#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 -0.06 2.03 1.01 -1.26 -4.16 120.40 123.37 1cqg s VAL 2 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1cqg s VAL 2 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1cqg s VAL 2 CO 0.00 0.40 -0.10 -0.75 0.00 0.00 0.00 175.10 174.65 1cqg s LYS 3 N -1.68 1.51 -0.25 2.72 2.47 -1.13 -5.06 119.74 118.32 1cqg s LYS 3 Ca 0.25 -0.34 -0.12 0.00 -1.56 0.00 0.00 55.97 54.20 1cqg s LYS 3 Cb -0.13 -1.30 -0.05 0.00 -1.46 0.00 0.00 37.83 34.89 1cqg s LYS 3 CO 0.15 -0.02 0.22 -1.14 0.16 0.00 0.00 175.35 174.72 1cqg s GLN 4 N 0.79 4.04 -0.35 4.03 0.74 -1.26 -2.42 119.66 125.23 1cqg s GLN 4 Ca -0.12 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 54.96 1cqg s GLN 4 Cb -0.15 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 1cqg s GLN 4 CO 0.02 -0.05 0.24 0.42 -0.55 0.00 0.00 175.29 175.36 1cqg s ILE 5 N 1.39 5.15 -2.84 -2.34 -1.09 -1.12 -4.92 121.20 115.44 1cqg s ILE 5 Ca 0.09 -0.36 0.25 0.00 -2.23 0.00 0.00 60.65 58.41 1cqg s ILE 5 Cb -0.15 -3.70 0.28 0.00 -1.58 0.00 0.00 42.46 37.32 1cqg s ILE 5 CO 0.07 -0.07 1.39 -0.62 -1.23 0.00 0.00 174.94 174.49 1cqg n GLU 6 N 5.09 2.12 -3.66 2.79 4.71 -1.26 -4.47 120.64 125.96 1cqg n GLU 6 Ca -0.12 -1.64 -0.12 0.00 -0.01 0.00 0.00 57.16 55.26 1cqg n GLU 6 Cb 0.49 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.40 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 -2.01 -0.26 0.41 1.62 1.04 -1.26 -4.47 113.70 108.76 1cqg s SER 7 Ca 0.31 -0.10 0.12 0.00 0.48 0.00 0.00 55.95 56.75 1cqg s SER 7 Cb 0.20 0.44 0.85 0.00 0.10 0.00 0.00 66.02 67.61 1cqg s SER 7 CO 0.32 -0.72 1.93 0.50 0.98 0.00 0.00 173.24 176.24 1cqg h LYS 8 N 2.82 0.11 -0.14 4.02 3.64 -1.92 -1.63 116.57 123.46 1cqg h LYS 8 Ca -0.32 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1cqg h LYS 8 CO 0.45 0.31 0.02 1.15 -2.27 0.00 0.00 179.45 179.10 1cqg h THR 9 N 0.10 0.92 0.00 1.00 2.02 -1.99 -0.89 112.91 114.07 1cqg h THR 9 Ca 0.02 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1cqg h THR 9 Cb 0.41 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1cqg h THR 9 CO 0.03 0.01 -0.43 0.00 0.37 0.00 0.00 175.52 175.50 1cqg h ALA 10 N 1.11 1.24 -0.60 6.16 0.00 -1.88 -2.71 119.26 122.58 1cqg h ALA 10 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 10 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cqg h ALA 10 CO -0.09 0.53 0.39 0.35 0.00 0.00 0.00 179.25 180.43 1cqg h PHE 11 N 0.00 0.74 -0.40 0.00 3.57 -0.24 0.38 116.94 120.99 1cqg h PHE 11 Ca -0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 11 Cb 0.78 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1cqg h PHE 11 CO 0.00 0.45 -0.06 1.96 -2.23 0.00 0.00 178.31 178.44 1cqg h GLN 12 N 0.79 0.75 -0.49 1.11 1.08 -1.05 -1.88 115.11 115.41 1cqg h GLN 12 Ca 0.22 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1cqg h GLN 12 Cb -0.07 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1cqg h GLN 12 CO -0.06 0.86 0.08 0.93 -0.95 0.00 0.00 178.83 179.69 1cqg h GLU 13 N 0.57 0.77 -0.36 1.46 4.39 -1.10 -1.99 114.58 118.31 1cqg h GLU 13 Ca 0.11 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1cqg h GLU 13 Cb 0.56 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1cqg h GLU 13 CO 0.03 0.73 -0.14 0.00 -1.16 0.00 0.00 179.01 178.47 1cqg h ALA 14 N 1.35 0.50 -0.95 3.43 0.00 -0.04 0.50 119.26 124.05 1cqg h ALA 14 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 14 Cb 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1cqg h ALA 14 CO 0.01 0.40 0.58 -0.07 0.00 0.00 0.00 179.25 180.16 1cqg h LEU 15 N 0.52 1.15 -0.62 0.00 3.38 -1.07 0.12 115.31 118.78 1cqg h LEU 15 Ca 0.08 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1cqg h LEU 15 Cb 0.67 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1cqg h LEU 15 CO 0.05 0.88 -0.42 -0.78 0.09 0.00 0.00 178.44 178.26 1cqg h ASP 16 N 1.32 0.65 -0.21 -0.43 1.82 -1.11 -3.05 116.42 115.41 1cqg h ASP 16 Ca 0.34 -0.30 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1cqg h ASP 16 Cb -0.06 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1cqg h ASP 16 CO -0.06 0.99 -0.27 0.00 -1.61 0.00 0.00 179.24 178.28 1cqg h ALA 17 N 1.04 0.89 0.00 -0.78 0.00 -0.05 -2.67 119.26 117.70 1cqg h ALA 17 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1cqg h ALA 17 Cb 0.93 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 17 CO 0.08 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.84 1cqg h ALA 18 N 1.10 1.56 -0.64 0.00 0.00 -0.90 -3.47 119.26 116.92 1cqg h ALA 18 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cqg h ALA 18 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cqg h ALA 18 CO 0.06 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1cqg n GLY 19 N -1.02 2.47 0.83 0.00 0.00 -1.01 -2.16 105.19 104.31 1cqg n GLY 19 Ca -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 5.90 2.46 -4.80 1.61 8.00 -1.26 -3.57 116.55 124.88 1cqg n ASP 20 Ca 0.00 -1.91 -0.34 0.00 0.71 0.00 0.00 54.79 53.25 1cqg n ASP 20 Cb 0.00 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.51 3.86 0.75 -1.24 1.02 -0.92 -4.78 119.74 116.94 1cqg s LYS 21 Ca 0.33 1.33 -0.15 0.00 0.02 0.00 0.00 55.97 57.51 1cqg s LYS 21 Cb 0.18 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 35.43 1cqg s LYS 21 CO 0.25 -0.37 1.24 -1.17 -0.92 0.00 0.00 175.35 174.37 1cqg s LEU 22 N -3.43 3.29 -0.11 3.17 0.20 -1.26 -4.61 118.68 115.92 1cqg s LEU 22 Ca 0.66 2.47 -0.04 0.00 0.69 0.00 0.00 54.13 57.92 1cqg s LEU 22 Cb -0.16 -4.60 0.06 0.00 -0.43 0.00 0.00 46.19 41.06 1cqg s LEU 22 CO 0.19 -2.47 0.16 -0.69 -0.29 0.00 0.00 176.35 173.26 1cqg s VAL 23 N -1.88 -0.25 -0.10 1.68 1.01 -0.94 -1.99 120.40 117.93 1cqg s VAL 23 Ca 0.77 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.94 1cqg s VAL 23 Cb -0.32 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1cqg s VAL 23 CO 0.47 0.05 0.05 -0.69 0.00 0.00 0.00 175.10 174.98 1cqg s VAL 24 N 2.28 4.75 -0.14 2.92 1.01 -0.53 -0.58 120.40 130.11 1cqg s VAL 24 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.96 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 -0.07 0.60 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 1cqg s VAL 25 N -0.84 1.88 -0.39 2.92 1.01 0.11 -0.52 120.40 124.57 1cqg s VAL 25 Ca 0.13 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1cqg s VAL 25 Cb -0.12 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1cqg s VAL 25 CO 0.03 0.51 0.24 -0.62 0.00 0.00 0.00 175.10 175.26 1cqg s ASP 26 N 1.06 5.88 -0.57 3.32 2.15 0.27 -0.61 116.67 128.18 1cqg s ASP 26 Ca -0.02 -0.97 -0.22 0.00 0.43 0.00 0.00 52.55 51.77 1cqg s ASP 26 Cb -0.14 -2.08 0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1cqg s ASP 26 CO -0.06 -0.41 0.82 -0.36 -0.17 0.00 0.00 175.17 174.99 1cqg s PHE 27 N 1.60 2.87 0.05 -5.34 0.08 0.82 -0.63 117.98 117.43 1cqg s PHE 27 Ca 0.03 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.73 1cqg s PHE 27 Cb -0.19 -3.95 -0.02 0.00 -0.57 0.00 0.00 43.02 38.29 1cqg s PHE 27 CO 0.08 -1.31 -0.14 -1.12 -0.10 0.00 0.00 175.22 172.62 1cqg s SER 28 N 3.06 1.70 -0.21 1.36 0.01 -0.74 -1.38 113.70 117.50 1cqg s SER 28 Ca 0.22 -0.51 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 1cqg s SER 28 Cb -0.17 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1cqg s SER 28 CO 0.13 0.01 0.80 0.00 0.41 0.00 0.00 173.24 174.59 1cqg s ALA 29 N -0.97 3.59 0.35 1.44 0.00 -1.26 -3.64 121.76 121.27 1cqg s ALA 29 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.94 1cqg s ALA 29 Cb -0.08 -3.22 0.67 0.00 0.00 0.00 0.00 23.12 20.48 1cqg s ALA 29 CO 0.02 -0.79 1.85 0.00 0.00 0.00 0.00 175.76 176.84 1cqg h THR 30 N 5.32 1.22 0.00 0.00 1.03 -1.96 -1.74 112.91 116.79 1cqg h THR 30 Ca -0.26 -1.01 -0.06 0.00 -0.01 0.00 0.00 66.41 65.07 1cqg h THR 30 Cb 1.11 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 69.52 1cqg h THR 30 CO 0.84 0.31 -0.30 4.11 -0.01 0.00 0.00 175.52 180.48 1cqg h TRP 31 N 0.24 0.00 -3.36 0.00 5.08 -2.03 -3.42 115.95 112.47 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 0.50 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.58 1cqg h TRP 31 CO 0.01 0.30 0.63 0.00 -1.28 0.00 0.00 178.44 178.10 1cqg h GLY 33 N 9.77 -0.28 0.55 0.00 0.00 -1.83 -1.92 103.07 109.36 1cqg h GLY 33 Ca -0.22 0.10 0.18 0.00 0.00 0.00 0.00 47.33 47.39 1cqg h GLY 33 CO 0.96 -0.10 0.53 -2.55 0.00 0.00 0.00 176.54 175.38 1cqg h PRO 34 N -0.30 0.28 0.04 4.80 0.11 -1.93 0.23 132.00 135.23 1cqg h PRO 34 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1cqg h PRO 34 Cb 0.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1cqg h PRO 34 CO 0.04 0.19 -0.02 0.00 -0.21 0.00 0.00 178.00 178.00 1cqg h ALA 35 N 1.64 -0.06 -0.67 -0.75 0.00 -1.77 -3.17 119.26 114.48 1cqg h ALA 35 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cqg h ALA 35 Cb 1.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1cqg h ALA 35 CO -0.10 -0.10 0.44 -0.22 0.00 0.00 0.00 179.25 179.26 1cqg h LYS 36 N -0.91 0.89 -0.03 0.00 3.64 -0.96 -1.25 116.57 117.95 1cqg h LYS 36 Ca -0.01 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 36 Cb 0.66 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1cqg h LYS 36 CO 0.01 0.60 0.02 1.98 -2.27 0.00 0.00 179.45 179.79 1cqg h MET 37 N 0.92 0.00 -0.00 1.90 4.05 -0.63 0.19 114.93 121.35 1cqg h MET 37 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1cqg h MET 37 Cb -0.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1cqg h MET 37 CO -0.05 0.00 -0.00 -0.89 0.23 0.00 0.00 176.91 176.19 1cqg n ILE 38 N -4.25 0.00 0.25 1.77 5.41 -0.47 -4.12 119.36 117.94 1cqg n ILE 38 Ca -0.02 -0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.80 1cqg n ILE 38 Cb 0.12 -0.48 0.60 0.00 -0.71 0.00 0.00 39.64 39.17 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 0.03 0.00 -0.96 0.38 2.10 -0.99 -3.18 116.57 113.96 1cqg h LYS 39 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1cqg h LYS 39 Cb 0.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.48 1cqg h LYS 39 CO 0.00 0.05 0.63 -1.35 -2.00 0.00 0.00 179.45 176.78 1cqg h PRO 40 N 0.00 1.21 -0.14 0.07 0.11 -1.80 0.64 132.00 132.09 1cqg h PRO 40 Ca -0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1cqg h PRO 40 Cb 0.09 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1cqg h PRO 40 CO 0.01 0.80 -0.06 0.74 -0.21 0.00 0.00 178.00 179.28 1cqg h PHE 41 N 1.24 0.32 0.07 0.65 -1.00 -1.88 0.76 116.94 117.10 1cqg h PHE 41 Ca 0.37 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 61.07 1cqg h PHE 41 Cb -0.06 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1cqg h PHE 41 CO -0.01 0.60 -0.03 0.35 -1.61 0.00 0.00 178.31 177.61 1cqg h PHE 42 N -0.05 -0.08 -0.50 -0.55 3.57 -1.57 -0.76 116.94 117.00 1cqg h PHE 42 Ca 0.03 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 42 Cb 0.51 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1cqg h PHE 42 CO 0.06 0.07 -0.05 1.25 -2.23 0.00 0.00 178.31 177.41 1cqg h HIS 43 N -0.22 1.02 -0.63 0.41 2.76 0.30 -3.00 115.15 115.79 1cqg h HIS 43 Ca -0.01 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 57.92 1cqg h HIS 43 Cb 0.19 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1cqg h HIS 43 CO -0.03 0.96 0.23 0.77 -1.30 0.00 0.00 177.93 178.56 1cqg h SER 44 N 0.78 0.86 0.15 3.26 0.02 0.66 -2.27 113.55 117.01 1cqg h SER 44 Ca 0.14 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1cqg h SER 44 Cb 0.59 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1cqg h SER 44 CO 0.04 0.79 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.38 1cqg h LEU 45 N 0.92 0.00 -1.06 5.07 3.38 -0.99 -2.24 115.31 120.38 1cqg h LEU 45 Ca 0.21 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1cqg h LEU 45 Cb 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 1cqg h LEU 45 CO -0.02 0.06 0.61 0.28 0.09 0.00 0.00 178.44 179.47 1cqg h SER 46 N 0.00 0.76 1.30 -0.43 0.02 -1.40 0.73 113.55 114.52 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 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1cqg h SER 46 CO 0.01 0.28 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.27 1cqg h GLU 47 N 0.74 0.00 0.13 3.45 3.07 -1.57 -2.77 114.58 117.62 1cqg h GLU 47 Ca 0.57 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.15 1cqg h GLU 47 Cb 0.91 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1cqg h GLU 47 CO -0.36 0.00 -1.23 -0.22 -1.40 0.00 0.00 179.01 175.81 1cqg h LYS 48 N 0.00 0.39 -2.18 2.33 3.64 0.37 -3.35 116.57 117.77 1cqg h LYS 48 Ca 0.00 -0.59 -0.58 0.00 -1.27 0.00 0.00 60.65 58.21 1cqg h LYS 48 Cb 0.84 0.21 -0.41 0.00 -0.41 0.00 0.00 32.23 32.45 1cqg h LYS 48 CO 0.00 1.26 -0.72 0.66 -2.27 0.00 0.00 179.45 178.38 1cqg n TYR 49 N -3.64 3.03 0.09 1.91 4.01 0.57 -4.87 117.16 118.27 1cqg n TYR 49 Ca -0.10 -4.01 0.01 0.00 -0.16 0.00 0.00 57.90 53.64 1cqg n TYR 49 Cb 1.00 -0.50 0.06 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.53 0.00 -0.67 7.72 3.41 -1.05 0.09 113.62 123.66 1cqg n SER 50 Ca 0.29 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 1cqg n SER 50 Cb 0.44 -0.49 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.49 1.94 -4.19 4.04 5.15 -1.26 -4.73 115.26 114.72 1cqg n ASN 51 Ca 0.01 -1.95 -0.23 0.00 -0.60 0.00 0.00 54.58 51.80 1cqg n ASN 51 Cb 0.03 -0.23 -0.14 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 -1.55 1.38 -0.26 3.44 1.01 0.11 -4.46 120.40 120.08 1cqg s VAL 52 Ca 0.26 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1cqg s VAL 52 Cb 0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1cqg s VAL 52 CO 0.18 0.13 0.18 -0.63 0.00 0.00 0.00 175.10 174.96 1cqg s ILE 53 N -0.79 5.34 -0.22 2.22 -1.09 -0.84 -4.72 121.20 121.10 1cqg s ILE 53 Ca 0.05 0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1cqg s ILE 53 Cb -0.08 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1cqg s ILE 53 CO 0.01 0.30 0.08 -0.36 -1.23 0.00 0.00 174.94 173.75 1cqg s PHE 54 N 1.38 3.18 -0.06 3.97 0.40 -1.26 -1.45 117.98 124.13 1cqg s PHE 54 Ca 0.07 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1cqg s PHE 54 Cb -0.15 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1cqg s PHE 54 CO 0.07 -0.08 -0.09 -0.51 0.70 0.00 0.00 175.22 175.31 1cqg s LEU 55 N 1.03 3.07 -0.13 -0.37 1.02 0.33 -2.84 118.68 120.78 1cqg s LEU 55 Ca 0.05 -0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 1cqg s LEU 55 Cb -0.14 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1cqg s LEU 55 CO 0.03 0.35 -0.07 -0.70 0.02 0.00 0.00 176.35 175.99 1cqg s GLU 56 N -0.84 3.42 -0.04 1.70 2.12 -1.02 -0.57 118.70 123.48 1cqg s GLU 56 Ca 0.13 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.94 1cqg s GLU 56 Cb -0.11 -2.78 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 1cqg s GLU 56 CO 0.02 0.32 -0.18 0.08 -0.54 0.00 0.00 175.26 174.96 1cqg s VAL 57 N 0.12 1.47 -0.29 3.70 1.01 0.20 -2.78 120.40 123.82 1cqg s VAL 57 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1cqg s VAL 57 Cb -0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1cqg s VAL 57 CO 0.03 0.42 0.33 -0.62 0.00 0.00 0.00 175.10 175.26 1cqg s ASP 58 N -0.05 6.18 0.53 3.32 -1.08 -1.26 -1.78 116.67 122.53 1cqg s ASP 58 Ca -0.02 0.09 0.34 0.00 -0.52 0.00 0.00 52.55 52.45 1cqg s ASP 58 Cb -0.11 -2.19 1.52 0.00 -1.46 0.00 0.00 42.92 40.68 1cqg s ASP 58 CO 0.02 -0.19 2.02 -0.37 0.52 0.00 0.00 175.17 177.16 1cqg h VAL 59 N 5.42 0.00 0.06 1.11 -1.51 -1.81 0.85 116.25 120.38 1cqg h VAL 59 Ca -0.32 -0.37 -0.36 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.16 1.32 -0.04 0.00 -2.13 0.00 0.00 31.29 31.61 1cqg h VAL 59 CO 0.63 0.00 -2.07 0.47 -1.23 0.00 0.00 177.57 175.37 1cqg n ASP 60 N -2.96 2.04 0.03 4.19 9.92 -1.26 -2.80 116.55 125.70 1cqg n ASP 60 Ca 0.00 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1cqg n ASP 60 Cb 0.25 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 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 -3.63 0.59 -1.96 -2.24 8.00 -1.19 -4.03 116.55 112.09 1cqg n ASP 61 Ca -0.38 -0.12 -0.15 0.00 0.71 0.00 0.00 54.79 54.84 1cqg n ASP 61 Cb 0.96 0.86 0.05 0.00 -0.02 0.00 0.00 41.12 42.98 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 0.34 2.24 0.00 0.29 -4.79 120.51 121.05 1cqg n ALA 62 Ca 0.01 -3.52 0.23 0.00 0.00 0.00 0.00 53.44 50.16 1cqg n ALA 62 Cb 0.46 -0.43 1.21 0.00 0.00 0.00 0.00 19.45 20.70 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 2.06 0.00 -0.69 0.00 3.07 -1.43 -1.15 115.11 116.97 1cqg h GLN 63 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.91 1cqg h GLN 63 Cb 1.44 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.97 1cqg h GLN 63 CO 0.55 0.00 0.21 0.38 0.09 0.00 0.00 178.83 180.06 1cqg h ASP 64 N 0.00 1.00 -0.11 0.06 3.04 -1.86 0.44 116.42 118.99 1cqg h ASP 64 Ca 0.00 -0.19 -0.15 0.00 -3.24 0.00 0.00 57.03 53.45 1cqg h ASP 64 Cb 0.01 -0.26 0.01 0.00 -1.04 0.00 0.00 39.33 38.04 1cqg h ASP 64 CO -0.00 0.94 -0.53 0.58 -2.04 0.00 0.00 179.24 178.20 1cqg h VAL 65 N 1.03 1.36 -0.46 4.15 2.07 -1.56 -3.05 116.25 119.78 1cqg h VAL 65 Ca 0.22 -1.84 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 1cqg h VAL 65 Cb 0.30 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1cqg h VAL 65 CO -0.01 0.56 -0.25 0.00 0.02 0.00 0.00 177.57 177.88 1cqg h ALA 66 N 0.48 0.65 -0.76 1.67 0.00 -1.35 -2.49 119.26 117.46 1cqg h ALA 66 Ca -0.04 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cqg h ALA 66 Cb 1.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1cqg h ALA 66 CO 0.11 0.67 0.50 0.66 0.00 0.00 0.00 179.25 181.19 1cqg h SER 67 N 0.84 0.88 -0.27 0.00 4.64 -0.18 0.21 113.55 119.67 1cqg h SER 67 Ca 0.10 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1cqg h SER 67 Cb 0.84 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1cqg h SER 67 CO 0.07 0.64 -0.10 -0.08 -0.87 0.00 0.00 176.83 176.50 1cqg h GLU 68 N 1.04 0.67 -0.01 4.77 4.81 -1.40 -2.53 114.58 121.94 1cqg h GLU 68 Ca 0.28 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1cqg h GLU 68 Cb -0.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1cqg h GLU 68 CO -0.06 0.76 -0.09 0.00 -0.73 0.00 0.00 179.01 178.89 1cqg n ALA 69 N -2.48 2.75 -3.76 2.92 0.00 -0.28 -4.94 120.51 114.72 1cqg n ALA 69 Ca 0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1cqg n ALA 69 Cb 0.34 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -4.56 -1.98 0.00 4.71 0.58 -4.84 120.64 114.17 1cqg n GLU 70 Ca 0.17 0.57 -0.42 0.00 -0.01 0.00 0.00 57.16 57.48 1cqg n GLU 70 Cb 0.31 -5.04 -0.03 0.00 -1.01 0.00 0.00 31.44 25.68 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 -3.73 2.67 -0.57 2.62 1.01 -1.13 -4.87 120.40 116.39 1cqg s VAL 71 Ca 0.00 0.51 0.17 0.00 0.00 0.00 0.00 61.98 62.66 1cqg s VAL 71 Cb -0.00 -3.33 -0.20 0.00 0.00 0.00 0.00 36.38 32.85 1cqg s VAL 71 CO 0.83 0.06 0.62 0.29 0.00 0.00 0.00 175.10 176.89 1cqg n LYS 72 N 3.32 1.23 -3.50 2.72 4.76 -1.26 -5.02 118.16 120.41 1cqg n LYS 72 Ca 0.11 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.38 1cqg n LYS 72 Cb 0.39 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.74 -1.76 0.11 7.82 0.00 -1.26 -5.18 121.76 118.75 1cqg s ALA 73 Ca 0.03 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.08 1cqg s ALA 73 Cb 0.12 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1cqg s ALA 73 CO 0.69 -0.57 -0.14 0.95 0.00 0.00 0.00 175.76 176.70 1cqg s THR 74 N -2.48 1.26 0.35 0.00 -4.23 -1.26 -4.13 115.64 105.15 1cqg s THR 74 Ca -0.01 -1.66 -0.26 0.00 -1.18 0.00 0.00 61.69 58.57 1cqg s THR 74 Cb -0.01 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.28 1cqg s THR 74 CO -0.04 -0.42 1.04 -2.16 -0.54 0.00 0.00 174.62 172.51 1cqg s PRO 75 N -2.59 4.39 -0.03 3.99 0.04 -1.26 -4.92 135.00 134.61 1cqg s PRO 75 Ca 0.07 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1cqg s PRO 75 Cb -0.05 -2.78 -0.00 0.00 0.04 0.00 0.00 34.50 31.70 1cqg s PRO 75 CO 0.02 0.05 -0.14 0.99 0.04 0.00 0.00 177.00 177.97 1cqg s THR 76 N -1.50 1.15 -0.16 1.26 2.01 -0.48 -3.05 115.64 114.87 1cqg s THR 76 Ca 0.52 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1cqg s THR 76 Cb -0.24 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1cqg s THR 76 CO 0.31 0.34 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.19 1cqg s PHE 77 N 0.07 3.06 -0.05 4.92 0.40 -0.60 -0.12 117.98 125.65 1cqg s PHE 77 Ca -0.03 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 1cqg s PHE 77 Cb -0.10 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 1cqg s PHE 77 CO 0.01 -0.02 -0.22 -0.65 0.70 0.00 0.00 175.22 175.04 1cqg s GLN 78 N 0.39 2.18 -0.14 0.44 -0.21 0.22 -1.86 119.66 120.68 1cqg s GLN 78 Ca -0.03 -0.80 -0.05 0.00 0.02 0.00 0.00 55.36 54.50 1cqg s GLN 78 Cb -0.14 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 1cqg s GLN 78 CO 0.02 0.36 0.05 -0.06 -2.12 0.00 0.00 175.29 173.54 1cqg s PHE 79 N -0.17 3.26 0.09 0.91 0.40 0.56 0.08 117.98 123.11 1cqg s PHE 79 Ca -0.01 0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.55 1cqg s PHE 79 Cb -0.12 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1cqg s PHE 79 CO 0.02 0.34 -0.21 -0.06 0.70 0.00 0.00 175.22 176.01 1cqg s PHE 80 N -0.27 1.80 -0.12 0.36 0.40 0.26 -1.85 117.98 118.56 1cqg s PHE 80 Ca 0.08 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1cqg s PHE 80 Cb -0.12 -1.00 0.06 0.00 0.51 0.00 0.00 43.02 42.46 1cqg s PHE 80 CO 0.02 0.18 0.25 0.21 0.70 0.00 0.00 175.22 176.58 1cqg s LYS 81 N -1.76 0.16 -1.73 0.44 2.47 0.13 -2.22 119.74 117.23 1cqg s LYS 81 Ca 0.07 0.67 0.00 0.00 -1.56 0.00 0.00 55.97 55.15 1cqg s LYS 81 Cb -0.10 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.20 1cqg s LYS 81 CO 0.04 -0.25 0.00 1.63 0.16 0.00 0.00 175.35 176.93 1cqg n LYS 82 N 5.02 -1.70 -0.98 4.03 5.02 -1.23 0.20 118.16 128.52 1cqg n LYS 82 Ca -0.12 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1cqg n LYS 82 Cb 0.51 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 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 -0.80 0.50 3.46 0.72 0.00 -1.26 -5.03 105.19 102.78 1cqg n GLY 83 Ca -0.22 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.23 3.08 -0.13 1.61 -1.52 0.13 -5.08 119.66 117.52 1cqg s GLN 84 Ca 0.00 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 52.48 1cqg s GLN 84 Cb 0.00 -2.60 -0.01 0.00 -0.22 0.00 0.00 33.01 30.18 1cqg s GLN 84 CO 0.00 0.41 1.05 0.21 -0.25 0.00 0.00 175.29 176.71 1cqg s LYS 85 N -0.16 4.37 -0.02 2.91 2.20 -1.26 0.22 119.74 128.00 1cqg s LYS 85 Ca 0.00 1.43 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 1cqg s LYS 85 Cb -0.13 -3.58 0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1cqg s LYS 85 CO 0.03 -0.42 0.93 1.33 -0.36 0.00 0.00 175.35 176.86 1cqg n VAL 86 N 4.77 0.90 -3.65 4.02 0.24 -0.77 -4.96 118.33 118.89 1cqg n VAL 86 Ca 0.10 -0.97 -0.02 0.00 -2.04 0.00 0.00 64.34 61.42 1cqg n VAL 86 Cb 0.48 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.11 0.03 -0.16 7.63 0.00 -1.24 -4.97 107.32 107.51 1cqg s GLY 87 Ca 0.05 2.64 -0.30 0.00 0.00 0.00 0.00 44.72 47.12 1cqg s GLY 87 CO 0.00 1.00 0.95 1.85 0.00 0.00 0.00 173.10 176.90 1cqg s GLU 88 N -1.26 0.66 0.10 2.90 2.12 -1.26 -0.32 118.70 121.64 1cqg s GLU 88 Ca 0.10 0.22 -0.25 0.00 0.36 0.00 0.00 54.97 55.39 1cqg s GLU 88 Cb -0.01 0.31 0.08 0.00 0.26 0.00 0.00 34.13 34.77 1cqg s GLU 88 CO -0.07 -0.19 0.79 -0.59 -0.54 0.00 0.00 175.26 174.65 1cqg s PHE 89 N -0.97 -0.36 0.23 5.30 -0.12 -0.78 -5.02 117.98 116.26 1cqg s PHE 89 Ca -0.03 0.14 0.08 0.00 -0.05 0.00 0.00 56.93 57.08 1cqg s PHE 89 Cb -0.01 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1cqg s PHE 89 CO 0.02 -0.76 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.75 1cqg s SER 90 N -2.69 2.76 0.00 1.98 1.04 -1.26 -1.56 113.70 113.97 1cqg s SER 90 Ca 0.05 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1cqg s SER 90 Cb -0.02 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1cqg s SER 90 CO -0.07 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1cqg n GLY 91 N -0.44 3.44 2.67 7.32 0.00 -1.17 -4.90 105.19 112.11 1cqg n GLY 91 Ca -0.07 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 0.13 5.72 -3.90 4.61 0.00 -1.26 -4.81 120.51 121.01 1cqg n ALA 92 Ca 0.00 -3.61 -0.33 0.00 0.00 0.00 0.00 53.44 49.50 1cqg n ALA 92 Cb 0.00 -3.48 -0.13 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 3.18 4.89 0.19 0.00 3.04 -1.26 -4.97 114.94 120.02 1cqg s ASN 93 Ca 0.54 -2.38 -0.05 0.00 0.04 0.00 0.00 52.86 51.01 1cqg s ASN 93 Cb 0.15 -1.72 0.12 0.00 -1.54 0.00 0.00 41.25 38.26 1cqg s ASN 93 CO -0.05 -0.40 1.56 0.07 -3.04 0.00 0.00 177.10 175.23 1cqg h LYS 94 N 7.45 0.72 0.00 0.43 -0.00 -1.98 -2.98 116.57 120.22 1cqg h LYS 94 Ca -0.07 -0.36 -0.03 0.00 -0.00 0.00 0.00 60.65 60.19 1cqg h LYS 94 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.63 0.98 -0.14 0.93 -0.00 0.00 0.00 179.45 181.85 1cqg h GLU 95 N 0.60 0.00 -0.29 0.07 4.39 -2.01 -1.93 114.58 115.42 1cqg h GLU 95 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.91 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1cqg h GLU 95 CO 0.08 0.14 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.82 1cqg h LYS 96 N 0.00 0.44 -0.92 2.33 3.64 -1.95 -1.82 116.57 118.29 1cqg h LYS 96 Ca -0.00 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 96 Cb 0.26 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1cqg h LYS 96 CO 0.02 0.50 0.60 -0.07 -2.27 0.00 0.00 179.45 178.22 1cqg h LEU 97 N 0.43 0.96 -0.77 5.20 3.38 -1.42 -1.34 115.31 121.73 1cqg h LEU 97 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1cqg h LEU 97 Cb 0.33 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1cqg h LEU 97 CO 0.01 0.63 0.49 -0.08 0.09 0.00 0.00 178.44 179.58 1cqg h GLU 98 N 1.10 1.03 -0.29 1.13 4.22 -1.40 -0.29 114.58 120.08 1cqg h GLU 98 Ca 0.38 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.67 1cqg h GLU 98 Cb 0.12 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1cqg h GLU 98 CO -0.13 0.71 -0.12 0.00 -2.18 0.00 0.00 179.01 177.28 1cqg h ALA 99 N 1.26 0.41 -0.60 2.92 0.00 -1.21 -1.37 119.26 120.68 1cqg h ALA 99 Ca 0.28 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1cqg h ALA 99 Cb -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1cqg h ALA 99 CO -0.06 0.28 -0.02 1.15 0.00 0.00 0.00 179.25 180.61 1cqg h THR 100 N 0.36 1.27 -0.03 0.00 2.02 -1.15 0.21 112.91 115.58 1cqg h THR 100 Ca 0.07 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1cqg h THR 100 Cb 0.63 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1cqg h THR 100 CO 0.04 0.43 0.02 0.40 0.37 0.00 0.00 175.52 176.78 1cqg h ILE 101 N 0.97 1.04 -0.55 3.11 2.04 -0.99 0.31 117.51 123.45 1cqg h ILE 101 Ca 0.17 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1cqg h ILE 101 Cb 0.58 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1cqg h ILE 101 CO 0.03 0.04 0.36 -1.13 0.00 0.00 0.00 178.15 177.45 1cqg h ASN 102 N 0.00 0.63 -0.53 1.72 -0.73 -1.01 0.67 115.58 116.33 1cqg h ASN 102 Ca 0.01 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.04 1cqg h ASN 102 Cb 0.04 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1cqg h ASN 102 CO -0.00 0.46 -0.15 -0.08 -0.37 0.00 0.00 177.43 177.29 1cqg h GLU 103 N 0.74 1.03 -0.11 6.67 4.57 0.42 -3.16 114.58 124.75 1cqg h GLU 103 Ca 0.20 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1cqg h GLU 103 Cb -0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1cqg h GLU 103 CO -0.04 1.10 0.00 1.28 -1.18 0.00 0.00 179.01 180.16 1cqg n LEU 104 N -4.13 3.09 0.00 1.64 4.77 0.00 -5.08 117.00 117.29 1cqg n LEU 104 Ca 0.01 -1.11 0.06 0.00 -0.03 0.00 0.00 56.01 54.95 1cqg n LEU 104 Cb 0.43 -0.05 0.38 0.00 -2.33 0.00 0.00 43.42 41.84 1cqg n LEU 104 CO 0.46 0.55 0.60 0.55 -1.33 0.00 0.00 177.39 178.22