#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 5.46 -0.07 3.17 1.01 -1.26 -3.80 120.40 124.90 1cqg s VAL 2 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1cqg s VAL 2 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1cqg s VAL 2 CO 0.00 0.49 -0.08 -0.75 0.00 0.00 0.00 175.10 174.76 1cqg s LYS 3 N -1.42 1.36 -0.21 2.72 2.20 -1.04 -5.04 119.74 118.31 1cqg s LYS 3 Ca 0.21 -0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.40 1cqg s LYS 3 Cb -0.12 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 1cqg s LYS 3 CO 0.11 -0.09 0.36 -1.14 -0.36 0.00 0.00 175.35 174.23 1cqg s GLN 4 N 1.03 4.14 -0.32 4.03 0.74 -1.26 -2.08 119.66 125.94 1cqg s GLN 4 Ca -0.08 0.12 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 1cqg s GLN 4 Cb -0.14 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.40 1cqg s GLN 4 CO -0.00 -0.05 0.20 0.42 -0.55 0.00 0.00 175.29 175.31 1cqg s ILE 5 N 1.35 5.06 -2.25 -2.34 -1.09 -1.01 -4.93 121.20 115.99 1cqg s ILE 5 Ca 0.17 -0.21 0.24 0.00 -2.23 0.00 0.00 60.65 58.62 1cqg s ILE 5 Cb -0.15 -3.55 0.09 0.00 -1.58 0.00 0.00 42.46 37.27 1cqg s ILE 5 CO 0.08 0.07 1.20 -0.62 -1.23 0.00 0.00 174.94 174.44 1cqg n GLU 6 N 5.06 1.44 -3.68 2.79 -0.58 -1.26 -4.43 120.64 119.97 1cqg n GLU 6 Ca -0.13 -1.16 -0.10 0.00 -0.42 0.00 0.00 57.16 55.35 1cqg n GLU 6 Cb 0.50 -1.48 -0.05 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 -2.35 -0.16 0.34 1.62 1.04 -1.26 -4.45 113.70 108.48 1cqg s SER 7 Ca 0.22 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.31 1cqg s SER 7 Cb 0.19 0.44 0.61 0.00 0.10 0.00 0.00 66.02 67.36 1cqg s SER 7 CO 0.50 -0.82 1.88 0.50 0.98 0.00 0.00 173.24 176.27 1cqg h LYS 8 N 2.45 0.51 -0.49 4.02 3.64 -1.92 -1.01 116.57 123.78 1cqg h LYS 8 Ca -0.34 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1cqg h LYS 8 Cb 1.24 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1cqg h LYS 8 CO 0.49 0.54 0.22 1.15 -2.27 0.00 0.00 179.45 179.58 1cqg h THR 9 N 0.49 0.91 -0.04 1.00 2.02 -1.98 0.10 112.91 115.41 1cqg h THR 9 Ca 0.10 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 1cqg h THR 9 Cb 0.33 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1cqg h THR 9 CO 0.01 0.08 -0.47 0.00 0.37 0.00 0.00 175.52 175.51 1cqg h ALA 10 N 1.29 1.15 -0.68 6.16 0.00 -1.81 -2.58 119.26 122.79 1cqg h ALA 10 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 10 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 10 CO -0.18 0.61 0.45 0.35 0.00 0.00 0.00 179.25 180.47 1cqg h PHE 11 N 0.08 0.85 -0.40 0.00 3.57 0.44 0.19 116.94 121.66 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 0.86 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1cqg h PHE 11 CO 0.01 0.54 -0.03 1.96 -2.23 0.00 0.00 178.31 178.56 1cqg h GLN 12 N 0.92 0.73 -0.79 1.11 1.08 -0.88 -1.97 115.11 115.30 1cqg h GLN 12 Ca 0.25 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1cqg h GLN 12 Cb -0.10 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 1cqg h GLN 12 CO -0.05 0.83 0.37 0.93 -0.95 0.00 0.00 178.83 179.96 1cqg h GLU 13 N 0.56 1.14 -0.54 1.46 4.39 -1.01 -1.54 114.58 119.04 1cqg h GLU 13 Ca 0.11 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1cqg h GLU 13 Cb 0.52 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1cqg h GLU 13 CO 0.03 0.89 -0.09 0.00 -1.16 0.00 0.00 179.01 178.67 1cqg h ALA 14 N 1.19 0.74 -0.88 3.43 0.00 -0.51 0.18 119.26 123.42 1cqg h ALA 14 Ca 0.27 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cqg h ALA 14 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1cqg h ALA 14 CO -0.03 0.64 0.54 -0.07 0.00 0.00 0.00 179.25 180.33 1cqg h LEU 15 N 0.89 1.05 -0.71 0.00 3.38 -0.98 0.17 115.31 119.11 1cqg h LEU 15 Ca 0.14 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1cqg h LEU 15 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cqg h LEU 15 CO 0.05 0.80 -0.47 -0.78 0.09 0.00 0.00 178.44 178.13 1cqg h ASP 16 N 1.21 0.45 -0.17 -0.43 1.82 -0.87 -3.07 116.42 115.36 1cqg h ASP 16 Ca 0.32 -0.22 -0.15 0.00 -0.39 0.00 0.00 57.03 56.59 1cqg h ASP 16 Cb -0.06 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1cqg h ASP 16 CO -0.06 0.85 -0.45 0.00 -1.61 0.00 0.00 179.24 177.98 1cqg h ALA 17 N 1.16 0.68 -0.09 -0.78 0.00 0.36 -2.93 119.26 117.65 1cqg h ALA 17 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 17 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cqg h ALA 17 CO 0.08 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.95 1cqg h ALA 18 N 0.91 1.75 -0.61 0.00 0.00 -0.61 -3.47 119.26 117.23 1cqg h ALA 18 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cqg h ALA 18 Cb 1.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1cqg h ALA 18 CO 0.10 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1cqg n GLY 19 N -1.21 2.62 0.57 0.00 0.00 -1.11 -2.22 105.19 103.85 1cqg n GLY 19 Ca -0.01 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 6.56 1.75 -4.79 1.61 8.00 -1.26 -3.16 116.55 125.26 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 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 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 3.66 0.82 -1.24 1.02 -0.94 -4.74 119.74 116.45 1cqg s LYS 21 Ca 0.35 1.38 -0.13 0.00 0.02 0.00 0.00 55.97 57.59 1cqg s LYS 21 Cb 0.19 -2.07 0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1cqg s LYS 21 CO 0.30 -0.55 1.20 -1.17 -0.92 0.00 0.00 175.35 174.21 1cqg s LEU 22 N -3.68 3.10 -0.18 3.17 0.20 -1.26 -4.55 118.68 115.48 1cqg s LEU 22 Ca 0.68 2.35 -0.04 0.00 0.69 0.00 0.00 54.13 57.81 1cqg s LEU 22 Cb -0.17 -4.59 0.08 0.00 -0.43 0.00 0.00 46.19 41.08 1cqg s LEU 22 CO 0.23 -2.73 0.19 -0.69 -0.29 0.00 0.00 176.35 173.06 1cqg s VAL 23 N -2.20 -0.27 -0.09 1.68 1.01 -0.71 -2.13 120.40 117.69 1cqg s VAL 23 Ca 0.72 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1cqg s VAL 23 Cb -0.28 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1cqg s VAL 23 CO 0.51 -0.17 0.14 -0.69 0.00 0.00 0.00 175.10 174.89 1cqg s VAL 24 N 2.29 5.37 -0.14 2.92 1.01 -0.79 -0.30 120.40 130.77 1cqg s VAL 24 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1cqg s VAL 24 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1cqg s VAL 24 CO -0.11 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1cqg s VAL 25 N -1.09 1.56 -0.27 2.92 1.01 0.68 0.01 120.40 125.23 1cqg s VAL 25 Ca 0.18 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1cqg s VAL 25 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1cqg s VAL 25 CO 0.07 0.46 0.24 -0.62 0.00 0.00 0.00 175.10 175.25 1cqg s ASP 26 N 1.35 6.11 -0.19 3.32 2.15 0.08 -1.32 116.67 128.16 1cqg s ASP 26 Ca 0.02 0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.22 1cqg s ASP 26 Cb -0.13 -2.14 0.67 0.00 -0.30 0.00 0.00 42.92 41.01 1cqg s ASP 26 CO -0.08 -0.06 1.52 0.49 -0.17 0.00 0.00 175.17 176.87 1cqg n PHE 27 N 4.96 1.69 -1.65 -5.34 3.72 -0.17 0.22 117.46 120.90 1cqg n PHE 27 Ca -0.13 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.28 1cqg n PHE 27 Cb 0.52 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.54 1.76 -4.71 4.37 7.64 -1.24 -4.21 113.62 117.77 1cqg n SER 28 Ca 0.23 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.75 1cqg n SER 28 Cb 1.01 -1.41 -0.03 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 -1.24 3.21 0.30 -0.43 0.00 -1.26 -4.21 121.76 118.13 1cqg s ALA 29 Ca 0.63 0.46 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1cqg s ALA 29 Cb -0.54 -3.29 0.49 0.00 0.00 0.00 0.00 23.12 19.77 1cqg s ALA 29 CO 0.57 -0.26 1.72 0.00 0.00 0.00 0.00 175.76 177.79 1cqg h THR 30 N 4.83 1.30 0.00 0.00 1.03 -1.91 -2.51 112.91 115.65 1cqg h THR 30 Ca -0.40 -1.47 -0.02 0.00 -0.01 0.00 0.00 66.41 64.51 1cqg h THR 30 Cb 1.21 1.66 -0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1cqg h THR 30 CO 0.76 0.44 -0.10 4.11 -0.01 0.00 0.00 175.52 180.72 1cqg h TRP 31 N 0.19 0.00 -3.54 0.00 5.08 -2.02 -3.42 115.95 112.24 1cqg h TRP 31 Ca 0.02 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.39 1cqg h TRP 31 Cb 0.78 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.85 1cqg h TRP 31 CO 0.01 0.10 0.58 0.00 -1.28 0.00 0.00 178.44 177.85 1cqg h GLY 33 N 10.18 -0.28 0.05 0.00 0.00 -1.84 -0.22 103.07 110.96 1cqg h GLY 33 Ca -0.24 0.10 0.24 0.00 0.00 0.00 0.00 47.33 47.43 1cqg h GLY 33 CO 0.99 -0.10 0.64 -2.55 0.00 0.00 0.00 176.54 175.52 1cqg h PRO 34 N -0.28 0.43 0.07 4.80 0.11 -1.94 0.35 132.00 135.54 1cqg h PRO 34 Ca -0.03 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1cqg h PRO 34 Cb 0.22 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.24 1cqg h PRO 34 CO 0.05 0.29 -0.52 0.00 -0.21 0.00 0.00 178.00 177.60 1cqg h ALA 35 N 1.62 -0.03 -0.34 -0.75 0.00 -1.77 -3.24 119.26 114.73 1cqg h ALA 35 Ca 0.55 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1cqg h ALA 35 Cb 1.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1cqg h ALA 35 CO -0.26 0.25 0.23 -0.22 0.00 0.00 0.00 179.25 179.24 1cqg h LYS 36 N -0.50 0.37 -0.07 0.00 3.64 0.09 -0.31 116.57 119.79 1cqg h LYS 36 Ca -0.09 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1cqg h LYS 36 Cb 1.37 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1cqg h LYS 36 CO 0.10 0.25 0.06 1.98 -2.27 0.00 0.00 179.45 179.56 1cqg h MET 37 N 0.38 0.00 -0.00 1.90 4.05 -0.39 -0.20 114.93 120.67 1cqg h MET 37 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1cqg h MET 37 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1cqg h MET 37 CO -0.03 0.00 -0.11 -0.89 0.23 0.00 0.00 176.91 176.11 1cqg n ILE 38 N -4.19 0.00 0.16 1.77 5.41 -0.13 -4.20 119.36 118.19 1cqg n ILE 38 Ca -0.01 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.76 1cqg n ILE 38 Cb 0.16 -0.19 0.55 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.35 0.21 -0.99 0.38 2.10 -1.07 -2.94 116.57 114.60 1cqg h LYS 39 Ca 0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1cqg h LYS 39 Cb 0.37 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.60 1cqg h LYS 39 CO 0.00 0.14 0.65 -1.35 -2.00 0.00 0.00 179.45 176.90 1cqg h PRO 40 N 0.21 1.28 -0.05 0.07 0.11 -1.79 0.61 132.00 132.44 1cqg h PRO 40 Ca 0.06 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1cqg h PRO 40 Cb -0.01 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 30.81 1cqg h PRO 40 CO -0.01 0.85 -0.03 0.74 -0.21 0.00 0.00 178.00 179.34 1cqg h PHE 41 N 1.32 0.13 0.06 0.65 -1.00 -1.83 1.08 116.94 117.35 1cqg h PHE 41 Ca 0.37 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.12 1cqg h PHE 41 Cb -0.12 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1cqg h PHE 41 CO -0.00 0.50 -0.03 0.35 -1.61 0.00 0.00 178.31 177.52 1cqg h PHE 42 N -0.29 -0.07 -0.42 -0.55 3.57 -1.48 0.04 116.94 117.75 1cqg h PHE 42 Ca 0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1cqg h PHE 42 Cb 0.47 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1cqg h PHE 42 CO 0.07 0.01 -0.16 1.25 -2.23 0.00 0.00 178.31 177.25 1cqg h HIS 43 N -0.14 0.96 -0.55 0.41 2.76 0.22 -3.10 115.15 115.71 1cqg h HIS 43 Ca -0.01 -0.23 -0.07 0.00 -2.20 0.00 0.00 60.37 57.87 1cqg h HIS 43 Cb 0.12 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1cqg h HIS 43 CO -0.06 0.99 0.07 0.77 -1.30 0.00 0.00 177.93 178.40 1cqg h SER 44 N 0.66 0.85 0.29 3.26 0.02 0.14 -2.52 113.55 116.24 1cqg h SER 44 Ca 0.10 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 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 0.87 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.47 1cqg h LEU 45 N 0.84 0.00 -1.02 5.07 3.38 -0.91 -2.48 115.31 120.19 1cqg h LEU 45 Ca 0.17 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1cqg h LEU 45 Cb 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 1cqg h LEU 45 CO 0.01 0.06 0.62 0.28 0.09 0.00 0.00 178.44 179.51 1cqg h SER 46 N 0.00 0.86 1.52 -0.43 0.02 -1.42 0.60 113.55 114.69 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 0.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1cqg h SER 46 CO 0.01 0.40 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.51 1cqg h GLU 47 N 0.89 0.00 -0.01 3.45 4.39 -1.62 -2.62 114.58 119.05 1cqg h GLU 47 Ca 0.53 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.00 1cqg h GLU 47 Cb 0.67 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1cqg h GLU 47 CO -0.31 0.00 -0.96 -0.22 -1.16 0.00 0.00 179.01 176.36 1cqg h LYS 48 N 0.00 0.53 -2.18 2.33 3.64 0.09 -3.32 116.57 117.64 1cqg h LYS 48 Ca 0.00 -0.55 -0.59 0.00 -1.27 0.00 0.00 60.65 58.24 1cqg h LYS 48 Cb 0.89 0.15 -0.42 0.00 -0.41 0.00 0.00 32.23 32.44 1cqg h LYS 48 CO 0.00 1.18 -0.65 0.66 -2.27 0.00 0.00 179.45 178.37 1cqg n TYR 49 N -3.79 3.32 0.19 1.91 4.01 0.62 -4.86 117.16 118.57 1cqg n TYR 49 Ca -0.08 -4.08 0.04 0.00 -0.16 0.00 0.00 57.90 53.62 1cqg n TYR 49 Cb 0.84 -0.53 0.21 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.73 0.13 -0.66 7.72 3.41 -0.99 -0.17 113.62 123.79 1cqg n SER 50 Ca 0.29 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.52 1cqg n SER 50 Cb 0.42 -0.57 0.21 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.67 1.93 -4.20 4.04 5.15 -1.26 -4.63 115.26 114.63 1cqg n ASN 51 Ca 0.01 -1.94 -0.22 0.00 -0.60 0.00 0.00 54.58 51.83 1cqg n ASN 51 Cb 0.07 -0.22 -0.13 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 -1.56 1.38 -0.26 3.44 1.01 0.76 -4.52 120.40 120.65 1cqg s VAL 52 Ca 0.27 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1cqg s VAL 52 Cb 0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1cqg s VAL 52 CO 0.19 0.06 0.18 -0.63 0.00 0.00 0.00 175.10 174.90 1cqg s ILE 53 N -0.89 5.33 -0.20 2.22 -1.09 -0.91 -4.56 121.20 121.11 1cqg s ILE 53 Ca 0.04 0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.56 1cqg s ILE 53 Cb -0.09 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1cqg s ILE 53 CO 0.02 0.29 0.07 -0.36 -1.23 0.00 0.00 174.94 173.73 1cqg s PHE 54 N 1.44 3.23 -0.06 3.97 0.40 -1.25 -1.88 117.98 123.83 1cqg s PHE 54 Ca 0.07 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1cqg s PHE 54 Cb -0.15 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1cqg s PHE 54 CO 0.08 0.07 -0.09 -0.51 0.70 0.00 0.00 175.22 175.47 1cqg s LEU 55 N 0.63 3.06 -0.14 -0.37 1.02 0.10 -2.49 118.68 120.49 1cqg s LEU 55 Ca 0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.11 1cqg s LEU 55 Cb -0.13 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1cqg s LEU 55 CO 0.01 0.36 -0.09 -0.70 0.02 0.00 0.00 176.35 175.95 1cqg s GLU 56 N -0.79 3.51 -0.02 1.70 2.12 -0.88 -0.74 118.70 123.60 1cqg s GLU 56 Ca 0.12 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.89 1cqg s GLU 56 Cb -0.11 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1cqg s GLU 56 CO 0.01 0.22 -0.16 0.08 -0.54 0.00 0.00 175.26 174.87 1cqg s VAL 57 N 0.36 1.31 -0.30 3.70 1.01 0.13 -2.41 120.40 124.20 1cqg s VAL 57 Ca -0.08 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1cqg s VAL 57 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1cqg s VAL 57 CO 0.04 0.37 0.24 -0.62 0.00 0.00 0.00 175.10 175.14 1cqg s ASP 58 N -0.30 6.07 0.49 3.32 -1.08 -1.26 -3.71 116.67 120.19 1cqg s ASP 58 Ca 0.04 -0.10 0.32 0.00 -0.52 0.00 0.00 52.55 52.30 1cqg s ASP 58 Cb -0.07 -2.14 1.43 0.00 -1.46 0.00 0.00 42.92 40.67 1cqg s ASP 58 CO -0.00 -0.14 1.96 -0.37 0.52 0.00 0.00 175.17 177.14 1cqg h VAL 59 N 5.42 0.00 0.07 1.11 -1.51 -1.73 1.00 116.25 120.60 1cqg h VAL 59 Ca -0.33 -0.34 -0.35 0.00 -1.23 0.00 0.00 66.70 64.46 1cqg h VAL 59 Cb 1.17 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 1cqg h VAL 59 CO 0.60 0.00 -1.93 0.47 -1.23 0.00 0.00 177.57 175.47 1cqg n ASP 60 N -2.83 2.03 0.03 4.19 9.92 -1.26 -2.93 116.55 125.69 1cqg n ASP 60 Ca 0.00 0.22 0.11 0.00 -0.53 0.00 0.00 54.79 54.59 1cqg n ASP 60 Cb 0.24 -0.82 -0.05 0.00 -0.64 0.00 0.00 41.12 39.84 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 -3.73 0.51 -1.79 -2.24 8.00 -1.18 -4.11 116.55 112.00 1cqg n ASP 61 Ca -0.36 -0.13 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 1cqg n ASP 61 Cb 0.94 1.11 0.06 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 4.49 0.34 2.24 0.00 0.34 -4.80 120.51 121.14 1cqg n ALA 62 Ca 0.00 -3.58 0.22 0.00 0.00 0.00 0.00 53.44 50.09 1cqg n ALA 62 Cb 0.48 -0.38 1.20 0.00 0.00 0.00 0.00 19.45 20.75 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 1.95 0.00 -0.38 0.00 3.07 -1.42 -0.51 115.11 117.82 1cqg h GLN 63 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.88 1cqg h GLN 63 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.96 1cqg h GLN 63 CO 0.55 0.00 -0.17 0.38 0.09 0.00 0.00 178.83 179.68 1cqg h ASP 64 N 0.00 0.71 -0.10 0.06 3.04 -1.87 0.38 116.42 118.65 1cqg h ASP 64 Ca 0.00 -0.23 -0.09 0.00 -3.24 0.00 0.00 57.03 53.47 1cqg h ASP 64 Cb 0.01 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.11 1cqg h ASP 64 CO -0.00 0.89 -0.29 0.58 -2.04 0.00 0.00 179.24 178.38 1cqg h VAL 65 N 0.64 1.40 -0.17 4.15 2.07 -1.43 -3.13 116.25 119.78 1cqg h VAL 65 Ca 0.10 -1.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.81 1cqg h VAL 65 Cb 0.64 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1cqg h VAL 65 CO 0.05 0.47 -0.61 0.00 0.02 0.00 0.00 177.57 177.50 1cqg h ALA 66 N 0.48 0.62 -0.69 1.67 0.00 -1.41 -3.12 119.26 116.82 1cqg h ALA 66 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1cqg h ALA 66 Cb 0.92 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1cqg h ALA 66 CO 0.06 0.70 0.43 0.66 0.00 0.00 0.00 179.25 181.10 1cqg h SER 67 N 0.43 0.81 -0.35 0.00 4.64 -0.31 -0.76 113.55 118.02 1cqg h SER 67 Ca -0.00 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1cqg h SER 67 Cb 1.17 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1cqg h SER 67 CO 0.11 0.61 0.07 -0.08 -0.87 0.00 0.00 176.83 176.68 1cqg h GLU 68 N 0.94 0.65 -0.01 4.77 4.22 -1.48 -1.86 114.58 121.81 1cqg h GLU 68 Ca 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1cqg h GLU 68 Cb -0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1cqg h GLU 68 CO -0.05 0.62 -0.05 0.00 -2.18 0.00 0.00 179.01 177.35 1cqg n ALA 69 N -2.47 2.68 -3.66 2.92 0.00 -0.42 -4.94 120.51 114.63 1cqg n ALA 69 Ca 0.03 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1cqg n ALA 69 Cb 0.22 -1.26 0.04 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 -0.32 -5.18 -2.07 0.00 4.71 -0.45 -4.88 120.64 112.45 1cqg n GLU 70 Ca 0.19 0.66 -0.41 0.00 -0.01 0.00 0.00 57.16 57.58 1cqg n GLU 70 Cb 0.29 -5.29 -0.02 0.00 -1.01 0.00 0.00 31.44 25.41 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 -3.62 2.78 -0.30 2.62 1.01 -1.15 -4.89 120.40 116.86 1cqg s VAL 71 Ca 0.01 0.68 0.14 0.00 0.00 0.00 0.00 61.98 62.80 1cqg s VAL 71 Cb -0.00 -3.43 -0.18 0.00 0.00 0.00 0.00 36.38 32.76 1cqg s VAL 71 CO 0.80 0.12 0.42 0.29 0.00 0.00 0.00 175.10 176.73 1cqg n LYS 72 N 2.09 1.41 -3.48 2.72 4.76 -1.26 -5.01 118.16 119.38 1cqg n LYS 72 Ca 0.05 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 1cqg n LYS 72 Cb 0.41 -1.24 -0.04 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.64 -1.71 0.18 7.82 0.00 -1.26 -5.17 121.76 118.98 1cqg s ALA 73 Ca -0.00 0.97 0.09 0.00 0.00 0.00 0.00 51.96 53.02 1cqg s ALA 73 Cb 0.09 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1cqg s ALA 73 CO 0.56 -0.55 -0.18 0.95 0.00 0.00 0.00 175.76 176.54 1cqg s THR 74 N -2.32 1.89 0.29 0.00 -4.23 -1.26 -4.05 115.64 105.95 1cqg s THR 74 Ca -0.05 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 1cqg s THR 74 Cb -0.00 -1.90 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 1cqg s THR 74 CO -0.00 -0.32 1.02 -2.16 -0.54 0.00 0.00 174.62 172.61 1cqg s PRO 75 N -2.88 4.65 -0.07 3.99 0.04 -1.26 -4.88 135.00 134.58 1cqg s PRO 75 Ca 0.17 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1cqg s PRO 75 Cb -0.05 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.41 1cqg s PRO 75 CO 0.07 0.28 -0.16 0.99 0.04 0.00 0.00 177.00 178.22 1cqg s THR 76 N -1.30 1.44 -0.14 1.26 2.01 -1.26 -2.69 115.64 114.96 1cqg s THR 76 Ca 0.46 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1cqg s THR 76 Cb -0.27 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1cqg s THR 76 CO 0.34 0.42 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.30 1cqg s PHE 77 N 0.48 3.04 0.03 4.92 0.08 -0.47 -0.99 117.98 125.06 1cqg s PHE 77 Ca -0.14 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 56.76 1cqg s PHE 77 Cb -0.16 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1cqg s PHE 77 CO 0.05 0.04 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.33 1cqg s GLN 78 N 0.18 1.60 -0.12 0.44 -0.21 -0.44 -1.60 119.66 119.51 1cqg s GLN 78 Ca -0.01 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.40 1cqg s GLN 78 Cb -0.14 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1cqg s GLN 78 CO 0.03 0.44 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.53 1cqg s PHE 79 N -0.73 2.99 0.08 0.91 0.40 0.07 -0.23 117.98 121.47 1cqg s PHE 79 Ca 0.09 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1cqg s PHE 79 Cb -0.09 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1cqg s PHE 79 CO 0.01 0.12 -0.19 -0.06 0.70 0.00 0.00 175.22 175.80 1cqg s PHE 80 N -0.13 1.60 -0.12 0.36 0.40 0.59 -1.67 117.98 119.01 1cqg s PHE 80 Ca 0.02 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 1cqg s PHE 80 Cb -0.13 -0.90 0.05 0.00 0.51 0.00 0.00 43.02 42.55 1cqg s PHE 80 CO 0.03 0.14 0.27 0.21 0.70 0.00 0.00 175.22 176.56 1cqg s LYS 81 N -1.67 0.21 -1.33 0.44 2.20 0.22 -1.73 119.74 118.08 1cqg s LYS 81 Ca 0.04 0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 56.21 1cqg s LYS 81 Cb -0.10 -0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.17 1cqg s LYS 81 CO 0.03 -0.19 0.36 1.63 -0.36 0.00 0.00 175.35 176.82 1cqg n LYS 82 N 4.50 -3.37 -1.18 4.03 5.02 -1.19 0.67 118.16 126.64 1cqg n LYS 82 Ca -0.21 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 56.68 1cqg n LYS 82 Cb 0.52 -5.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.13 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 -1.16 0.81 3.17 0.72 0.00 -1.26 -5.02 105.19 102.45 1cqg n GLY 83 Ca -0.09 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.52 2.12 -0.06 1.61 -1.52 0.21 -5.11 119.66 114.39 1cqg s GLN 84 Ca 0.00 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.42 1cqg s GLN 84 Cb 0.00 -1.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.99 1cqg s GLN 84 CO 0.00 0.25 1.09 0.21 -0.25 0.00 0.00 175.29 176.59 1cqg s LYS 85 N 0.09 4.41 0.00 2.91 2.20 -1.26 0.71 119.74 128.81 1cqg s LYS 85 Ca -0.07 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1cqg s LYS 85 Cb -0.13 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1cqg s LYS 85 CO 0.04 -0.33 0.61 1.33 -0.36 0.00 0.00 175.35 176.64 1cqg n VAL 86 N 4.46 0.35 -3.64 4.02 0.24 -0.67 -4.95 118.33 118.14 1cqg n VAL 86 Ca 0.09 -0.57 -0.02 0.00 -2.04 0.00 0.00 64.34 61.81 1cqg n VAL 86 Cb 0.48 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.35 -0.22 -0.18 7.63 0.00 -1.24 -4.97 107.32 107.99 1cqg s GLY 87 Ca 0.00 1.86 -0.29 0.00 0.00 0.00 0.00 44.72 46.29 1cqg s GLY 87 CO 0.00 0.61 1.00 1.85 0.00 0.00 0.00 173.10 176.56 1cqg s GLU 88 N -2.03 0.58 0.11 2.90 -6.30 -1.26 -0.75 118.70 111.95 1cqg s GLU 88 Ca 0.12 0.23 -0.25 0.00 -2.50 0.00 0.00 54.97 52.58 1cqg s GLU 88 Cb -0.00 0.28 0.08 0.00 0.00 0.00 0.00 34.13 34.48 1cqg s GLU 88 CO -0.02 -0.16 0.68 -0.59 0.02 0.00 0.00 175.26 175.19 1cqg s PHE 89 N -0.85 -0.48 0.22 5.30 -0.12 -0.63 -5.01 117.98 116.41 1cqg s PHE 89 Ca -0.01 0.29 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 1cqg s PHE 89 Cb -0.01 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1cqg s PHE 89 CO 0.00 -0.77 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.73 1cqg s SER 90 N -2.68 2.65 0.00 1.98 1.04 -1.26 -1.37 113.70 114.06 1cqg s SER 90 Ca 0.02 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.40 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 -0.12 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1cqg n GLY 91 N -0.43 3.66 2.61 7.32 0.00 -1.09 -4.88 105.19 112.37 1cqg n GLY 91 Ca -0.07 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.52 5.98 -3.93 4.61 0.00 -1.26 -4.79 120.51 120.59 1cqg n ALA 92 Ca 0.00 -3.55 -0.32 0.00 0.00 0.00 0.00 53.44 49.56 1cqg n ALA 92 Cb 0.00 -3.45 -0.14 0.00 0.00 0.00 0.00 19.45 15.86 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 3.03 4.80 0.27 0.00 3.04 -1.26 -4.96 114.94 119.86 1cqg s ASN 93 Ca 0.55 -2.38 0.04 0.00 0.04 0.00 0.00 52.86 51.11 1cqg s ASN 93 Cb 0.15 -1.69 0.36 0.00 -1.54 0.00 0.00 41.25 38.53 1cqg s ASN 93 CO -0.05 -0.38 1.65 0.07 -3.04 0.00 0.00 177.10 175.35 1cqg h LYS 94 N 7.41 0.34 0.00 0.43 -0.00 -1.96 -2.85 116.57 119.93 1cqg h LYS 94 Ca -0.06 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.65 60.37 1cqg h LYS 94 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.61 0.71 -0.19 0.93 -0.00 0.00 0.00 179.45 181.51 1cqg h GLU 95 N 0.28 0.00 -0.68 0.07 4.39 -2.00 -2.09 114.58 114.55 1cqg h GLU 95 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.87 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1cqg h GLU 95 CO 0.07 0.19 0.42 -0.22 -1.16 0.00 0.00 179.01 178.31 1cqg h LYS 96 N 0.00 0.91 -0.99 2.33 3.64 -1.93 -1.27 116.57 119.26 1cqg h LYS 96 Ca -0.00 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.34 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1cqg h LYS 96 CO 0.03 0.63 0.64 -0.07 -2.27 0.00 0.00 179.45 178.41 1cqg h LEU 97 N 0.93 1.04 -0.62 5.20 3.38 -1.46 -1.97 115.31 121.81 1cqg h LEU 97 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1cqg h LEU 97 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1cqg h LEU 97 CO -0.05 0.68 0.37 -0.08 0.09 0.00 0.00 178.44 179.46 1cqg h GLU 98 N 1.19 0.85 -0.30 1.13 4.22 -1.29 -1.73 114.58 118.66 1cqg h GLU 98 Ca 0.41 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.69 1cqg h GLU 98 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1cqg h GLU 98 CO -0.15 0.61 -0.14 0.00 -2.18 0.00 0.00 179.01 177.15 1cqg h ALA 99 N 1.19 0.42 -0.65 2.92 0.00 -1.25 -2.15 119.26 119.73 1cqg h ALA 99 Ca 0.22 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1cqg h ALA 99 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1cqg h ALA 99 CO -0.04 0.30 0.09 1.15 0.00 0.00 0.00 179.25 180.76 1cqg h THR 100 N 0.37 1.26 -0.04 0.00 2.02 -1.32 0.96 112.91 116.17 1cqg h THR 100 Ca 0.07 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1cqg h THR 100 Cb 0.66 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1cqg h THR 100 CO 0.04 0.39 0.02 0.40 0.37 0.00 0.00 175.52 176.75 1cqg h ILE 101 N 1.01 1.05 -0.60 3.11 2.04 -1.28 0.12 117.51 122.96 1cqg h ILE 101 Ca 0.20 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1cqg h ILE 101 Cb 0.45 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1cqg h ILE 101 CO 0.01 0.04 0.38 -1.13 0.00 0.00 0.00 178.15 177.45 1cqg h ASN 102 N 0.01 0.70 -0.54 1.72 -0.73 -1.18 0.98 115.58 116.54 1cqg h ASN 102 Ca 0.01 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.04 1cqg h ASN 102 Cb 0.04 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1cqg h ASN 102 CO -0.00 0.52 -0.13 -0.08 -0.37 0.00 0.00 177.43 177.36 1cqg h GLU 103 N 0.82 1.04 -0.21 6.67 4.81 0.15 -3.12 114.58 124.74 1cqg h GLU 103 Ca 0.22 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1cqg h GLU 103 Cb -0.07 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1cqg h GLU 103 CO -0.04 1.09 0.00 1.28 -0.73 0.00 0.00 179.01 180.61 1cqg n LEU 104 N -4.13 3.17 0.00 1.64 4.77 0.34 -5.08 117.00 117.71 1cqg n LEU 104 Ca 0.01 -1.26 0.06 0.00 -0.03 0.00 0.00 56.01 54.79 1cqg n LEU 104 Cb 0.42 -0.12 0.38 0.00 -2.33 0.00 0.00 43.42 41.76 1cqg n LEU 104 CO 0.46 0.62 0.59 0.55 -1.33 0.00 0.00 177.39 178.28