#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 5.33 -0.09 2.03 1.01 -1.26 -4.04 120.40 123.37 1cqg s VAL 2 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1cqg s VAL 2 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1cqg s VAL 2 CO 0.00 0.34 -0.09 -0.75 0.00 0.00 0.00 175.10 174.59 1cqg s LYS 3 N -1.85 1.55 -0.24 2.72 2.47 -1.09 -5.05 119.74 118.25 1cqg s LYS 3 Ca 0.28 -0.31 -0.14 0.00 -1.56 0.00 0.00 55.97 54.24 1cqg s LYS 3 Cb -0.13 -1.44 -0.04 0.00 -1.46 0.00 0.00 37.83 34.75 1cqg s LYS 3 CO 0.17 -0.12 0.32 -1.14 0.16 0.00 0.00 175.35 174.74 1cqg s GLN 4 N 1.17 4.07 -0.38 4.03 0.74 -1.26 -1.96 119.66 126.06 1cqg s GLN 4 Ca -0.05 -0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.22 1cqg s GLN 4 Cb -0.14 -3.60 0.01 0.00 1.10 0.00 0.00 33.01 30.38 1cqg s GLN 4 CO -0.02 -0.13 0.26 0.42 -0.55 0.00 0.00 175.29 175.27 1cqg s ILE 5 N 1.61 5.13 -2.70 -2.34 -1.09 -0.97 -4.92 121.20 115.92 1cqg s ILE 5 Ca 0.14 -0.54 0.26 0.00 -2.23 0.00 0.00 60.65 58.27 1cqg s ILE 5 Cb -0.15 -3.78 0.33 0.00 -1.58 0.00 0.00 42.46 37.28 1cqg s ILE 5 CO 0.08 -0.19 1.46 -0.62 -1.23 0.00 0.00 174.94 174.44 1cqg n GLU 6 N 5.11 1.95 -3.59 2.79 4.71 -1.26 -4.45 120.64 125.90 1cqg n GLU 6 Ca -0.12 -1.44 -0.13 0.00 -0.01 0.00 0.00 57.16 55.46 1cqg n GLU 6 Cb 0.48 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.39 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 -2.04 -0.38 0.44 1.62 1.04 -1.26 -4.43 113.70 108.68 1cqg s SER 7 Ca 0.31 0.03 0.11 0.00 0.48 0.00 0.00 55.95 56.88 1cqg s SER 7 Cb 0.20 0.49 0.97 0.00 0.10 0.00 0.00 66.02 67.78 1cqg s SER 7 CO 0.34 -0.76 2.03 0.50 0.98 0.00 0.00 173.24 176.33 1cqg h LYS 8 N 2.66 0.21 -0.08 4.02 3.64 -1.91 -1.15 116.57 123.96 1cqg h LYS 8 Ca -0.32 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1cqg h LYS 8 CO 0.42 0.24 -0.01 1.15 -2.27 0.00 0.00 179.45 178.98 1cqg h THR 9 N 0.21 0.93 0.00 1.00 2.02 -1.97 -0.79 112.91 114.31 1cqg h THR 9 Ca 0.05 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1cqg h THR 9 Cb 0.15 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1cqg h THR 9 CO 0.00 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.51 1cqg h ALA 10 N 1.08 1.27 -0.56 6.16 0.00 -1.82 -2.83 119.26 122.56 1cqg h ALA 10 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cqg h ALA 10 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cqg h ALA 10 CO -0.08 0.48 0.36 0.35 0.00 0.00 0.00 179.25 180.36 1cqg h PHE 11 N 0.00 0.69 -0.41 0.00 3.57 0.04 0.31 116.94 121.14 1cqg h PHE 11 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1cqg h PHE 11 Cb 0.71 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1cqg h PHE 11 CO 0.00 0.43 0.08 1.96 -2.23 0.00 0.00 178.31 178.54 1cqg h GLN 12 N 0.74 0.68 -0.72 1.11 1.08 -1.05 -1.93 115.11 115.02 1cqg h GLN 12 Ca 0.21 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1cqg h GLN 12 Cb -0.07 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1cqg h GLN 12 CO -0.05 0.71 0.23 0.93 -0.95 0.00 0.00 178.83 179.70 1cqg h GLU 13 N 0.54 1.12 -0.55 1.46 3.07 -1.22 -2.30 114.58 116.69 1cqg h GLU 13 Ca 0.13 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 1cqg h GLU 13 Cb 0.36 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1cqg h GLU 13 CO 0.01 0.95 0.12 0.00 -1.40 0.00 0.00 179.01 178.68 1cqg h ALA 14 N 1.17 0.73 -0.89 3.43 0.00 -0.18 -0.03 119.26 123.50 1cqg h ALA 14 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cqg h ALA 14 Cb 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 14 CO -0.01 0.44 0.57 -0.07 0.00 0.00 0.00 179.25 180.19 1cqg h LEU 15 N 0.79 1.03 -0.61 0.00 3.38 -1.06 -1.45 115.31 117.39 1cqg h LEU 15 Ca 0.17 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1cqg h LEU 15 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1cqg h LEU 15 CO 0.00 0.76 -0.45 -0.78 0.09 0.00 0.00 178.44 178.07 1cqg h ASP 16 N 1.21 0.62 -0.15 -0.43 1.82 -1.02 -3.17 116.42 115.30 1cqg h ASP 16 Ca 0.32 -0.29 -0.12 0.00 -0.39 0.00 0.00 57.03 56.55 1cqg h ASP 16 Cb -0.12 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.71 1cqg h ASP 16 CO -0.07 0.98 -0.32 0.00 -1.61 0.00 0.00 179.24 178.22 1cqg h ALA 17 N 1.04 0.88 -0.13 -0.78 0.00 -0.32 -2.87 119.26 117.08 1cqg h ALA 17 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1cqg h ALA 17 Cb 0.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cqg h ALA 17 CO 0.09 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1cqg h ALA 18 N 1.10 1.76 -0.60 0.00 0.00 -1.26 -3.47 119.26 116.79 1cqg h ALA 18 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cqg h ALA 18 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cqg h ALA 18 CO 0.07 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1cqg n GLY 19 N -1.28 2.96 0.58 0.00 0.00 -1.09 -2.21 105.19 104.15 1cqg n GLY 19 Ca -0.01 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1cqg n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cqg n ASP 20 N 7.50 1.80 -4.80 1.61 8.00 -1.26 -2.99 116.55 126.41 1cqg n ASP 20 Ca 0.00 -1.61 -0.34 0.00 0.71 0.00 0.00 54.79 53.55 1cqg n ASP 20 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.98 3.78 0.93 -1.24 1.02 -0.94 -4.73 119.74 116.58 1cqg s LYS 21 Ca 0.36 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.61 1cqg s LYS 21 Cb 0.21 -2.09 0.11 0.00 -0.52 0.00 0.00 37.83 35.54 1cqg s LYS 21 CO 0.32 -0.45 0.90 1.28 -0.92 0.00 0.00 175.35 176.48 1cqg n LEU 22 N -0.99 2.13 -3.45 3.17 4.77 -1.26 -4.61 117.00 116.76 1cqg n LEU 22 Ca 0.09 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 1cqg n LEU 22 Cb 0.52 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 1cqg n LEU 22 CO 0.40 -2.66 -0.17 -0.69 -1.33 0.00 0.00 177.39 172.93 1cqg s VAL 23 N -2.55 -0.39 -0.14 4.08 1.01 -0.83 -2.27 120.40 119.32 1cqg s VAL 23 Ca 0.64 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 1cqg s VAL 23 Cb -0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1cqg s VAL 23 CO 0.61 -0.25 0.09 -0.69 0.00 0.00 0.00 175.10 174.86 1cqg s VAL 24 N 2.37 5.05 -0.16 2.92 1.01 -0.95 -0.38 120.40 130.26 1cqg s VAL 24 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1cqg s VAL 24 Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1cqg s VAL 24 CO -0.17 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 174.62 1cqg s VAL 25 N -0.48 2.36 -0.28 2.92 1.01 0.64 -0.21 120.40 126.36 1cqg s VAL 25 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1cqg s VAL 25 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1cqg s VAL 25 CO 0.02 0.52 0.24 -0.62 0.00 0.00 0.00 175.10 175.26 1cqg s ASP 26 N 1.03 6.08 -0.31 3.32 2.15 -0.25 -1.47 116.67 127.23 1cqg s ASP 26 Ca -0.01 0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.09 1cqg s ASP 26 Cb -0.15 -2.14 0.67 0.00 -0.30 0.00 0.00 42.92 41.00 1cqg s ASP 26 CO -0.05 -0.09 1.72 0.49 -0.17 0.00 0.00 175.17 177.07 1cqg n PHE 27 N 5.13 2.31 -1.74 -5.34 3.72 -0.16 0.66 117.46 122.04 1cqg n PHE 27 Ca -0.13 -1.17 -0.38 0.00 -0.05 0.00 0.00 57.45 55.73 1cqg n PHE 27 Cb 0.52 -0.67 0.06 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.19 2.37 -4.67 4.37 7.64 -1.23 -4.35 113.62 117.55 1cqg n SER 28 Ca 0.39 0.90 -0.41 0.00 1.01 0.00 0.00 58.87 60.76 1cqg n SER 28 Cb 1.33 -1.57 -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 -1.34 3.49 0.29 -0.43 0.00 -1.26 -4.09 121.76 118.42 1cqg s ALA 29 Ca 0.78 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1cqg s ALA 29 Cb -0.40 -3.15 0.43 0.00 0.00 0.00 0.00 23.12 20.00 1cqg s ALA 29 CO 0.44 -0.56 1.71 0.00 0.00 0.00 0.00 175.76 177.36 1cqg h THR 30 N 5.13 1.28 0.00 0.00 1.03 -1.92 -2.28 112.91 116.16 1cqg h THR 30 Ca -0.31 -1.38 -0.02 0.00 -0.01 0.00 0.00 66.41 64.69 1cqg h THR 30 Cb 1.14 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1cqg h THR 30 CO 0.81 0.43 -0.08 4.11 -0.01 0.00 0.00 175.52 180.78 1cqg h TRP 31 N 0.32 0.00 -3.59 0.00 5.08 -2.02 -3.41 115.95 112.32 1cqg h TRP 31 Ca 0.04 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.41 1cqg h TRP 31 Cb 0.74 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.80 1cqg h TRP 31 CO 0.02 0.08 0.59 0.00 -1.28 0.00 0.00 178.44 177.85 1cqg h GLY 33 N 10.35 -0.26 0.18 0.00 0.00 -1.83 -0.78 103.07 110.73 1cqg h GLY 33 Ca -0.24 0.13 0.22 0.00 0.00 0.00 0.00 47.33 47.44 1cqg h GLY 33 CO 1.01 -0.12 0.62 -2.55 0.00 0.00 0.00 176.54 175.50 1cqg h PRO 34 N -0.27 0.39 0.01 4.80 0.11 -1.94 0.17 132.00 135.28 1cqg h PRO 34 Ca -0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1cqg h PRO 34 Cb 0.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1cqg h PRO 34 CO -0.01 0.26 -0.16 0.00 -0.21 0.00 0.00 178.00 177.88 1cqg h ALA 35 N 1.61 0.01 -0.22 -0.75 0.00 -1.73 -3.25 119.26 114.92 1cqg h ALA 35 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cqg h ALA 35 Cb 1.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1cqg h ALA 35 CO -0.20 0.03 0.14 -0.22 0.00 0.00 0.00 179.25 179.00 1cqg h LYS 36 N -0.69 0.29 -0.01 0.00 3.64 -0.34 -0.35 116.57 119.09 1cqg h LYS 36 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 36 Cb 0.99 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1cqg h LYS 36 CO 0.03 0.19 0.01 1.98 -2.27 0.00 0.00 179.45 179.39 1cqg h MET 37 N 0.29 0.00 -0.00 1.90 4.05 -0.74 -0.61 114.93 119.83 1cqg h MET 37 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1cqg h MET 37 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1cqg h MET 37 CO -0.02 0.00 -0.08 -0.89 0.23 0.00 0.00 176.91 176.15 1cqg n ILE 38 N -4.21 0.00 0.18 1.77 5.41 -0.14 -4.19 119.36 118.18 1cqg n ILE 38 Ca -0.03 -0.01 0.07 0.00 1.00 0.00 0.00 62.75 63.78 1cqg n ILE 38 Cb 0.10 -0.32 0.58 0.00 -0.71 0.00 0.00 39.64 39.29 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 0.12 0.15 -0.89 0.38 2.10 -1.14 -3.00 116.57 114.29 1cqg h LYS 39 Ca 0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 1cqg h LYS 39 Cb 0.41 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 1cqg h LYS 39 CO 0.00 0.10 0.58 -1.35 -2.00 0.00 0.00 179.45 176.78 1cqg h PRO 40 N 0.15 1.07 0.06 0.07 0.11 -1.79 0.56 132.00 132.23 1cqg h PRO 40 Ca 0.05 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1cqg h PRO 40 Cb -0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1cqg h PRO 40 CO -0.01 0.71 -0.03 0.74 -0.21 0.00 0.00 178.00 179.20 1cqg h PHE 41 N 1.10 -0.07 0.06 0.65 -1.00 -1.85 0.91 116.94 116.75 1cqg h PHE 41 Ca 0.36 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.13 1cqg h PHE 41 Cb 0.04 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1cqg h PHE 41 CO -0.00 0.37 -0.04 0.35 -1.61 0.00 0.00 178.31 177.38 1cqg h PHE 42 N -0.54 -0.11 -0.31 -0.55 3.57 -1.53 -0.24 116.94 117.23 1cqg h PHE 42 Ca -0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1cqg h PHE 42 Cb 0.47 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1cqg h PHE 42 CO 0.08 -0.07 -0.08 1.25 -2.23 0.00 0.00 178.31 177.26 1cqg h HIS 43 N -0.11 0.67 -0.60 0.41 2.76 0.11 -3.11 115.15 115.28 1cqg h HIS 43 Ca -0.00 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 57.99 1cqg h HIS 43 Cb 0.10 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1cqg h HIS 43 CO -0.09 0.78 0.25 0.77 -1.30 0.00 0.00 177.93 178.35 1cqg h SER 44 N 0.37 0.80 0.13 3.26 0.02 0.10 -2.16 113.55 116.06 1cqg h SER 44 Ca 0.08 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1cqg h SER 44 Cb 0.57 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1cqg h SER 44 CO 0.03 0.71 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.32 1cqg h LEU 45 N 0.86 0.00 -1.17 5.07 3.38 -0.97 -2.22 115.31 120.27 1cqg h LEU 45 Ca 0.21 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.37 1cqg h LEU 45 Cb 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1cqg h LEU 45 CO -0.02 0.05 0.61 0.28 0.09 0.00 0.00 178.44 179.45 1cqg h SER 46 N 0.00 0.67 1.20 -0.43 0.02 -1.39 0.65 113.55 114.27 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 0.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cqg h SER 46 CO 0.01 0.25 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.12 1cqg h GLU 47 N 0.66 0.00 0.08 3.45 3.07 -1.57 -2.80 114.58 117.47 1cqg h GLU 47 Ca 0.54 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.13 1cqg h GLU 47 Cb 0.97 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1cqg h GLU 47 CO -0.31 0.00 -1.14 -0.22 -1.40 0.00 0.00 179.01 175.94 1cqg h LYS 48 N 0.00 0.47 -2.20 2.33 3.64 0.18 -3.34 116.57 117.66 1cqg h LYS 48 Ca 0.00 -0.62 -0.59 0.00 -1.27 0.00 0.00 60.65 58.17 1cqg h LYS 48 Cb 0.85 0.20 -0.42 0.00 -0.41 0.00 0.00 32.23 32.46 1cqg h LYS 48 CO 0.00 1.25 -0.65 0.66 -2.27 0.00 0.00 179.45 178.44 1cqg n TYR 49 N -3.71 3.41 0.17 1.91 4.01 0.70 -4.86 117.16 118.79 1cqg n TYR 49 Ca -0.10 -4.07 0.03 0.00 -0.16 0.00 0.00 57.90 53.59 1cqg n TYR 49 Cb 0.94 -0.52 0.12 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.59 0.01 -0.73 7.72 3.41 -1.06 -0.25 113.62 123.32 1cqg n SER 50 Ca 0.30 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.48 1cqg n SER 50 Cb 0.42 -0.51 0.22 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 -1.52 2.13 -4.21 4.04 5.15 -1.26 -4.69 115.26 114.91 1cqg n ASN 51 Ca 0.01 -1.95 -0.23 0.00 -0.60 0.00 0.00 54.58 51.82 1cqg n ASN 51 Cb 0.06 -0.24 -0.14 0.00 -0.53 0.00 0.00 39.78 38.93 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 -1.51 1.42 -0.27 3.44 1.01 0.66 -4.57 120.40 120.57 1cqg s VAL 52 Ca 0.29 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1cqg s VAL 52 Cb 0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1cqg s VAL 52 CO 0.20 0.09 0.18 -0.63 0.00 0.00 0.00 175.10 174.95 1cqg s ILE 53 N -0.86 5.27 -0.20 2.22 -1.09 -0.96 -4.69 121.20 120.89 1cqg s ILE 53 Ca 0.05 0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.54 1cqg s ILE 53 Cb -0.08 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1cqg s ILE 53 CO 0.02 0.27 0.09 -0.36 -1.23 0.00 0.00 174.94 173.72 1cqg s PHE 54 N 1.67 3.26 -0.05 3.97 0.40 -1.26 -2.24 117.98 123.73 1cqg s PHE 54 Ca 0.07 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1cqg s PHE 54 Cb -0.16 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 1cqg s PHE 54 CO 0.10 0.09 -0.06 -0.51 0.70 0.00 0.00 175.22 175.54 1cqg s LEU 55 N 0.65 3.23 -0.13 -0.37 1.02 0.71 -2.65 118.68 121.14 1cqg s LEU 55 Ca 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 1cqg s LEU 55 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1cqg s LEU 55 CO 0.01 0.34 -0.06 -0.70 0.02 0.00 0.00 176.35 175.96 1cqg s GLU 56 N -1.02 3.37 -0.05 1.70 2.12 -0.83 -1.08 118.70 122.90 1cqg s GLU 56 Ca 0.14 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.95 1cqg s GLU 56 Cb -0.11 -2.78 0.01 0.00 0.26 0.00 0.00 34.13 31.51 1cqg s GLU 56 CO 0.04 0.36 -0.11 0.08 -0.54 0.00 0.00 175.26 175.09 1cqg s VAL 57 N 0.01 0.98 -0.27 3.70 1.01 0.21 -2.29 120.40 123.75 1cqg s VAL 57 Ca -0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1cqg s VAL 57 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1cqg s VAL 57 CO 0.03 0.31 0.39 -0.62 0.00 0.00 0.00 175.10 175.22 1cqg s ASP 58 N 0.52 6.28 0.57 3.32 -1.08 -1.26 -3.56 116.67 121.47 1cqg s ASP 58 Ca -0.10 0.32 0.36 0.00 -0.52 0.00 0.00 52.55 52.61 1cqg s ASP 58 Cb -0.13 -2.22 1.58 0.00 -1.46 0.00 0.00 42.92 40.69 1cqg s ASP 58 CO 0.02 -0.20 2.06 -0.37 0.52 0.00 0.00 175.17 177.21 1cqg h VAL 59 N 5.39 0.01 0.09 1.11 -1.51 -1.76 1.10 116.25 120.69 1cqg h VAL 59 Ca -0.31 -0.42 -0.36 0.00 -1.23 0.00 0.00 66.70 64.39 1cqg h VAL 59 Cb 1.16 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.70 1cqg h VAL 59 CO 0.65 0.00 -1.99 0.47 -1.23 0.00 0.00 177.57 175.48 1cqg n ASP 60 N -3.10 2.08 0.02 4.19 9.92 -1.26 -2.57 116.55 125.83 1cqg n ASP 60 Ca -0.00 0.19 0.11 0.00 -0.53 0.00 0.00 54.79 54.56 1cqg n ASP 60 Cb 0.26 -0.82 -0.03 0.00 -0.64 0.00 0.00 41.12 39.89 1cqg n ASP 60 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cqg n ASP 61 N -3.58 0.58 -2.03 -2.24 8.00 -1.18 -4.09 116.55 112.01 1cqg n ASP 61 Ca -0.34 -0.30 -0.16 0.00 0.71 0.00 0.00 54.79 54.69 1cqg n ASP 61 Cb 1.00 1.01 0.04 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 -1.85 4.41 0.28 2.24 0.00 0.38 -4.77 120.51 121.20 1cqg n ALA 62 Ca 0.01 -3.53 0.13 0.00 0.00 0.00 0.00 53.44 50.05 1cqg n ALA 62 Cb 0.44 -0.43 0.84 0.00 0.00 0.00 0.00 19.45 20.30 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 2.13 0.00 -0.47 0.00 3.07 -1.43 -0.78 115.11 117.63 1cqg h GLN 63 Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.92 1cqg h GLN 63 Cb 1.45 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 0.07 0.38 0.09 0.00 0.00 178.83 179.94 1cqg h ASP 64 N 0.00 0.69 -0.12 0.06 3.04 -1.87 0.41 116.42 118.63 1cqg h ASP 64 Ca 0.01 -0.13 -0.15 0.00 -3.24 0.00 0.00 57.03 53.51 1cqg h ASP 64 Cb 0.03 -0.18 0.01 0.00 -1.04 0.00 0.00 39.33 38.14 1cqg h ASP 64 CO -0.00 0.72 -0.52 0.58 -2.04 0.00 0.00 179.24 177.97 1cqg h VAL 65 N 0.70 1.35 -0.15 4.15 2.07 -1.48 -2.93 116.25 119.97 1cqg h VAL 65 Ca 0.15 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.65 1cqg h VAL 65 Cb 0.34 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1cqg h VAL 65 CO 0.01 0.55 -0.71 0.00 0.02 0.00 0.00 177.57 177.44 1cqg h ALA 66 N 0.49 0.47 -0.37 1.67 0.00 -1.29 -3.01 119.26 117.22 1cqg h ALA 66 Ca -0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1cqg h ALA 66 Cb 1.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1cqg h ALA 66 CO 0.11 0.71 0.19 0.66 0.00 0.00 0.00 179.25 180.92 1cqg h SER 67 N 0.46 0.45 -0.97 0.00 4.64 -0.25 -0.60 113.55 117.28 1cqg h SER 67 Ca -0.03 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 1.30 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1cqg h SER 67 CO 0.14 0.38 0.60 -0.08 -0.87 0.00 0.00 176.83 176.99 1cqg h GLU 68 N 0.51 1.30 -0.18 4.77 4.81 -1.38 -1.60 114.58 122.82 1cqg h GLU 68 Ca 0.13 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1cqg h GLU 68 Cb 0.04 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1cqg h GLU 68 CO -0.02 0.90 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1cqg n ALA 69 N -2.39 2.51 -3.77 2.92 0.00 -0.37 -4.94 120.51 114.47 1cqg n ALA 69 Ca 0.11 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1cqg n ALA 69 Cb 0.04 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 0.39 -4.39 -2.05 0.00 4.71 -0.39 -4.85 120.64 114.06 1cqg n GLU 70 Ca 0.16 0.56 -0.42 0.00 -0.01 0.00 0.00 57.16 57.45 1cqg n GLU 70 Cb 0.34 -4.98 -0.03 0.00 -1.01 0.00 0.00 31.44 25.77 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 -3.75 2.86 -0.82 2.62 1.01 -1.12 -4.88 120.40 116.31 1cqg s VAL 71 Ca 0.01 0.66 0.17 0.00 0.00 0.00 0.00 61.98 62.81 1cqg s VAL 71 Cb -0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 36.38 32.78 1cqg s VAL 71 CO 0.83 0.07 0.73 0.29 0.00 0.00 0.00 175.10 177.03 1cqg n LYS 72 N 3.28 1.37 -3.49 2.72 4.76 -1.26 -5.00 118.16 120.55 1cqg n LYS 72 Ca 0.10 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1cqg n LYS 72 Cb 0.40 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.60 -1.73 0.15 7.82 0.00 -1.26 -5.17 121.76 118.96 1cqg s ALA 73 Ca 0.07 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1cqg s ALA 73 Cb 0.13 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1cqg s ALA 73 CO 0.69 -0.58 -0.18 0.95 0.00 0.00 0.00 175.76 176.65 1cqg s THR 74 N -2.54 1.69 0.25 0.00 -4.23 -1.26 -4.04 115.64 105.51 1cqg s THR 74 Ca -0.02 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.37 1cqg s THR 74 Cb -0.01 -1.73 -0.09 0.00 1.34 0.00 0.00 72.50 72.01 1cqg s THR 74 CO -0.04 -0.30 0.97 -2.16 -0.54 0.00 0.00 174.62 172.56 1cqg s PRO 75 N -2.63 4.81 -0.06 3.99 0.04 -1.26 -4.87 135.00 135.01 1cqg s PRO 75 Ca 0.13 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1cqg s PRO 75 Cb -0.06 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1cqg s PRO 75 CO 0.05 0.46 -0.19 0.99 0.04 0.00 0.00 177.00 178.35 1cqg s THR 76 N -1.18 1.61 -0.13 1.26 2.01 -1.26 -2.71 115.64 115.24 1cqg s THR 76 Ca 0.42 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1cqg s THR 76 Cb -0.27 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1cqg s THR 76 CO 0.34 0.46 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.30 1cqg s PHE 77 N 0.21 2.95 -0.01 4.92 0.08 -0.34 -0.99 117.98 124.80 1cqg s PHE 77 Ca -0.10 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.68 1cqg s PHE 77 Cb -0.14 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1cqg s PHE 77 CO 0.04 -0.03 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.25 1cqg s GLN 78 N 0.18 1.91 -0.15 0.44 -0.21 -0.54 -1.74 119.66 119.56 1cqg s GLN 78 Ca -0.04 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 54.43 1cqg s GLN 78 Cb -0.14 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1cqg s GLN 78 CO 0.03 0.51 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.64 1cqg s PHE 79 N -0.58 3.08 0.09 0.91 0.40 0.21 -0.26 117.98 121.83 1cqg s PHE 79 Ca 0.09 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 1cqg s PHE 79 Cb -0.09 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1cqg s PHE 79 CO -0.01 0.06 -0.20 -0.06 0.70 0.00 0.00 175.22 175.71 1cqg s PHE 80 N 0.21 1.73 -0.12 0.36 0.08 0.49 -0.79 117.98 119.94 1cqg s PHE 80 Ca -0.01 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.57 1cqg s PHE 80 Cb -0.13 -0.97 0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1cqg s PHE 80 CO 0.02 0.17 0.27 0.21 -0.10 0.00 0.00 175.22 175.79 1cqg s LYS 81 N -1.74 0.22 -1.45 0.44 2.20 0.23 -1.96 119.74 117.67 1cqg s LYS 81 Ca 0.06 0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1cqg s LYS 81 Cb -0.10 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1cqg s LYS 81 CO 0.04 -0.19 0.35 1.63 -0.36 0.00 0.00 175.35 176.82 1cqg n LYS 82 N 4.49 -3.45 -1.69 4.03 5.02 -1.16 0.01 118.16 125.41 1cqg n LYS 82 Ca -0.21 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 56.77 1cqg n LYS 82 Cb 0.52 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.22 0.56 3.07 0.72 0.00 -1.26 -5.02 105.19 102.05 1cqg n GLY 83 Ca -0.13 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.55 1.33 0.07 1.61 -1.52 0.10 -5.11 119.66 112.60 1cqg s GLN 84 Ca 0.00 -0.45 -0.31 0.00 -1.95 0.00 0.00 55.36 52.65 1cqg s GLN 84 Cb 0.00 -1.20 -0.06 0.00 -0.22 0.00 0.00 33.01 31.53 1cqg s GLN 84 CO 0.00 0.19 1.22 0.21 -0.25 0.00 0.00 175.29 176.65 1cqg s LYS 85 N 0.08 4.42 -0.00 2.91 2.20 -1.26 0.76 119.74 128.85 1cqg s LYS 85 Ca -0.03 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1cqg s LYS 85 Cb -0.10 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1cqg s LYS 85 CO 0.01 -0.27 0.93 1.33 -0.36 0.00 0.00 175.35 176.99 1cqg n VAL 86 N 3.93 0.86 0.00 4.02 0.24 0.03 -4.91 118.33 122.51 1cqg n VAL 86 Ca 0.09 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1cqg n VAL 86 Cb 0.46 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.44 2.49 3.52 7.63 0.00 -1.23 -4.94 105.19 112.22 1cqg n GLY 87 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 0.86 -0.04 1.61 2.12 -1.26 -0.61 118.70 119.37 1cqg s GLU 88 Ca 0.00 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1cqg s GLU 88 Cb 0.00 0.40 0.11 0.00 0.26 0.00 0.00 34.13 34.89 1cqg s GLU 88 CO 0.00 -0.32 0.89 -0.59 -0.54 0.00 0.00 175.26 174.70 1cqg s PHE 89 N -2.14 -0.38 0.23 5.30 -0.12 -0.71 -5.01 117.98 115.15 1cqg s PHE 89 Ca -0.01 0.37 0.08 0.00 -0.05 0.00 0.00 56.93 57.32 1cqg s PHE 89 Cb -0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1cqg s PHE 89 CO -0.02 -0.51 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.97 1cqg s SER 90 N -2.08 2.74 0.00 1.98 1.04 -1.26 -1.20 113.70 114.91 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 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1cqg s SER 90 CO -0.05 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1cqg n GLY 91 N -0.45 3.82 2.48 7.32 0.00 -1.10 -4.88 105.19 112.38 1cqg n GLY 91 Ca -0.07 -1.47 -0.40 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 -0.73 6.76 -3.90 4.61 0.00 -1.26 -4.80 120.51 121.20 1cqg n ALA 92 Ca 0.00 -3.68 -0.33 0.00 0.00 0.00 0.00 53.44 49.43 1cqg n ALA 92 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 19.45 15.88 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 2.55 4.95 0.23 0.00 3.04 -1.26 -4.96 114.94 119.49 1cqg s ASN 93 Ca 0.61 -2.24 0.01 0.00 0.04 0.00 0.00 52.86 51.27 1cqg s ASN 93 Cb 0.16 -1.72 0.23 0.00 -1.54 0.00 0.00 41.25 38.38 1cqg s ASN 93 CO -0.07 -0.43 1.58 0.07 -3.04 0.00 0.00 177.10 175.21 1cqg h LYS 94 N 7.63 0.44 0.00 0.43 -0.00 -1.96 -2.93 116.57 120.18 1cqg h LYS 94 Ca -0.08 -0.25 -0.03 0.00 -0.00 0.00 0.00 60.65 60.30 1cqg h LYS 94 Cb 1.01 0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1cqg h LYS 94 CO 0.62 0.83 -0.12 0.93 -0.00 0.00 0.00 179.45 181.71 1cqg h GLU 95 N 0.35 0.00 -0.73 0.07 4.39 -2.00 -1.92 114.58 114.74 1cqg h GLU 95 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1cqg h GLU 95 Cb 0.99 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 1cqg h GLU 95 CO 0.09 0.12 0.43 -0.22 -1.16 0.00 0.00 179.01 178.26 1cqg h LYS 96 N 0.00 0.99 -0.99 2.33 3.64 -1.94 -1.04 116.57 119.55 1cqg h LYS 96 Ca -0.00 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.22 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1cqg h LYS 96 CO 0.02 0.70 0.65 -0.07 -2.27 0.00 0.00 179.45 178.48 1cqg h LEU 97 N 1.00 1.10 -0.59 5.20 3.38 -1.45 -1.27 115.31 122.68 1cqg h LEU 97 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1cqg h LEU 97 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1cqg h LEU 97 CO -0.05 0.76 0.38 -0.08 0.09 0.00 0.00 178.44 179.54 1cqg h GLU 98 N 1.28 0.79 -0.12 1.13 4.81 -1.22 -0.70 114.58 120.55 1cqg h GLU 98 Ca 0.39 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1cqg h GLU 98 Cb -0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1cqg h GLU 98 CO -0.11 0.54 -0.41 0.00 -0.73 0.00 0.00 179.01 178.30 1cqg h ALA 99 N 1.20 0.22 -0.80 2.92 0.00 -1.17 -2.56 119.26 119.06 1cqg h ALA 99 Ca 0.21 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1cqg h ALA 99 Cb -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1cqg h ALA 99 CO -0.04 0.33 0.32 1.15 0.00 0.00 0.00 179.25 181.01 1cqg h THR 100 N 0.10 1.26 0.01 0.00 2.02 -1.13 0.20 112.91 115.36 1cqg h THR 100 Ca -0.02 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1cqg h THR 100 Cb 1.04 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1cqg h THR 100 CO 0.09 0.34 -0.00 0.40 0.37 0.00 0.00 175.52 176.71 1cqg h ILE 101 N 1.17 1.07 -0.41 3.11 2.04 -1.15 0.22 117.51 123.55 1cqg h ILE 101 Ca 0.27 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1cqg h ILE 101 Cb 0.21 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1cqg h ILE 101 CO -0.02 0.06 0.23 -1.13 0.00 0.00 0.00 178.15 177.29 1cqg h ASN 102 N -0.12 0.50 -0.52 1.72 -0.73 -1.19 0.80 115.58 116.04 1cqg h ASN 102 Ca -0.00 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.02 1cqg h ASN 102 Cb 0.11 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 1cqg h ASN 102 CO 0.00 0.41 -0.15 -0.08 -0.37 0.00 0.00 177.43 177.23 1cqg h GLU 103 N 0.57 1.02 -0.02 6.67 4.22 0.25 -3.19 114.58 124.10 1cqg h GLU 103 Ca 0.15 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1cqg h GLU 103 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cqg h GLU 103 CO -0.02 1.09 -0.29 1.28 -2.18 0.00 0.00 179.01 178.88 1cqg n LEU 104 N -4.13 2.26 0.00 1.64 4.77 -0.02 -5.08 117.00 116.45 1cqg n LEU 104 Ca 0.01 -0.84 0.04 0.00 -0.03 0.00 0.00 56.01 55.19 1cqg n LEU 104 Cb 0.43 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.78 1cqg n LEU 104 CO 0.46 0.41 0.48 0.55 -1.33 0.00 0.00 177.39 177.96