117.51 122.83 1cqg h ILE 101 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1cqg h ILE 101 Cb 0.55 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1cqg h ILE 101 CO 0.03 0.10 0.34 -1.13 0.00 0.00 0.00 178.15 177.50 1cqg h ASN 102 N 0.27 0.65 -0.52 1.72 -0.73 -1.18 0.97 115.58 116.76 1cqg h ASN 102 Ca 0.08 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.11 1cqg h ASN 102 Cb 0.05 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1cqg h ASN 102 CO -0.01 0.49 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.33 1cqg h GLU 103 N 0.76 1.02 -0.02 6.67 4.22 -0.05 -3.12 114.58 124.05 1cqg h GLU 103 Ca 0.20 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.26 1cqg h GLU 103 Cb -0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1cqg h GLU 103 CO -0.04 1.07 -0.26 1.28 -2.18 0.00 0.00 179.01 178.88 1cqg n LEU 104 N -4.14 2.39 0.00 1.64 4.77 -0.12 -5.09 117.00 116.45 1cqg n LEU 104 Ca 0.01 -0.84 0.03 0.00 -0.03 0.00 0.00 56.01 55.19 1cqg n LEU 104 Cb 0.41 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.66 1cqg n LEU 104 CO 0.46 0.42 0.40 0.55 -1.33 0.00 0.00 177.39 177.88