#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 5.27 -0.06 1.12 1.01 -1.26 -4.36 120.40 122.12 1cqg s VAL 2 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1cqg s VAL 2 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1cqg s VAL 2 CO 0.00 -0.08 -0.10 -0.75 0.00 0.00 0.00 175.10 174.17 1cqg s LYS 3 N -3.10 1.51 -0.24 2.72 2.47 -1.15 -5.06 119.74 116.88 1cqg s LYS 3 Ca 0.37 -0.34 -0.14 0.00 -1.56 0.00 0.00 55.97 54.29 1cqg s LYS 3 Cb -0.11 -1.28 -0.04 0.00 -1.46 0.00 0.00 37.83 34.93 1cqg s LYS 3 CO 0.28 -0.00 0.32 -1.14 0.16 0.00 0.00 175.35 174.97 1cqg s GLN 4 N 0.73 4.07 -0.39 4.03 0.74 -1.26 -2.46 119.66 125.13 1cqg s GLN 4 Ca -0.14 -0.01 -0.14 0.00 0.05 0.00 0.00 55.36 55.12 1cqg s GLN 4 Cb -0.15 -3.59 0.01 0.00 1.10 0.00 0.00 33.01 30.37 1cqg s GLN 4 CO 0.03 -0.12 0.27 0.42 -0.55 0.00 0.00 175.29 175.34 1cqg s ILE 5 N 1.57 5.17 -2.79 -2.34 -1.09 -1.11 -4.91 121.20 115.71 1cqg s ILE 5 Ca 0.14 -0.56 0.25 0.00 -2.23 0.00 0.00 60.65 58.25 1cqg s ILE 5 Cb -0.15 -3.82 0.33 0.00 -1.58 0.00 0.00 42.46 37.24 1cqg s ILE 5 CO 0.08 -0.21 1.43 -0.62 -1.23 0.00 0.00 174.94 174.39 1cqg n GLU 6 N 5.12 2.12 -3.63 2.79 4.71 -1.26 -4.46 120.64 126.03 1cqg n GLU 6 Ca -0.12 -1.63 -0.12 0.00 -0.01 0.00 0.00 57.16 55.28 1cqg n GLU 6 Cb 0.48 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.38 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1cqg s SER 7 N -1.95 -0.31 0.35 1.62 1.04 -1.26 -4.49 113.70 108.69 1cqg s SER 7 Ca 0.32 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1cqg s SER 7 Cb 0.20 0.45 0.65 0.00 0.10 0.00 0.00 66.02 67.43 1cqg s SER 7 CO 0.31 -0.73 1.87 0.50 0.98 0.00 0.00 173.24 176.17 1cqg h LYS 8 N 2.78 0.38 -0.46 4.02 3.64 -1.91 -1.47 116.57 123.55 1cqg h LYS 8 Ca -0.32 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1cqg h LYS 8 Cb 1.22 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1cqg h LYS 8 CO 0.44 0.49 0.22 1.15 -2.27 0.00 0.00 179.45 179.48 1cqg h THR 9 N 0.36 0.95 -0.08 1.00 2.02 -1.97 0.13 112.91 115.32 1cqg h THR 9 Ca 0.07 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1cqg h THR 9 Cb 0.41 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1cqg h THR 9 CO 0.02 0.08 -0.45 0.00 0.37 0.00 0.00 175.52 175.54 1cqg h ALA 10 N 1.25 1.10 -0.66 6.16 0.00 -1.86 -2.73 119.26 122.52 1cqg h ALA 10 Ca 0.20 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1cqg h ALA 10 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1cqg h ALA 10 CO -0.15 0.61 0.41 0.35 0.00 0.00 0.00 179.25 180.47 1cqg h PHE 11 N 0.15 0.76 -0.45 0.00 3.57 0.03 0.40 116.94 121.41 1cqg h PHE 11 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 11 Cb 0.86 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1cqg h PHE 11 CO 0.01 0.43 -0.00 1.96 -2.23 0.00 0.00 178.31 178.48 1cqg h GLN 12 N 0.79 0.79 -0.74 1.11 1.08 -1.05 -1.77 115.11 115.32 1cqg h GLN 12 Ca 0.27 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1cqg h GLN 12 Cb 0.03 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1cqg h GLN 12 CO -0.11 0.85 0.26 0.93 -0.95 0.00 0.00 178.83 179.81 1cqg h GLU 13 N 0.63 1.13 -0.44 1.46 4.39 -1.03 -2.08 114.58 118.64 1cqg h GLU 13 Ca 0.13 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1cqg h GLU 13 Cb 0.50 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1cqg h GLU 13 CO 0.02 0.94 -0.23 0.00 -1.16 0.00 0.00 179.01 178.58 1cqg h ALA 14 N 1.18 0.75 -0.93 3.43 0.00 -0.06 -0.26 119.26 123.38 1cqg h ALA 14 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1cqg h ALA 14 Cb 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 14 CO -0.01 0.66 0.54 -0.07 0.00 0.00 0.00 179.25 180.37 1cqg h LEU 15 N 0.78 1.13 -0.63 0.00 3.38 -1.01 -1.29 115.31 117.67 1cqg h LEU 15 Ca 0.10 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1cqg h LEU 15 Cb 0.79 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1cqg h LEU 15 CO 0.07 0.88 -0.35 -0.78 0.09 0.00 0.00 178.44 178.34 1cqg h ASP 16 N 1.28 0.73 -0.14 -0.43 1.82 -1.02 -3.10 116.42 115.57 1cqg h ASP 16 Ca 0.33 -0.31 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1cqg h ASP 16 Cb -0.03 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 1cqg h ASP 16 CO -0.06 1.01 -0.28 0.00 -1.61 0.00 0.00 179.24 178.30 1cqg h ALA 17 N 1.03 0.95 -0.25 -0.78 0.00 -0.37 -2.65 119.26 117.18 1cqg h ALA 17 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1cqg h ALA 17 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cqg h ALA 17 CO 0.08 0.61 0.10 0.00 0.00 0.00 0.00 179.25 180.03 1cqg h ALA 18 N 1.16 1.70 -0.67 0.00 0.00 -1.18 -3.47 119.26 116.81 1cqg h ALA 18 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cqg h ALA 18 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 18 CO 0.06 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1cqg n GLY 19 N -1.31 3.22 0.68 0.00 0.00 -1.00 -1.88 105.19 104.90 1cqg n GLY 19 Ca 0.01 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 7.66 2.06 -4.80 1.61 8.00 -1.26 -2.88 116.55 126.94 1cqg n ASP 20 Ca 0.00 -1.76 -0.35 0.00 0.71 0.00 0.00 54.79 53.39 1cqg n ASP 20 Cb 0.00 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.76 3.98 0.87 -1.24 1.02 -0.79 -4.75 119.74 117.07 1cqg s LYS 21 Ca 0.34 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.59 1cqg s LYS 21 Cb 0.19 -2.25 0.12 0.00 -0.52 0.00 0.00 37.83 35.37 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 -3.17 2.96 -0.13 3.17 0.20 -1.26 -4.58 118.68 115.87 1cqg s LEU 22 Ca 0.63 2.24 -0.04 0.00 0.69 0.00 0.00 54.13 57.65 1cqg s LEU 22 Cb -0.17 -4.57 0.06 0.00 -0.43 0.00 0.00 46.19 41.08 1cqg s LEU 22 CO 0.21 -2.92 0.24 -0.69 -0.29 0.00 0.00 176.35 172.91 1cqg s VAL 23 N -2.48 -0.39 -0.07 1.68 1.01 -0.68 -2.13 120.40 117.34 1cqg s VAL 23 Ca 0.69 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1cqg s VAL 23 Cb -0.25 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1cqg s VAL 23 CO 0.55 0.10 0.01 -0.69 0.00 0.00 0.00 175.10 175.07 1cqg s VAL 24 N 2.40 4.38 -0.14 2.92 1.01 -0.68 -0.61 120.40 129.67 1cqg s VAL 24 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1cqg s VAL 24 Cb -0.12 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1cqg s VAL 24 CO -0.08 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 1cqg s VAL 25 N -0.94 1.68 -0.28 2.92 1.01 0.71 -0.33 120.40 125.17 1cqg s VAL 25 Ca 0.15 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1cqg s VAL 25 Cb -0.11 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1cqg s VAL 25 CO 0.04 0.48 0.19 -0.62 0.00 0.00 0.00 175.10 175.18 1cqg s ASP 26 N 1.26 6.00 -0.26 3.32 2.15 -0.08 -1.15 116.67 127.91 1cqg s ASP 26 Ca 0.01 -0.01 0.09 0.00 0.43 0.00 0.00 52.55 53.07 1cqg s ASP 26 Cb -0.14 -2.11 0.65 0.00 -0.30 0.00 0.00 42.92 41.02 1cqg s ASP 26 CO -0.08 -0.04 1.63 0.49 -0.17 0.00 0.00 175.17 177.00 1cqg n PHE 27 N 5.02 2.04 -1.69 -5.34 3.72 -0.22 0.58 117.46 121.56 1cqg n PHE 27 Ca -0.14 -0.95 -0.39 0.00 -0.05 0.00 0.00 57.45 55.92 1cqg n PHE 27 Cb 0.52 -0.58 0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.06 2.05 -4.68 4.37 7.64 -1.23 -4.29 113.62 117.54 1cqg n SER 28 Ca 0.32 0.96 -0.41 0.00 1.01 0.00 0.00 58.87 60.75 1cqg n SER 28 Cb 1.20 -1.50 -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 -1.33 3.48 0.29 -0.43 0.00 -1.26 -4.13 121.76 118.38 1cqg s ALA 29 Ca 0.70 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1cqg s ALA 29 Cb -0.45 -3.20 0.44 0.00 0.00 0.00 0.00 23.12 19.92 1cqg s ALA 29 CO 0.51 -0.56 1.72 0.00 0.00 0.00 0.00 175.76 177.43 1cqg h THR 30 N 5.12 1.28 0.00 0.00 1.03 -1.91 -2.40 112.91 116.02 1cqg h THR 30 Ca -0.31 -1.35 -0.04 0.00 -0.01 0.00 0.00 66.41 64.69 1cqg h THR 30 Cb 1.14 1.49 -0.01 0.00 -1.07 0.00 0.00 68.15 69.71 1cqg h THR 30 CO 0.82 0.42 -0.21 4.11 -0.01 0.00 0.00 175.52 180.65 1cqg h TRP 31 N 0.32 0.00 -3.23 0.00 5.08 -2.02 -3.42 115.95 112.68 1cqg h TRP 31 Ca 0.04 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.42 1cqg h TRP 31 Cb 0.72 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.80 1cqg h TRP 31 CO 0.02 0.21 0.58 0.00 -1.28 0.00 0.00 178.44 177.96 1cqg h GLY 33 N 9.30 -0.28 0.26 0.00 0.00 -1.84 -0.83 103.07 109.69 1cqg h GLY 33 Ca -0.22 0.10 0.19 0.00 0.00 0.00 0.00 47.33 47.40 1cqg h GLY 33 CO 0.91 -0.10 0.61 -2.55 0.00 0.00 0.00 176.54 175.40 1cqg h PRO 34 N -0.35 0.59 0.02 4.80 0.11 -1.93 0.37 132.00 135.61 1cqg h PRO 34 Ca -0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1cqg h PRO 34 Cb 0.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1cqg h PRO 34 CO 0.05 0.39 -0.01 0.00 -0.21 0.00 0.00 178.00 178.22 1cqg h ALA 35 N 1.62 -0.03 -0.55 -0.75 0.00 -1.77 -3.22 119.26 114.56 1cqg h ALA 35 Ca 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cqg h ALA 35 Cb 0.98 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1cqg h ALA 35 CO -0.26 -0.08 0.36 -0.22 0.00 0.00 0.00 179.25 179.05 1cqg h LYS 36 N -0.89 0.72 -0.05 0.00 3.64 -0.79 -0.97 116.57 118.23 1cqg h LYS 36 Ca -0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 36 Cb 0.76 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1cqg h LYS 36 CO 0.00 0.48 0.04 1.98 -2.27 0.00 0.00 179.45 179.69 1cqg h MET 37 N 0.74 0.00 -0.01 1.90 4.05 -0.33 -0.39 114.93 120.90 1cqg h MET 37 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 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 -0.04 0.00 -0.03 -0.89 0.23 0.00 0.00 176.91 176.17 1cqg n ILE 38 N -4.19 0.00 0.15 1.77 5.41 -0.37 -4.23 119.36 117.90 1cqg n ILE 38 Ca -0.02 -0.18 0.03 0.00 1.00 0.00 0.00 62.75 63.58 1cqg n ILE 38 Cb 0.14 0.27 0.40 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 1.69 0.16 -0.97 0.38 2.10 -1.05 -3.18 116.57 115.70 1cqg h LYS 39 Ca 0.00 -0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.70 1cqg h LYS 39 Cb 0.40 -0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.64 1cqg h LYS 39 CO 0.00 0.35 0.62 -1.35 -2.00 0.00 0.00 179.45 177.07 1cqg h PRO 40 N 0.15 1.03 -0.14 0.07 0.11 -1.78 0.51 132.00 131.94 1cqg h PRO 40 Ca 0.03 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1cqg h PRO 40 Cb 0.43 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1cqg h PRO 40 CO 0.03 0.68 -0.05 0.74 -0.21 0.00 0.00 178.00 179.18 1cqg h PHE 41 N 1.06 0.32 0.30 0.65 -1.00 -1.88 0.89 116.94 117.29 1cqg h PHE 41 Ca 0.44 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 61.13 1cqg h PHE 41 Cb 0.30 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1cqg h PHE 41 CO -0.00 0.60 -0.15 0.35 -1.61 0.00 0.00 178.31 177.50 1cqg h PHE 42 N -0.04 -0.38 -0.45 -0.55 3.57 -1.50 -1.31 116.94 116.29 1cqg h PHE 42 Ca 0.03 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1cqg h PHE 42 Cb 0.50 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1cqg h PHE 42 CO 0.06 -0.23 -0.25 1.25 -2.23 0.00 0.00 178.31 176.91 1cqg h HIS 43 N -0.41 1.12 -0.84 0.41 2.76 0.01 -3.15 115.15 115.04 1cqg h HIS 43 Ca -0.04 -0.29 -0.04 0.00 -2.20 0.00 0.00 60.37 57.80 1cqg h HIS 43 Cb 0.32 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1cqg h HIS 43 CO -0.05 1.11 0.39 0.77 -1.30 0.00 0.00 177.93 178.84 1cqg h SER 44 N 0.81 1.12 0.30 3.26 0.02 0.92 -2.23 113.55 117.75 1cqg h SER 44 Ca 0.10 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1cqg h SER 44 Cb 0.84 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1cqg h SER 44 CO 0.07 0.95 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.63 1cqg h LEU 45 N 1.21 0.00 -1.02 5.07 3.38 -1.19 -2.63 115.31 120.12 1cqg h LEU 45 Ca 0.29 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.43 1cqg h LEU 45 Cb 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 1cqg h LEU 45 CO -0.03 0.01 0.62 0.28 0.09 0.00 0.00 178.44 179.41 1cqg h SER 46 N 0.00 0.81 1.54 -0.43 0.02 -1.42 0.60 113.55 114.67 1cqg h SER 46 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1cqg h SER 46 Cb 0.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1cqg h SER 46 CO 0.00 0.33 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.44 1cqg h GLU 47 N 0.81 0.00 0.03 3.45 4.39 -1.65 -2.78 114.58 118.83 1cqg h GLU 47 Ca 0.56 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 60.02 1cqg h GLU 47 Cb 0.81 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1cqg h GLU 47 CO -0.35 0.00 -1.02 -0.22 -1.16 0.00 0.00 179.01 176.26 1cqg h LYS 48 N 0.00 0.40 -2.17 2.33 3.64 0.04 -3.33 116.57 117.48 1cqg h LYS 48 Ca 0.00 -0.48 -0.59 0.00 -1.27 0.00 0.00 60.65 58.31 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 1.15 -0.69 0.66 -2.27 0.00 0.00 179.45 178.30 1cqg n TYR 49 N -3.71 3.08 0.17 1.91 4.01 0.18 -4.87 117.16 117.93 1cqg n TYR 49 Ca -0.08 -4.04 0.03 0.00 -0.16 0.00 0.00 57.90 53.65 1cqg n TYR 49 Cb 0.88 -0.52 0.14 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.71 0.05 -0.64 7.72 3.41 -1.05 -0.34 113.62 123.49 1cqg n SER 50 Ca 0.29 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.49 1cqg n SER 50 Cb 0.43 -0.53 0.23 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.88 -4.23 4.04 5.15 -1.26 -4.81 115.26 114.46 1cqg n ASN 51 Ca 0.01 -1.91 -0.23 0.00 -0.60 0.00 0.00 54.58 51.85 1cqg n ASN 51 Cb 0.06 -0.20 -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 -1.59 1.50 -0.25 3.44 1.01 0.54 -4.53 120.40 120.51 1cqg s VAL 52 Ca 0.27 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1cqg s VAL 52 Cb 0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1cqg s VAL 52 CO 0.20 0.03 0.16 -0.63 0.00 0.00 0.00 175.10 174.86 1cqg s ILE 53 N -0.98 5.30 -0.22 2.22 -1.09 -0.91 -4.83 121.20 120.69 1cqg s ILE 53 Ca 0.05 0.16 -0.07 0.00 -2.23 0.00 0.00 60.65 58.56 1cqg s ILE 53 Cb -0.09 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1cqg s ILE 53 CO 0.02 0.32 0.05 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.27 3.11 -0.07 3.97 0.40 -1.26 -1.69 117.98 123.72 1cqg s PHE 54 Ca 0.07 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1cqg s PHE 54 Cb -0.14 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1cqg s PHE 54 CO 0.06 -0.19 -0.06 -0.51 0.70 0.00 0.00 175.22 175.23 1cqg s LEU 55 N 1.12 3.22 -0.14 -0.37 1.02 0.55 -2.96 118.68 121.12 1cqg s LEU 55 Ca 0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.16 1cqg s LEU 55 Cb -0.14 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 1cqg s LEU 55 CO 0.03 0.36 -0.05 -0.70 0.02 0.00 0.00 176.35 176.01 1cqg s GLU 56 N -0.84 3.50 -0.04 1.70 2.12 -1.03 -0.90 118.70 123.21 1cqg s GLU 56 Ca 0.13 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 54.95 1cqg s GLU 56 Cb -0.11 -2.83 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 1cqg s GLU 56 CO 0.02 0.30 -0.15 0.08 -0.54 0.00 0.00 175.26 174.97 1cqg s VAL 57 N 0.18 1.24 -0.28 3.70 1.01 0.20 -2.73 120.40 123.72 1cqg s VAL 57 Ca -0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1cqg s VAL 57 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1cqg s VAL 57 CO 0.03 0.36 0.30 -0.62 0.00 0.00 0.00 175.10 175.18 1cqg s ASP 58 N 0.10 6.16 0.49 3.32 -1.08 -1.26 -3.58 116.67 120.82 1cqg s ASP 58 Ca -0.04 0.14 0.32 0.00 -0.52 0.00 0.00 52.55 52.45 1cqg s ASP 58 Cb -0.11 -2.17 1.41 0.00 -1.46 0.00 0.00 42.92 40.58 1cqg s ASP 58 CO 0.02 -0.14 1.95 -0.37 0.52 0.00 0.00 175.17 177.15 1cqg h VAL 59 N 5.39 0.00 0.09 1.11 -1.51 -1.75 1.00 116.25 120.59 1cqg h VAL 59 Ca -0.33 -0.35 -0.36 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.17 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.57 1cqg h VAL 59 CO 0.61 0.00 -2.06 0.47 -1.23 0.00 0.00 177.57 175.36 1cqg n ASP 60 N -2.84 2.08 0.01 4.19 9.92 -1.26 -2.51 116.55 126.14 1cqg n ASP 60 Ca 0.00 0.16 0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1cqg n ASP 60 Cb 0.24 -0.78 -0.03 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 -3.51 0.63 -1.95 -2.24 8.00 -1.18 -4.07 116.55 112.24 1cqg n ASP 61 Ca -0.35 -0.41 -0.12 0.00 0.71 0.00 0.00 54.79 54.62 1cqg n ASP 61 Cb 1.01 0.98 0.06 0.00 -0.02 0.00 0.00 41.12 43.15 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 -1.77 4.11 0.31 2.24 0.00 0.35 -4.77 120.51 120.97 1cqg n ALA 62 Ca 0.02 -3.40 0.18 0.00 0.00 0.00 0.00 53.44 50.24 1cqg n ALA 62 Cb 0.42 -0.47 1.00 0.00 0.00 0.00 0.00 19.45 20.40 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 2.02 0.00 -0.41 0.00 3.07 -1.44 0.58 115.11 118.93 1cqg h GLN 63 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.81 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 0.47 0.00 -0.12 0.38 0.09 0.00 0.00 178.83 179.66 1cqg h ASP 64 N 0.00 0.71 -0.09 0.06 3.04 -1.87 0.47 116.42 118.74 1cqg h ASP 64 Ca 0.01 -0.21 -0.06 0.00 -3.24 0.00 0.00 57.03 53.53 1cqg h ASP 64 Cb 0.04 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.14 1cqg h ASP 64 CO -0.00 0.85 -0.17 0.58 -2.04 0.00 0.00 179.24 178.47 1cqg h VAL 65 N 0.66 1.39 -0.16 4.15 2.07 -1.22 -2.99 116.25 120.15 1cqg h VAL 65 Ca 0.11 -1.44 -0.19 0.00 0.82 0.00 0.00 66.70 66.01 1cqg h VAL 65 Cb 0.58 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1cqg h VAL 65 CO 0.04 0.41 -0.66 0.00 0.02 0.00 0.00 177.57 177.37 1cqg h ALA 66 N 0.52 0.55 -0.75 1.67 0.00 -1.35 -3.09 119.26 116.80 1cqg h ALA 66 Ca 0.01 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1cqg h ALA 66 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 66 CO 0.04 0.71 0.49 0.66 0.00 0.00 0.00 179.25 181.15 1cqg h SER 67 N 0.43 0.86 -0.05 0.00 4.64 -0.11 -0.52 113.55 118.81 1cqg h SER 67 Ca -0.02 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1cqg h SER 67 Cb 1.24 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1cqg h SER 67 CO 0.13 0.63 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.44 1cqg h GLU 68 N 1.01 0.43 -0.02 4.77 4.57 -1.47 -2.06 114.58 121.81 1cqg h GLU 68 Ca 0.27 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1cqg h GLU 68 Cb -0.11 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1cqg h GLU 68 CO -0.06 0.61 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 1cqg n ALA 69 N -2.48 2.61 -3.73 2.92 0.00 -0.34 -4.93 120.51 114.56 1cqg n ALA 69 Ca -0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1cqg n ALA 69 Cb 0.36 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.28 -4.66 -2.14 0.00 4.71 -0.43 -4.87 120.64 112.96 1cqg n GLU 70 Ca 0.20 0.59 -0.41 0.00 -0.01 0.00 0.00 57.16 57.53 1cqg n GLU 70 Cb 0.25 -5.08 -0.03 0.00 -1.01 0.00 0.00 31.44 25.57 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 -3.71 3.01 -0.53 2.62 1.01 -1.12 -4.89 120.40 116.78 1cqg s VAL 71 Ca 0.00 0.83 0.16 0.00 0.00 0.00 0.00 61.98 62.97 1cqg s VAL 71 Cb -0.00 -3.53 -0.19 0.00 0.00 0.00 0.00 36.38 32.66 1cqg s VAL 71 CO 0.82 0.12 0.57 0.29 0.00 0.00 0.00 175.10 176.91 1cqg n LYS 72 N 2.59 1.43 -3.48 2.72 4.76 -1.26 -5.00 118.16 119.91 1cqg n LYS 72 Ca 0.07 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1cqg n LYS 72 Cb 0.42 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.67 -1.74 0.12 7.82 0.00 -1.26 -5.18 121.76 118.85 1cqg s ALA 73 Ca 0.02 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1cqg s ALA 73 Cb 0.11 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1cqg s ALA 73 CO 0.65 -0.66 -0.13 0.95 0.00 0.00 0.00 175.76 176.57 1cqg s THR 74 N -3.00 1.28 0.28 0.00 -4.23 -1.26 -4.07 115.64 104.63 1cqg s THR 74 Ca 0.01 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 1cqg s THR 74 Cb -0.01 -1.55 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 1cqg s THR 74 CO -0.08 -0.47 1.08 -2.16 -0.54 0.00 0.00 174.62 172.45 1cqg s PRO 75 N -2.79 4.66 -0.08 3.99 0.04 -1.26 -4.90 135.00 134.66 1cqg s PRO 75 Ca 0.09 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1cqg s PRO 75 Cb -0.04 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1cqg s PRO 75 CO 0.03 0.25 -0.17 0.99 0.04 0.00 0.00 177.00 178.13 1cqg s THR 76 N -1.18 1.49 -0.14 1.26 2.01 -1.26 -2.82 115.64 115.00 1cqg s THR 76 Ca 0.44 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1cqg s THR 76 Cb -0.31 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1cqg s THR 76 CO 0.39 0.43 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.36 1cqg s PHE 77 N 0.51 3.02 0.01 4.92 0.08 -0.64 -1.06 117.98 124.82 1cqg s PHE 77 Ca -0.16 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.71 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 0.06 0.01 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.32 1cqg s GLN 78 N 0.21 1.69 -0.12 0.44 -0.21 -0.30 -2.08 119.66 119.29 1cqg s GLN 78 Ca -0.02 -0.88 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1cqg s GLN 78 Cb -0.14 -1.71 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 1cqg s GLN 78 CO 0.03 0.46 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.57 1cqg s PHE 79 N -0.63 3.08 0.02 0.91 0.40 -0.34 -0.21 117.98 121.20 1cqg s PHE 79 Ca 0.09 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 1cqg s PHE 79 Cb -0.09 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1cqg s PHE 79 CO 0.00 0.22 -0.14 -0.06 0.70 0.00 0.00 175.22 175.94 1cqg s PHE 80 N -0.27 1.22 -0.11 0.36 0.40 0.22 -1.87 117.98 117.93 1cqg s PHE 80 Ca 0.05 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1cqg s PHE 80 Cb -0.12 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.70 1cqg s PHE 80 CO 0.02 0.01 0.27 0.21 0.70 0.00 0.00 175.22 176.43 1cqg s LYS 81 N -0.83 0.24 -1.85 0.44 2.20 0.12 -1.69 119.74 118.37 1cqg s LYS 81 Ca 0.03 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1cqg s LYS 81 Cb -0.07 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1cqg s LYS 81 CO 0.01 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.48 1cqg n LYS 82 N 4.11 -1.63 -1.29 4.03 5.02 -1.14 -0.38 118.16 126.88 1cqg n LYS 82 Ca -0.24 1.04 -0.03 0.00 -2.02 0.00 0.00 58.31 57.06 1cqg n LYS 82 Cb 0.54 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.95 1cqg n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cqg n GLY 83 N -0.75 0.53 3.11 0.72 0.00 -1.26 -5.03 105.19 102.51 1cqg n GLY 83 Ca -0.22 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.66 1.05 -0.10 1.61 -0.21 0.49 -5.10 119.66 114.75 1cqg s GLN 84 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1cqg s GLN 84 Cb 0.00 -1.03 -0.01 0.00 1.00 0.00 0.00 33.01 32.96 1cqg s GLN 84 CO 0.00 0.28 1.03 0.21 -2.12 0.00 0.00 175.29 174.69 1cqg s LYS 85 N -0.53 4.41 -0.01 2.91 2.20 -1.26 0.14 119.74 127.60 1cqg s LYS 85 Ca 0.04 1.43 0.02 0.00 -0.36 0.00 0.00 55.97 57.10 1cqg s LYS 85 Cb -0.06 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1cqg s LYS 85 CO -0.00 -0.33 0.93 1.33 -0.36 0.00 0.00 175.35 176.92 1cqg n VAL 86 N 4.55 0.91 0.00 4.02 0.24 -0.78 -4.95 118.33 122.32 1cqg n VAL 86 Ca 0.09 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.45 1cqg n VAL 86 Cb 0.48 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.50 0.75 3.58 7.63 0.00 -1.24 -4.96 105.19 110.44 1cqg n GLY 87 Ca 0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 0.66 -0.09 1.61 2.56 -1.26 -1.20 118.70 118.98 1cqg s GLU 88 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 54.97 54.90 1cqg s GLU 88 Cb 0.00 0.31 0.12 0.00 2.00 0.00 0.00 34.13 36.56 1cqg s GLU 88 CO 0.00 -0.19 0.98 -0.59 -0.56 0.00 0.00 175.26 174.90 1cqg s PHE 89 N -0.94 -0.31 0.26 5.30 -0.12 -0.88 -5.03 117.98 116.26 1cqg s PHE 89 Ca -0.03 0.31 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 1cqg s PHE 89 Cb -0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 1cqg s PHE 89 CO 0.02 -0.42 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.16 1cqg s SER 90 N -2.00 2.62 0.00 1.98 1.04 -1.26 -1.62 113.70 114.46 1cqg s SER 90 Ca 0.04 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1cqg s SER 90 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1cqg s SER 90 CO -0.05 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1cqg n GLY 91 N -0.51 3.49 2.63 7.32 0.00 -1.13 -4.88 105.19 112.11 1cqg n GLY 91 Ca -0.06 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.23 5.79 -3.96 4.61 0.00 -1.26 -4.79 120.51 120.67 1cqg n ALA 92 Ca 0.00 -3.47 -0.31 0.00 0.00 0.00 0.00 53.44 49.65 1cqg n ALA 92 Cb 0.00 -3.44 -0.14 0.00 0.00 0.00 0.00 19.45 15.87 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 3.15 4.68 0.30 0.00 3.04 -1.26 -4.96 114.94 119.89 1cqg s ASN 93 Ca 0.55 -2.48 0.07 0.00 0.04 0.00 0.00 52.86 51.03 1cqg s ASN 93 Cb 0.15 -1.66 0.49 0.00 -1.54 0.00 0.00 41.25 38.69 1cqg s ASN 93 CO -0.05 -0.34 1.72 0.07 -3.04 0.00 0.00 177.10 175.47 1cqg h LYS 94 N 7.23 0.23 -0.00 0.43 -0.00 -1.95 -2.80 116.57 119.70 1cqg h LYS 94 Ca -0.06 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.65 60.43 1cqg h LYS 94 Cb 0.97 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.19 1cqg h LYS 94 CO 0.60 0.59 -0.27 0.93 -0.00 0.00 0.00 179.45 181.31 1cqg h GLU 95 N 0.20 0.01 -0.41 0.07 4.39 -2.00 -2.25 114.58 114.59 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 0.77 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1cqg h GLU 95 CO 0.06 0.27 0.25 -0.22 -1.16 0.00 0.00 179.01 178.21 1cqg h LYS 96 N 0.01 0.55 -0.95 2.33 3.64 -1.92 -0.78 116.57 119.45 1cqg h LYS 96 Ca -0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 96 Cb 0.47 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1cqg h LYS 96 CO 0.03 0.39 0.63 -0.07 -2.27 0.00 0.00 179.45 178.16 1cqg h LEU 97 N 0.56 1.08 -0.58 5.20 3.38 -1.49 -2.32 115.31 121.14 1cqg h LEU 97 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1cqg h LEU 97 Cb -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1cqg h LEU 97 CO -0.03 0.78 0.36 -0.08 0.09 0.00 0.00 178.44 179.56 1cqg h GLU 98 N 1.28 0.78 -0.24 1.13 4.22 -1.21 -1.70 114.58 118.84 1cqg h GLU 98 Ca 0.35 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.63 1cqg h GLU 98 Cb -0.14 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1cqg h GLU 98 CO -0.08 0.55 -0.22 0.00 -2.18 0.00 0.00 179.01 177.08 1cqg h ALA 99 N 1.18 0.35 -0.75 2.92 0.00 -1.33 -2.16 119.26 119.47 1cqg h ALA 99 Ca 0.21 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1cqg h ALA 99 CO -0.04 0.30 0.23 1.15 0.00 0.00 0.00 179.25 180.90 1cqg h THR 100 N 0.28 1.26 -0.05 0.00 2.02 -1.34 0.22 112.91 115.30 1cqg h THR 100 Ca 0.04 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1cqg h THR 100 Cb 0.77 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1cqg h THR 100 CO 0.06 0.36 0.02 0.40 0.37 0.00 0.00 175.52 176.73 1cqg h ILE 101 N 1.12 1.08 -0.52 3.11 2.04 -1.29 0.13 117.51 123.17 1cqg h ILE 101 Ca 0.24 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1cqg h ILE 101 Cb 0.31 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1cqg h ILE 101 CO -0.01 0.07 0.34 -1.13 0.00 0.00 0.00 178.15 177.42 1cqg h ASN 102 N -0.02 0.61 -0.50 1.72 -0.73 -1.08 1.00 115.58 116.58 1cqg h ASN 102 Ca 0.02 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1cqg h ASN 102 Cb 0.09 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1cqg h ASN 102 CO -0.00 0.45 -0.19 -0.08 -0.37 0.00 0.00 177.43 177.23 1cqg h GLU 103 N 0.71 1.01 -0.02 6.67 4.57 0.42 -3.17 114.58 124.77 1cqg h GLU 103 Ca 0.19 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1cqg h GLU 103 Cb -0.07 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1cqg h GLU 103 CO -0.04 1.10 -0.32 1.28 -1.18 0.00 0.00 179.01 179.85 1cqg n LEU 104 N -4.12 2.17 0.00 1.64 4.77 0.35 -5.08 117.00 116.73 1cqg n LEU 104 Ca 0.00 -0.77 0.03 0.00 -0.03 0.00 0.00 56.01 55.24 1cqg n LEU 104 Cb 0.45 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 1cqg n LEU 104 CO 0.47 0.39 0.39 0.55 -1.33 0.00 0.00 177.39 177.86