#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 -2.54 120.40 124.97 1cqg s VAL 2 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1cqg s VAL 2 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1cqg s VAL 2 CO 0.00 0.48 -0.10 -0.75 0.00 0.00 0.00 175.10 174.73 1cqg s LYS 3 N -0.04 1.52 -0.23 2.72 2.47 -0.82 -5.03 119.74 120.34 1cqg s LYS 3 Ca 0.12 -0.34 -0.14 0.00 -1.56 0.00 0.00 55.97 54.05 1cqg s LYS 3 Cb -0.12 -1.30 -0.04 0.00 -1.46 0.00 0.00 37.83 34.91 1cqg s LYS 3 CO 0.02 -0.01 0.30 -1.14 0.16 0.00 0.00 175.35 174.68 1cqg s GLN 4 N 0.76 4.11 -0.30 4.03 0.74 -1.26 -1.07 119.66 126.67 1cqg s GLN 4 Ca -0.13 -0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.17 1cqg s GLN 4 Cb -0.15 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 1cqg s GLN 4 CO 0.02 -0.04 0.17 0.42 -0.55 0.00 0.00 175.29 175.31 1cqg s ILE 5 N 1.34 4.87 -2.49 -2.34 -1.09 -0.90 -4.93 121.20 115.66 1cqg s ILE 5 Ca 0.14 -0.21 0.23 0.00 -2.23 0.00 0.00 60.65 58.58 1cqg s ILE 5 Cb -0.14 -3.43 0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1cqg s ILE 5 CO 0.07 0.13 1.18 -0.62 -1.23 0.00 0.00 174.94 174.47 1cqg n GLU 6 N 5.02 1.73 -3.60 2.79 -0.58 -1.26 -4.40 120.64 120.34 1cqg n GLU 6 Ca -0.14 -1.42 -0.12 0.00 -0.42 0.00 0.00 57.16 55.05 1cqg n GLU 6 Cb 0.50 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.25 -0.35 0.38 1.62 1.04 -1.26 -4.45 113.70 108.43 1cqg s SER 7 Ca 0.23 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.70 1cqg s SER 7 Cb 0.19 0.48 0.75 0.00 0.10 0.00 0.00 66.02 67.54 1cqg s SER 7 CO 0.44 -0.79 1.89 0.50 0.98 0.00 0.00 173.24 176.27 1cqg h LYS 8 N 2.59 0.22 -0.34 4.02 3.64 -1.92 -2.16 116.57 122.62 1cqg h LYS 8 Ca -0.32 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.24 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1cqg h LYS 8 CO 0.43 0.40 0.06 1.15 -2.27 0.00 0.00 179.45 179.22 1cqg h THR 9 N 0.21 0.83 -0.01 1.00 2.02 -1.99 -0.02 112.91 114.94 1cqg h THR 9 Ca 0.04 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1cqg h THR 9 Cb 0.43 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1cqg h THR 9 CO 0.03 0.03 -0.48 0.00 0.37 0.00 0.00 175.52 175.47 1cqg h ALA 10 N 1.25 1.18 -0.60 6.16 0.00 -1.90 -2.99 119.26 122.36 1cqg h ALA 10 Ca 0.16 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1cqg h ALA 10 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1cqg h ALA 10 CO -0.22 0.61 0.37 0.35 0.00 0.00 0.00 179.25 180.37 1cqg h PHE 11 N 0.03 0.70 -0.54 0.00 3.57 -0.40 0.30 116.94 120.60 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 0.86 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1cqg h PHE 11 CO 0.00 0.41 0.12 1.96 -2.23 0.00 0.00 178.31 178.57 1cqg h GLN 12 N 0.74 0.88 -0.75 1.11 4.20 -1.15 -1.79 115.11 118.35 1cqg h GLN 12 Ca 0.24 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1cqg h GLN 12 Cb 0.00 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1cqg h GLN 12 CO -0.09 0.84 0.27 0.93 -0.67 0.00 0.00 178.83 180.10 1cqg h GLU 13 N 0.77 1.14 -0.50 1.46 3.07 -1.23 -2.02 114.58 117.27 1cqg h GLU 13 Ca 0.17 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1cqg h GLU 13 Cb 0.37 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1cqg h GLU 13 CO 0.01 0.95 -0.08 0.00 -1.40 0.00 0.00 179.01 178.49 1cqg h ALA 14 N 1.18 0.69 -0.93 3.43 0.00 -0.14 0.63 119.26 124.11 1cqg h ALA 14 Ca 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cqg h ALA 14 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1cqg h ALA 14 CO -0.01 0.57 0.58 -0.07 0.00 0.00 0.00 179.25 180.31 1cqg h LEU 15 N 0.80 1.10 -0.70 0.00 3.38 -1.06 -0.73 115.31 118.10 1cqg h LEU 15 Ca 0.13 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1cqg h LEU 15 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cqg h LEU 15 CO 0.04 0.83 -0.37 -0.78 0.09 0.00 0.00 178.44 178.25 1cqg h ASP 16 N 1.28 0.61 -0.23 -0.43 3.58 -0.98 -3.03 116.42 117.23 1cqg h ASP 16 Ca 0.34 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 1cqg h ASP 16 Cb -0.09 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1cqg h ASP 16 CO -0.07 0.92 -0.31 0.00 -2.88 0.00 0.00 179.24 176.91 1cqg h ALA 17 N 1.11 0.82 -0.46 -0.78 0.00 -0.09 -2.80 119.26 117.05 1cqg h ALA 17 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1cqg h ALA 17 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1cqg h ALA 17 CO 0.07 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.26 1cqg h ALA 18 N 1.03 1.66 -0.59 0.00 0.00 -1.04 -3.47 119.26 116.84 1cqg h ALA 18 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cqg h ALA 18 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cqg h ALA 18 CO 0.07 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1cqg n GLY 19 N -1.44 2.80 0.58 0.00 0.00 -1.06 -2.13 105.19 103.94 1cqg n GLY 19 Ca 0.04 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 7.20 1.76 -4.80 1.61 8.00 -1.26 -3.04 116.55 126.03 1cqg n ASP 20 Ca 0.00 -1.65 -0.34 0.00 0.71 0.00 0.00 54.79 53.51 1cqg n ASP 20 Cb 0.00 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.87 3.54 0.83 -1.24 1.02 -0.90 -4.76 119.74 116.36 1cqg s LYS 21 Ca 0.35 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 1cqg s LYS 21 Cb 0.19 -2.06 0.10 0.00 -0.52 0.00 0.00 37.83 35.55 1cqg s LYS 21 CO 0.30 -0.65 1.16 -1.17 -0.92 0.00 0.00 175.35 174.07 1cqg s LEU 22 N -3.93 3.02 -0.11 3.17 0.20 -1.26 -4.55 118.68 115.23 1cqg s LEU 22 Ca 0.67 2.19 -0.04 0.00 0.69 0.00 0.00 54.13 57.63 1cqg s LEU 22 Cb -0.17 -4.57 0.05 0.00 -0.43 0.00 0.00 46.19 41.07 1cqg s LEU 22 CO 0.28 -2.68 0.22 -0.69 -0.29 0.00 0.00 176.35 173.19 1cqg s VAL 23 N -2.48 -0.25 -0.05 1.68 1.01 -0.75 -2.07 120.40 117.49 1cqg s VAL 23 Ca 0.68 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1cqg s VAL 23 Cb -0.24 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1cqg s VAL 23 CO 0.54 0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1cqg s VAL 24 N 1.97 3.40 -0.16 2.92 1.01 -0.80 -0.56 120.40 128.20 1cqg s VAL 24 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1cqg s VAL 24 Cb -0.12 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1cqg s VAL 24 CO -0.08 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 1cqg s VAL 25 N -0.79 1.69 -0.28 2.92 1.01 0.53 -0.27 120.40 125.22 1cqg s VAL 25 Ca 0.12 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1cqg s VAL 25 Cb -0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1cqg s VAL 25 CO 0.01 0.48 0.30 -0.62 0.00 0.00 0.00 175.10 175.27 1cqg s ASP 26 N 1.44 6.16 -0.29 3.32 2.15 -0.16 -1.22 116.67 128.07 1cqg s ASP 26 Ca 0.05 0.15 0.07 0.00 0.43 0.00 0.00 52.55 53.25 1cqg s ASP 26 Cb -0.13 -2.18 0.62 0.00 -0.30 0.00 0.00 42.92 40.93 1cqg s ASP 26 CO -0.11 -0.14 1.66 0.49 -0.17 0.00 0.00 175.17 176.89 1cqg n PHE 27 N 5.23 2.16 -1.74 -5.34 3.72 0.07 0.61 117.46 122.17 1cqg n PHE 27 Ca -0.11 -1.14 -0.38 0.00 -0.05 0.00 0.00 57.45 55.78 1cqg n PHE 27 Cb 0.51 -0.65 0.05 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.21 2.54 -4.69 4.37 7.64 -1.23 -4.35 113.62 117.68 1cqg n SER 28 Ca 0.37 0.94 -0.41 0.00 1.01 0.00 0.00 58.87 60.77 1cqg n SER 28 Cb 1.27 -1.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.31 3.39 0.29 -0.43 0.00 -1.26 -4.17 121.76 118.27 1cqg s ALA 29 Ca 0.75 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.95 1cqg s ALA 29 Cb -0.41 -3.22 0.44 0.00 0.00 0.00 0.00 23.12 19.94 1cqg s ALA 29 CO 0.46 -0.44 1.73 0.00 0.00 0.00 0.00 175.76 177.51 1cqg h THR 30 N 5.01 1.27 0.00 0.00 1.03 -1.92 -2.38 112.91 115.92 1cqg h THR 30 Ca -0.34 -1.29 -0.08 0.00 -0.01 0.00 0.00 66.41 64.68 1cqg h THR 30 Cb 1.16 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 69.65 1cqg h THR 30 CO 0.81 0.40 -0.38 4.11 -0.01 0.00 0.00 175.52 180.45 1cqg h TRP 31 N 0.36 0.00 -3.54 0.00 5.08 -2.03 -3.41 115.95 112.42 1cqg h TRP 31 Ca 0.05 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.45 1cqg h TRP 31 Cb 0.68 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.77 1cqg h TRP 31 CO 0.02 0.38 0.84 0.00 -1.28 0.00 0.00 178.44 178.40 1cqg h GLY 33 N 10.64 -0.17 -0.02 0.00 0.00 -1.83 -0.72 103.07 110.98 1cqg h GLY 33 Ca -0.22 0.06 0.23 0.00 0.00 0.00 0.00 47.33 47.41 1cqg h GLY 33 CO 1.07 -0.06 0.63 -2.55 0.00 0.00 0.00 176.54 175.63 1cqg h PRO 34 N -0.18 0.52 -0.01 4.80 0.11 -1.94 0.64 132.00 135.93 1cqg h PRO 34 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1cqg h PRO 34 Cb 0.14 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.14 1cqg h PRO 34 CO 0.03 0.34 -0.30 0.00 -0.21 0.00 0.00 178.00 177.86 1cqg h ALA 35 N 1.65 0.05 -0.04 -0.75 0.00 -1.76 -3.11 119.26 115.30 1cqg h ALA 35 Ca 0.59 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cqg h ALA 35 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1cqg h ALA 35 CO -0.34 0.13 0.03 -0.22 0.00 0.00 0.00 179.25 178.84 1cqg h LYS 36 N -0.41 0.02 -0.05 0.00 3.64 0.35 -0.27 116.57 119.86 1cqg h LYS 36 Ca -0.03 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 36 Cb 1.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1cqg h LYS 36 CO 0.06 0.01 0.04 1.98 -2.27 0.00 0.00 179.45 179.27 1cqg h MET 37 N 0.02 0.02 -0.00 1.90 4.05 0.28 -0.84 114.93 120.37 1cqg h MET 37 Ca 0.02 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1cqg h MET 37 Cb 0.05 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1cqg h MET 37 CO -0.00 0.02 -0.09 -0.89 0.23 0.00 0.00 176.91 176.18 1cqg n ILE 38 N -4.53 0.00 0.13 1.77 5.41 -0.11 -4.18 119.36 117.85 1cqg n ILE 38 Ca -0.02 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.74 1cqg n ILE 38 Cb 0.12 -0.18 0.52 0.00 -0.71 0.00 0.00 39.64 39.38 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 0.44 0.25 -0.93 0.38 2.10 -1.19 -2.89 116.57 114.74 1cqg h LYS 39 Ca 0.00 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 1cqg h LYS 39 Cb 0.33 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.55 1cqg h LYS 39 CO 0.00 0.20 0.60 -1.35 -2.00 0.00 0.00 179.45 176.90 1cqg h PRO 40 N 0.26 1.07 0.05 0.07 0.11 -1.79 0.70 132.00 132.46 1cqg h PRO 40 Ca 0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cqg h PRO 40 Cb 0.02 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.89 1cqg h PRO 40 CO -0.01 0.71 -0.02 0.74 -0.21 0.00 0.00 178.00 179.20 1cqg h PHE 41 N 1.10 -0.06 -0.26 0.65 -1.00 -1.83 1.19 116.94 116.72 1cqg h PHE 41 Ca 0.39 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.19 1cqg h PHE 41 Cb 0.12 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1cqg h PHE 41 CO -0.00 0.48 0.11 0.35 -1.61 0.00 0.00 178.31 177.64 1cqg h PHE 42 N -0.66 0.21 -0.41 -0.55 3.57 -1.42 0.25 116.94 117.94 1cqg h PHE 42 Ca -0.01 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1cqg h PHE 42 Cb 0.57 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1cqg h PHE 42 CO 0.12 0.11 -0.23 1.25 -2.23 0.00 0.00 178.31 177.33 1cqg h HIS 43 N 0.25 1.01 -0.55 0.41 2.76 0.38 -3.05 115.15 116.36 1cqg h HIS 43 Ca 0.11 -0.26 -0.05 0.00 -2.20 0.00 0.00 60.37 57.97 1cqg h HIS 43 Cb 0.05 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1cqg h HIS 43 CO -0.11 1.05 0.13 0.77 -1.30 0.00 0.00 177.93 178.47 1cqg h SER 44 N 0.69 0.80 0.14 3.26 0.02 0.20 -2.47 113.55 116.18 1cqg h SER 44 Ca 0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1cqg h SER 44 Cb 0.80 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1cqg h SER 44 CO 0.07 0.78 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.38 1cqg h LEU 45 N 0.82 0.00 -1.20 5.07 3.38 -0.40 -2.38 115.31 120.60 1cqg h LEU 45 Ca 0.18 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.34 1cqg h LEU 45 Cb 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1cqg h LEU 45 CO -0.00 0.09 0.61 0.28 0.09 0.00 0.00 178.44 179.51 1cqg h SER 46 N 0.00 0.65 1.02 -0.43 0.02 -1.42 0.53 113.55 113.92 1cqg h SER 46 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1cqg h SER 46 Cb 0.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1cqg h SER 46 CO 0.01 0.25 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.07 1cqg h GLU 47 N 0.64 0.00 0.16 3.45 3.07 -1.59 -2.95 114.58 117.36 1cqg h GLU 47 Ca 0.53 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.10 1cqg h GLU 47 Cb 0.98 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1cqg h GLU 47 CO -0.29 0.00 -1.30 -0.22 -1.40 0.00 0.00 179.01 175.80 1cqg h LYS 48 N 0.00 0.47 -2.23 2.33 3.64 -0.00 -3.34 116.57 117.44 1cqg h LYS 48 Ca 0.00 -0.71 -0.59 0.00 -1.27 0.00 0.00 60.65 58.07 1cqg h LYS 48 Cb 0.79 0.25 -0.42 0.00 -0.41 0.00 0.00 32.23 32.44 1cqg h LYS 48 CO 0.00 1.33 -0.62 0.66 -2.27 0.00 0.00 179.45 178.55 1cqg n TYR 49 N -3.68 3.77 0.17 1.91 4.01 0.43 -4.84 117.16 118.93 1cqg n TYR 49 Ca -0.12 -4.09 0.02 0.00 -0.16 0.00 0.00 57.90 53.55 1cqg n TYR 49 Cb 1.02 -0.53 0.10 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.41 0.00 -0.63 7.72 3.41 -1.11 -0.01 113.62 123.40 1cqg n SER 50 Ca 0.30 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 1cqg n SER 50 Cb 0.40 -0.41 0.35 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.41 1.90 -4.28 4.04 5.15 -1.26 -4.58 115.26 114.82 1cqg n ASN 51 Ca 0.01 -1.75 -0.25 0.00 -0.60 0.00 0.00 54.58 51.99 1cqg n ASN 51 Cb 0.04 -0.12 -0.13 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 -1.76 1.76 -0.25 3.44 1.01 0.99 -4.51 120.40 121.08 1cqg s VAL 52 Ca 0.33 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 1cqg s VAL 52 Cb 0.18 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1cqg s VAL 52 CO 0.27 0.07 0.17 -0.63 0.00 0.00 0.00 175.10 174.97 1cqg s ILE 53 N -1.00 5.32 -0.21 2.22 -1.09 -0.88 -3.97 121.20 121.59 1cqg s ILE 53 Ca 0.08 0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.59 1cqg s ILE 53 Cb -0.10 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1cqg s ILE 53 CO 0.03 0.32 0.07 -0.36 -1.23 0.00 0.00 174.94 173.78 1cqg s PHE 54 N 1.27 3.21 -0.03 3.97 0.40 -1.05 -1.90 117.98 123.84 1cqg s PHE 54 Ca 0.07 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 54 Cb -0.14 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1cqg s PHE 54 CO 0.06 0.01 -0.10 -0.51 0.70 0.00 0.00 175.22 175.39 1cqg s LEU 55 N 0.77 3.02 -0.12 -0.37 1.02 0.63 -1.94 118.68 121.69 1cqg s LEU 55 Ca 0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 54.13 54.04 1cqg s LEU 55 Cb -0.13 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1cqg s LEU 55 CO 0.02 0.32 -0.09 -0.70 0.02 0.00 0.00 176.35 175.92 1cqg s GLU 56 N -1.04 3.32 -0.04 1.70 2.12 -0.23 -0.99 118.70 123.55 1cqg s GLU 56 Ca 0.14 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.90 1cqg s GLU 56 Cb -0.11 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 1cqg s GLU 56 CO 0.03 0.32 -0.15 0.08 -0.54 0.00 0.00 175.26 175.01 1cqg s VAL 57 N 0.09 1.23 -0.27 3.70 1.01 0.20 -2.12 120.40 124.25 1cqg s VAL 57 Ca -0.03 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1cqg s VAL 57 Cb -0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1cqg s VAL 57 CO 0.04 0.36 0.25 -0.62 0.00 0.00 0.00 175.10 175.13 1cqg s ASP 58 N 0.06 6.11 0.57 3.32 2.15 -1.26 -3.57 116.67 124.06 1cqg s ASP 58 Ca -0.03 0.11 0.37 0.00 0.43 0.00 0.00 52.55 53.43 1cqg s ASP 58 Cb -0.10 -2.15 1.74 0.00 -0.30 0.00 0.00 42.92 42.11 1cqg s ASP 58 CO 0.01 -0.08 2.11 -0.37 -0.17 0.00 0.00 175.17 176.67 1cqg h VAL 59 N 5.33 0.00 0.08 1.11 -1.51 -1.76 0.94 116.25 120.44 1cqg h VAL 59 Ca -0.34 -0.30 -0.36 0.00 -1.23 0.00 0.00 66.70 64.47 1cqg h VAL 59 Cb 1.18 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.57 1cqg h VAL 59 CO 0.59 0.00 -2.06 0.47 -1.23 0.00 0.00 177.57 175.34 1cqg n ASP 60 N -3.02 2.06 0.03 4.19 9.92 -1.26 -2.89 116.55 125.57 1cqg n ASP 60 Ca -0.01 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 54.52 1cqg n ASP 60 Cb 0.21 -0.77 -0.05 0.00 -0.64 0.00 0.00 41.12 39.87 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 0.51 -2.04 -2.24 8.00 -1.16 -4.12 116.55 111.92 1cqg n ASP 61 Ca -0.36 -0.12 -0.17 0.00 0.71 0.00 0.00 54.79 54.84 1cqg n ASP 61 Cb 0.98 1.09 0.04 0.00 -0.02 0.00 0.00 41.12 43.21 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 -1.98 4.46 0.34 2.24 0.00 0.33 -4.74 120.51 121.15 1cqg n ALA 62 Ca 0.00 -3.55 0.23 0.00 0.00 0.00 0.00 53.44 50.12 1cqg n ALA 62 Cb 0.48 -0.42 1.22 0.00 0.00 0.00 0.00 19.45 20.73 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 2.14 0.00 -0.45 0.00 3.07 -1.43 -1.01 115.11 117.43 1cqg h GLN 63 Ca 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.92 1cqg h GLN 63 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 1cqg h GLN 63 CO 0.59 0.00 -0.00 0.38 0.09 0.00 0.00 178.83 179.89 1cqg h ASP 64 N 0.00 0.71 -0.15 0.06 3.04 -1.87 0.42 116.42 118.63 1cqg h ASP 64 Ca 0.00 -0.17 -0.16 0.00 -3.24 0.00 0.00 57.03 53.46 1cqg h ASP 64 Cb 0.01 -0.19 0.01 0.00 -1.04 0.00 0.00 39.33 38.11 1cqg h ASP 64 CO 0.00 0.78 -0.53 0.58 -2.04 0.00 0.00 179.24 178.03 1cqg h VAL 65 N 0.70 1.33 -0.47 4.15 2.07 -1.54 -3.03 116.25 119.46 1cqg h VAL 65 Ca 0.14 -1.79 -0.12 0.00 0.82 0.00 0.00 66.70 65.74 1cqg h VAL 65 Cb 0.43 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1cqg h VAL 65 CO 0.02 0.55 -0.19 0.00 0.02 0.00 0.00 177.57 177.98 1cqg h ALA 66 N 0.54 0.65 -0.97 1.67 0.00 -1.38 -2.52 119.26 117.25 1cqg h ALA 66 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1cqg h ALA 66 Cb 1.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1cqg h ALA 66 CO 0.11 0.61 0.63 0.66 0.00 0.00 0.00 179.25 181.26 1cqg h SER 67 N 0.80 1.12 -0.56 0.00 4.64 -0.21 0.44 113.55 119.78 1cqg h SER 67 Ca 0.11 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1cqg h SER 67 Cb 0.76 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1cqg h SER 67 CO 0.06 0.83 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.75 1cqg h GLU 68 N 1.32 1.02 -0.00 4.77 4.22 -1.42 -2.48 114.58 122.00 1cqg h GLU 68 Ca 0.35 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1cqg h GLU 68 Cb -0.13 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1cqg h GLU 68 CO -0.07 1.01 -0.11 0.00 -2.18 0.00 0.00 179.01 177.66 1cqg n ALA 69 N -2.49 2.75 -3.71 2.92 0.00 -0.76 -4.94 120.51 114.29 1cqg n ALA 69 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1cqg n ALA 69 Cb 0.35 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.95 -4.86 -1.97 0.00 -0.58 0.15 -4.85 120.64 107.58 1cqg n GLU 70 Ca 0.15 0.61 -0.42 0.00 -0.42 0.00 0.00 57.16 57.08 1cqg n GLU 70 Cb 0.28 -5.16 -0.03 0.00 -0.57 0.00 0.00 31.44 25.96 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 -3.68 2.71 -0.76 2.62 1.01 -1.07 -4.87 120.40 116.35 1cqg s VAL 71 Ca 0.00 0.52 0.18 0.00 0.00 0.00 0.00 61.98 62.68 1cqg s VAL 71 Cb -0.00 -3.33 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1cqg s VAL 71 CO 0.81 0.04 0.72 0.29 0.00 0.00 0.00 175.10 176.97 1cqg n LYS 72 N 3.82 1.01 -3.47 2.72 4.76 -1.26 -5.01 118.16 120.72 1cqg n LYS 72 Ca 0.13 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.39 -1.36 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.76 -1.70 0.11 7.82 0.00 -1.26 -5.18 121.76 118.79 1cqg s ALA 73 Ca 0.05 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1cqg s ALA 73 Cb 0.13 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1cqg s ALA 73 CO 0.74 -0.59 -0.14 0.95 0.00 0.00 0.00 175.76 176.72 1cqg s THR 74 N -2.61 1.31 0.33 0.00 -4.23 -1.26 -4.07 115.64 105.10 1cqg s THR 74 Ca -0.03 -1.64 -0.27 0.00 -1.18 0.00 0.00 61.69 58.58 1cqg s THR 74 Cb -0.01 -1.45 -0.09 0.00 1.34 0.00 0.00 72.50 72.29 1cqg s THR 74 CO -0.03 -0.37 1.03 -2.16 -0.54 0.00 0.00 174.62 172.54 1cqg s PRO 75 N -2.48 4.47 -0.04 3.99 0.04 -1.26 -4.89 135.00 134.83 1cqg s PRO 75 Ca 0.07 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1cqg s PRO 75 Cb -0.06 -2.86 -0.00 0.00 0.04 0.00 0.00 34.50 31.62 1cqg s PRO 75 CO 0.03 0.12 -0.15 0.99 0.04 0.00 0.00 177.00 178.04 1cqg s THR 76 N -1.46 1.24 -0.12 1.26 2.01 -1.26 -2.75 115.64 114.56 1cqg s THR 76 Ca 0.51 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1cqg s THR 76 Cb -0.24 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1cqg s THR 76 CO 0.31 0.36 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.12 1cqg s PHE 77 N 0.13 2.83 0.01 4.92 0.08 -0.44 -0.75 117.98 124.75 1cqg s PHE 77 Ca -0.05 -0.50 0.08 0.00 0.12 0.00 0.00 56.93 56.59 1cqg s PHE 77 Cb -0.11 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1cqg s PHE 77 CO 0.02 -0.11 -0.26 -0.65 -0.10 0.00 0.00 175.22 174.12 1cqg s GLN 78 N 0.15 1.94 -0.12 0.44 -0.21 -0.36 -1.75 119.66 119.74 1cqg s GLN 78 Ca -0.06 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 54.30 1cqg s GLN 78 Cb -0.15 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 1cqg s GLN 78 CO 0.04 0.53 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.66 1cqg s PHE 79 N -0.68 3.08 0.06 0.91 0.40 0.75 -0.35 117.98 122.14 1cqg s PHE 79 Ca 0.10 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1cqg s PHE 79 Cb -0.10 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1cqg s PHE 79 CO 0.00 0.21 -0.16 -0.06 0.70 0.00 0.00 175.22 175.91 1cqg s PHE 80 N -0.23 1.40 -0.15 0.36 0.40 0.28 -1.55 117.98 118.48 1cqg s PHE 80 Ca 0.05 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.92 1cqg s PHE 80 Cb -0.13 -0.81 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1cqg s PHE 80 CO 0.02 0.07 0.35 0.21 0.70 0.00 0.00 175.22 176.57 1cqg s LYS 81 N -1.38 0.28 -1.77 0.44 2.20 0.19 -1.80 119.74 117.90 1cqg s LYS 81 Ca 0.02 0.79 -0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1cqg s LYS 81 Cb -0.09 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1cqg s LYS 81 CO 0.02 -0.21 0.02 1.63 -0.36 0.00 0.00 175.35 176.45 1cqg n LYS 82 N 4.78 -1.82 -1.06 4.03 5.02 -1.17 -0.20 118.16 127.75 1cqg n LYS 82 Ca -0.16 1.00 -0.02 0.00 -2.02 0.00 0.00 58.31 57.11 1cqg n LYS 82 Cb 0.52 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 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 -1.03 0.55 3.36 0.72 0.00 -1.26 -5.02 105.19 102.50 1cqg n GLY 83 Ca -0.24 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.35 2.71 -0.13 1.61 -1.52 0.73 -5.10 119.66 116.61 1cqg s GLN 84 Ca 0.00 -0.79 -0.29 0.00 -1.95 0.00 0.00 55.36 52.32 1cqg s GLN 84 Cb 0.00 -2.33 -0.01 0.00 -0.22 0.00 0.00 33.01 30.45 1cqg s GLN 84 CO 0.00 0.42 1.06 0.21 -0.25 0.00 0.00 175.29 176.73 1cqg s LYS 85 N -0.23 4.36 0.00 2.91 2.20 -1.26 0.54 119.74 128.26 1cqg s LYS 85 Ca -0.00 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1cqg s LYS 85 Cb -0.13 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1cqg s LYS 85 CO 0.03 -0.43 0.79 1.33 -0.36 0.00 0.00 175.35 176.71 1cqg n VAL 86 N 4.78 0.62 -3.65 4.02 0.24 -0.60 -4.95 118.33 118.79 1cqg n VAL 86 Ca 0.10 -0.71 -0.02 0.00 -2.04 0.00 0.00 64.34 61.67 1cqg n VAL 86 Cb 0.47 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.62 -0.07 -0.12 7.63 0.00 -1.24 -4.96 107.32 107.94 1cqg s GLY 87 Ca 0.00 2.32 -0.30 0.00 0.00 0.00 0.00 44.72 46.74 1cqg s GLY 87 CO 0.00 0.83 0.85 1.85 0.00 0.00 0.00 173.10 176.63 1cqg s GLU 88 N -1.62 0.80 0.06 2.90 2.12 -1.26 -0.18 118.70 121.52 1cqg s GLU 88 Ca 0.11 0.25 -0.26 0.00 0.36 0.00 0.00 54.97 55.42 1cqg s GLU 88 Cb -0.01 0.38 0.09 0.00 0.26 0.00 0.00 34.13 34.84 1cqg s GLU 88 CO -0.05 -0.24 0.76 -0.59 -0.54 0.00 0.00 175.26 174.60 1cqg s PHE 89 N -1.03 -0.44 0.20 5.30 -0.12 -0.72 -5.01 117.98 116.17 1cqg s PHE 89 Ca -0.05 0.30 0.07 0.00 -0.05 0.00 0.00 56.93 57.20 1cqg s PHE 89 Cb -0.01 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1cqg s PHE 89 CO 0.05 -0.68 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.88 1cqg s SER 90 N -2.52 2.45 0.00 1.98 1.04 -1.26 -1.33 113.70 114.05 1cqg s SER 90 Ca 0.03 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1cqg s SER 90 Cb -0.01 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1cqg s SER 90 CO -0.10 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1cqg n GLY 91 N -0.37 3.77 2.75 7.32 0.00 -1.11 -4.89 105.19 112.66 1cqg n GLY 91 Ca -0.08 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.37 5.13 -3.98 4.61 0.00 -1.26 -4.77 120.51 119.87 1cqg n ALA 92 Ca 0.00 -3.44 -0.30 0.00 0.00 0.00 0.00 53.44 49.69 1cqg n ALA 92 Cb 0.00 -3.48 -0.14 0.00 0.00 0.00 0.00 19.45 15.83 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 3.58 4.52 0.27 0.00 3.04 -1.26 -4.97 114.94 120.12 1cqg s ASN 93 Ca 0.53 -2.57 0.02 0.00 0.04 0.00 0.00 52.86 50.88 1cqg s ASN 93 Cb 0.14 -1.61 0.37 0.00 -1.54 0.00 0.00 41.25 38.61 1cqg s ASN 93 CO -0.02 -0.31 1.69 0.07 -3.04 0.00 0.00 177.10 175.50 1cqg h LYS 94 N 7.07 0.49 0.00 0.43 -0.00 -1.96 -2.65 116.57 119.95 1cqg h LYS 94 Ca -0.06 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.65 60.37 1cqg h LYS 94 Cb 0.96 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 33.16 1cqg h LYS 94 CO 0.60 0.73 -0.13 0.93 -0.00 0.00 0.00 179.45 181.58 1cqg h GLU 95 N 0.43 0.00 -0.41 0.07 4.39 -2.00 -1.67 114.58 115.38 1cqg h GLU 95 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1cqg h GLU 95 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1cqg h GLU 95 CO 0.06 0.13 0.17 -0.22 -1.16 0.00 0.00 179.01 177.98 1cqg h LYS 96 N 0.00 0.58 -0.88 2.33 3.64 -1.90 -1.09 116.57 119.25 1cqg h LYS 96 Ca -0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 96 Cb 0.25 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1cqg h LYS 96 CO 0.02 0.48 0.58 -0.07 -2.27 0.00 0.00 179.45 178.19 1cqg h LEU 97 N 0.58 0.99 -0.53 5.20 3.38 -1.39 -1.94 115.31 121.60 1cqg h LEU 97 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1cqg h LEU 97 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1cqg h LEU 97 CO -0.02 0.70 0.22 -0.08 0.09 0.00 0.00 178.44 179.35 1cqg h GLU 98 N 1.16 0.80 -0.30 1.13 4.81 -1.25 -1.69 114.58 119.23 1cqg h GLU 98 Ca 0.34 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1cqg h GLU 98 Cb -0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1cqg h GLU 98 CO -0.09 0.69 -0.12 0.00 -0.73 0.00 0.00 179.01 178.77 1cqg h ALA 99 N 1.06 0.42 -0.65 2.92 0.00 -1.22 -2.43 119.26 119.37 1cqg h ALA 99 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 99 CO -0.02 0.29 0.08 1.15 0.00 0.00 0.00 179.25 180.75 1cqg h THR 100 N 0.37 1.26 -0.14 0.00 2.02 -1.29 0.37 112.91 115.49 1cqg h THR 100 Ca 0.07 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1cqg h THR 100 Cb 0.63 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1cqg h THR 100 CO 0.04 0.40 0.07 0.40 0.37 0.00 0.00 175.52 176.80 1cqg h ILE 101 N 1.01 1.11 -0.46 3.11 2.04 -1.28 0.72 117.51 123.76 1cqg h ILE 101 Ca 0.19 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1cqg h ILE 101 Cb 0.47 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1cqg h ILE 101 CO 0.02 0.10 0.28 -1.13 0.00 0.00 0.00 178.15 177.42 1cqg h ASN 102 N 0.12 0.55 -0.50 1.72 -0.73 -1.25 0.77 115.58 116.26 1cqg h ASN 102 Ca 0.05 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.07 1cqg h ASN 102 Cb 0.10 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1cqg h ASN 102 CO -0.01 0.42 -0.19 -0.08 -0.37 0.00 0.00 177.43 177.21 1cqg h GLU 103 N 0.64 1.01 -0.05 6.67 4.81 0.23 -3.17 114.58 124.72 1cqg h GLU 103 Ca 0.17 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1cqg h GLU 103 Cb -0.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1cqg h GLU 103 CO -0.03 1.10 0.00 1.28 -0.73 0.00 0.00 179.01 180.63 1cqg n LEU 104 N -4.12 2.96 0.00 1.64 4.77 0.14 -5.08 117.00 117.31 1cqg n LEU 104 Ca 0.00 -1.03 0.05 0.00 -0.03 0.00 0.00 56.01 55.01 1cqg n LEU 104 Cb 0.45 -0.01 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 1cqg n LEU 104 CO 0.46 0.51 0.52 0.55 -1.33 0.00 0.00 177.39 178.10