#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 5.23 -0.09 1.12 1.01 -1.26 -4.69 120.40 121.72 1cqg s VAL 2 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1cqg s VAL 2 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1cqg s VAL 2 CO 0.00 -0.34 -0.09 -0.75 0.00 0.00 0.00 175.10 173.92 1cqg s LYS 3 N -3.94 1.50 -0.22 2.72 2.20 -1.20 -5.07 119.74 115.73 1cqg s LYS 3 Ca 0.35 -0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.52 1cqg s LYS 3 Cb -0.09 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 1cqg s LYS 3 CO 0.30 -0.15 0.41 -1.14 -0.36 0.00 0.00 175.35 174.41 1cqg s GLN 4 N 1.27 4.14 -0.37 4.03 0.74 -1.26 -2.62 119.66 125.60 1cqg s GLN 4 Ca -0.03 0.20 -0.14 0.00 0.05 0.00 0.00 55.36 55.43 1cqg s GLN 4 Cb -0.14 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1cqg s GLN 4 CO -0.03 -0.10 0.27 0.42 -0.55 0.00 0.00 175.29 175.30 1cqg s ILE 5 N 1.50 5.25 -2.82 -2.34 -1.09 -0.94 -4.91 121.20 115.85 1cqg s ILE 5 Ca 0.19 -0.43 0.25 0.00 -2.23 0.00 0.00 60.65 58.43 1cqg s ILE 5 Cb -0.15 -3.80 0.27 0.00 -1.58 0.00 0.00 42.46 37.20 1cqg s ILE 5 CO 0.08 -0.15 1.38 -0.62 -1.23 0.00 0.00 174.94 174.40 1cqg n GLU 6 N 5.13 2.10 -3.59 2.79 4.71 -1.26 -4.41 120.64 126.11 1cqg n GLU 6 Ca -0.12 -1.64 -0.11 0.00 -0.01 0.00 0.00 57.16 55.28 1cqg n GLU 6 Cb 0.48 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.41 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 -2.03 -0.32 0.39 1.62 1.04 -1.26 -4.41 113.70 108.73 1cqg s SER 7 Ca 0.30 -0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.64 1cqg s SER 7 Cb 0.20 0.50 0.81 0.00 0.10 0.00 0.00 66.02 67.63 1cqg s SER 7 CO 0.32 -0.85 1.94 0.50 0.98 0.00 0.00 173.24 176.14 1cqg h LYS 8 N 2.37 0.28 -0.26 4.02 3.64 -1.92 -1.44 116.57 123.26 1cqg h LYS 8 Ca -0.34 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1cqg h LYS 8 Cb 1.26 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1cqg h LYS 8 CO 0.44 0.36 0.08 1.15 -2.27 0.00 0.00 179.45 179.22 1cqg h THR 9 N 0.27 0.93 -0.04 1.00 2.02 -1.98 -0.21 112.91 114.90 1cqg h THR 9 Ca 0.06 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1cqg h THR 9 Cb 0.30 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1cqg h THR 9 CO 0.01 0.04 -0.43 0.00 0.37 0.00 0.00 175.52 175.51 1cqg h ALA 10 N 1.17 1.21 -0.63 6.16 0.00 -1.84 -2.72 119.26 122.61 1cqg h ALA 10 Ca 0.11 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1cqg h ALA 10 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1cqg h ALA 10 CO -0.12 0.57 0.41 0.35 0.00 0.00 0.00 179.25 180.45 1cqg h PHE 11 N 0.07 0.76 -0.43 0.00 3.57 -0.03 0.33 116.94 121.22 1cqg h PHE 11 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 11 Cb 0.79 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1cqg h PHE 11 CO 0.00 0.46 -0.01 1.96 -2.23 0.00 0.00 178.31 178.49 1cqg h GLN 12 N 0.81 0.76 -0.68 1.11 1.08 -0.96 -1.91 115.11 115.32 1cqg h GLN 12 Ca 0.24 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1cqg h GLN 12 Cb -0.04 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1cqg h GLN 12 CO -0.08 0.84 0.11 0.93 -0.95 0.00 0.00 178.83 179.69 1cqg h GLU 13 N 0.59 1.12 -0.57 1.46 3.07 -1.11 -2.48 114.58 116.66 1cqg h GLU 13 Ca 0.12 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.58 1cqg h GLU 13 Cb 0.50 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1cqg h GLU 13 CO 0.02 1.02 -0.05 0.00 -1.40 0.00 0.00 179.01 178.60 1cqg h ALA 14 N 1.06 0.82 -0.96 3.43 0.00 -0.22 0.06 119.26 123.45 1cqg h ALA 14 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cqg h ALA 14 Cb 0.44 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1cqg h ALA 14 CO 0.01 0.67 0.59 -0.07 0.00 0.00 0.00 179.25 180.45 1cqg h LEU 15 N 0.94 1.14 -0.58 0.00 3.38 -1.14 -0.75 115.31 118.30 1cqg h LEU 15 Ca 0.16 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1cqg h LEU 15 Cb 0.61 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1cqg h LEU 15 CO 0.04 0.87 -0.42 -0.78 0.09 0.00 0.00 178.44 178.23 1cqg h ASP 16 N 1.32 0.70 -0.29 -0.43 1.82 -1.02 -3.09 116.42 115.44 1cqg h ASP 16 Ca 0.35 -0.33 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1cqg h ASP 16 Cb -0.08 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.72 1cqg h ASP 16 CO -0.07 1.04 -0.22 0.00 -1.61 0.00 0.00 179.24 178.38 1cqg h ALA 17 N 0.99 0.88 -0.18 -0.78 0.00 -0.27 -2.72 119.26 117.19 1cqg h ALA 17 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1cqg h ALA 17 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 17 CO 0.09 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.95 1cqg h ALA 18 N 1.08 1.65 -0.64 0.00 0.00 -1.09 -3.47 119.26 116.79 1cqg h ALA 18 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cqg h ALA 18 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 18 CO 0.06 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1cqg n GLY 19 N -1.14 2.90 0.73 0.00 0.00 -1.03 -2.00 105.19 104.66 1cqg n GLY 19 Ca -0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 7.08 2.16 -4.80 1.61 8.00 -1.26 -3.16 116.55 126.18 1cqg n ASP 20 Ca 0.00 -1.84 -0.34 0.00 0.71 0.00 0.00 54.79 53.32 1cqg n ASP 20 Cb 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.65 3.97 0.80 -1.24 1.02 -0.84 -4.77 119.74 117.03 1cqg s LYS 21 Ca 0.32 1.32 -0.14 0.00 0.02 0.00 0.00 55.97 57.50 1cqg s LYS 21 Cb 0.18 -2.19 0.08 0.00 -0.52 0.00 0.00 37.83 35.38 1cqg s LYS 21 CO 0.25 -0.28 1.22 -1.17 -0.92 0.00 0.00 175.35 174.46 1cqg s LEU 22 N -3.27 3.17 -0.17 3.17 0.20 -1.26 -4.58 118.68 115.93 1cqg s LEU 22 Ca 0.64 2.40 -0.04 0.00 0.69 0.00 0.00 54.13 57.82 1cqg s LEU 22 Cb -0.15 -4.59 0.08 0.00 -0.43 0.00 0.00 46.19 41.09 1cqg s LEU 22 CO 0.19 -2.65 0.17 -0.69 -0.29 0.00 0.00 176.35 173.08 1cqg s VAL 23 N -2.08 -0.24 -0.08 1.68 1.01 -0.61 -2.04 120.40 118.04 1cqg s VAL 23 Ca 0.74 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1cqg s VAL 23 Cb -0.30 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1cqg s VAL 23 CO 0.50 -0.18 0.14 -0.69 0.00 0.00 0.00 175.10 174.87 1cqg s VAL 24 N 2.26 5.38 -0.12 2.92 1.01 -0.81 -0.12 120.40 130.91 1cqg s VAL 24 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1cqg s VAL 24 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1cqg s VAL 24 CO -0.10 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 1cqg s VAL 25 N -1.11 1.62 -0.28 2.92 1.01 0.97 -0.18 120.40 125.36 1cqg s VAL 25 Ca 0.19 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1cqg s VAL 25 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1cqg s VAL 25 CO 0.08 0.47 0.16 -0.62 0.00 0.00 0.00 175.10 175.19 1cqg s ASP 26 N 1.05 5.78 -0.24 3.32 2.15 -0.09 -1.24 116.67 127.39 1cqg s ASP 26 Ca -0.04 -0.15 0.09 0.00 0.43 0.00 0.00 52.55 52.87 1cqg s ASP 26 Cb -0.15 -2.07 0.62 0.00 -0.30 0.00 0.00 42.92 41.03 1cqg s ASP 26 CO -0.03 -0.08 1.57 0.49 -0.17 0.00 0.00 175.17 176.95 1cqg n PHE 27 N 5.03 1.92 -1.73 -5.34 3.72 -0.34 0.38 117.46 121.10 1cqg n PHE 27 Ca -0.14 -0.90 -0.39 0.00 -0.05 0.00 0.00 57.45 55.97 1cqg n PHE 27 Cb 0.51 -0.55 0.03 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.08 2.67 -4.69 4.37 7.64 -1.24 -4.33 113.62 118.12 1cqg n SER 28 Ca 0.30 1.01 -0.41 0.00 1.01 0.00 0.00 58.87 60.79 1cqg n SER 28 Cb 1.15 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.27 3.39 0.33 -0.43 0.00 -1.26 -4.18 121.76 118.34 1cqg s ALA 29 Ca 0.68 0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.98 1cqg s ALA 29 Cb -0.44 -3.18 0.81 0.00 0.00 0.00 0.00 23.12 20.32 1cqg s ALA 29 CO 0.52 -0.41 1.84 0.00 0.00 0.00 0.00 175.76 177.71 1cqg h THR 30 N 4.98 1.08 0.00 0.00 1.03 -1.91 -2.21 112.91 115.88 1cqg h THR 30 Ca -0.35 -1.25 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 1cqg h THR 30 Cb 1.17 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 1cqg h THR 30 CO 0.80 0.34 0.00 4.11 -0.01 0.00 0.00 175.52 180.75 1cqg h TRP 31 N 0.00 0.00 -3.27 0.00 5.08 -2.02 -3.43 115.95 112.31 1cqg h TRP 31 Ca -0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.38 1cqg h TRP 31 Cb 0.68 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.77 1cqg h TRP 31 CO 0.00 0.00 0.46 0.00 -1.28 0.00 0.00 178.44 177.62 1cqg h GLY 33 N 8.64 -0.48 1.81 0.00 0.00 -1.84 -0.81 103.07 110.39 1cqg h GLY 33 Ca -0.27 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1cqg h GLY 33 CO 0.86 -0.17 0.10 -0.56 0.00 0.00 0.00 176.54 176.77 1cqg h PRO 34 N -0.64 0.14 0.09 4.80 0.13 -1.94 0.14 132.00 134.72 1cqg h PRO 34 Ca -0.05 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1cqg h PRO 34 Cb 0.46 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1cqg h PRO 34 CO 0.08 0.09 -0.04 0.00 -0.23 0.00 0.00 178.00 177.89 1cqg h ALA 35 N 1.91 -0.12 -0.84 -0.56 0.00 -1.81 -3.14 119.26 114.69 1cqg h ALA 35 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cqg h ALA 35 Cb 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1cqg h ALA 35 CO -0.01 -0.15 0.55 -0.22 0.00 0.00 0.00 179.25 179.42 1cqg h LYS 36 N -0.96 1.12 -0.06 0.00 3.64 -1.03 -1.52 116.57 117.75 1cqg h LYS 36 Ca -0.01 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1cqg h LYS 36 Cb 0.47 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1cqg h LYS 36 CO 0.02 0.75 0.05 1.98 -2.27 0.00 0.00 179.45 179.97 1cqg h MET 37 N 1.15 0.00 -0.00 1.90 4.05 -0.82 0.15 114.93 121.35 1cqg h MET 37 Ca 0.31 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 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 -0.06 -0.89 0.23 0.00 0.00 176.91 176.12 1cqg n ILE 38 N -4.34 0.00 0.20 1.77 5.41 -0.58 -4.16 119.36 117.66 1cqg n ILE 38 Ca -0.02 -0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.72 1cqg n ILE 38 Cb 0.15 -0.20 0.39 0.00 -0.71 0.00 0.00 39.64 39.28 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 0.49 0.00 -1.00 0.38 2.10 -0.92 -3.22 116.57 114.40 1cqg h LYS 39 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1cqg h LYS 39 Cb 0.30 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.54 1cqg h LYS 39 CO 0.00 0.33 0.63 -1.35 -2.00 0.00 0.00 179.45 177.06 1cqg h PRO 40 N 0.00 0.96 -0.27 0.07 0.11 -1.78 0.70 132.00 131.79 1cqg h PRO 40 Ca -0.00 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1cqg h PRO 40 Cb 0.59 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1cqg h PRO 40 CO 0.04 0.64 -0.16 0.74 -0.21 0.00 0.00 178.00 179.05 1cqg h PHE 41 N 0.99 0.69 0.42 0.65 -1.00 -1.88 1.36 116.94 118.17 1cqg h PHE 41 Ca 0.49 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 61.07 1cqg h PHE 41 Cb 0.48 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1cqg h PHE 41 CO -0.00 0.85 -0.20 0.35 -1.61 0.00 0.00 178.31 177.70 1cqg h PHE 42 N 0.32 -0.52 -0.56 -0.55 3.57 -1.32 -0.75 116.94 117.13 1cqg h PHE 42 Ca 0.06 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1cqg h PHE 42 Cb 0.69 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1cqg h PHE 42 CO 0.07 -0.31 -0.09 1.25 -2.23 0.00 0.00 178.31 176.99 1cqg h HIS 43 N -0.58 1.17 -0.71 0.41 2.76 0.39 -2.97 115.15 115.61 1cqg h HIS 43 Ca -0.06 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 57.86 1cqg h HIS 43 Cb 0.44 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1cqg h HIS 43 CO -0.04 1.06 0.38 0.77 -1.30 0.00 0.00 177.93 178.80 1cqg h SER 44 N 0.94 0.89 0.08 3.26 0.02 0.20 -1.91 113.55 117.02 1cqg h SER 44 Ca 0.15 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1cqg h SER 44 Cb 0.66 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1cqg h SER 44 CO 0.05 0.72 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.37 1cqg h LEU 45 N 1.00 0.00 -1.11 5.07 3.38 -0.97 -2.09 115.31 120.59 1cqg h LEU 45 Ca 0.25 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1cqg h LEU 45 Cb 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1cqg h LEU 45 CO -0.04 0.02 0.61 0.28 0.09 0.00 0.00 178.44 179.40 1cqg h SER 46 N 0.00 0.84 0.82 -0.43 0.02 -1.38 0.33 113.55 113.75 1cqg h SER 46 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1cqg h SER 46 Cb 0.06 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1cqg h SER 46 CO 0.00 0.45 -0.53 -0.62 -1.14 0.00 0.00 176.83 174.99 1cqg n GLU 47 N -4.59 0.21 0.12 3.45 4.71 -0.80 -2.36 120.64 121.39 1cqg n GLU 47 Ca 0.18 0.07 -0.20 0.00 -0.01 0.00 0.00 57.16 57.19 1cqg n GLU 47 Cb 0.37 -1.64 -0.15 0.00 -1.01 0.00 0.00 31.44 29.01 1cqg n GLU 47 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1cqg h LYS 48 N 0.00 0.40 -2.19 3.49 3.11 -0.66 -3.35 116.57 117.38 1cqg h LYS 48 Ca 0.00 -0.69 -0.59 0.00 -2.81 0.00 0.00 60.65 56.56 1cqg h LYS 48 Cb 0.68 0.26 -0.42 0.00 -1.00 0.00 0.00 32.23 31.75 1cqg h LYS 48 CO 0.00 1.33 -0.69 0.66 -2.81 0.00 0.00 179.45 177.94 1cqg n TYR 49 N -3.62 3.18 0.14 1.91 4.01 0.87 -4.87 117.16 118.78 1cqg n TYR 49 Ca -0.13 -4.04 0.02 0.00 -0.16 0.00 0.00 57.90 53.59 1cqg n TYR 49 Cb 1.07 -0.51 0.08 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.57 0.00 -0.75 7.72 3.41 -1.00 -0.20 113.62 123.37 1cqg n SER 50 Ca 0.29 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 1cqg n SER 50 Cb 0.43 -0.42 0.19 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.42 2.19 -4.17 4.04 5.15 -1.26 -4.83 115.26 114.96 1cqg n ASN 51 Ca 0.01 -1.99 -0.20 0.00 -0.60 0.00 0.00 54.58 51.80 1cqg n ASN 51 Cb 0.04 -0.27 -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 -1.46 1.21 -0.28 3.44 1.01 0.72 -4.55 120.40 120.49 1cqg s VAL 52 Ca 0.28 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1cqg s VAL 52 Cb 0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1cqg s VAL 52 CO 0.19 -0.04 0.17 -0.63 0.00 0.00 0.00 175.10 174.80 1cqg s ILE 53 N -0.97 5.18 -0.21 2.22 -1.09 -0.86 -4.96 121.20 120.51 1cqg s ILE 53 Ca 0.02 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.48 1cqg s ILE 53 Cb -0.09 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1cqg s ILE 53 CO 0.02 0.26 0.10 -0.36 -1.23 0.00 0.00 174.94 173.73 1cqg s PHE 54 N 1.73 3.28 -0.06 3.97 0.40 -1.26 -1.93 117.98 124.11 1cqg s PHE 54 Ca 0.07 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1cqg s PHE 54 Cb -0.16 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1cqg s PHE 54 CO 0.10 0.11 -0.06 -0.51 0.70 0.00 0.00 175.22 175.56 1cqg s LEU 55 N 0.65 3.22 -0.15 -0.37 1.02 0.75 -3.24 118.68 120.56 1cqg s LEU 55 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 1cqg s LEU 55 Cb -0.13 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 1cqg s LEU 55 CO 0.01 0.36 -0.06 -0.70 0.02 0.00 0.00 176.35 175.98 1cqg s GLU 56 N -0.86 3.59 -0.07 1.70 2.12 -1.08 -0.91 118.70 123.18 1cqg s GLU 56 Ca 0.13 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 54.92 1cqg s GLU 56 Cb -0.11 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1cqg s GLU 56 CO 0.02 0.22 -0.15 0.08 -0.54 0.00 0.00 175.26 174.89 1cqg s VAL 57 N 0.41 1.35 -0.27 3.70 1.01 0.16 -2.21 120.40 124.54 1cqg s VAL 57 Ca -0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1cqg s VAL 57 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1cqg s VAL 57 CO 0.03 0.40 0.48 -0.62 0.00 0.00 0.00 175.10 175.40 1cqg s ASP 58 N 0.60 6.38 0.58 3.32 -1.08 -1.26 -3.66 116.67 121.54 1cqg s ASP 58 Ca -0.15 0.42 0.36 0.00 -0.52 0.00 0.00 52.55 52.66 1cqg s ASP 58 Cb -0.16 -2.26 1.64 0.00 -1.46 0.00 0.00 42.92 40.67 1cqg s ASP 58 CO 0.05 -0.28 2.09 -0.37 0.52 0.00 0.00 175.17 177.18 1cqg h VAL 59 N 5.42 0.06 0.09 1.11 -1.51 -1.75 1.21 116.25 120.86 1cqg h VAL 59 Ca -0.29 -0.40 -0.35 0.00 -1.23 0.00 0.00 66.70 64.42 1cqg h VAL 59 Cb 1.14 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.66 1cqg h VAL 59 CO 0.70 0.02 -1.93 0.47 -1.23 0.00 0.00 177.57 175.60 1cqg n ASP 60 N -3.13 2.06 0.01 4.19 9.92 -1.26 -2.62 116.55 125.72 1cqg n ASP 60 Ca -0.01 0.22 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 1cqg n ASP 60 Cb 0.25 -0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 39.86 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 -3.66 0.62 -2.27 -2.24 9.92 -1.18 -4.12 116.55 113.62 1cqg n ASP 61 Ca -0.34 -0.39 -0.17 0.00 -0.53 0.00 0.00 54.79 53.36 1cqg n ASP 61 Cb 0.97 0.98 0.03 0.00 -0.64 0.00 0.00 41.12 42.46 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cqg n ALA 62 N -1.78 4.28 0.30 2.24 0.00 0.41 -4.78 120.51 121.19 1cqg n ALA 62 Ca 0.02 -3.48 0.16 0.00 0.00 0.00 0.00 53.44 50.14 1cqg n ALA 62 Cb 0.42 -0.49 0.94 0.00 0.00 0.00 0.00 19.45 20.32 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 2.31 0.00 -0.62 0.00 3.07 -1.37 -1.49 115.11 117.01 1cqg h GLN 63 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.87 1cqg h GLN 63 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 1cqg h GLN 63 CO 0.59 0.00 0.05 0.38 0.09 0.00 0.00 178.83 179.94 1cqg h ASP 64 N 0.00 1.01 -0.22 0.06 3.04 -1.88 0.58 116.42 119.02 1cqg h ASP 64 Ca 0.00 -0.26 -0.09 0.00 -3.24 0.00 0.00 57.03 53.44 1cqg h ASP 64 Cb 0.02 -0.27 -0.00 0.00 -1.04 0.00 0.00 39.33 38.04 1cqg h ASP 64 CO -0.00 1.03 -0.23 0.58 -2.04 0.00 0.00 179.24 178.58 1cqg h VAL 65 N 0.97 1.32 -0.12 4.15 2.07 -1.60 -2.98 116.25 120.06 1cqg h VAL 65 Ca 0.18 -1.40 -0.19 0.00 0.82 0.00 0.00 66.70 66.11 1cqg h VAL 65 Cb 0.49 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1cqg h VAL 65 CO 0.02 0.43 -0.71 0.00 0.02 0.00 0.00 177.57 177.33 1cqg h ALA 66 N 0.65 0.54 -0.66 1.67 0.00 -1.36 -3.17 119.26 116.93 1cqg h ALA 66 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1cqg h ALA 66 Cb 0.78 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1cqg h ALA 66 CO 0.06 0.73 0.41 0.66 0.00 0.00 0.00 179.25 181.10 1cqg h SER 67 N 0.37 0.78 -0.52 0.00 4.64 0.16 -1.50 113.55 117.49 1cqg h SER 67 Ca -0.03 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1cqg h SER 67 Cb 1.30 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1cqg h SER 67 CO 0.13 0.60 0.17 -0.08 -0.87 0.00 0.00 176.83 176.78 1cqg h GLU 68 N 0.91 0.85 -0.01 4.77 4.22 -1.49 -2.03 114.58 121.80 1cqg h GLU 68 Ca 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1cqg h GLU 68 Cb -0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1cqg h GLU 68 CO -0.05 0.74 -0.00 0.00 -2.18 0.00 0.00 179.01 177.52 1cqg n ALA 69 N -2.46 2.64 -3.69 2.92 0.00 -0.63 -4.93 120.51 114.36 1cqg n ALA 69 Ca 0.04 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1cqg n ALA 69 Cb 0.20 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.41 -5.09 -2.13 0.00 4.71 -0.77 -4.88 120.64 112.08 1cqg n GLU 70 Ca 0.21 0.64 -0.41 0.00 -0.01 0.00 0.00 57.16 57.58 1cqg n GLU 70 Cb 0.24 -5.25 -0.03 0.00 -1.01 0.00 0.00 31.44 25.39 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 -3.63 2.99 -0.52 2.62 1.01 -1.18 -4.90 120.40 116.80 1cqg s VAL 71 Ca 0.04 0.81 0.14 0.00 0.00 0.00 0.00 61.98 62.98 1cqg s VAL 71 Cb -0.02 -3.52 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 1cqg s VAL 71 CO 0.81 0.12 0.54 0.29 0.00 0.00 0.00 175.10 176.86 1cqg n LYS 72 N 2.60 1.80 -3.50 2.72 4.76 -1.26 -5.02 118.16 120.27 1cqg n LYS 72 Ca 0.07 -0.03 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 1cqg n LYS 72 Cb 0.42 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.52 -1.74 0.17 7.82 0.00 -1.26 -5.17 121.76 119.05 1cqg s ALA 73 Ca 0.03 1.10 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1cqg s ALA 73 Cb 0.11 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1cqg s ALA 73 CO 0.60 -0.49 -0.18 0.95 0.00 0.00 0.00 175.76 176.63 1cqg s THR 74 N -2.01 1.81 0.37 0.00 -4.23 -1.26 -4.14 115.64 106.18 1cqg s THR 74 Ca -0.06 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 1cqg s THR 74 Cb -0.00 -1.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.89 1cqg s THR 74 CO 0.02 -0.34 1.03 -2.16 -0.54 0.00 0.00 174.62 172.62 1cqg s PRO 75 N -2.87 4.31 -0.05 3.99 0.04 -1.26 -4.89 135.00 134.27 1cqg s PRO 75 Ca 0.16 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1cqg s PRO 75 Cb -0.05 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.84 1cqg s PRO 75 CO 0.07 -0.00 -0.12 0.99 0.04 0.00 0.00 177.00 177.97 1cqg s THR 76 N -1.61 1.06 -0.14 1.26 2.01 -1.26 -2.75 115.64 114.21 1cqg s THR 76 Ca 0.55 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 1cqg s THR 76 Cb -0.22 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 1cqg s THR 76 CO 0.28 0.33 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 1cqg s PHE 77 N 0.47 2.98 -0.02 4.92 0.08 -0.51 -1.20 117.98 124.69 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 -0.13 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1cqg s PHE 77 CO 0.02 -0.04 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.23 1cqg s GLN 78 N 0.26 1.87 -0.15 0.44 -0.21 -0.37 -1.83 119.66 119.67 1cqg s GLN 78 Ca -0.04 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.50 1cqg s GLN 78 Cb -0.14 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1cqg s GLN 78 CO 0.03 0.46 0.00 -0.06 -2.12 0.00 0.00 175.29 173.61 1cqg s PHE 79 N -0.46 3.13 0.07 0.91 0.40 -0.06 -0.02 117.98 121.95 1cqg s PHE 79 Ca 0.07 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 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 -0.00 0.14 -0.20 -0.06 0.70 0.00 0.00 175.22 175.80 1cqg s PHE 80 N 0.10 1.69 -0.12 0.36 0.40 0.83 -1.45 117.98 119.77 1cqg s PHE 80 Ca 0.02 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1cqg s PHE 80 Cb -0.13 -0.96 0.06 0.00 0.51 0.00 0.00 43.02 42.49 1cqg s PHE 80 CO 0.02 0.14 0.27 0.21 0.70 0.00 0.00 175.22 176.55 1cqg s LYS 81 N -1.55 0.20 -1.84 0.44 2.20 0.14 -1.57 119.74 117.76 1cqg s LYS 81 Ca 0.06 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1cqg s LYS 81 Cb -0.09 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1cqg s LYS 81 CO 0.03 -0.22 0.00 1.63 -0.36 0.00 0.00 175.35 176.43 1cqg n LYS 82 N 4.74 -1.66 -1.07 4.03 5.02 -1.19 0.18 118.16 128.21 1cqg n LYS 82 Ca -0.17 1.04 -0.02 0.00 -2.02 0.00 0.00 58.31 57.14 1cqg n LYS 82 Cb 0.52 -5.65 -0.01 0.00 -0.02 0.00 0.00 35.03 29.86 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 -0.90 0.58 3.36 0.72 0.00 -1.26 -5.02 105.19 102.67 1cqg n GLY 83 Ca -0.24 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.59 3.04 -0.10 1.61 -1.52 0.13 -5.09 119.66 116.14 1cqg s GLN 84 Ca 0.00 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 1cqg s GLN 84 Cb 0.00 -2.47 -0.02 0.00 -0.22 0.00 0.00 33.01 30.30 1cqg s GLN 84 CO 0.00 0.32 1.14 0.21 -0.25 0.00 0.00 175.29 176.71 1cqg s LYS 85 N 0.04 4.35 -0.02 2.91 2.20 -1.26 0.28 119.74 128.23 1cqg s LYS 85 Ca -0.06 1.56 0.03 0.00 -0.36 0.00 0.00 55.97 57.14 1cqg s LYS 85 Cb -0.15 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1cqg s LYS 85 CO 0.05 -0.46 0.95 1.33 -0.36 0.00 0.00 175.35 176.86 1cqg n VAL 86 N 4.75 0.96 0.00 4.02 0.24 -0.53 -4.95 118.33 122.82 1cqg n VAL 86 Ca 0.11 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1cqg n VAL 86 Cb 0.47 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.56 1.11 3.58 7.63 0.00 -1.23 -4.97 105.19 110.75 1cqg n GLY 87 Ca 0.02 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 0.69 0.04 1.61 -6.30 -1.26 -0.88 118.70 110.60 1cqg s GLU 88 Ca 0.00 0.28 -0.27 0.00 -2.50 0.00 0.00 54.97 52.48 1cqg s GLU 88 Cb 0.00 0.33 0.09 0.00 0.00 0.00 0.00 34.13 34.55 1cqg s GLU 88 CO 0.00 -0.19 0.78 -0.59 0.02 0.00 0.00 175.26 175.28 1cqg s PHE 89 N -0.85 -0.43 0.22 5.30 -0.12 -0.76 -5.02 117.98 116.32 1cqg s PHE 89 Ca -0.03 0.32 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 1cqg s PHE 89 Cb -0.01 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1cqg s PHE 89 CO 0.02 -0.64 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.89 1cqg s SER 90 N -2.45 2.57 0.00 1.98 1.04 -1.26 -1.43 113.70 114.15 1cqg s SER 90 Ca 0.03 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1cqg s SER 90 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1cqg s SER 90 CO -0.09 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1cqg n GLY 91 N -0.43 3.79 2.62 7.32 0.00 -1.11 -4.90 105.19 112.49 1cqg n GLY 91 Ca -0.07 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.57 5.78 -3.95 4.61 0.00 -1.26 -4.76 120.51 120.36 1cqg n ALA 92 Ca 0.00 -3.39 -0.30 0.00 0.00 0.00 0.00 53.44 49.75 1cqg n ALA 92 Cb 0.00 -3.42 -0.14 0.00 0.00 0.00 0.00 19.45 15.89 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 4.34 0.31 0.00 3.84 -1.26 -4.96 114.94 120.37 1cqg s ASN 93 Ca 0.55 -2.95 0.03 0.00 0.21 0.00 0.00 52.86 50.70 1cqg s ASN 93 Cb 0.15 -1.64 0.52 0.00 -0.55 0.00 0.00 41.25 39.73 1cqg s ASN 93 CO -0.04 -0.24 1.84 0.07 -2.79 0.00 0.00 177.10 175.93 1cqg h LYS 94 N 6.58 0.59 -0.01 0.43 -0.00 -1.94 -2.44 116.57 119.79 1cqg h LYS 94 Ca -0.08 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.65 60.41 1cqg h LYS 94 Cb 0.90 -0.08 -0.00 0.00 -0.00 0.00 0.00 32.23 33.05 1cqg h LYS 94 CO 0.68 0.63 -0.10 0.93 -0.00 0.00 0.00 179.45 181.58 1cqg h GLU 95 N 0.56 0.01 -0.27 0.07 4.39 -2.00 -1.73 114.58 115.61 1cqg h GLU 95 Ca 0.12 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1cqg h GLU 95 Cb 0.38 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1cqg h GLU 95 CO 0.01 0.11 0.10 -0.22 -1.16 0.00 0.00 179.01 177.85 1cqg h LYS 96 N 0.01 0.37 -0.98 2.33 3.64 -1.86 -1.06 116.57 119.02 1cqg h LYS 96 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.18 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1cqg h LYS 96 CO 0.01 0.32 0.65 -0.07 -2.27 0.00 0.00 179.45 178.09 1cqg h LEU 97 N 0.37 1.11 -0.79 5.20 3.38 -1.39 -2.05 115.31 121.14 1cqg h LEU 97 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1cqg h LEU 97 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1cqg h LEU 97 CO -0.01 0.79 0.44 -0.08 0.09 0.00 0.00 178.44 179.67 1cqg h GLU 98 N 1.30 1.10 -0.29 1.13 4.57 -1.26 -1.97 114.58 119.16 1cqg h GLU 98 Ca 0.37 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.33 1cqg h GLU 98 Cb -0.11 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.26 1cqg h GLU 98 CO -0.09 0.81 -0.19 0.00 -1.18 0.00 0.00 179.01 178.36 1cqg h ALA 99 N 1.23 0.42 -0.33 2.92 0.00 -1.29 -2.32 119.26 119.89 1cqg h ALA 99 Ca 0.28 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1cqg h ALA 99 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1cqg h ALA 99 CO -0.05 0.35 -0.21 1.15 0.00 0.00 0.00 179.25 180.49 1cqg h THR 100 N 0.39 1.27 0.01 0.00 2.02 -1.32 -0.21 112.91 115.07 1cqg h THR 100 Ca 0.06 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1cqg h THR 100 Cb 0.72 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1cqg h THR 100 CO 0.05 0.42 -0.00 0.40 0.37 0.00 0.00 175.52 176.75 1cqg h ILE 101 N 0.56 1.14 -0.45 3.11 2.04 -1.32 0.12 117.51 122.71 1cqg h ILE 101 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1cqg h ILE 101 Cb 0.67 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1cqg h ILE 101 CO 0.05 0.11 0.30 -1.13 0.00 0.00 0.00 178.15 177.48 1cqg h ASN 102 N -0.20 0.52 -0.49 1.72 -1.24 -1.27 1.01 115.58 115.63 1cqg h ASN 102 Ca -0.00 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.86 1cqg h ASN 102 Cb 0.19 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1cqg h ASN 102 CO 0.00 0.38 -0.20 -0.08 -1.29 0.00 0.00 177.43 176.24 1cqg h GLU 103 N 0.61 1.01 -0.02 6.67 4.22 -0.29 -3.17 114.58 123.62 1cqg h GLU 103 Ca 0.17 -0.43 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1cqg h GLU 103 Cb -0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1cqg h GLU 103 CO -0.04 1.11 -0.28 1.28 -2.18 0.00 0.00 179.01 178.90 1cqg n LEU 104 N -4.11 2.28 0.00 1.64 4.77 0.34 -5.08 117.00 116.83 1cqg n LEU 104 Ca 0.00 -0.80 0.04 0.00 -0.03 0.00 0.00 56.01 55.23 1cqg n LEU 104 Cb 0.45 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 1cqg n LEU 104 CO 0.47 0.40 0.49 0.55 -1.33 0.00 0.00 177.39 177.97