#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 5.40 -0.06 2.03 1.01 -1.26 -3.19 120.40 124.32 1cqg s VAL 2 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1cqg s VAL 2 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 2 CO 0.00 0.46 -0.10 -0.75 0.00 0.00 0.00 175.10 174.71 1cqg s LYS 3 N 0.16 1.50 -0.24 2.72 2.47 -1.06 -5.05 119.74 120.24 1cqg s LYS 3 Ca 0.11 -0.33 -0.12 0.00 -1.56 0.00 0.00 55.97 54.06 1cqg s LYS 3 Cb -0.12 -1.29 -0.05 0.00 -1.46 0.00 0.00 37.83 34.91 1cqg s LYS 3 CO 0.00 -0.02 0.25 -1.14 0.16 0.00 0.00 175.35 174.61 1cqg s GLN 4 N 0.79 4.07 -0.36 4.03 0.74 -1.26 -1.91 119.66 125.76 1cqg s GLN 4 Ca -0.12 -0.12 -0.13 0.00 0.05 0.00 0.00 55.36 55.04 1cqg s GLN 4 Cb -0.15 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.39 1cqg s GLN 4 CO 0.02 -0.04 0.24 0.42 -0.55 0.00 0.00 175.29 175.38 1cqg s ILE 5 N 1.36 5.03 -2.57 -2.34 -1.09 -0.95 -4.92 121.20 115.72 1cqg s ILE 5 Ca 0.11 -0.51 0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1cqg s ILE 5 Cb -0.14 -3.69 0.28 0.00 -1.58 0.00 0.00 42.46 37.33 1cqg s ILE 5 CO 0.07 -0.13 1.42 -0.62 -1.23 0.00 0.00 174.94 174.44 1cqg n GLU 6 N 5.08 1.80 -3.64 2.79 4.71 -1.26 -4.43 120.64 125.68 1cqg n GLU 6 Ca -0.12 -1.34 -0.13 0.00 -0.01 0.00 0.00 57.16 55.56 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 -2.13 -0.32 0.42 1.62 1.04 -1.26 -4.44 113.70 108.63 1cqg s SER 7 Ca 0.29 0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.88 1cqg s SER 7 Cb 0.20 0.44 0.92 0.00 0.10 0.00 0.00 66.02 67.68 1cqg s SER 7 CO 0.38 -0.68 1.98 0.50 0.98 0.00 0.00 173.24 176.39 1cqg h LYS 8 N 2.95 0.14 -0.37 4.02 3.64 -1.91 -1.26 116.57 123.77 1cqg h LYS 8 Ca -0.31 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1cqg h LYS 8 Cb 1.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1cqg h LYS 8 CO 0.43 0.26 0.21 1.15 -2.27 0.00 0.00 179.45 179.24 1cqg h THR 9 N 0.13 1.04 -0.00 1.00 2.02 -2.00 -0.72 112.91 114.38 1cqg h THR 9 Ca 0.03 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1cqg h THR 9 Cb 0.29 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1cqg h THR 9 CO 0.02 0.08 -0.54 0.00 0.37 0.00 0.00 175.52 175.45 1cqg h ALA 10 N 1.17 1.11 -0.63 6.16 0.00 -1.82 -2.97 119.26 122.27 1cqg h ALA 10 Ca 0.15 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1cqg h ALA 10 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1cqg h ALA 10 CO -0.07 0.67 0.41 0.35 0.00 0.00 0.00 179.25 180.61 1cqg h PHE 11 N 0.00 0.77 -0.62 0.00 3.57 -0.01 0.25 116.94 120.89 1cqg h PHE 11 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1cqg h PHE 11 Cb 0.95 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1cqg h PHE 11 CO 0.00 0.47 0.22 1.96 -2.23 0.00 0.00 178.31 178.73 1cqg h GLN 12 N 0.82 0.95 -0.69 1.11 1.08 -1.11 -1.68 115.11 115.59 1cqg h GLN 12 Ca 0.24 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1cqg h GLN 12 Cb -0.05 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 1cqg h GLN 12 CO -0.07 0.83 0.13 0.93 -0.95 0.00 0.00 178.83 179.70 1cqg h GLU 13 N 0.88 1.12 -0.59 1.46 5.08 -1.21 -2.15 114.58 119.17 1cqg h GLU 13 Ca 0.20 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1cqg h GLU 13 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1cqg h GLU 13 CO -0.01 1.01 0.09 0.00 -1.00 0.00 0.00 179.01 179.10 1cqg h ALA 14 N 1.08 0.79 -0.92 3.43 0.00 -0.24 0.13 119.26 123.53 1cqg h ALA 14 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1cqg h ALA 14 Cb 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1cqg h ALA 14 CO 0.01 0.55 0.53 -0.07 0.00 0.00 0.00 179.25 180.26 1cqg h LEU 15 N 0.89 1.12 -0.69 0.00 3.38 -1.08 -0.89 115.31 118.04 1cqg h LEU 15 Ca 0.18 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1cqg h LEU 15 Cb 0.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1cqg h LEU 15 CO 0.01 0.88 -0.48 -0.78 0.09 0.00 0.00 178.44 178.16 1cqg h ASP 16 N 1.27 0.46 -0.42 -0.43 1.82 -0.92 -3.09 116.42 115.11 1cqg h ASP 16 Ca 0.33 -0.22 -0.12 0.00 -0.39 0.00 0.00 57.03 56.62 1cqg h ASP 16 Cb -0.02 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 1cqg h ASP 16 CO -0.06 0.87 -0.22 0.00 -1.61 0.00 0.00 179.24 178.22 1cqg h ALA 17 N 1.15 0.60 -0.02 -0.78 0.00 0.11 -2.77 119.26 117.54 1cqg h ALA 17 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1cqg h ALA 17 Cb 0.97 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1cqg h ALA 17 CO 0.08 0.58 -0.08 0.00 0.00 0.00 0.00 179.25 179.83 1cqg h ALA 18 N 0.83 1.83 -0.61 0.00 0.00 -1.16 -3.47 119.26 116.68 1cqg h ALA 18 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cqg h ALA 18 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1cqg h ALA 18 CO 0.06 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1cqg n GLY 19 N -1.26 2.99 0.59 0.00 0.00 -1.05 -1.87 105.19 104.59 1cqg n GLY 19 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 7.53 1.82 -4.80 1.61 8.00 -1.26 -3.43 116.55 126.02 1cqg n ASP 20 Ca 0.00 -1.62 -0.34 0.00 0.71 0.00 0.00 54.79 53.54 1cqg n ASP 20 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.97 3.88 0.95 -1.24 1.02 -0.78 -4.73 119.74 116.86 1cqg s LYS 21 Ca 0.36 1.33 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 1cqg s LYS 21 Cb 0.21 -2.12 0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1cqg s LYS 21 CO 0.32 -0.36 0.72 1.28 -0.92 0.00 0.00 175.35 176.39 1cqg n LEU 22 N -0.89 1.17 -3.41 3.17 4.77 -1.26 -4.67 117.00 115.88 1cqg n LEU 22 Ca 0.09 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1cqg n LEU 22 Cb 0.53 -1.32 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 1cqg n LEU 22 CO 0.39 -2.99 -0.12 -0.69 -1.33 0.00 0.00 177.39 172.65 1cqg s VAL 23 N -2.49 -0.48 -0.10 4.08 1.01 -1.03 -2.52 120.40 118.87 1cqg s VAL 23 Ca 0.61 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1cqg s VAL 23 Cb -0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1cqg s VAL 23 CO 0.63 -0.20 0.13 -0.69 0.00 0.00 0.00 175.10 174.97 1cqg s VAL 24 N 2.44 5.34 -0.12 2.92 1.01 -0.73 -0.76 120.40 130.50 1cqg s VAL 24 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1cqg s VAL 24 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1cqg s VAL 24 CO -0.17 0.58 -0.16 -0.69 0.00 0.00 0.00 175.10 174.66 1cqg s VAL 25 N -1.05 1.56 -0.31 2.92 1.01 0.32 0.03 120.40 124.88 1cqg s VAL 25 Ca 0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1cqg s VAL 25 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1cqg s VAL 25 CO 0.06 0.45 0.20 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 26 N 1.05 5.91 -0.18 3.32 2.15 -0.02 -1.30 116.67 127.61 1cqg s ASP 26 Ca -0.05 -0.31 0.07 0.00 0.43 0.00 0.00 52.55 52.69 1cqg s ASP 26 Cb -0.15 -2.10 0.47 0.00 -0.30 0.00 0.00 42.92 40.85 1cqg s ASP 26 CO -0.03 -0.17 1.33 0.49 -0.17 0.00 0.00 175.17 176.62 1cqg n PHE 27 N 5.06 1.41 -1.64 -5.34 3.72 -0.07 0.20 117.46 120.80 1cqg n PHE 27 Ca -0.13 -0.66 -0.41 0.00 -0.05 0.00 0.00 57.45 56.20 1cqg n PHE 27 Cb 0.50 -0.43 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.16 1.60 -4.70 4.37 7.64 -1.24 -4.29 113.62 117.17 1cqg n SER 28 Ca 0.22 1.02 -0.42 0.00 1.01 0.00 0.00 58.87 60.69 1cqg n SER 28 Cb 0.92 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.29 3.29 0.33 -0.43 0.00 -1.26 -4.15 121.76 118.25 1cqg s ALA 29 Ca 0.65 0.41 0.09 0.00 0.00 0.00 0.00 51.96 53.11 1cqg s ALA 29 Cb -0.52 -3.33 0.59 0.00 0.00 0.00 0.00 23.12 19.87 1cqg s ALA 29 CO 0.55 -0.38 1.77 0.00 0.00 0.00 0.00 175.76 177.71 1cqg h THR 30 N 4.93 1.28 0.00 0.00 1.03 -1.91 -2.31 112.91 115.93 1cqg h THR 30 Ca -0.37 -1.36 0.00 0.00 -0.01 0.00 0.00 66.41 64.67 1cqg h THR 30 Cb 1.19 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1cqg h THR 30 CO 0.79 0.40 0.00 -2.67 -0.01 0.00 0.00 175.52 174.03 1cqg n TRP 31 N -4.07 0.67 -2.98 0.00 4.27 -1.26 -4.64 117.44 109.42 1cqg n TRP 31 Ca -0.02 0.22 -0.42 0.00 -3.89 0.00 0.00 57.50 53.39 1cqg n TRP 31 Cb 0.43 -0.85 -0.05 0.00 -1.36 0.00 0.00 31.31 29.48 1cqg n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1cqg h GLY 33 N 9.69 -0.26 0.06 0.00 0.00 -1.85 -0.23 103.07 110.48 1cqg h GLY 33 Ca -0.25 0.10 0.22 0.00 0.00 0.00 0.00 47.33 47.40 1cqg h GLY 33 CO 0.90 -0.09 0.62 -2.55 0.00 0.00 0.00 176.54 175.42 1cqg h PRO 34 N -0.31 0.56 0.12 4.80 0.11 -1.95 0.19 132.00 135.52 1cqg h PRO 34 Ca -0.03 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 1cqg h PRO 34 Cb 0.24 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.25 1cqg h PRO 34 CO 0.04 0.37 -0.86 0.00 -0.21 0.00 0.00 178.00 177.34 1cqg h ALA 35 N 1.64 -0.06 -0.22 -0.75 0.00 -1.81 -3.22 119.26 114.84 1cqg h ALA 35 Ca 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cqg h ALA 35 Cb 1.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1cqg h ALA 35 CO -0.33 0.42 0.14 -0.22 0.00 0.00 0.00 179.25 179.27 1cqg h LYS 36 N -0.22 0.28 0.00 0.00 3.64 -0.08 -0.40 116.57 119.78 1cqg h LYS 36 Ca -0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1cqg h LYS 36 Cb 1.65 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1cqg h LYS 36 CO 0.16 0.19 -0.02 1.98 -2.27 0.00 0.00 179.45 179.49 1cqg h MET 37 N 0.29 0.00 -0.00 1.90 4.05 -0.66 -0.67 114.93 119.83 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 0.02 -0.01 -0.89 0.23 0.00 0.00 176.91 176.25 1cqg n ILE 38 N -4.41 0.00 0.19 1.77 5.41 -0.16 -4.10 119.36 118.06 1cqg n ILE 38 Ca -0.03 -0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1cqg n ILE 38 Cb 0.11 -0.47 0.53 0.00 -0.71 0.00 0.00 39.64 39.09 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 0.04 0.12 -0.67 0.38 2.10 -1.16 -2.92 116.57 114.46 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 0.22 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 1cqg h LYS 39 CO 0.00 0.16 0.44 -1.35 -2.00 0.00 0.00 179.45 176.70 1cqg h PRO 40 N 0.12 0.83 0.06 0.07 0.11 -1.80 0.71 132.00 132.10 1cqg h PRO 40 Ca 0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1cqg h PRO 40 Cb 0.14 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1cqg h PRO 40 CO 0.01 0.55 -0.03 0.74 -0.21 0.00 0.00 178.00 179.06 1cqg h PHE 41 N 0.86 -0.08 -0.19 0.65 -1.00 -1.83 0.85 116.94 116.20 1cqg h PHE 41 Ca 0.25 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.04 1cqg h PHE 41 Cb -0.03 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1cqg h PHE 41 CO -0.00 0.47 0.11 0.35 -1.61 0.00 0.00 178.31 177.63 1cqg h PHE 42 N -0.71 0.21 -0.37 -0.55 3.57 -1.48 0.66 116.94 118.27 1cqg h PHE 42 Ca -0.01 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1cqg h PHE 42 Cb 0.58 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1cqg h PHE 42 CO 0.12 0.13 -0.16 1.25 -2.23 0.00 0.00 178.31 177.42 1cqg h HIS 43 N 0.23 0.87 -0.51 0.41 2.76 0.39 -3.13 115.15 116.18 1cqg h HIS 43 Ca 0.07 -0.21 -0.06 0.00 -2.20 0.00 0.00 60.37 57.97 1cqg h HIS 43 Cb -0.01 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 1cqg h HIS 43 CO -0.08 0.94 0.06 0.77 -1.30 0.00 0.00 177.93 178.33 1cqg h SER 44 N 0.56 0.77 0.24 3.26 0.02 0.10 -2.45 113.55 116.06 1cqg h SER 44 Ca 0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1cqg h SER 44 Cb 0.70 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1cqg h SER 44 CO 0.05 0.80 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.43 1cqg h LEU 45 N 0.78 0.00 -1.29 5.07 3.38 -0.81 -2.19 115.31 120.24 1cqg h LEU 45 Ca 0.16 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1cqg h LEU 45 Cb 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1cqg h LEU 45 CO 0.01 0.04 0.58 0.28 0.09 0.00 0.00 178.44 179.44 1cqg h SER 46 N 0.00 0.64 0.93 -0.43 0.02 -1.45 0.53 113.55 113.78 1cqg h SER 46 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1cqg h SER 46 Cb 0.17 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cqg h SER 46 CO 0.01 0.31 -0.60 -0.33 -1.14 0.00 0.00 176.83 175.07 1cqg h GLU 47 N 0.66 0.00 0.04 3.45 3.07 -1.57 -2.78 114.58 117.45 1cqg h GLU 47 Ca 0.46 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.06 1cqg h GLU 47 Cb 0.79 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1cqg h GLU 47 CO -0.22 0.00 -1.08 -0.22 -1.40 0.00 0.00 179.01 176.09 1cqg h LYS 48 N 0.00 0.56 -2.16 2.33 3.64 0.01 -3.34 116.57 117.61 1cqg h LYS 48 Ca 0.00 -0.66 -0.59 0.00 -1.27 0.00 0.00 60.65 58.13 1cqg h LYS 48 Cb 0.77 0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.37 1cqg h LYS 48 CO 0.00 1.27 -0.69 0.66 -2.27 0.00 0.00 179.45 178.42 1cqg n TYR 49 N -3.78 2.96 0.23 1.91 4.01 0.42 -4.87 117.16 118.04 1cqg n TYR 49 Ca -0.10 -4.04 0.03 0.00 -0.16 0.00 0.00 57.90 53.62 1cqg n TYR 49 Cb 0.91 -0.52 0.14 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 0.87 0.00 -0.60 7.72 3.41 -1.05 -0.43 113.62 123.54 1cqg n SER 50 Ca 0.28 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1cqg n SER 50 Cb 0.43 -0.45 0.21 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.45 1.75 -4.21 4.04 5.15 -1.26 -4.62 115.26 114.66 1cqg n ASN 51 Ca 0.02 -1.92 -0.22 0.00 -0.60 0.00 0.00 54.58 51.85 1cqg n ASN 51 Cb 0.07 -0.19 -0.13 0.00 -0.53 0.00 0.00 39.78 38.99 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 -1.61 1.41 -0.28 3.44 1.01 0.42 -4.58 120.40 120.20 1cqg s VAL 52 Ca 0.25 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1cqg s VAL 52 Cb 0.13 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1cqg s VAL 52 CO 0.18 0.05 0.20 -0.63 0.00 0.00 0.00 175.10 174.90 1cqg s ILE 53 N -0.92 5.30 -0.21 2.22 -1.09 -1.05 -4.28 121.20 121.18 1cqg s ILE 53 Ca 0.04 0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 1cqg s ILE 53 Cb -0.09 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1cqg s ILE 53 CO 0.02 0.23 0.12 -0.36 -1.23 0.00 0.00 174.94 173.72 1cqg s PHE 54 N 1.77 3.33 -0.02 3.97 0.40 -1.19 -1.77 117.98 124.47 1cqg s PHE 54 Ca 0.07 0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1cqg s PHE 54 Cb -0.16 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1cqg s PHE 54 CO 0.11 0.15 -0.07 -0.51 0.70 0.00 0.00 175.22 175.61 1cqg s LEU 55 N 0.65 3.17 -0.14 -0.37 1.02 0.10 -2.57 118.68 120.56 1cqg s LEU 55 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 1cqg s LEU 55 Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 1cqg s LEU 55 CO 0.01 0.31 -0.12 -0.70 0.02 0.00 0.00 176.35 175.87 1cqg s GLU 56 N -1.24 3.41 -0.06 1.70 2.12 -0.80 -0.84 118.70 123.00 1cqg s GLU 56 Ca 0.16 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.85 1cqg s GLU 56 Cb -0.11 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.62 1cqg s GLU 56 CO 0.06 0.20 -0.14 0.08 -0.54 0.00 0.00 175.26 174.93 1cqg s VAL 57 N 0.38 1.22 -0.27 3.70 1.01 0.13 -2.25 120.40 124.32 1cqg s VAL 57 Ca -0.10 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1cqg s VAL 57 Cb -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1cqg s VAL 57 CO 0.05 0.37 0.46 -0.62 0.00 0.00 0.00 175.10 175.36 1cqg s ASP 58 N 0.43 6.36 0.43 3.32 2.15 -1.26 -3.66 116.67 124.44 1cqg s ASP 58 Ca -0.11 0.41 0.30 0.00 0.43 0.00 0.00 52.55 53.59 1cqg s ASP 58 Cb -0.14 -2.25 1.36 0.00 -0.30 0.00 0.00 42.92 41.59 1cqg s ASP 58 CO 0.03 -0.25 1.90 -0.37 -0.17 0.00 0.00 175.17 176.31 1cqg h VAL 59 N 5.40 0.00 0.06 1.11 -1.51 -1.75 0.99 116.25 120.56 1cqg h VAL 59 Ca -0.30 -0.26 -0.34 0.00 -1.23 0.00 0.00 66.70 64.57 1cqg h VAL 59 Cb 1.15 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 1cqg h VAL 59 CO 0.69 0.00 -1.88 0.47 -1.23 0.00 0.00 177.57 175.62 1cqg n ASP 60 N -2.66 2.01 0.03 4.19 9.92 -1.26 -2.75 116.55 126.03 1cqg n ASP 60 Ca 0.00 0.25 0.11 0.00 -0.53 0.00 0.00 54.79 54.62 1cqg n ASP 60 Cb 0.21 -0.84 0.01 0.00 -0.64 0.00 0.00 41.12 39.85 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 -3.82 0.60 -1.85 -2.24 8.00 -1.17 -4.06 116.55 112.02 1cqg n ASP 61 Ca -0.36 -0.20 -0.13 0.00 0.71 0.00 0.00 54.79 54.81 1cqg n ASP 61 Cb 0.92 0.85 0.06 0.00 -0.02 0.00 0.00 41.12 42.93 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 -1.86 4.26 0.28 2.24 0.00 0.34 -4.78 120.51 120.99 1cqg n ALA 62 Ca 0.02 -3.47 0.18 0.00 0.00 0.00 0.00 53.44 50.17 1cqg n ALA 62 Cb 0.45 -0.43 0.98 0.00 0.00 0.00 0.00 19.45 20.44 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 1.97 0.00 -0.42 0.00 3.07 -1.45 -1.42 115.11 116.86 1cqg h GLN 63 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.86 1cqg h GLN 63 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.96 1cqg h GLN 63 CO 0.50 0.00 -0.01 0.38 0.09 0.00 0.00 178.83 179.78 1cqg h ASP 64 N 0.00 0.74 -0.25 0.06 3.04 -1.87 0.30 116.42 118.44 1cqg h ASP 64 Ca 0.00 -0.31 -0.08 0.00 -3.24 0.00 0.00 57.03 53.40 1cqg h ASP 64 Cb 0.04 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.12 1cqg h ASP 64 CO 0.00 0.87 -0.15 0.58 -2.04 0.00 0.00 179.24 178.51 1cqg h VAL 65 N 0.58 1.31 -0.33 4.15 2.07 -1.62 -2.74 116.25 119.67 1cqg h VAL 65 Ca 0.12 -1.25 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 1cqg h VAL 65 Cb 0.50 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1cqg h VAL 65 CO 0.02 0.39 -0.44 0.00 0.02 0.00 0.00 177.57 177.56 1cqg h ALA 66 N 0.71 0.59 -0.24 1.67 0.00 -1.45 -2.95 119.26 117.60 1cqg h ALA 66 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1cqg h ALA 66 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cqg h ALA 66 CO 0.04 0.68 0.01 0.66 0.00 0.00 0.00 179.25 180.64 1cqg h SER 67 N 0.68 0.31 -0.74 0.00 4.64 -0.41 -1.19 113.55 116.84 1cqg h SER 67 Ca 0.04 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 1.03 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1cqg h SER 67 CO 0.10 0.36 0.23 -0.08 -0.87 0.00 0.00 176.83 176.57 1cqg h GLU 68 N 0.34 1.16 -0.06 4.77 4.81 -1.31 -2.14 114.58 122.13 1cqg h GLU 68 Ca 0.08 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1cqg h GLU 68 Cb 0.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1cqg h GLU 68 CO 0.00 0.98 0.00 0.00 -0.73 0.00 0.00 179.01 179.27 1cqg n ALA 69 N -2.45 2.58 -3.71 2.92 0.00 -0.74 -4.92 120.51 114.18 1cqg n ALA 69 Ca 0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 1cqg n ALA 69 Cb 0.23 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.05 -4.19 -1.92 0.00 -0.58 -0.53 -4.84 120.64 108.53 1cqg n GLU 70 Ca 0.18 0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 57.09 1cqg n GLU 70 Cb 0.28 -5.02 -0.03 0.00 -0.57 0.00 0.00 31.44 26.10 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 -3.67 2.55 -0.70 2.62 1.01 -1.03 -4.87 120.40 116.31 1cqg s VAL 71 Ca 0.07 0.41 0.17 0.00 0.00 0.00 0.00 61.98 62.63 1cqg s VAL 71 Cb -0.02 -3.26 -0.20 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 71 CO 0.82 0.04 0.68 0.29 0.00 0.00 0.00 175.10 176.94 1cqg n LYS 72 N 3.59 1.21 -3.50 2.72 4.76 -1.26 -5.00 118.16 120.69 1cqg n LYS 72 Ca 0.12 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.38 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.71 -1.75 0.15 7.82 0.00 -1.26 -5.17 121.76 118.83 1cqg s ALA 73 Ca 0.05 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.14 1cqg s ALA 73 Cb 0.13 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1cqg s ALA 73 CO 0.71 -0.54 -0.17 0.95 0.00 0.00 0.00 175.76 176.71 1cqg s THR 74 N -2.31 1.66 0.33 0.00 -4.23 -1.26 -4.10 115.64 105.74 1cqg s THR 74 Ca -0.03 -1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 58.40 1cqg s THR 74 Cb -0.01 -1.72 -0.09 0.00 1.34 0.00 0.00 72.50 72.02 1cqg s THR 74 CO -0.02 -0.32 1.01 -2.16 -0.54 0.00 0.00 174.62 172.59 1cqg s PRO 75 N -2.67 4.48 -0.06 3.99 0.04 -1.26 -4.89 135.00 134.63 1cqg s PRO 75 Ca 0.13 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1cqg s PRO 75 Cb -0.06 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1cqg s PRO 75 CO 0.05 0.15 -0.11 0.99 0.04 0.00 0.00 177.00 178.12 1cqg s THR 76 N -1.51 1.04 -0.13 1.26 2.01 -1.26 -2.78 115.64 114.27 1cqg s THR 76 Ca 0.51 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 1cqg s THR 76 Cb -0.23 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1cqg s THR 76 CO 0.29 0.33 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.16 1cqg s PHE 77 N 0.58 3.05 -0.00 4.92 0.08 -0.55 -0.89 117.98 125.16 1cqg s PHE 77 Ca -0.12 -0.16 0.07 0.00 0.12 0.00 0.00 56.93 56.84 1cqg s PHE 77 Cb -0.14 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1cqg s PHE 77 CO 0.03 0.10 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.37 1cqg s GLN 78 N 0.02 1.76 -0.13 0.44 -0.21 -0.42 -1.71 119.66 119.42 1cqg s GLN 78 Ca 0.01 -0.85 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 1cqg s GLN 78 Cb -0.13 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.10 1cqg s GLN 78 CO 0.02 0.47 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.58 1cqg s PHE 79 N -0.59 3.05 0.07 0.91 0.40 0.60 -0.52 117.98 121.90 1cqg s PHE 79 Ca 0.09 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1cqg s PHE 79 Cb -0.09 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1cqg s PHE 79 CO -0.00 0.15 -0.21 -0.06 0.70 0.00 0.00 175.22 175.80 1cqg s PHE 80 N -0.12 1.83 -0.09 0.36 0.08 0.06 -1.84 117.98 118.26 1cqg s PHE 80 Ca 0.03 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 1cqg s PHE 80 Cb -0.13 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1cqg s PHE 80 CO 0.02 0.15 0.20 0.21 -0.10 0.00 0.00 175.22 175.70 1cqg s LYS 81 N -1.53 0.14 -1.54 0.44 2.47 0.27 -2.46 119.74 117.54 1cqg s LYS 81 Ca 0.07 0.48 -0.15 0.00 -1.56 0.00 0.00 55.97 54.81 1cqg s LYS 81 Cb -0.09 -0.15 0.11 0.00 -1.46 0.00 0.00 37.83 36.23 1cqg s LYS 81 CO 0.03 -0.18 0.78 1.63 0.16 0.00 0.00 175.35 177.76 1cqg n LYS 82 N 4.38 -4.02 -1.70 4.03 5.02 -1.22 0.12 118.16 124.78 1cqg n LYS 82 Ca -0.23 0.48 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1cqg n LYS 82 Cb 0.52 -5.26 -0.03 0.00 -0.02 0.00 0.00 35.03 30.24 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 -1.43 0.66 3.08 0.72 0.00 -1.26 -5.01 105.19 101.95 1cqg n GLY 83 Ca 0.04 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.61 1.49 -0.05 1.61 -1.52 0.32 -5.12 119.66 112.78 1cqg s GLN 84 Ca 0.00 -0.49 -0.30 0.00 -1.95 0.00 0.00 55.36 52.62 1cqg s GLN 84 Cb 0.00 -1.31 -0.02 0.00 -0.22 0.00 0.00 33.01 31.46 1cqg s GLN 84 CO 0.00 0.18 1.02 0.21 -0.25 0.00 0.00 175.29 176.45 1cqg s LYS 85 N 0.14 4.47 0.00 2.91 2.20 -1.26 0.97 119.74 129.16 1cqg s LYS 85 Ca -0.04 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1cqg s LYS 85 Cb -0.11 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1cqg s LYS 85 CO 0.02 -0.22 0.67 1.33 -0.36 0.00 0.00 175.35 176.79 1cqg n VAL 86 N 4.28 0.44 -3.64 4.02 0.24 -0.77 -4.94 118.33 117.96 1cqg n VAL 86 Ca 0.08 -0.62 -0.02 0.00 -2.04 0.00 0.00 64.34 61.74 1cqg n VAL 86 Cb 0.49 0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.44 -0.04 -0.12 7.63 0.00 -1.24 -4.98 107.32 108.13 1cqg s GLY 87 Ca 0.00 2.42 -0.30 0.00 0.00 0.00 0.00 44.72 46.84 1cqg s GLY 87 CO 0.00 0.90 0.86 1.85 0.00 0.00 0.00 173.10 176.71 1cqg s GLU 88 N -1.47 0.80 0.10 2.90 -6.30 -1.26 -0.30 118.70 113.17 1cqg s GLU 88 Ca 0.10 0.21 -0.25 0.00 -2.50 0.00 0.00 54.97 52.53 1cqg s GLU 88 Cb -0.01 0.38 0.08 0.00 0.00 0.00 0.00 34.13 34.58 1cqg s GLU 88 CO -0.06 -0.24 0.74 -0.59 0.02 0.00 0.00 175.26 175.13 1cqg s PHE 89 N -1.10 -0.43 0.21 5.30 -0.12 -0.69 -5.02 117.98 116.14 1cqg s PHE 89 Ca -0.06 0.23 0.08 0.00 -0.05 0.00 0.00 56.93 57.13 1cqg s PHE 89 Cb -0.00 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1cqg s PHE 89 CO 0.05 -0.75 -0.15 -1.54 -0.05 0.00 0.00 175.22 172.78 1cqg s SER 90 N -2.66 2.70 0.00 1.98 1.04 -1.26 -1.48 113.70 114.01 1cqg s SER 90 Ca 0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.45 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 -0.10 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1cqg n GLY 91 N -0.41 3.71 2.60 7.32 0.00 -1.12 -4.90 105.19 112.40 1cqg n GLY 91 Ca -0.08 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.47 6.11 -4.01 4.61 0.00 -1.26 -4.82 120.51 120.68 1cqg n ALA 92 Ca 0.00 -3.64 -0.31 0.00 0.00 0.00 0.00 53.44 49.48 1cqg n ALA 92 Cb 0.00 -3.47 -0.15 0.00 0.00 0.00 0.00 19.45 15.84 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 2.94 4.79 0.28 0.00 3.84 -1.26 -4.97 114.94 120.57 1cqg s ASN 93 Ca 0.56 -2.16 0.04 0.00 0.21 0.00 0.00 52.86 51.51 1cqg s ASN 93 Cb 0.15 -1.64 0.42 0.00 -0.55 0.00 0.00 41.25 39.63 1cqg s ASN 93 CO -0.06 -0.39 1.70 0.07 -2.79 0.00 0.00 177.10 175.62 1cqg h LYS 94 N 7.62 0.35 0.00 0.43 -0.00 -1.96 -2.78 116.57 120.23 1cqg h LYS 94 Ca -0.05 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.65 60.40 1cqg h LYS 94 Cb 1.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.23 1cqg h LYS 94 CO 0.53 0.67 -0.22 0.93 -0.00 0.00 0.00 179.45 181.36 1cqg h GLU 95 N 0.30 0.00 -0.73 0.07 4.39 -2.00 -2.15 114.58 114.46 1cqg h GLU 95 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.78 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 1cqg h GLU 95 CO 0.06 0.22 0.41 -0.22 -1.16 0.00 0.00 179.01 178.32 1cqg h LYS 96 N 0.00 1.00 -0.97 2.33 3.64 -1.92 -1.11 116.57 119.54 1cqg h LYS 96 Ca -0.00 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 96 Cb 0.48 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1cqg h LYS 96 CO 0.03 0.72 0.64 -0.07 -2.27 0.00 0.00 179.45 178.50 1cqg h LEU 97 N 1.01 1.06 -0.62 5.20 3.38 -1.47 -2.14 115.31 121.73 1cqg h LEU 97 Ca 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1cqg h LEU 97 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1cqg h LEU 97 CO -0.04 0.72 0.34 -0.08 0.09 0.00 0.00 178.44 179.47 1cqg h GLU 98 N 1.23 0.86 -0.24 1.13 4.22 -1.23 -2.20 114.58 118.34 1cqg h GLU 98 Ca 0.39 -0.10 -0.09 0.00 0.08 0.00 0.00 59.36 59.64 1cqg h GLU 98 Cb 0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1cqg h GLU 98 CO -0.12 0.65 -0.22 0.00 -2.18 0.00 0.00 179.01 177.14 1cqg h ALA 99 N 1.16 0.35 -0.64 2.92 0.00 -1.18 -2.61 119.26 119.27 1cqg h ALA 99 Ca 0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 99 CO -0.04 0.30 0.10 1.15 0.00 0.00 0.00 179.25 180.77 1cqg h THR 100 N 0.28 1.26 -0.04 0.00 2.02 -1.38 0.82 112.91 115.88 1cqg h THR 100 Ca 0.04 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1cqg h THR 100 Cb 0.76 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1cqg h THR 100 CO 0.06 0.38 0.02 0.40 0.37 0.00 0.00 175.52 176.74 1cqg h ILE 101 N 0.98 1.09 -0.55 3.11 2.04 -1.40 0.15 117.51 122.93 1cqg h ILE 101 Ca 0.20 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1cqg h ILE 101 Cb 0.42 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1cqg h ILE 101 CO 0.01 0.07 0.31 -1.13 0.00 0.00 0.00 178.15 177.41 1cqg h ASN 102 N -0.04 0.66 -0.41 1.72 -0.73 -1.27 1.19 115.58 116.70 1cqg h ASN 102 Ca 0.01 -0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.01 1cqg h ASN 102 Cb 0.10 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1cqg h ASN 102 CO -0.00 0.53 -0.24 -0.08 -0.37 0.00 0.00 177.43 177.27 1cqg h GLU 103 N 0.76 0.92 -0.01 6.67 4.22 -0.03 -3.19 114.58 123.92 1cqg h GLU 103 Ca 0.20 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.24 1cqg h GLU 103 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cqg h GLU 103 CO -0.03 1.05 -0.61 1.28 -2.18 0.00 0.00 179.01 178.51 1cqg n LEU 104 N -4.10 1.61 0.00 1.64 4.77 0.43 -5.08 117.00 116.27 1cqg n LEU 104 Ca -0.00 -0.62 0.04 0.00 -0.03 0.00 0.00 56.01 55.40 1cqg n LEU 104 Cb 0.46 -0.02 0.22 0.00 -2.33 0.00 0.00 43.42 41.75 1cqg n LEU 104 CO 0.46 0.32 0.45 0.55 -1.33 0.00 0.00 177.39 177.84