#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 5.12 -0.07 1.12 1.01 -1.26 -4.46 120.40 121.85 1cqg s VAL 2 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1cqg s VAL 2 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1cqg s VAL 2 CO 0.00 -0.08 -0.09 -0.75 0.00 0.00 0.00 175.10 174.17 1cqg s LYS 3 N -3.16 1.47 -0.20 2.72 2.20 -1.18 -5.06 119.74 116.52 1cqg s LYS 3 Ca 0.34 -0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 1cqg s LYS 3 Cb -0.11 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 34.84 1cqg s LYS 3 CO 0.27 -0.07 0.37 -1.14 -0.36 0.00 0.00 175.35 174.43 1cqg s GLN 4 N 0.98 4.16 -0.32 4.03 0.74 -1.26 -2.59 119.66 125.40 1cqg s GLN 4 Ca -0.09 0.15 -0.12 0.00 0.05 0.00 0.00 55.36 55.35 1cqg s GLN 4 Cb -0.15 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 1cqg s GLN 4 CO 0.00 -0.03 0.22 0.42 -0.55 0.00 0.00 175.29 175.35 1cqg s ILE 5 N 1.28 5.20 -2.43 -2.34 -1.09 -1.06 -4.92 121.20 115.84 1cqg s ILE 5 Ca 0.18 -0.16 0.23 0.00 -2.23 0.00 0.00 60.65 58.67 1cqg s ILE 5 Cb -0.15 -3.63 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1cqg s ILE 5 CO 0.08 0.05 1.18 -0.62 -1.23 0.00 0.00 174.94 174.40 1cqg n GLU 6 N 5.08 1.66 -3.68 2.79 -0.58 -1.26 -4.46 120.64 120.19 1cqg n GLU 6 Ca -0.13 -1.36 -0.12 0.00 -0.42 0.00 0.00 57.16 55.13 1cqg n GLU 6 Cb 0.50 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cqg s SER 7 N -2.28 -0.24 0.38 1.62 1.04 -1.26 -4.45 113.70 108.51 1cqg s SER 7 Ca 0.23 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.61 1cqg s SER 7 Cb 0.19 0.42 0.75 0.00 0.10 0.00 0.00 66.02 67.48 1cqg s SER 7 CO 0.46 -0.70 1.96 0.50 0.98 0.00 0.00 173.24 176.44 1cqg h LYS 8 N 2.90 0.47 -0.25 4.02 3.64 -1.92 -1.41 116.57 124.02 1cqg h LYS 8 Ca -0.32 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.21 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1cqg h LYS 8 CO 0.45 0.43 -0.01 1.15 -2.27 0.00 0.00 179.45 179.20 1cqg h THR 9 N 0.47 0.81 -0.01 1.00 2.02 -1.99 0.37 112.91 115.58 1cqg h THR 9 Ca 0.11 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1cqg h THR 9 Cb 0.17 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1cqg h THR 9 CO -0.01 0.01 -0.38 0.00 0.37 0.00 0.00 175.52 175.52 1cqg h ALA 10 N 1.22 1.35 -0.70 6.16 0.00 -1.84 -2.71 119.26 122.74 1cqg h ALA 10 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 10 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 10 CO -0.21 0.49 0.46 0.35 0.00 0.00 0.00 179.25 180.34 1cqg h PHE 11 N 0.02 0.87 -0.56 0.00 3.57 0.10 0.59 116.94 121.53 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 0.68 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1cqg h PHE 11 CO 0.00 0.54 0.06 1.96 -2.23 0.00 0.00 178.31 178.64 1cqg h GLN 12 N 0.93 0.94 -0.34 1.11 1.08 -0.91 -1.35 115.11 116.56 1cqg h GLN 12 Ca 0.26 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1cqg h GLN 12 Cb -0.09 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.06 0.91 -0.16 0.93 -0.95 0.00 0.00 178.83 179.50 1cqg h GLU 13 N 0.82 0.62 -0.41 1.46 4.39 -1.04 -1.84 114.58 118.58 1cqg h GLU 13 Ca 0.17 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1cqg h GLU 13 Cb 0.45 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1cqg h GLU 13 CO 0.02 0.75 -0.21 0.00 -1.16 0.00 0.00 179.01 178.41 1cqg h ALA 14 N 1.27 0.58 -0.68 3.43 0.00 0.53 0.69 119.26 125.08 1cqg h ALA 14 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1cqg h ALA 14 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1cqg h ALA 14 CO 0.04 0.55 0.38 -0.07 0.00 0.00 0.00 179.25 180.15 1cqg h LEU 15 N 0.69 0.84 -0.67 0.00 3.38 -1.03 -0.35 115.31 118.17 1cqg h LEU 15 Ca 0.09 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1cqg h LEU 15 Cb 0.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1cqg h LEU 15 CO 0.06 0.68 -0.30 -0.78 0.09 0.00 0.00 178.44 178.19 1cqg h ASP 16 N 0.93 0.73 -0.40 -0.43 1.82 -1.10 -3.01 116.42 114.95 1cqg h ASP 16 Ca 0.24 -0.29 -0.12 0.00 -0.39 0.00 0.00 57.03 56.47 1cqg h ASP 16 Cb 0.02 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1cqg h ASP 16 CO -0.04 0.98 -0.18 0.00 -1.61 0.00 0.00 179.24 178.39 1cqg h ALA 17 N 1.06 0.82 -0.08 -0.78 0.00 -0.30 -2.73 119.26 117.25 1cqg h ALA 17 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cqg h ALA 17 Cb 0.81 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cqg h ALA 17 CO 0.07 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.02 1cqg h ALA 18 N 1.00 1.94 -0.61 0.00 0.00 -0.95 -3.47 119.26 117.17 1cqg h ALA 18 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cqg h ALA 18 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1cqg h ALA 18 CO 0.06 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1cqg n GLY 19 N -1.52 2.57 0.64 0.00 0.00 -1.03 -2.08 105.19 103.78 1cqg n GLY 19 Ca -0.02 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 6.40 1.95 -4.79 1.61 8.00 -1.26 -3.30 116.55 125.16 1cqg n ASP 20 Ca 0.00 -1.73 -0.34 0.00 0.71 0.00 0.00 54.79 53.43 1cqg n ASP 20 Cb 0.00 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.80 3.89 0.78 -1.24 1.02 -0.88 -4.75 119.74 116.76 1cqg s LYS 21 Ca 0.34 1.39 -0.14 0.00 0.02 0.00 0.00 55.97 57.57 1cqg s LYS 21 Cb 0.19 -2.19 0.07 0.00 -0.52 0.00 0.00 37.83 35.38 1cqg s LYS 21 CO 0.28 -0.36 1.23 -1.17 -0.92 0.00 0.00 175.35 174.41 1cqg s LEU 22 N -3.30 3.21 -0.19 3.17 0.20 -1.26 -4.61 118.68 115.90 1cqg s LEU 22 Ca 0.65 2.43 -0.04 0.00 0.69 0.00 0.00 54.13 57.85 1cqg s LEU 22 Cb -0.17 -4.60 0.08 0.00 -0.43 0.00 0.00 46.19 41.07 1cqg s LEU 22 CO 0.21 -2.58 0.16 -0.69 -0.29 0.00 0.00 176.35 173.16 1cqg s VAL 23 N -2.00 -0.21 -0.10 1.68 1.01 -0.94 -1.95 120.40 117.89 1cqg s VAL 23 Ca 0.75 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1cqg s VAL 23 Cb -0.31 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1cqg s VAL 23 CO 0.49 -0.25 0.15 -0.69 0.00 0.00 0.00 175.10 174.79 1cqg s VAL 24 N 2.23 5.48 -0.14 2.92 1.01 -0.90 -0.65 120.40 130.35 1cqg s VAL 24 Ca 0.05 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1cqg s VAL 24 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1cqg s VAL 24 CO -0.11 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.70 1cqg s VAL 25 N -1.08 1.69 -0.26 2.92 1.01 0.14 -0.32 120.40 124.50 1cqg s VAL 25 Ca 0.17 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1cqg s VAL 25 Cb -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1cqg s VAL 25 CO 0.07 0.48 0.24 -0.62 0.00 0.00 0.00 175.10 175.27 1cqg s ASP 26 N 1.28 6.13 -0.23 3.32 2.15 -0.13 -1.01 116.67 128.17 1cqg s ASP 26 Ca 0.01 0.13 0.11 0.00 0.43 0.00 0.00 52.55 53.23 1cqg s ASP 26 Cb -0.14 -2.15 0.69 0.00 -0.30 0.00 0.00 42.92 41.03 1cqg s ASP 26 CO -0.08 -0.05 1.61 0.49 -0.17 0.00 0.00 175.17 176.96 1cqg n PHE 27 N 4.87 1.92 -1.61 -5.34 3.72 -0.36 0.37 117.46 121.03 1cqg n PHE 27 Ca -0.13 -0.77 -0.39 0.00 -0.05 0.00 0.00 57.45 56.12 1cqg n PHE 27 Cb 0.52 -0.51 0.03 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 0.34 0.99 -4.69 4.37 7.64 -1.24 -4.27 113.62 116.77 1cqg n SER 28 Ca 0.28 0.90 -0.41 0.00 1.01 0.00 0.00 58.87 60.65 1cqg n SER 28 Cb 1.13 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.42 3.43 0.25 -0.43 0.00 -1.26 -4.10 121.76 118.22 1cqg s ALA 29 Ca 0.70 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 1cqg s ALA 29 Cb -0.47 -3.14 0.29 0.00 0.00 0.00 0.00 23.12 19.80 1cqg s ALA 29 CO 0.52 -0.44 1.69 0.00 0.00 0.00 0.00 175.76 177.53 1cqg h THR 30 N 5.02 1.26 0.00 0.00 1.03 -1.91 -2.60 112.91 115.71 1cqg h THR 30 Ca -0.34 -1.22 -0.03 0.00 -0.01 0.00 0.00 66.41 64.81 1cqg h THR 30 Cb 1.16 1.16 -0.00 0.00 -1.07 0.00 0.00 68.15 69.40 1cqg h THR 30 CO 0.80 0.41 -0.13 4.11 -0.01 0.00 0.00 175.52 180.70 1cqg h TRP 31 N 0.62 0.00 -3.31 0.00 5.08 -2.02 -3.42 115.95 112.90 1cqg h TRP 31 Ca 0.10 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.48 1cqg h TRP 31 Cb 0.64 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.71 1cqg h TRP 31 CO 0.03 0.13 0.57 0.00 -1.28 0.00 0.00 178.44 177.89 1cqg h GLY 33 N 9.49 -0.59 0.08 0.00 0.00 -1.85 -0.73 103.07 109.47 1cqg h GLY 33 Ca -0.22 0.22 0.21 0.00 0.00 0.00 0.00 47.33 47.54 1cqg h GLY 33 CO 0.92 -0.22 0.62 -2.55 0.00 0.00 0.00 176.54 175.32 1cqg h PRO 34 N -0.62 0.61 -0.00 4.80 0.11 -1.94 0.25 132.00 135.21 1cqg h PRO 34 Ca -0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1cqg h PRO 34 Cb 0.47 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1cqg h PRO 34 CO 0.10 0.40 -0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1cqg h ALA 35 N 1.65 0.00 -0.80 -0.75 0.00 -1.79 -3.18 119.26 114.39 1cqg h ALA 35 Ca 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cqg h ALA 35 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1cqg h ALA 35 CO -0.35 -0.13 0.50 -0.22 0.00 0.00 0.00 179.25 179.06 1cqg h LYS 36 N -0.73 1.07 -0.22 0.00 3.64 -0.58 -1.33 116.57 118.42 1cqg h LYS 36 Ca -0.00 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 36 Cb 0.74 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1cqg h LYS 36 CO 0.00 0.73 0.18 1.98 -2.27 0.00 0.00 179.45 180.07 1cqg h MET 37 N 1.09 0.00 -0.01 1.90 4.05 -0.56 1.00 114.93 122.40 1cqg h MET 37 Ca 0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1cqg h MET 37 Cb -0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1cqg h MET 37 CO -0.06 0.00 -0.07 -0.89 0.23 0.00 0.00 176.91 176.12 1cqg n ILE 38 N -4.26 0.00 0.22 1.77 5.41 -0.51 -4.15 119.36 117.85 1cqg n ILE 38 Ca 0.02 -0.09 0.06 0.00 1.00 0.00 0.00 62.75 63.74 1cqg n ILE 38 Cb 0.32 -0.02 0.51 0.00 -0.71 0.00 0.00 39.64 39.74 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 0.88 0.00 -0.87 0.38 2.10 -0.78 -3.22 116.57 115.06 1cqg h LYS 39 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1cqg h LYS 39 Cb 0.33 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.59 1cqg h LYS 39 CO 0.00 0.20 0.53 -1.35 -2.00 0.00 0.00 179.45 176.83 1cqg h PRO 40 N 0.00 0.92 -0.26 0.07 0.11 -1.78 0.53 132.00 131.59 1cqg h PRO 40 Ca -0.00 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1cqg h PRO 40 Cb 0.36 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1cqg h PRO 40 CO 0.03 0.61 -0.11 0.74 -0.21 0.00 0.00 178.00 179.05 1cqg h PHE 41 N 0.95 0.61 0.38 0.65 -1.00 -1.88 0.80 116.94 117.45 1cqg h PHE 41 Ca 0.39 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 61.00 1cqg h PHE 41 Cb 0.23 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1cqg h PHE 41 CO -0.03 0.78 -0.18 0.35 -1.61 0.00 0.00 178.31 177.62 1cqg h PHE 42 N 0.27 -0.47 -0.38 -0.55 3.57 -1.51 -1.54 116.94 116.34 1cqg h PHE 42 Ca 0.06 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 42 Cb 0.61 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1cqg h PHE 42 CO 0.06 -0.26 -0.17 1.25 -2.23 0.00 0.00 178.31 176.96 1cqg h HIS 43 N -0.56 0.90 -0.76 0.41 2.76 0.06 -3.12 115.15 114.83 1cqg h HIS 43 Ca -0.05 -0.22 -0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1cqg h HIS 43 Cb 0.42 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1cqg h HIS 43 CO -0.04 0.96 0.47 0.77 -1.30 0.00 0.00 177.93 178.79 1cqg h SER 44 N 0.58 0.89 0.29 3.26 0.02 0.68 -1.94 113.55 117.32 1cqg h SER 44 Ca 0.09 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1cqg h SER 44 Cb 0.71 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1cqg h SER 44 CO 0.05 0.68 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.32 1cqg h LEU 45 N 1.04 0.00 -1.06 5.07 3.38 -1.21 -2.78 115.31 119.75 1cqg h LEU 45 Ca 0.27 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.43 1cqg h LEU 45 Cb -0.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 1cqg h LEU 45 CO -0.05 0.03 0.61 0.28 0.09 0.00 0.00 178.44 179.40 1cqg h SER 46 N 0.00 0.76 1.45 -0.43 0.02 -1.42 0.79 113.55 114.72 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 0.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1cqg h SER 46 CO 0.00 0.28 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.44 1cqg h GLU 47 N 0.75 0.00 0.10 3.45 4.39 -1.68 -2.29 114.58 119.29 1cqg h GLU 47 Ca 0.56 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.99 1cqg h GLU 47 Cb 0.90 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1cqg h GLU 47 CO -0.35 0.00 -1.17 -0.22 -1.16 0.00 0.00 179.01 176.10 1cqg h LYS 48 N 0.00 0.41 -2.17 2.33 3.64 0.37 -3.34 116.57 117.81 1cqg h LYS 48 Ca 0.00 -0.58 -0.59 0.00 -1.27 0.00 0.00 60.65 58.22 1cqg h LYS 48 Cb 0.83 0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.43 1cqg h LYS 48 CO 0.00 1.24 -0.71 0.66 -2.27 0.00 0.00 179.45 178.37 1cqg n TYR 49 N -3.67 2.92 0.20 1.91 4.01 0.59 -4.86 117.16 118.26 1cqg n TYR 49 Ca -0.10 -4.02 0.04 0.00 -0.16 0.00 0.00 57.90 53.66 1cqg n TYR 49 Cb 0.97 -0.51 0.16 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.06 -0.56 7.72 3.41 -0.87 -0.05 113.62 124.04 1cqg n SER 50 Ca 0.28 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 1cqg n SER 50 Cb 0.44 -0.53 0.31 0.00 -0.26 0.00 0.00 64.21 64.17 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 1.67 -4.21 4.04 5.15 -1.26 -4.79 115.26 114.30 1cqg n ASN 51 Ca 0.01 -1.79 -0.24 0.00 -0.60 0.00 0.00 54.58 51.95 1cqg n ASN 51 Cb 0.07 -0.14 -0.14 0.00 -0.53 0.00 0.00 39.78 39.03 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 -1.71 1.49 -0.28 3.44 1.01 0.92 -4.49 120.40 120.78 1cqg s VAL 52 Ca 0.29 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1cqg s VAL 52 Cb 0.16 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1cqg s VAL 52 CO 0.23 0.22 0.19 -0.63 0.00 0.00 0.00 175.10 175.11 1cqg s ILE 53 N -0.70 5.31 -0.21 2.22 -1.09 -0.82 -4.89 121.20 121.02 1cqg s ILE 53 Ca 0.06 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.57 1cqg s ILE 53 Cb -0.08 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1cqg s ILE 53 CO 0.01 0.25 0.12 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.72 3.35 -0.07 3.97 0.40 -1.26 -2.12 117.98 123.97 1cqg s PHE 54 Ca 0.07 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1cqg s PHE 54 Cb -0.16 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1cqg s PHE 54 CO 0.11 0.20 -0.07 -0.51 0.70 0.00 0.00 175.22 175.65 1cqg s LEU 55 N 0.55 3.18 -0.13 -0.37 1.02 0.57 -3.12 118.68 120.37 1cqg s LEU 55 Ca 0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 54.13 54.18 1cqg s LEU 55 Cb -0.12 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 1cqg s LEU 55 CO 0.00 0.36 -0.06 -0.70 0.02 0.00 0.00 176.35 175.98 1cqg s GLU 56 N -0.81 3.44 -0.06 1.70 2.12 -1.07 -0.96 118.70 123.06 1cqg s GLU 56 Ca 0.12 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.93 1cqg s GLU 56 Cb -0.11 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1cqg s GLU 56 CO 0.01 0.33 -0.10 0.08 -0.54 0.00 0.00 175.26 175.04 1cqg s VAL 57 N 0.11 0.99 -0.25 3.70 1.01 0.16 -2.57 120.40 123.55 1cqg s VAL 57 Ca -0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1cqg s VAL 57 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1cqg s VAL 57 CO 0.03 0.32 0.48 -0.62 0.00 0.00 0.00 175.10 175.31 1cqg s ASP 58 N 0.70 6.42 0.52 3.32 2.15 -1.26 -3.63 116.67 124.88 1cqg s ASP 58 Ca -0.14 0.50 0.33 0.00 0.43 0.00 0.00 52.55 53.68 1cqg s ASP 58 Cb -0.15 -2.27 1.46 0.00 -0.30 0.00 0.00 42.92 41.66 1cqg s ASP 58 CO 0.03 -0.24 1.99 -0.37 -0.17 0.00 0.00 175.17 176.41 1cqg h VAL 59 N 5.32 0.00 0.09 1.11 -1.51 -1.74 0.93 116.25 120.46 1cqg h VAL 59 Ca -0.31 -0.38 -0.37 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.15 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 1cqg h VAL 59 CO 0.71 0.00 -2.11 0.47 -1.23 0.00 0.00 177.57 175.40 1cqg n ASP 60 N -2.93 2.07 0.01 4.19 9.92 -1.26 -2.72 116.55 125.83 1cqg n ASP 60 Ca 0.00 0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1cqg n ASP 60 Cb 0.25 -0.74 -0.09 0.00 -0.64 0.00 0.00 41.12 39.91 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 -3.42 0.58 -2.21 -2.24 8.00 -1.19 -4.19 116.55 111.88 1cqg n ASP 61 Ca -0.35 -0.45 -0.14 0.00 0.71 0.00 0.00 54.79 54.56 1cqg n ASP 61 Cb 1.03 1.22 0.04 0.00 -0.02 0.00 0.00 41.12 43.39 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 -1.83 4.12 0.31 2.24 0.00 0.32 -4.79 120.51 120.89 1cqg n ALA 62 Ca 0.01 -3.40 0.18 0.00 0.00 0.00 0.00 53.44 50.23 1cqg n ALA 62 Cb 0.43 -0.51 1.03 0.00 0.00 0.00 0.00 19.45 20.41 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 2.24 0.00 -0.73 0.00 3.07 -1.39 -1.46 115.11 116.84 1cqg h GLN 63 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.85 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 0.53 0.00 0.20 0.38 0.09 0.00 0.00 178.83 180.02 1cqg h ASP 64 N 0.00 1.09 -0.20 0.06 3.04 -1.88 0.46 116.42 119.01 1cqg h ASP 64 Ca 0.00 -0.22 -0.08 0.00 -3.24 0.00 0.00 57.03 53.49 1cqg h ASP 64 Cb 0.03 -0.29 -0.00 0.00 -1.04 0.00 0.00 39.33 38.03 1cqg h ASP 64 CO -0.00 1.03 -0.18 0.58 -2.04 0.00 0.00 179.24 178.64 1cqg h VAL 65 N 1.10 1.33 -0.18 4.15 2.07 -1.61 -2.96 116.25 120.15 1cqg h VAL 65 Ca 0.23 -1.32 -0.18 0.00 0.82 0.00 0.00 66.70 66.25 1cqg h VAL 65 Cb 0.35 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1cqg h VAL 65 CO -0.00 0.40 -0.62 0.00 0.02 0.00 0.00 177.57 177.37 1cqg h ALA 66 N 0.65 0.57 -0.93 1.67 0.00 -1.40 -3.15 119.26 116.66 1cqg h ALA 66 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1cqg h ALA 66 Cb 0.71 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1cqg h ALA 66 CO 0.04 0.70 0.60 0.66 0.00 0.00 0.00 179.25 181.25 1cqg h SER 67 N 0.47 1.09 -0.54 0.00 4.64 -0.09 -0.49 113.55 118.63 1cqg h SER 67 Ca -0.01 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1cqg h SER 67 Cb 1.20 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1cqg h SER 67 CO 0.12 0.81 0.21 -0.08 -0.87 0.00 0.00 176.83 177.02 1cqg h GLU 68 N 1.27 0.86 -0.02 4.77 4.57 -1.50 -1.30 114.58 123.25 1cqg h GLU 68 Ca 0.34 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1cqg h GLU 68 Cb -0.12 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1cqg h GLU 68 CO -0.07 0.72 0.00 0.00 -1.18 0.00 0.00 179.01 178.48 1cqg n ALA 69 N -2.45 2.63 -3.77 2.92 0.00 -0.58 -4.92 120.51 114.34 1cqg n ALA 69 Ca 0.05 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 1cqg n ALA 69 Cb 0.18 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.43 -4.36 -1.95 0.00 -0.58 -0.30 -4.84 120.64 108.18 1cqg n GLU 70 Ca 0.21 0.56 -0.41 0.00 -0.42 0.00 0.00 57.16 57.09 1cqg n GLU 70 Cb 0.22 -4.98 -0.02 0.00 -0.57 0.00 0.00 31.44 26.09 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 -3.75 2.52 -0.52 2.62 1.01 -1.07 -4.87 120.40 116.34 1cqg s VAL 71 Ca 0.01 0.43 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1cqg s VAL 71 Cb -0.00 -3.28 -0.17 0.00 0.00 0.00 0.00 36.38 32.93 1cqg s VAL 71 CO 0.83 0.07 0.54 0.29 0.00 0.00 0.00 175.10 176.83 1cqg n LYS 72 N 2.45 1.84 -3.48 2.72 4.76 -1.26 -5.01 118.16 120.19 1cqg n LYS 72 Ca 0.08 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1cqg n LYS 72 Cb 0.39 -1.22 -0.04 0.00 -1.84 0.00 0.00 35.03 32.33 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 -2.51 -1.72 0.12 7.82 0.00 -1.26 -5.18 121.76 119.03 1cqg s ALA 73 Ca 0.03 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1cqg s ALA 73 Cb 0.10 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1cqg s ALA 73 CO 0.59 -0.56 -0.12 0.95 0.00 0.00 0.00 175.76 176.62 1cqg s THR 74 N -2.40 1.21 0.35 0.00 -4.23 -1.26 -4.16 115.64 105.15 1cqg s THR 74 Ca -0.04 -1.76 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 1cqg s THR 74 Cb -0.01 -1.54 -0.09 0.00 1.34 0.00 0.00 72.50 72.20 1cqg s THR 74 CO -0.02 -0.51 1.12 -2.16 -0.54 0.00 0.00 174.62 172.51 1cqg s PRO 75 N -2.88 4.32 -0.06 3.99 0.04 -1.26 -4.91 135.00 134.24 1cqg s PRO 75 Ca 0.09 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1cqg s PRO 75 Cb -0.03 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1cqg s PRO 75 CO 0.02 -0.07 -0.10 0.99 0.04 0.00 0.00 177.00 177.88 1cqg s THR 76 N -1.37 0.99 -0.16 1.26 2.01 -1.26 -2.87 115.64 114.24 1cqg s THR 76 Ca 0.52 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1cqg s THR 76 Cb -0.29 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1cqg s THR 76 CO 0.37 0.32 0.00 -0.36 -0.69 0.00 0.00 174.62 174.27 1cqg s PHE 77 N 0.72 3.12 -0.02 4.92 0.08 -0.61 -1.23 117.98 124.96 1cqg s PHE 77 Ca -0.14 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 56.84 1cqg s PHE 77 Cb -0.15 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1cqg s PHE 77 CO 0.03 0.06 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.32 1cqg s GLN 78 N 0.31 1.90 -0.11 0.44 -0.21 -0.18 -2.02 119.66 119.79 1cqg s GLN 78 Ca -0.01 -0.83 -0.03 0.00 0.02 0.00 0.00 55.36 54.50 1cqg s GLN 78 Cb -0.13 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 1cqg s GLN 78 CO 0.02 0.50 0.02 -0.06 -2.12 0.00 0.00 175.29 173.65 1cqg s PHE 79 N -0.53 3.22 0.07 0.91 0.40 -0.55 0.24 117.98 121.73 1cqg s PHE 79 Ca 0.09 0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1cqg s PHE 79 Cb -0.09 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 1cqg s PHE 79 CO -0.01 0.42 -0.14 -0.06 0.70 0.00 0.00 175.22 176.13 1cqg s PHE 80 N -0.63 1.20 -0.11 0.36 0.40 0.18 -1.88 117.98 117.51 1cqg s PHE 80 Ca 0.11 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1cqg s PHE 80 Cb -0.12 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.78 1cqg s PHE 80 CO 0.02 0.06 0.27 0.21 0.70 0.00 0.00 175.22 176.47 1cqg s LYS 81 N -1.79 0.22 -1.19 0.44 2.47 0.29 -2.22 119.74 117.96 1cqg s LYS 81 Ca -0.02 0.58 -0.03 0.00 -1.56 0.00 0.00 55.97 54.93 1cqg s LYS 81 Cb -0.10 -0.10 0.02 0.00 -1.46 0.00 0.00 37.83 36.19 1cqg s LYS 81 CO 0.02 -0.17 0.22 1.63 0.16 0.00 0.00 175.35 177.21 1cqg n LYS 82 N 4.31 -2.86 -1.28 4.03 5.02 -1.21 0.58 118.16 126.75 1cqg n LYS 82 Ca -0.24 0.60 -0.04 0.00 -2.02 0.00 0.00 58.31 56.61 1cqg n LYS 82 Cb 0.53 -5.26 -0.02 0.00 -0.02 0.00 0.00 35.03 30.26 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 -1.00 0.63 3.16 0.72 0.00 -1.26 -5.03 105.19 102.41 1cqg n GLY 83 Ca -0.10 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.68 1.20 -0.03 1.61 -0.21 0.20 -5.12 119.66 114.64 1cqg s GLN 84 Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 1cqg s GLN 84 Cb 0.00 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 1cqg s GLN 84 CO 0.00 0.32 1.12 0.21 -2.12 0.00 0.00 175.29 174.82 1cqg s LYS 85 N -0.73 4.42 0.00 2.91 2.20 -1.26 0.10 119.74 127.38 1cqg s LYS 85 Ca 0.05 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 1cqg s LYS 85 Cb -0.07 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1cqg s LYS 85 CO 0.00 -0.30 0.54 1.33 -0.36 0.00 0.00 175.35 176.57 1cqg n VAL 86 N 4.30 0.15 -3.61 4.02 0.24 -0.79 -4.91 118.33 117.72 1cqg n VAL 86 Ca 0.09 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1cqg n VAL 86 Cb 0.48 0.98 -0.01 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.15 -0.31 -0.13 7.63 0.00 -1.23 -4.97 107.32 108.16 1cqg s GLY 87 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 44.72 46.00 1cqg s GLY 87 CO 0.00 0.48 0.92 1.85 0.00 0.00 0.00 173.10 176.35 1cqg s GLU 88 N -2.01 0.70 -0.07 2.90 2.56 -1.26 -1.49 118.70 120.04 1cqg s GLU 88 Ca 0.13 0.17 -0.30 0.00 0.00 0.00 0.00 54.97 54.97 1cqg s GLU 88 Cb 0.02 0.33 0.11 0.00 2.00 0.00 0.00 34.13 36.60 1cqg s GLU 88 CO -0.04 -0.22 0.96 -0.59 -0.56 0.00 0.00 175.26 174.81 1cqg s PHE 89 N -1.12 -0.32 0.26 5.30 -0.12 -0.86 -5.03 117.98 116.10 1cqg s PHE 89 Ca -0.04 0.29 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1cqg s PHE 89 Cb -0.00 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 1cqg s PHE 89 CO 0.04 -0.45 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.16 1cqg s SER 90 N -2.12 2.58 0.00 1.98 1.04 -1.26 -1.57 113.70 114.34 1cqg s SER 90 Ca 0.04 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1cqg s SER 90 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1cqg s SER 90 CO -0.06 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1cqg n GLY 91 N -0.54 3.22 2.69 7.32 0.00 -1.14 -4.86 105.19 111.89 1cqg n GLY 91 Ca -0.06 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.07 5.64 -3.93 4.61 0.00 -1.26 -4.80 120.51 120.70 1cqg n ALA 92 Ca 0.00 -3.71 -0.31 0.00 0.00 0.00 0.00 53.44 49.42 1cqg n ALA 92 Cb 0.00 -3.51 -0.14 0.00 0.00 0.00 0.00 19.45 15.80 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 3.22 4.49 0.35 0.00 3.04 -1.26 -4.96 114.94 119.82 1cqg s ASN 93 Ca 0.52 -2.86 0.11 0.00 0.04 0.00 0.00 52.86 50.66 1cqg s ASN 93 Cb 0.15 -1.66 0.66 0.00 -1.54 0.00 0.00 41.25 38.86 1cqg s ASN 93 CO -0.06 -0.27 1.81 0.07 -3.04 0.00 0.00 177.10 175.61 1cqg h LYS 94 N 6.73 0.10 -0.01 0.43 -0.00 -1.96 -2.58 116.57 119.29 1cqg h LYS 94 Ca -0.07 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.65 60.46 1cqg h LYS 94 Cb 0.92 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.13 1cqg h LYS 94 CO 0.67 0.43 -0.37 0.93 -0.00 0.00 0.00 179.45 181.11 1cqg h GLU 95 N 0.09 0.01 -0.52 0.07 3.07 -2.00 -2.41 114.58 112.89 1cqg h GLU 95 Ca 0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1cqg h GLU 95 Cb 0.65 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1cqg h GLU 95 CO 0.05 0.38 0.32 -0.22 -1.40 0.00 0.00 179.01 178.14 1cqg h LYS 96 N 0.01 0.69 -0.91 2.33 3.64 -1.88 -1.00 116.57 119.45 1cqg h LYS 96 Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 96 Cb 0.66 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1cqg h LYS 96 CO 0.05 0.48 0.60 -0.07 -2.27 0.00 0.00 179.45 178.24 1cqg h LEU 97 N 0.71 1.02 -0.55 5.20 3.38 -1.50 -2.27 115.31 121.31 1cqg h LEU 97 Ca 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1cqg h LEU 97 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1cqg h LEU 97 CO -0.04 0.73 0.24 -0.08 0.09 0.00 0.00 178.44 179.38 1cqg h GLU 98 N 1.20 0.81 -0.23 1.13 4.81 -1.24 -2.57 114.58 118.49 1cqg h GLU 98 Ca 0.34 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1cqg h GLU 98 Cb -0.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1cqg h GLU 98 CO -0.09 0.68 -0.25 0.00 -0.73 0.00 0.00 179.01 178.62 1cqg h ALA 99 N 1.08 0.34 -0.77 2.92 0.00 -1.30 -2.64 119.26 118.89 1cqg h ALA 99 Ca 0.19 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1cqg h ALA 99 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 99 CO -0.02 0.33 0.30 1.15 0.00 0.00 0.00 179.25 181.01 1cqg h THR 100 N 0.28 1.26 -0.07 0.00 2.02 -1.39 0.21 112.91 115.22 1cqg h THR 100 Ca 0.03 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1cqg h THR 100 Cb 0.82 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1cqg h THR 100 CO 0.06 0.33 0.03 0.40 0.37 0.00 0.00 175.52 176.71 1cqg h ILE 101 N 1.12 1.13 -0.67 3.11 2.04 -1.47 0.18 117.51 122.95 1cqg h ILE 101 Ca 0.26 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1cqg h ILE 101 Cb 0.21 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1cqg h ILE 101 CO -0.02 0.11 0.45 -1.13 0.00 0.00 0.00 178.15 177.55 1cqg h ASN 102 N -0.04 0.76 -0.51 1.72 -0.73 -1.18 1.31 115.58 116.92 1cqg h ASN 102 Ca 0.02 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 1cqg h ASN 102 Cb 0.15 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 1cqg h ASN 102 CO -0.00 0.55 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.41 1cqg h GLU 103 N 0.90 1.00 -0.07 6.67 4.57 0.16 -3.15 114.58 124.66 1cqg h GLU 103 Ca 0.25 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1cqg h GLU 103 Cb -0.09 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1cqg h GLU 103 CO -0.06 1.05 0.00 1.28 -1.18 0.00 0.00 179.01 180.10 1cqg n LEU 104 N -4.14 2.98 0.00 1.64 4.77 0.57 -5.08 117.00 117.74 1cqg n LEU 104 Ca 0.01 -1.06 0.07 0.00 -0.03 0.00 0.00 56.01 55.00 1cqg n LEU 104 Cb 0.40 -0.03 0.39 0.00 -2.33 0.00 0.00 43.42 41.86 1cqg n LEU 104 CO 0.45 0.52 0.61 0.55 -1.33 0.00 0.00 177.39 178.19