#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 5.41 -0.07 2.03 1.01 -1.26 -4.33 120.40 123.18 1cqg s VAL 2 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1cqg s VAL 2 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1cqg s VAL 2 CO 0.00 0.35 -0.10 -0.75 0.00 0.00 0.00 175.10 174.60 1cqg s LYS 3 N -1.85 1.50 -0.21 2.72 2.20 -1.17 -5.07 119.74 117.86 1cqg s LYS 3 Ca 0.27 -0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 1cqg s LYS 3 Cb -0.13 -1.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 1cqg s LYS 3 CO 0.17 -0.04 0.30 -1.14 -0.36 0.00 0.00 175.35 174.28 1cqg s GLN 4 N 0.89 4.14 -0.39 4.03 0.74 -1.26 -2.40 119.66 125.41 1cqg s GLN 4 Ca -0.11 0.02 -0.14 0.00 0.05 0.00 0.00 55.36 55.18 1cqg s GLN 4 Cb -0.15 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.44 1cqg s GLN 4 CO 0.01 0.01 0.28 0.42 -0.55 0.00 0.00 175.29 175.46 1cqg s ILE 5 N 1.17 5.22 -2.72 -2.34 -1.09 -0.93 -4.90 121.20 115.61 1cqg s ILE 5 Ca 0.15 -0.57 0.24 0.00 -2.23 0.00 0.00 60.65 58.24 1cqg s ILE 5 Cb -0.14 -3.85 0.18 0.00 -1.58 0.00 0.00 42.46 37.07 1cqg s ILE 5 CO 0.06 -0.23 1.27 -0.62 -1.23 0.00 0.00 174.94 174.19 1cqg n GLU 6 N 5.14 1.99 -3.60 2.79 4.71 -1.26 -4.41 120.64 126.00 1cqg n GLU 6 Ca -0.11 -1.61 -0.12 0.00 -0.01 0.00 0.00 57.16 55.30 1cqg n GLU 6 Cb 0.48 -1.47 -0.05 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 -2.12 -0.35 0.38 1.62 1.04 -1.26 -4.47 113.70 108.54 1cqg s SER 7 Ca 0.27 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.73 1cqg s SER 7 Cb 0.20 0.48 0.76 0.00 0.10 0.00 0.00 66.02 67.55 1cqg s SER 7 CO 0.37 -0.77 1.95 0.50 0.98 0.00 0.00 173.24 176.26 1cqg h LYS 8 N 2.62 0.41 -0.35 4.02 3.64 -1.92 -2.29 116.57 122.69 1cqg h LYS 8 Ca -0.32 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1cqg h LYS 8 Cb 1.23 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1cqg h LYS 8 CO 0.43 0.42 -0.05 1.15 -2.27 0.00 0.00 179.45 179.14 1cqg h THR 9 N 0.40 0.69 -0.02 1.00 2.02 -2.00 0.14 112.91 115.14 1cqg h THR 9 Ca 0.09 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1cqg h THR 9 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1cqg h THR 9 CO 0.00 0.01 -0.41 0.00 0.37 0.00 0.00 175.52 175.49 1cqg h ALA 10 N 1.33 1.27 -0.52 6.16 0.00 -1.88 -2.77 119.26 122.86 1cqg h ALA 10 Ca 0.17 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1cqg h ALA 10 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1cqg h ALA 10 CO -0.33 0.53 0.30 0.35 0.00 0.00 0.00 179.25 180.11 1cqg h PHE 11 N 0.04 0.56 -0.58 0.00 3.57 -0.22 0.27 116.94 120.58 1cqg h PHE 11 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.75 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1cqg h PHE 11 CO 0.00 0.32 0.12 1.96 -2.23 0.00 0.00 178.31 178.48 1cqg h GLN 12 N 0.60 0.94 -0.69 1.11 1.08 -1.04 -1.96 115.11 115.14 1cqg h GLN 12 Ca 0.21 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1cqg h GLN 12 Cb 0.04 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1cqg h GLN 12 CO -0.10 0.88 0.15 0.93 -0.95 0.00 0.00 178.83 179.74 1cqg h GLU 13 N 0.84 1.11 -0.42 1.46 4.39 -1.06 -1.79 114.58 119.11 1cqg h GLU 13 Ca 0.18 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1cqg h GLU 13 Cb 0.38 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1cqg h GLU 13 CO 0.01 0.99 -0.16 0.00 -1.16 0.00 0.00 179.01 178.69 1cqg h ALA 14 N 1.10 0.59 -0.83 3.43 0.00 -0.31 0.14 119.26 123.38 1cqg h ALA 14 Ca 0.21 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cqg h ALA 14 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1cqg h ALA 14 CO 0.01 0.52 0.54 -0.07 0.00 0.00 0.00 179.25 180.24 1cqg h LEU 15 N 0.68 0.96 -0.60 0.00 3.38 -1.18 0.03 115.31 118.58 1cqg h LEU 15 Ca 0.10 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1cqg h LEU 15 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1cqg h LEU 15 CO 0.05 0.71 -0.39 -0.78 0.09 0.00 0.00 178.44 178.12 1cqg h ASP 16 N 1.12 0.71 -0.45 -0.43 1.82 -1.00 -3.05 116.42 115.15 1cqg h ASP 16 Ca 0.30 -0.32 -0.13 0.00 -0.39 0.00 0.00 57.03 56.49 1cqg h ASP 16 Cb -0.11 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.69 1cqg h ASP 16 CO -0.06 1.02 -0.23 0.00 -1.61 0.00 0.00 179.24 178.36 1cqg h ALA 17 N 1.01 0.71 0.00 -0.78 0.00 0.02 -2.65 119.26 117.57 1cqg h ALA 17 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1cqg h ALA 17 Cb 0.92 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cqg h ALA 17 CO 0.08 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.92 1cqg h ALA 18 N 0.89 1.65 -0.70 0.00 0.00 -0.97 -3.47 119.26 116.66 1cqg h ALA 18 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cqg h ALA 18 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 18 CO 0.07 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1cqg n GLY 19 N -1.14 3.03 0.61 0.00 0.00 -1.00 -1.77 105.19 104.93 1cqg n GLY 19 Ca -0.03 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 6.84 1.84 -4.80 1.61 8.00 -1.26 -3.50 116.55 125.29 1cqg n ASP 20 Ca 0.00 -1.74 -0.34 0.00 0.71 0.00 0.00 54.79 53.42 1cqg n ASP 20 Cb 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.76 3.74 0.91 -1.24 1.02 -0.73 -4.76 119.74 116.92 1cqg s LYS 21 Ca 0.33 1.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.56 1cqg s LYS 21 Cb 0.18 -2.09 0.14 0.00 -0.52 0.00 0.00 37.83 35.54 1cqg s LYS 21 CO 0.26 -0.48 1.12 -0.11 -0.92 0.00 0.00 175.35 175.22 1cqg n LEU 22 N -1.09 3.30 -3.59 3.17 0.00 -1.26 -4.60 117.00 112.93 1cqg n LEU 22 Ca 0.09 0.44 -0.14 0.00 0.00 0.00 0.00 56.01 56.40 1cqg n LEU 22 Cb 0.52 -1.47 -0.12 0.00 0.00 0.00 0.00 43.42 42.35 1cqg n LEU 22 CO 0.40 -2.18 -0.13 -0.69 0.00 0.00 0.00 177.39 174.80 1cqg s VAL 23 N -2.57 -0.43 -0.03 1.96 1.01 -0.52 -2.02 120.40 117.81 1cqg s VAL 23 Ca 0.67 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 1cqg s VAL 23 Cb -0.24 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1cqg s VAL 23 CO 0.58 0.02 0.07 -0.69 0.00 0.00 0.00 175.10 175.08 1cqg s VAL 24 N 2.42 4.74 -0.12 2.92 1.01 -0.43 -0.14 120.40 130.81 1cqg s VAL 24 Ca 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1cqg s VAL 24 Cb -0.13 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1cqg s VAL 24 CO -0.10 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 1cqg s VAL 25 N -1.13 1.50 -0.27 2.92 1.01 0.71 -0.16 120.40 124.98 1cqg s VAL 25 Ca 0.21 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 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 0.11 0.44 0.17 -0.62 0.00 0.00 0.00 175.10 175.20 1cqg s ASP 26 N 1.15 5.88 -0.23 3.32 -1.08 -0.21 -1.29 116.67 124.21 1cqg s ASP 26 Ca -0.03 -0.04 0.09 0.00 -0.52 0.00 0.00 52.55 52.05 1cqg s ASP 26 Cb -0.14 -2.09 0.63 0.00 -1.46 0.00 0.00 42.92 39.86 1cqg s ASP 26 CO -0.04 -0.04 1.56 0.49 0.52 0.00 0.00 175.17 177.65 1cqg n PHE 27 N 5.01 1.86 -1.69 -5.34 3.72 -0.17 0.54 117.46 121.39 1cqg n PHE 27 Ca -0.14 -0.82 -0.38 0.00 -0.05 0.00 0.00 57.45 56.06 1cqg n PHE 27 Cb 0.52 -0.52 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.18 1.74 -4.67 4.37 7.64 -1.24 -4.31 113.62 117.34 1cqg n SER 28 Ca 0.28 0.85 -0.41 0.00 1.01 0.00 0.00 58.87 60.61 1cqg n SER 28 Cb 1.11 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.41 3.50 0.37 -0.43 0.00 -1.26 -4.16 121.76 118.37 1cqg s ALA 29 Ca 0.78 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.81 1cqg s ALA 29 Cb -0.40 -3.15 0.72 0.00 0.00 0.00 0.00 23.12 20.29 1cqg s ALA 29 CO 0.45 -0.58 1.88 0.00 0.00 0.00 0.00 175.76 177.50 1cqg h THR 30 N 5.15 1.20 0.00 0.00 1.03 -1.91 -2.12 112.91 116.26 1cqg h THR 30 Ca -0.31 -0.92 -0.06 0.00 -0.01 0.00 0.00 66.41 65.11 1cqg h THR 30 Cb 1.14 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.51 1cqg h THR 30 CO 0.82 0.28 -0.27 4.11 -0.01 0.00 0.00 175.52 180.45 1cqg h TRP 31 N 0.22 0.00 -3.36 0.00 5.08 -2.02 -3.43 115.95 112.44 1cqg h TRP 31 Ca 0.04 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.42 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 0.01 0.27 0.66 0.00 -1.28 0.00 0.00 178.44 178.09 1cqg h GLY 33 N 9.83 -0.27 0.15 0.00 0.00 -1.84 0.29 103.07 111.23 1cqg h GLY 33 Ca -0.22 0.10 0.23 0.00 0.00 0.00 0.00 47.33 47.44 1cqg h GLY 33 CO 0.97 -0.10 0.63 -2.55 0.00 0.00 0.00 176.54 175.49 1cqg h PRO 34 N -0.31 0.36 0.06 4.80 0.11 -1.94 0.38 132.00 135.46 1cqg h PRO 34 Ca -0.03 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1cqg h PRO 34 Cb 0.24 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.28 1cqg h PRO 34 CO 0.04 0.24 -0.37 0.00 -0.21 0.00 0.00 178.00 177.70 1cqg h ALA 35 N 1.60 -0.04 -0.33 -0.75 0.00 -1.76 -3.27 119.26 114.70 1cqg h ALA 35 Ca 0.51 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1cqg h ALA 35 Cb 1.33 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1cqg h ALA 35 CO -0.20 0.17 0.22 -0.22 0.00 0.00 0.00 179.25 179.23 1cqg h LYS 36 N -0.70 0.41 -0.10 0.00 3.64 -0.06 0.08 116.57 119.84 1cqg h LYS 36 Ca -0.06 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 36 Cb 1.29 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1cqg h LYS 36 CO 0.07 0.27 0.11 1.98 -2.27 0.00 0.00 179.45 179.61 1cqg h MET 37 N 0.42 0.00 -0.01 1.90 4.05 -0.32 0.06 114.93 121.04 1cqg h MET 37 Ca 0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 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 -0.03 0.00 -0.07 -0.89 0.23 0.00 0.00 176.91 176.15 1cqg n ILE 38 N -3.94 0.00 0.20 1.77 5.41 0.01 -4.23 119.36 118.59 1cqg n ILE 38 Ca -0.00 -0.12 0.05 0.00 1.00 0.00 0.00 62.75 63.67 1cqg n ILE 38 Cb 0.21 0.09 0.49 0.00 -0.71 0.00 0.00 39.64 39.72 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 1.13 0.07 -0.87 0.38 2.10 -1.02 -3.10 116.57 115.24 1cqg h LYS 39 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1cqg h LYS 39 Cb 0.36 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.63 1cqg h LYS 39 CO 0.00 0.21 0.57 -1.35 -2.00 0.00 0.00 179.45 176.88 1cqg h PRO 40 N 0.07 1.16 -0.07 0.07 0.11 -1.79 0.55 132.00 132.09 1cqg h PRO 40 Ca 0.01 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1cqg h PRO 40 Cb 0.30 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1cqg h PRO 40 CO 0.02 0.77 -0.04 0.74 -0.21 0.00 0.00 178.00 179.28 1cqg h PHE 41 N 1.19 0.17 0.19 0.65 -1.00 -1.86 1.09 116.94 117.37 1cqg h PHE 41 Ca 0.32 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 1cqg h PHE 41 Cb -0.12 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.40 1cqg h PHE 41 CO -0.01 0.54 -0.09 0.35 -1.61 0.00 0.00 178.31 177.49 1cqg h PHE 42 N -0.24 -0.24 -0.43 -0.55 3.57 -1.50 0.10 116.94 117.65 1cqg h PHE 42 Ca 0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 42 Cb 0.49 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1cqg h PHE 42 CO 0.07 -0.11 0.04 1.25 -2.23 0.00 0.00 178.31 177.33 1cqg h HIS 43 N -0.30 0.80 -0.79 0.41 2.76 0.10 -3.09 115.15 115.04 1cqg h HIS 43 Ca -0.03 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 57.98 1cqg h HIS 43 Cb 0.23 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1cqg h HIS 43 CO -0.05 0.78 0.34 0.77 -1.30 0.00 0.00 177.93 178.47 1cqg h SER 44 N 0.59 1.06 0.17 3.26 0.02 0.14 -2.28 113.55 116.51 1cqg h SER 44 Ca 0.13 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1cqg h SER 44 Cb 0.43 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1cqg h SER 44 CO 0.02 0.92 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.55 1cqg h LEU 45 N 1.14 0.00 -1.04 5.07 3.38 -0.89 -2.02 115.31 120.95 1cqg h LEU 45 Ca 0.27 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.37 1cqg h LEU 45 Cb 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1cqg h LEU 45 CO -0.03 0.00 0.63 0.28 0.09 0.00 0.00 178.44 179.41 1cqg h SER 46 N 0.00 0.88 1.54 -0.43 0.02 -1.42 0.34 113.55 114.47 1cqg h SER 46 Ca -0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1cqg h SER 46 Cb 0.09 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1cqg h SER 46 CO 0.00 0.44 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.52 1cqg h GLU 47 N 0.93 0.00 0.03 3.45 4.39 -1.55 -2.61 114.58 119.22 1cqg h GLU 47 Ca 0.51 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.97 1cqg h GLU 47 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1cqg h GLU 47 CO -0.28 0.00 -1.02 -0.22 -1.16 0.00 0.00 179.01 176.33 1cqg h LYS 48 N 0.00 0.38 -2.18 2.33 3.64 -0.47 -3.33 116.57 116.94 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 0.91 0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.45 1cqg h LYS 48 CO 0.00 1.14 -0.71 0.66 -2.27 0.00 0.00 179.45 178.27 1cqg n TYR 49 N -3.70 3.03 0.22 1.91 4.01 0.46 -4.86 117.16 118.22 1cqg n TYR 49 Ca -0.07 -4.02 0.04 0.00 -0.16 0.00 0.00 57.90 53.68 1cqg n TYR 49 Cb 0.88 -0.51 0.17 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.63 0.05 -0.67 7.72 3.41 -0.99 -0.21 113.62 123.57 1cqg n SER 50 Ca 0.29 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.49 1cqg n SER 50 Cb 0.44 -0.53 0.22 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.57 1.97 -4.19 4.04 5.15 -1.26 -4.77 115.26 114.63 1cqg n ASN 51 Ca 0.01 -1.92 -0.23 0.00 -0.60 0.00 0.00 54.58 51.84 1cqg n ASN 51 Cb 0.08 -0.22 -0.14 0.00 -0.53 0.00 0.00 39.78 38.97 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 -1.57 1.38 -0.27 3.44 1.01 0.71 -4.36 120.40 120.75 1cqg s VAL 52 Ca 0.27 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1cqg s VAL 52 Cb 0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1cqg s VAL 52 CO 0.20 0.19 0.23 -0.63 0.00 0.00 0.00 175.10 175.09 1cqg s ILE 53 N -0.69 5.29 -0.21 2.22 -1.09 -0.86 -4.81 121.20 121.06 1cqg s ILE 53 Ca 0.05 0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.63 1cqg s ILE 53 Cb -0.08 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1cqg s ILE 53 CO 0.01 0.25 0.18 -0.36 -1.23 0.00 0.00 174.94 173.79 1cqg s PHE 54 N 1.66 3.38 0.04 3.97 0.40 -1.26 -1.31 117.98 124.86 1cqg s PHE 54 Ca 0.09 0.34 0.05 0.00 -0.60 0.00 0.00 56.93 56.81 1cqg s PHE 54 Cb -0.15 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1cqg s PHE 54 CO 0.09 0.18 -0.08 -0.51 0.70 0.00 0.00 175.22 175.61 1cqg s LEU 55 N 0.69 3.11 -0.12 -0.37 1.02 0.77 -3.03 118.68 120.75 1cqg s LEU 55 Ca 0.10 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1cqg s LEU 55 Cb -0.12 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 1cqg s LEU 55 CO 0.02 0.24 -0.17 -0.70 0.02 0.00 0.00 176.35 175.76 1cqg s GLU 56 N -1.71 3.27 -0.06 1.70 2.12 -1.01 -1.05 118.70 121.97 1cqg s GLU 56 Ca 0.19 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.80 1cqg s GLU 56 Cb -0.11 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1cqg s GLU 56 CO 0.10 0.20 -0.15 0.08 -0.54 0.00 0.00 175.26 174.94 1cqg s VAL 57 N 0.36 1.34 -0.29 3.70 1.01 0.19 -2.18 120.40 124.53 1cqg s VAL 57 Ca -0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1cqg s VAL 57 Cb -0.17 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1cqg s VAL 57 CO 0.07 0.40 0.29 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 58 N 0.32 6.13 0.59 3.32 -1.08 -1.26 -3.60 116.67 121.09 1cqg s ASP 58 Ca -0.09 0.03 0.37 0.00 -0.52 0.00 0.00 52.55 52.34 1cqg s ASP 58 Cb -0.14 -2.17 1.77 0.00 -1.46 0.00 0.00 42.92 40.93 1cqg s ASP 58 CO 0.03 -0.16 2.14 -0.37 0.52 0.00 0.00 175.17 177.34 1cqg h VAL 59 N 5.41 0.10 0.09 1.11 -1.51 -1.75 0.86 116.25 120.56 1cqg h VAL 59 Ca -0.33 -0.34 -0.36 0.00 -1.23 0.00 0.00 66.70 64.45 1cqg h VAL 59 Cb 1.17 1.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 1cqg h VAL 59 CO 0.61 0.02 -2.01 0.47 -1.23 0.00 0.00 177.57 175.44 1cqg n ASP 60 N -3.18 2.07 0.03 4.19 9.92 -1.26 -2.94 116.55 125.38 1cqg n ASP 60 Ca -0.01 0.18 0.09 0.00 -0.53 0.00 0.00 54.79 54.52 1cqg n ASP 60 Cb 0.21 -0.80 -0.10 0.00 -0.64 0.00 0.00 41.12 39.79 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 -3.58 0.39 -2.21 -2.24 8.00 -1.17 -4.21 116.55 111.52 1cqg n ASP 61 Ca -0.35 0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.06 1cqg n ASP 61 Cb 0.99 1.22 0.01 0.00 -0.02 0.00 0.00 41.12 43.32 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 -2.27 4.93 0.31 2.24 0.00 0.30 -4.80 120.51 121.23 1cqg n ALA 62 Ca -0.04 -3.92 0.21 0.00 0.00 0.00 0.00 53.44 49.68 1cqg n ALA 62 Cb 0.61 -0.42 1.07 0.00 0.00 0.00 0.00 19.45 20.71 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 2.34 0.00 -0.79 0.00 3.07 -1.41 -1.94 115.11 116.37 1cqg h GLN 63 Ca 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.03 1cqg h GLN 63 Cb 1.32 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.85 1cqg h GLN 63 CO 0.77 0.00 0.35 0.38 0.09 0.00 0.00 178.83 180.42 1cqg h ASP 64 N 0.00 1.07 -0.15 0.06 3.04 -1.87 0.42 116.42 118.99 1cqg h ASP 64 Ca 0.00 -0.15 -0.13 0.00 -3.24 0.00 0.00 57.03 53.50 1cqg h ASP 64 Cb 0.08 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.09 1cqg h ASP 64 CO 0.00 0.92 -0.43 0.58 -2.04 0.00 0.00 179.24 178.27 1cqg h VAL 65 N 1.14 1.35 -0.31 4.15 2.07 -1.71 -3.11 116.25 119.82 1cqg h VAL 65 Ca 0.27 -1.71 -0.17 0.00 0.82 0.00 0.00 66.70 65.91 1cqg h VAL 65 Cb 0.17 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1cqg h VAL 65 CO -0.03 0.52 -0.47 0.00 0.02 0.00 0.00 177.57 177.61 1cqg h ALA 66 N 0.54 0.57 -0.56 1.67 0.00 -1.45 -3.00 119.26 117.03 1cqg h ALA 66 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1cqg h ALA 66 Cb 1.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1cqg h ALA 66 CO 0.09 0.68 0.30 0.66 0.00 0.00 0.00 179.25 180.98 1cqg h SER 67 N 0.67 0.68 -0.66 0.00 4.64 -0.23 0.28 113.55 118.94 1cqg h SER 67 Ca 0.04 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1cqg h SER 67 Cb 1.06 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1cqg h SER 67 CO 0.11 0.56 0.12 -0.08 -0.87 0.00 0.00 176.83 176.67 1cqg h GLU 68 N 0.78 1.10 -0.01 4.77 4.22 -1.46 -2.37 114.58 121.61 1cqg h GLU 68 Ca 0.20 -0.28 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1cqg h GLU 68 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1cqg h GLU 68 CO -0.03 1.00 -0.08 0.00 -2.18 0.00 0.00 179.01 177.71 1cqg n ALA 69 N -2.47 2.74 -3.62 2.92 0.00 -0.67 -4.93 120.51 114.48 1cqg n ALA 69 Ca 0.05 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1cqg n ALA 69 Cb 0.28 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.75 -5.24 -1.92 0.00 -0.58 0.00 -4.86 120.64 107.29 1cqg n GLU 70 Ca 0.17 0.68 -0.42 0.00 -0.42 0.00 0.00 57.16 57.17 1cqg n GLU 70 Cb 0.27 -5.35 -0.02 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 -3.59 2.46 -0.55 2.62 1.01 -1.11 -4.88 120.40 116.36 1cqg s VAL 71 Ca 0.01 0.38 0.16 0.00 0.00 0.00 0.00 61.98 62.53 1cqg s VAL 71 Cb -0.00 -3.24 -0.19 0.00 0.00 0.00 0.00 36.38 32.94 1cqg s VAL 71 CO 0.79 0.05 0.59 0.29 0.00 0.00 0.00 175.10 176.82 1cqg n LYS 72 N 2.62 1.41 -3.49 2.72 5.02 -1.26 -5.02 118.16 120.16 1cqg n LYS 72 Ca 0.09 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1cqg n LYS 72 Cb 0.39 -1.29 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cqg s ALA 73 N -2.67 -1.73 0.12 7.82 0.00 -1.26 -5.18 121.76 118.86 1cqg s ALA 73 Ca 0.03 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1cqg s ALA 73 Cb 0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1cqg s ALA 73 CO 0.66 -0.57 -0.15 0.95 0.00 0.00 0.00 175.76 176.65 1cqg s THR 74 N -2.49 1.38 0.33 0.00 -4.23 -1.26 -4.13 115.64 105.23 1cqg s THR 74 Ca -0.03 -1.72 -0.27 0.00 -1.18 0.00 0.00 61.69 58.50 1cqg s THR 74 Cb -0.01 -1.55 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 1cqg s THR 74 CO -0.03 -0.39 1.02 -2.16 -0.54 0.00 0.00 174.62 172.52 1cqg s PRO 75 N -2.64 4.50 -0.04 3.99 0.04 -1.26 -4.91 135.00 134.67 1cqg s PRO 75 Ca 0.09 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.70 1cqg s PRO 75 Cb -0.05 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1cqg s PRO 75 CO 0.03 0.15 -0.12 0.99 0.04 0.00 0.00 177.00 178.10 1cqg s THR 76 N -1.45 1.01 -0.15 1.26 2.01 -1.26 -2.94 115.64 114.12 1cqg s THR 76 Ca 0.50 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1cqg s THR 76 Cb -0.24 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1cqg s THR 76 CO 0.31 0.31 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 1cqg s PHE 77 N 0.23 2.96 -0.02 4.92 0.08 -0.47 -1.00 117.98 124.68 1cqg s PHE 77 Ca -0.05 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1cqg s PHE 77 Cb -0.11 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1cqg s PHE 77 CO 0.01 -0.08 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.16 1cqg s GLN 78 N 0.33 2.01 -0.13 0.44 -0.21 -0.41 -1.68 119.66 120.01 1cqg s GLN 78 Ca -0.06 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 1cqg s GLN 78 Cb -0.15 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 1cqg s GLN 78 CO 0.04 0.53 0.02 -0.06 -2.12 0.00 0.00 175.29 173.70 1cqg s PHE 79 N -0.57 3.20 0.04 0.91 0.40 0.14 -0.20 117.98 121.88 1cqg s PHE 79 Ca 0.09 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.56 1cqg s PHE 79 Cb -0.10 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1cqg s PHE 79 CO -0.01 0.30 -0.15 -0.06 0.70 0.00 0.00 175.22 176.00 1cqg s PHE 80 N -0.27 1.30 -0.14 0.36 0.40 0.80 -1.08 117.98 119.34 1cqg s PHE 80 Ca 0.07 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1cqg s PHE 80 Cb -0.12 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.69 1cqg s PHE 80 CO 0.02 0.04 0.33 0.21 0.70 0.00 0.00 175.22 176.52 1cqg s LYS 81 N -1.17 0.31 -1.56 0.44 2.20 0.12 -1.44 119.74 118.64 1cqg s LYS 81 Ca 0.02 0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1cqg s LYS 81 Cb -0.08 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1cqg s LYS 81 CO 0.01 -0.15 0.01 1.63 -0.36 0.00 0.00 175.35 176.50 1cqg n LYS 82 N 4.09 -1.90 -1.11 4.03 5.02 -1.23 -0.57 118.16 126.49 1cqg n LYS 82 Ca -0.23 0.88 -0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1cqg n LYS 82 Cb 0.55 -5.53 -0.02 0.00 -0.02 0.00 0.00 35.03 30.01 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 -0.96 0.68 3.17 0.72 0.00 -1.26 -5.02 105.19 102.52 1cqg n GLY 83 Ca -0.21 -0.71 -0.23 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 -2.07 1.22 0.04 1.61 -0.21 0.26 -5.12 119.66 115.40 1cqg s GLN 84 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 1cqg s GLN 84 Cb 0.00 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 1cqg s GLN 84 CO 0.00 0.32 0.97 0.21 -2.12 0.00 0.00 175.29 174.68 1cqg s LYS 85 N -0.80 4.60 -0.01 2.91 2.20 -1.26 0.13 119.74 127.51 1cqg s LYS 85 Ca 0.05 1.43 0.02 0.00 -0.36 0.00 0.00 55.97 57.11 1cqg s LYS 85 Cb -0.07 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1cqg s LYS 85 CO 0.01 0.04 0.98 1.33 -0.36 0.00 0.00 175.35 177.34 1cqg n VAL 86 N 3.53 1.01 0.00 4.02 0.24 -0.24 -4.92 118.33 121.96 1cqg n VAL 86 Ca 0.05 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 1cqg n VAL 86 Cb 0.50 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.56 2.09 3.56 7.63 0.00 -1.24 -4.94 105.19 111.73 1cqg n GLY 87 Ca 0.02 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 0.77 0.10 1.61 -6.30 -1.26 -0.69 118.70 110.93 1cqg s GLU 88 Ca 0.00 0.23 -0.25 0.00 -2.50 0.00 0.00 54.97 52.45 1cqg s GLU 88 Cb 0.00 0.36 0.08 0.00 0.00 0.00 0.00 34.13 34.57 1cqg s GLU 88 CO 0.00 -0.23 0.72 -0.59 0.02 0.00 0.00 175.26 175.18 1cqg s PHE 89 N -1.03 -0.45 0.27 5.30 -0.12 -0.68 -5.02 117.98 116.26 1cqg s PHE 89 Ca -0.05 0.25 0.06 0.00 -0.05 0.00 0.00 56.93 57.15 1cqg s PHE 89 Cb -0.01 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.89 1cqg s PHE 89 CO 0.04 -0.75 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.87 1cqg s SER 90 N -2.66 2.66 0.00 1.98 1.04 -1.26 -1.37 113.70 114.09 1cqg s SER 90 Ca 0.03 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.27 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 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1cqg n GLY 91 N -0.57 3.49 2.48 7.32 0.00 -1.15 -4.87 105.19 111.89 1cqg n GLY 91 Ca -0.05 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 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 6.62 -3.89 4.61 0.00 -1.26 -4.80 120.51 121.58 1cqg n ALA 92 Ca 0.00 -3.46 -0.33 0.00 0.00 0.00 0.00 53.44 49.65 1cqg n ALA 92 Cb 0.00 -3.39 -0.13 0.00 0.00 0.00 0.00 19.45 15.93 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 2.67 4.93 0.29 0.00 3.04 -1.26 -4.96 114.94 119.65 1cqg s ASN 93 Ca 0.61 -2.33 0.06 0.00 0.04 0.00 0.00 52.86 51.24 1cqg s ASN 93 Cb 0.16 -1.73 0.44 0.00 -1.54 0.00 0.00 41.25 38.58 1cqg s ASN 93 CO -0.06 -0.41 1.69 0.07 -3.04 0.00 0.00 177.10 175.35 1cqg h LYS 94 N 7.53 0.26 -0.00 0.43 -0.00 -1.97 -2.83 116.57 119.98 1cqg h LYS 94 Ca -0.07 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.65 60.41 1cqg h LYS 94 Cb 1.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.63 0.63 -0.19 0.93 -0.00 0.00 0.00 179.45 181.45 1cqg h GLU 95 N 0.22 0.01 -0.55 0.07 4.39 -2.00 -2.19 114.58 114.52 1cqg h GLU 95 Ca 0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.82 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1cqg h GLU 95 CO 0.06 0.20 0.29 -0.22 -1.16 0.00 0.00 179.01 178.19 1cqg h LYS 96 N 0.01 0.76 -0.95 2.33 3.64 -1.93 -1.51 116.57 118.92 1cqg h LYS 96 Ca -0.00 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.34 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1cqg h LYS 96 CO 0.03 0.57 0.63 -0.07 -2.27 0.00 0.00 179.45 178.34 1cqg h LEU 97 N 0.77 1.07 -0.59 5.20 3.38 -1.49 -2.08 115.31 121.57 1cqg h LEU 97 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1cqg h LEU 97 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1cqg h LEU 97 CO -0.03 0.76 0.28 -0.08 0.09 0.00 0.00 178.44 179.46 1cqg h GLU 98 N 1.26 0.86 -0.22 1.13 4.81 -1.33 -1.22 114.58 119.87 1cqg h GLU 98 Ca 0.36 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1cqg h GLU 98 Cb -0.09 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1cqg h GLU 98 CO -0.09 0.69 -0.24 0.00 -0.73 0.00 0.00 179.01 178.64 1cqg h ALA 99 N 1.12 0.32 -0.75 2.92 0.00 -1.31 -2.37 119.26 119.20 1cqg h ALA 99 Ca 0.20 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1cqg h ALA 99 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 99 CO -0.03 0.29 0.24 1.15 0.00 0.00 0.00 179.25 180.91 1cqg h THR 100 N 0.24 1.26 0.00 0.00 2.02 -1.30 0.27 112.91 115.40 1cqg h THR 100 Ca 0.03 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1cqg h THR 100 Cb 0.80 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1cqg h THR 100 CO 0.06 0.36 -0.00 0.40 0.37 0.00 0.00 175.52 176.71 1cqg h ILE 101 N 1.11 1.05 -0.50 3.11 2.04 -1.22 0.70 117.51 123.79 1cqg h ILE 101 Ca 0.24 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1cqg h ILE 101 Cb 0.30 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1cqg h ILE 101 CO -0.01 0.04 0.32 -1.13 0.00 0.00 0.00 178.15 177.37 1cqg h ASN 102 N -0.07 0.59 -0.39 1.72 -0.73 -1.13 0.94 115.58 116.51 1cqg h ASN 102 Ca -0.00 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.03 1cqg h ASN 102 Cb 0.07 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1cqg h ASN 102 CO 0.00 0.44 -0.19 -0.08 -0.37 0.00 0.00 177.43 177.23 1cqg h GLU 103 N 0.69 0.88 -0.02 6.67 4.22 0.55 -3.14 114.58 124.44 1cqg h GLU 103 Ca 0.18 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1cqg h GLU 103 Cb -0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1cqg h GLU 103 CO -0.04 1.00 -0.40 1.28 -2.18 0.00 0.00 179.01 178.67 1cqg n LEU 104 N -4.12 2.08 0.00 1.64 4.77 0.14 -5.08 117.00 116.43 1cqg n LEU 104 Ca 0.01 -0.75 0.04 0.00 -0.03 0.00 0.00 56.01 55.27 1cqg n LEU 104 Cb 0.43 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 1cqg n LEU 104 CO 0.45 0.38 0.44 0.55 -1.33 0.00 0.00 177.39 177.88