#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 5.24 -0.06 2.03 1.01 -1.26 -4.54 120.40 122.82 1cqg s VAL 2 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1cqg s VAL 2 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1cqg s VAL 2 CO 0.00 -0.35 -0.11 -0.75 0.00 0.00 0.00 175.10 173.90 1cqg s LYS 3 N -3.97 1.51 -0.23 2.72 2.47 -1.12 -5.05 119.74 116.06 1cqg s LYS 3 Ca 0.35 -0.35 -0.13 0.00 -1.56 0.00 0.00 55.97 54.28 1cqg s LYS 3 Cb -0.09 -1.28 -0.04 0.00 -1.46 0.00 0.00 37.83 34.96 1cqg s LYS 3 CO 0.30 0.01 0.29 -1.14 0.16 0.00 0.00 175.35 174.97 1cqg s GLN 4 N 0.71 4.10 -0.32 4.03 0.74 -1.26 -2.22 119.66 125.43 1cqg s GLN 4 Ca -0.14 -0.03 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 1cqg s GLN 4 Cb -0.15 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 1cqg s GLN 4 CO 0.03 -0.05 0.19 0.42 -0.55 0.00 0.00 175.29 175.34 1cqg s ILE 5 N 1.36 4.95 -2.97 -2.34 -1.09 -1.07 -4.93 121.20 115.12 1cqg s ILE 5 Ca 0.13 -0.29 0.24 0.00 -2.23 0.00 0.00 60.65 58.51 1cqg s ILE 5 Cb -0.14 -3.52 0.21 0.00 -1.58 0.00 0.00 42.46 37.43 1cqg s ILE 5 CO 0.07 0.05 1.28 -0.62 -1.23 0.00 0.00 174.94 174.49 1cqg n GLU 6 N 5.04 2.31 -3.69 2.79 -0.58 -1.26 -4.40 120.64 120.85 1cqg n GLU 6 Ca -0.13 -1.91 -0.12 0.00 -0.42 0.00 0.00 57.16 54.58 1cqg n GLU 6 Cb 0.50 -1.46 -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 -1.99 -0.23 0.35 1.62 1.04 -1.26 -4.49 113.70 108.74 1cqg s SER 7 Ca 0.29 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.71 1cqg s SER 7 Cb 0.20 0.41 0.66 0.00 0.10 0.00 0.00 66.02 67.39 1cqg s SER 7 CO 0.30 -0.66 1.85 0.50 0.98 0.00 0.00 173.24 176.21 1cqg h LYS 8 N 3.03 0.32 -0.35 4.02 3.64 -1.92 -1.17 116.57 124.14 1cqg h LYS 8 Ca -0.32 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1cqg h LYS 8 Cb 1.21 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1cqg h LYS 8 CO 0.44 0.48 0.19 1.15 -2.27 0.00 0.00 179.45 179.45 1cqg h THR 9 N 0.30 1.01 -0.07 1.00 2.02 -1.99 -0.45 112.91 114.72 1cqg h THR 9 Ca 0.06 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1cqg h THR 9 Cb 0.46 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1cqg h THR 9 CO 0.03 0.07 -0.44 0.00 0.37 0.00 0.00 175.52 175.55 1cqg h ALA 10 N 1.17 1.13 -0.64 6.16 0.00 -1.85 -2.80 119.26 122.43 1cqg h ALA 10 Ca 0.14 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1cqg h ALA 10 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cqg h ALA 10 CO -0.08 0.60 0.42 0.35 0.00 0.00 0.00 179.25 180.53 1cqg h PHE 11 N 0.14 0.79 -0.44 0.00 3.57 0.09 0.32 116.94 121.42 1cqg h PHE 11 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1cqg h PHE 11 Cb 0.84 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1cqg h PHE 11 CO 0.01 0.49 0.11 1.96 -2.23 0.00 0.00 178.31 178.66 1cqg h GLN 12 N 0.85 0.69 -0.70 1.11 1.08 -0.95 -1.66 115.11 115.54 1cqg h GLN 12 Ca 0.24 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1cqg h GLN 12 Cb -0.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.06 0.69 0.27 0.93 -0.95 0.00 0.00 178.83 179.71 1cqg h GLU 13 N 0.57 1.06 -0.55 1.46 3.07 -1.14 -2.20 114.58 116.84 1cqg h GLU 13 Ca 0.14 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1cqg h GLU 13 Cb 0.31 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1cqg h GLU 13 CO 0.00 0.89 0.12 0.00 -1.40 0.00 0.00 179.01 178.62 1cqg h ALA 14 N 1.12 0.73 -1.00 3.43 0.00 -0.16 0.07 119.26 123.45 1cqg h ALA 14 Ca 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cqg h ALA 14 Cb 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1cqg h ALA 14 CO -0.02 0.45 0.66 -0.07 0.00 0.00 0.00 179.25 180.27 1cqg h LEU 15 N 0.79 1.14 -0.76 0.00 3.38 -1.07 -1.54 115.31 117.26 1cqg h LEU 15 Ca 0.17 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1cqg h LEU 15 Cb 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cqg h LEU 15 CO 0.00 0.82 -0.41 -0.78 0.09 0.00 0.00 178.44 178.16 1cqg h ASP 16 N 1.34 0.48 -0.30 -0.43 3.58 -0.82 -3.11 116.42 117.15 1cqg h ASP 16 Ca 0.37 -0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1cqg h ASP 16 Cb -0.14 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 1cqg h ASP 16 CO -0.08 0.84 -0.27 0.00 -2.88 0.00 0.00 179.24 176.84 1cqg h ALA 17 N 1.19 0.80 -0.10 -0.78 0.00 -0.06 -2.88 119.26 117.43 1cqg h ALA 17 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cqg h ALA 17 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cqg h ALA 17 CO 0.07 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.03 1cqg h ALA 18 N 1.00 1.91 -0.65 0.00 0.00 -1.26 -3.47 119.26 116.79 1cqg h ALA 18 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cqg h ALA 18 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cqg h ALA 18 CO 0.07 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1cqg n GLY 19 N -1.49 2.98 0.59 0.00 0.00 -1.09 -1.84 105.19 104.34 1cqg n GLY 19 Ca -0.02 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 7.12 1.79 -4.79 1.61 8.00 -1.26 -2.88 116.55 126.14 1cqg n ASP 20 Ca 0.00 -1.70 -0.35 0.00 0.71 0.00 0.00 54.79 53.45 1cqg n ASP 20 Cb 0.00 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.81 3.98 0.84 -1.24 1.02 -0.77 -4.75 119.74 117.01 1cqg s LYS 21 Ca 0.34 1.39 -0.12 0.00 0.02 0.00 0.00 55.97 57.60 1cqg s LYS 21 Cb 0.18 -2.27 0.10 0.00 -0.52 0.00 0.00 37.83 35.33 1cqg s LYS 21 CO 0.28 -0.28 1.17 -1.17 -0.92 0.00 0.00 175.35 174.43 1cqg s LEU 22 N -3.14 3.03 -0.15 3.17 0.20 -1.26 -4.56 118.68 115.97 1cqg s LEU 22 Ca 0.63 2.24 -0.05 0.00 0.69 0.00 0.00 54.13 57.65 1cqg s LEU 22 Cb -0.18 -4.57 0.07 0.00 -0.43 0.00 0.00 46.19 41.08 1cqg s LEU 22 CO 0.22 -2.74 0.27 -0.69 -0.29 0.00 0.00 176.35 173.11 1cqg s VAL 23 N -2.41 -0.42 -0.09 1.68 1.01 -0.71 -2.29 120.40 117.17 1cqg s VAL 23 Ca 0.69 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 1cqg s VAL 23 Cb -0.25 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1cqg s VAL 23 CO 0.53 0.06 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 1cqg s VAL 24 N 2.42 4.37 -0.14 2.92 1.01 -0.41 -0.32 120.40 130.25 1cqg s VAL 24 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1cqg s VAL 24 Cb -0.13 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1cqg s VAL 24 CO -0.09 0.60 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1cqg s VAL 25 N -0.83 1.73 -0.28 2.92 1.01 0.80 -0.18 120.40 125.58 1cqg s VAL 25 Ca 0.13 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1cqg s VAL 25 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1cqg s VAL 25 CO 0.02 0.49 0.27 -0.62 0.00 0.00 0.00 175.10 175.26 1cqg s ASP 26 N 1.17 6.12 -0.27 3.32 2.15 -0.07 -1.23 116.67 127.85 1cqg s ASP 26 Ca -0.01 0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.14 1cqg s ASP 26 Cb -0.14 -2.16 0.62 0.00 -0.30 0.00 0.00 42.92 40.94 1cqg s ASP 26 CO -0.07 -0.12 1.63 0.49 -0.17 0.00 0.00 175.17 176.94 1cqg n PHE 27 N 5.18 2.08 -1.71 -5.34 3.72 0.03 0.37 117.46 121.78 1cqg n PHE 27 Ca -0.12 -1.05 -0.38 0.00 -0.05 0.00 0.00 57.45 55.85 1cqg n PHE 27 Cb 0.51 -0.61 0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.09 2.26 -4.66 4.37 7.64 -1.24 -4.31 113.62 117.58 1cqg n SER 28 Ca 0.35 0.94 -0.41 0.00 1.01 0.00 0.00 58.87 60.76 1cqg n SER 28 Cb 1.23 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.33 3.55 0.37 -0.43 0.00 -1.26 -4.20 121.76 118.45 1cqg s ALA 29 Ca 0.73 -0.06 0.12 0.00 0.00 0.00 0.00 51.96 52.75 1cqg s ALA 29 Cb -0.42 -3.18 0.71 0.00 0.00 0.00 0.00 23.12 20.23 1cqg s ALA 29 CO 0.48 -0.68 1.83 0.00 0.00 0.00 0.00 175.76 177.39 1cqg h THR 30 N 5.23 1.26 0.00 0.00 1.03 -1.91 -2.28 112.91 116.24 1cqg h THR 30 Ca -0.29 -1.25 -0.08 0.00 -0.01 0.00 0.00 66.41 64.78 1cqg h THR 30 Cb 1.13 1.66 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 1cqg h THR 30 CO 0.83 0.36 -0.40 4.11 -0.01 0.00 0.00 175.52 180.41 1cqg h TRP 31 N 0.02 0.00 -3.24 0.00 5.08 -2.02 -3.42 115.95 112.37 1cqg h TRP 31 Ca 0.00 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.38 1cqg h TRP 31 Cb 0.65 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.73 1cqg h TRP 31 CO 0.00 0.40 0.53 0.00 -1.28 0.00 0.00 178.44 178.10 1cqg h GLY 33 N 9.12 -0.26 0.33 0.00 0.00 -1.83 -2.00 103.07 108.44 1cqg h GLY 33 Ca -0.23 0.10 0.20 0.00 0.00 0.00 0.00 47.33 47.40 1cqg h GLY 33 CO 0.89 -0.10 0.59 -2.55 0.00 0.00 0.00 176.54 175.37 1cqg h PRO 34 N -0.37 0.37 0.04 4.80 0.11 -1.93 0.16 132.00 135.18 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 0.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1cqg h PRO 34 CO 0.04 0.24 -0.02 0.00 -0.21 0.00 0.00 178.00 178.06 1cqg h ALA 35 N 1.61 -0.05 -0.74 -0.75 0.00 -1.77 -3.20 119.26 114.36 1cqg h ALA 35 Ca 0.46 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1cqg h ALA 35 Cb 1.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1cqg h ALA 35 CO -0.16 -0.08 0.49 -0.22 0.00 0.00 0.00 179.25 179.28 1cqg h LYS 36 N -0.95 0.98 -0.12 0.00 3.64 -1.09 -0.86 116.57 118.17 1cqg h LYS 36 Ca -0.01 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 36 Cb 0.60 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1cqg h LYS 36 CO 0.01 0.65 0.10 1.98 -2.27 0.00 0.00 179.45 179.92 1cqg h MET 37 N 1.01 0.00 0.00 1.90 4.05 -0.78 -0.56 114.93 120.55 1cqg h MET 37 Ca 0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1cqg h MET 37 Cb -0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1cqg h MET 37 CO -0.06 0.00 -0.42 -0.89 0.23 0.00 0.00 176.91 175.77 1cqg n ILE 38 N -4.20 0.17 0.17 1.77 5.41 -0.34 -4.24 119.36 118.10 1cqg n ILE 38 Ca -0.00 -0.12 0.02 0.00 1.00 0.00 0.00 62.75 63.65 1cqg n ILE 38 Cb 0.22 -0.07 0.34 0.00 -0.71 0.00 0.00 39.64 39.42 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 0.00 0.06 -1.01 0.38 2.10 -0.92 -3.19 116.57 113.98 1cqg h LYS 39 Ca 0.00 -0.02 0.24 0.00 -2.00 0.00 0.00 60.65 58.87 1cqg h LYS 39 Cb 0.60 -0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.84 1cqg h LYS 39 CO 0.00 0.41 0.65 -1.35 -2.00 0.00 0.00 179.45 177.16 1cqg h PRO 40 N 0.05 0.44 -0.30 0.07 0.11 -1.74 0.94 132.00 131.57 1cqg h PRO 40 Ca 0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1cqg h PRO 40 Cb 0.66 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1cqg h PRO 40 CO 0.05 0.29 -0.10 0.74 -0.21 0.00 0.00 178.00 178.77 1cqg h PHE 41 N 0.45 0.68 0.25 0.65 -1.00 -1.87 1.20 116.94 117.31 1cqg h PHE 41 Ca 0.57 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1cqg h PHE 41 Cb 1.35 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1cqg h PHE 41 CO -0.00 0.81 -0.12 0.35 -1.61 0.00 0.00 178.31 177.74 1cqg h PHE 42 N 0.36 -0.31 -0.52 -0.55 3.57 -0.09 0.06 116.94 119.46 1cqg h PHE 42 Ca 0.07 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 42 Cb 0.60 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1cqg h PHE 42 CO 0.05 -0.18 -0.15 1.25 -2.23 0.00 0.00 178.31 177.06 1cqg h HIS 43 N -0.35 1.15 -0.90 0.41 2.76 0.68 -3.02 115.15 115.89 1cqg h HIS 43 Ca -0.03 -0.26 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 1cqg h HIS 43 Cb 0.27 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 1cqg h HIS 43 CO -0.06 1.09 0.52 0.77 -1.30 0.00 0.00 177.93 178.95 1cqg h SER 44 N 0.89 1.09 0.23 3.26 0.02 0.17 -2.05 113.55 117.16 1cqg h SER 44 Ca 0.13 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1cqg h SER 44 Cb 0.73 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1cqg h SER 44 CO 0.06 0.86 0.00 -0.07 -1.14 0.00 0.00 176.83 176.53 1cqg h LEU 45 N 1.24 0.00 -1.29 5.07 3.38 -0.85 -2.34 115.31 120.52 1cqg h LEU 45 Ca 0.32 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.40 1cqg h LEU 45 Cb -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1cqg h LEU 45 CO -0.06 0.00 0.55 0.28 0.09 0.00 0.00 178.44 179.31 1cqg h SER 46 N 0.00 0.69 1.71 -0.43 0.02 -1.40 0.40 113.55 114.54 1cqg h SER 46 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 46 Cb 0.12 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1cqg h SER 46 CO 0.00 0.39 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.48 1cqg h GLU 47 N 0.75 0.00 0.03 3.45 3.07 -1.60 -2.57 114.58 117.71 1cqg h GLU 47 Ca 0.41 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.01 1cqg h GLU 47 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1cqg h GLU 47 CO -0.17 0.00 -1.05 -0.22 -1.40 0.00 0.00 179.01 176.17 1cqg h LYS 48 N 0.00 0.50 -2.18 2.33 3.64 -0.39 -3.33 116.57 117.14 1cqg h LYS 48 Ca 0.00 -0.59 -0.59 0.00 -1.27 0.00 0.00 60.65 58.21 1cqg h LYS 48 Cb 0.99 0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 32.57 1cqg h LYS 48 CO 0.00 1.22 -0.70 0.66 -2.27 0.00 0.00 179.45 178.35 1cqg n TYR 49 N -3.76 3.05 0.17 1.91 4.01 0.47 -4.87 117.16 118.15 1cqg n TYR 49 Ca -0.09 -4.03 0.02 0.00 -0.16 0.00 0.00 57.90 53.65 1cqg n TYR 49 Cb 0.89 -0.51 0.11 0.00 -0.31 0.00 0.00 39.34 39.52 1cqg n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cqg n SER 50 N 0.63 0.01 -0.78 7.72 3.41 -0.97 -0.37 113.62 123.26 1cqg n SER 50 Ca 0.29 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.46 1cqg n SER 50 Cb 0.43 -0.50 0.18 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.51 2.26 -4.20 4.04 5.15 -1.26 -4.83 115.26 114.92 1cqg n ASN 51 Ca 0.01 -2.02 -0.21 0.00 -0.60 0.00 0.00 54.58 51.76 1cqg n ASN 51 Cb 0.06 -0.29 -0.13 0.00 -0.53 0.00 0.00 39.78 38.89 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 -1.47 1.31 -0.24 3.44 1.01 0.50 -4.60 120.40 120.35 1cqg s VAL 52 Ca 0.28 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1cqg s VAL 52 Cb 0.15 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1cqg s VAL 52 CO 0.18 -0.07 0.22 -0.63 0.00 0.00 0.00 175.10 174.80 1cqg s ILE 53 N -1.07 5.31 -0.21 2.22 -1.09 -0.97 -4.90 121.20 120.49 1cqg s ILE 53 Ca 0.02 0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.68 1cqg s ILE 53 Cb -0.09 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1cqg s ILE 53 CO 0.02 0.30 0.01 -0.36 -1.23 0.00 0.00 174.94 173.68 1cqg s PHE 54 N 1.27 3.04 0.01 3.97 0.40 -1.26 -1.29 117.98 124.13 1cqg s PHE 54 Ca 0.10 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1cqg s PHE 54 Cb -0.14 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 1cqg s PHE 54 CO 0.06 -0.27 -0.05 -0.51 0.70 0.00 0.00 175.22 175.15 1cqg s LEU 55 N 1.09 3.25 -0.14 -0.37 1.02 0.74 -2.80 118.68 121.48 1cqg s LEU 55 Ca 0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.03 1cqg s LEU 55 Cb -0.14 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 1cqg s LEU 55 CO 0.02 0.27 -0.10 -0.70 0.02 0.00 0.00 176.35 175.86 1cqg s GLU 56 N -1.52 3.47 -0.04 1.70 2.12 -0.94 -0.89 118.70 122.60 1cqg s GLU 56 Ca 0.18 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.92 1cqg s GLU 56 Cb -0.11 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.55 1cqg s GLU 56 CO 0.09 0.21 -0.17 0.08 -0.54 0.00 0.00 175.26 174.94 1cqg s VAL 57 N 0.38 1.38 -0.27 3.70 1.01 0.16 -2.59 120.40 124.17 1cqg s VAL 57 Ca -0.09 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1cqg s VAL 57 Cb -0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1cqg s VAL 57 CO 0.05 0.40 0.43 -0.62 0.00 0.00 0.00 175.10 175.35 1cqg s ASP 58 N 0.03 6.32 0.48 3.32 -1.08 -1.26 -3.70 116.67 120.77 1cqg s ASP 58 Ca -0.03 0.34 0.32 0.00 -0.52 0.00 0.00 52.55 52.66 1cqg s ASP 58 Cb -0.11 -2.24 1.35 0.00 -1.46 0.00 0.00 42.92 40.46 1cqg s ASP 58 CO 0.02 -0.24 1.94 -0.37 0.52 0.00 0.00 175.17 177.04 1cqg h VAL 59 N 5.41 0.00 0.07 1.11 -1.51 -1.75 1.11 116.25 120.68 1cqg h VAL 59 Ca -0.30 -0.39 -0.35 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.15 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.59 1cqg h VAL 59 CO 0.67 0.00 -2.01 0.47 -1.23 0.00 0.00 177.57 175.48 1cqg n ASP 60 N -2.85 2.04 0.03 4.19 9.92 -1.26 -2.70 116.55 125.92 1cqg n ASP 60 Ca 0.01 0.19 0.11 0.00 -0.53 0.00 0.00 54.79 54.57 1cqg n ASP 60 Cb 0.26 -0.79 0.01 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 -3.68 0.60 -1.89 -2.24 8.00 -1.19 -4.01 116.55 112.14 1cqg n ASP 61 Ca -0.37 -0.15 -0.17 0.00 0.71 0.00 0.00 54.79 54.81 1cqg n ASP 61 Cb 0.96 0.81 0.05 0.00 -0.02 0.00 0.00 41.12 42.92 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 -1.87 4.53 0.31 2.24 0.00 0.38 -4.78 120.51 121.32 1cqg n ALA 62 Ca 0.02 -3.59 0.19 0.00 0.00 0.00 0.00 53.44 50.06 1cqg n ALA 62 Cb 0.45 -0.39 1.06 0.00 0.00 0.00 0.00 19.45 20.57 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 2.03 0.00 -0.44 0.00 3.07 -1.47 -0.95 115.11 117.35 1cqg h GLN 63 Ca 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.93 1cqg h GLN 63 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 1cqg h GLN 63 CO 0.58 0.00 0.01 0.38 0.09 0.00 0.00 178.83 179.89 1cqg h ASP 64 N 0.00 0.76 -0.27 0.06 2.03 -1.87 0.49 116.42 117.62 1cqg h ASP 64 Ca 0.01 -0.30 -0.09 0.00 -0.73 0.00 0.00 57.03 55.92 1cqg h ASP 64 Cb 0.05 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1cqg h ASP 64 CO -0.00 0.87 -0.16 0.58 -1.03 0.00 0.00 179.24 179.50 1cqg h VAL 65 N 0.62 1.30 -0.21 4.15 2.07 -1.53 -2.62 116.25 120.03 1cqg h VAL 65 Ca 0.13 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.21 1cqg h VAL 65 Cb 0.48 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1cqg h VAL 65 CO 0.02 0.40 -0.52 0.00 0.02 0.00 0.00 177.57 177.49 1cqg h ALA 66 N 0.73 0.68 -0.15 1.67 0.00 -1.36 -2.85 119.26 117.98 1cqg h ALA 66 Ca 0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1cqg h ALA 66 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cqg h ALA 66 CO 0.05 0.68 0.02 0.66 0.00 0.00 0.00 179.25 180.65 1cqg h SER 67 N 0.48 0.19 -0.76 0.00 4.64 0.03 -0.72 113.55 117.42 1cqg h SER 67 Ca 0.02 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 1.07 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1cqg h SER 67 CO 0.10 0.22 0.25 -0.08 -0.87 0.00 0.00 176.83 176.45 1cqg h GLU 68 N 0.21 1.16 -0.06 4.77 4.81 -1.22 -2.34 114.58 121.91 1cqg h GLU 68 Ca 0.05 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1cqg h GLU 68 Cb 0.12 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1cqg h GLU 68 CO 0.00 0.98 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 1cqg n ALA 69 N -2.44 2.57 -3.66 2.92 0.00 -0.54 -4.94 120.51 114.43 1cqg n ALA 69 Ca 0.06 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 1cqg n ALA 69 Cb 0.22 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 0.08 -4.78 -1.93 0.00 -0.58 -0.39 -4.84 120.64 108.21 1cqg n GLU 70 Ca 0.18 0.64 -0.42 0.00 -0.42 0.00 0.00 57.16 57.15 1cqg n GLU 70 Cb 0.32 -5.21 -0.03 0.00 -0.57 0.00 0.00 31.44 25.95 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 -3.63 2.69 -0.67 2.62 1.01 -1.07 -4.86 120.40 116.49 1cqg s VAL 71 Ca 0.04 0.45 0.19 0.00 0.00 0.00 0.00 61.98 62.66 1cqg s VAL 71 Cb -0.01 -3.29 -0.24 0.00 0.00 0.00 0.00 36.38 32.85 1cqg s VAL 71 CO 0.80 0.03 0.72 0.29 0.00 0.00 0.00 175.10 176.94 1cqg n LYS 72 N 4.25 0.60 -3.48 2.72 4.76 -1.26 -5.00 118.16 120.75 1cqg n LYS 72 Ca 0.14 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.39 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.98 -1.72 0.12 7.82 0.00 -1.26 -5.18 121.76 118.56 1cqg s ALA 73 Ca 0.03 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1cqg s ALA 73 Cb 0.14 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1cqg s ALA 73 CO 0.81 -0.62 -0.14 0.95 0.00 0.00 0.00 175.76 176.75 1cqg s THR 74 N -2.80 1.33 0.32 0.00 -4.23 -1.26 -4.11 115.64 104.89 1cqg s THR 74 Ca -0.01 -1.72 -0.28 0.00 -1.18 0.00 0.00 61.69 58.51 1cqg s THR 74 Cb -0.01 -1.53 -0.09 0.00 1.34 0.00 0.00 72.50 72.21 1cqg s THR 74 CO -0.06 -0.42 1.07 -2.16 -0.54 0.00 0.00 174.62 172.52 1cqg s PRO 75 N -2.67 4.49 -0.06 3.99 0.04 -1.26 -4.88 135.00 134.65 1cqg s PRO 75 Ca 0.09 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1cqg s PRO 75 Cb -0.05 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1cqg s PRO 75 CO 0.03 0.11 -0.16 0.99 0.04 0.00 0.00 177.00 178.01 1cqg s THR 76 N -1.33 1.39 -0.17 1.26 2.01 -1.26 -2.73 115.64 114.82 1cqg s THR 76 Ca 0.49 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1cqg s THR 76 Cb -0.28 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1cqg s THR 76 CO 0.36 0.41 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.27 1cqg s PHE 77 N 0.36 2.94 -0.00 4.92 0.08 -0.69 -0.79 117.98 124.79 1cqg s PHE 77 Ca -0.11 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.44 1cqg s PHE 77 Cb -0.14 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1cqg s PHE 77 CO 0.04 -0.23 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.03 1cqg s GLN 78 N 0.67 2.04 -0.14 0.44 -0.21 -0.37 -2.08 119.66 120.01 1cqg s GLN 78 Ca -0.04 -0.97 -0.04 0.00 0.02 0.00 0.00 55.36 54.33 1cqg s GLN 78 Cb -0.15 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 1cqg s GLN 78 CO 0.02 0.55 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.67 1cqg s PHE 79 N -0.69 3.08 0.06 0.91 0.40 0.60 -0.14 117.98 122.21 1cqg s PHE 79 Ca 0.11 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1cqg s PHE 79 Cb -0.10 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1cqg s PHE 79 CO 0.00 0.11 -0.20 -0.06 0.70 0.00 0.00 175.22 175.77 1cqg s PHE 80 N 0.08 1.71 -0.11 0.36 0.40 0.56 -1.83 117.98 119.16 1cqg s PHE 80 Ca 0.01 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1cqg s PHE 80 Cb -0.13 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.45 1cqg s PHE 80 CO 0.02 0.11 0.25 0.21 0.70 0.00 0.00 175.22 176.51 1cqg s LYS 81 N -1.35 0.21 -1.27 0.44 2.20 0.13 -1.74 119.74 118.36 1cqg s LYS 81 Ca 0.06 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.19 1cqg s LYS 81 Cb -0.09 -0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.13 1cqg s LYS 81 CO 0.02 -0.17 0.20 1.63 -0.36 0.00 0.00 175.35 176.67 1cqg n LYS 82 N 4.26 -2.81 -1.11 4.03 5.02 -1.14 -0.10 118.16 126.32 1cqg n LYS 82 Ca -0.25 0.66 -0.04 0.00 -2.02 0.00 0.00 58.31 56.67 1cqg n LYS 82 Cb 0.53 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.19 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 -1.02 0.67 3.12 0.72 0.00 -1.26 -5.03 105.19 102.39 1cqg n GLY 83 Ca -0.12 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.28 1.20 -0.06 1.61 -0.21 0.86 -5.11 119.66 115.67 1cqg s GLN 84 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 55.36 54.58 1cqg s GLN 84 Cb 0.00 -1.15 -0.02 0.00 1.00 0.00 0.00 33.01 32.84 1cqg s GLN 84 CO 0.00 0.31 0.94 0.21 -2.12 0.00 0.00 175.29 174.63 1cqg s LYS 85 N -0.32 4.47 0.00 2.91 2.20 -1.26 0.22 119.74 127.95 1cqg s LYS 85 Ca 0.05 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1cqg s LYS 85 Cb -0.06 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1cqg s LYS 85 CO -0.00 -0.15 0.89 1.33 -0.36 0.00 0.00 175.35 177.05 1cqg n VAL 86 N 4.18 0.78 0.00 4.02 0.24 -0.76 -4.95 118.33 121.84 1cqg n VAL 86 Ca 0.06 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1cqg n VAL 86 Cb 0.50 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 1cqg n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cqg n GLY 87 N -0.39 0.92 3.57 7.63 0.00 -1.24 -4.97 105.19 110.70 1cqg n GLY 87 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1cqg n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cqg s GLU 88 N -2.00 0.72 0.11 1.61 2.12 -1.26 -0.29 118.70 119.72 1cqg s GLU 88 Ca 0.00 0.24 -0.25 0.00 0.36 0.00 0.00 54.97 55.32 1cqg s GLU 88 Cb 0.00 0.34 0.07 0.00 0.26 0.00 0.00 34.13 34.81 1cqg s GLU 88 CO 0.00 -0.21 0.78 -0.59 -0.54 0.00 0.00 175.26 174.70 1cqg s PHE 89 N -0.98 -0.36 0.20 5.30 -0.12 -0.89 -5.02 117.98 116.12 1cqg s PHE 89 Ca -0.04 0.13 0.08 0.00 -0.05 0.00 0.00 56.93 57.04 1cqg s PHE 89 Cb -0.01 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 1cqg s PHE 89 CO 0.03 -0.78 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.74 1cqg s SER 90 N -2.71 2.54 0.00 1.98 1.04 -1.26 -1.71 113.70 113.59 1cqg s SER 90 Ca 0.06 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1cqg s SER 90 Cb -0.02 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1cqg s SER 90 CO -0.06 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1cqg n GLY 91 N -0.36 3.80 2.65 7.32 0.00 -1.11 -4.89 105.19 112.60 1cqg n GLY 91 Ca -0.08 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.70 5.58 -3.96 4.61 0.00 -1.26 -4.77 120.51 120.00 1cqg n ALA 92 Ca 0.00 -3.31 -0.31 0.00 0.00 0.00 0.00 53.44 49.82 1cqg n ALA 92 Cb 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 19.45 15.90 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 3.27 4.55 0.28 0.00 3.04 -1.26 -4.96 114.94 119.86 1cqg s ASN 93 Ca 0.54 -2.67 0.05 0.00 0.04 0.00 0.00 52.86 50.83 1cqg s ASN 93 Cb 0.15 -1.65 0.42 0.00 -1.54 0.00 0.00 41.25 38.63 1cqg s ASN 93 CO -0.03 -0.30 1.69 0.07 -3.04 0.00 0.00 177.10 175.49 1cqg h LYS 94 N 6.97 0.31 -0.01 0.43 -0.00 -1.93 -2.73 116.57 119.61 1cqg h LYS 94 Ca -0.06 -0.14 -0.04 0.00 -0.00 0.00 0.00 60.65 60.41 1cqg h LYS 94 Cb 0.95 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.16 1cqg h LYS 94 CO 0.63 0.66 -0.16 0.93 -0.00 0.00 0.00 179.45 181.50 1cqg h GLU 95 N 0.26 0.02 -0.35 0.07 3.07 -2.00 -1.79 114.58 113.86 1cqg h GLU 95 Ca 0.03 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1cqg h GLU 95 Cb 0.81 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1cqg h GLU 95 CO 0.06 0.18 0.19 -0.22 -1.40 0.00 0.00 179.01 177.83 1cqg h LYS 96 N 0.02 0.48 -0.91 2.33 3.64 -1.91 -1.04 116.57 119.18 1cqg h LYS 96 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.30 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1cqg h LYS 96 CO 0.02 0.35 0.60 -0.07 -2.27 0.00 0.00 179.45 178.09 1cqg h LEU 97 N 0.49 1.03 -0.76 5.20 3.38 -1.41 -2.27 115.31 120.97 1cqg h LEU 97 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1cqg h LEU 97 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1cqg h LEU 97 CO -0.02 0.74 0.35 -0.08 0.09 0.00 0.00 178.44 179.51 1cqg h GLU 98 N 1.21 1.11 -0.24 1.13 4.81 -1.26 -2.59 114.58 118.75 1cqg h GLU 98 Ca 0.34 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1cqg h GLU 98 Cb -0.11 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.07 1cqg h GLU 98 CO -0.08 0.88 -0.20 0.00 -0.73 0.00 0.00 179.01 178.88 1cqg h ALA 99 N 1.18 0.35 -0.62 2.92 0.00 -1.31 -2.68 119.26 119.10 1cqg h ALA 99 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 99 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1cqg h ALA 99 CO -0.03 0.29 0.12 1.15 0.00 0.00 0.00 179.25 180.79 1cqg h THR 100 N 0.28 1.25 -0.10 0.00 2.02 -1.41 0.65 112.91 115.60 1cqg h THR 100 Ca 0.04 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1cqg h THR 100 Cb 0.75 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1cqg h THR 100 CO 0.05 0.36 0.06 0.40 0.37 0.00 0.00 175.52 176.76 1cqg h ILE 101 N 0.94 1.07 -0.39 3.11 2.04 -1.46 0.13 117.51 122.95 1cqg h ILE 101 Ca 0.20 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1cqg h ILE 101 Cb 0.38 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1cqg h ILE 101 CO 0.01 0.06 0.20 -1.13 0.00 0.00 0.00 178.15 177.29 1cqg h ASN 102 N 0.09 0.47 -0.44 1.72 -0.73 -1.19 1.07 115.58 116.57 1cqg h ASN 102 Ca 0.04 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 1cqg h ASN 102 Cb 0.05 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1cqg h ASN 102 CO -0.01 0.39 -0.29 -0.08 -0.37 0.00 0.00 177.43 177.08 1cqg h GLU 103 N 0.54 0.97 -0.13 6.67 4.81 0.27 -3.18 114.58 124.53 1cqg h GLU 103 Ca 0.14 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1cqg h GLU 103 Cb 0.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1cqg h GLU 103 CO -0.02 1.12 0.00 1.28 -0.73 0.00 0.00 179.01 180.66 1cqg n LEU 104 N -4.09 3.07 0.00 1.64 4.77 0.34 -5.08 117.00 117.66 1cqg n LEU 104 Ca -0.01 -1.14 0.06 0.00 -0.03 0.00 0.00 56.01 54.89 1cqg n LEU 104 Cb 0.50 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.88 1cqg n LEU 104 CO 0.48 0.56 0.58 0.55 -1.33 0.00 0.00 177.39 178.23