#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 4.31 -0.06 1.12 1.01 -1.26 -4.53 120.40 121.00 1cqg s VAL 2 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1cqg s VAL 2 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1cqg s VAL 2 CO 0.00 -0.23 -0.09 -0.75 0.00 0.00 0.00 175.10 174.03 1cqg s LYS 3 N -4.20 1.38 -0.22 2.72 2.47 -1.05 -5.04 119.74 115.79 1cqg s LYS 3 Ca 0.43 -0.30 -0.13 0.00 -1.56 0.00 0.00 55.97 54.41 1cqg s LYS 3 Cb -0.09 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 35.03 1cqg s LYS 3 CO 0.32 -0.01 0.27 -1.14 0.16 0.00 0.00 175.35 174.95 1cqg s GLN 4 N 0.75 4.12 -0.34 4.03 0.74 -1.26 -1.63 119.66 126.06 1cqg s GLN 4 Ca -0.13 -0.05 -0.11 0.00 0.05 0.00 0.00 55.36 55.11 1cqg s GLN 4 Cb -0.15 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.42 1cqg s GLN 4 CO 0.02 0.01 0.20 0.42 -0.55 0.00 0.00 175.29 175.40 1cqg s ILE 5 N 1.18 4.80 -2.73 -2.34 -1.09 -1.05 -4.93 121.20 115.05 1cqg s ILE 5 Ca 0.13 -0.52 0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1cqg s ILE 5 Cb -0.14 -3.53 0.27 0.00 -1.58 0.00 0.00 42.46 37.48 1cqg s ILE 5 CO 0.06 -0.07 1.39 -0.62 -1.23 0.00 0.00 174.94 174.47 1cqg n GLU 6 N 5.03 1.99 -3.61 2.79 4.71 -1.26 -4.48 120.64 125.80 1cqg n GLU 6 Ca -0.13 -1.52 -0.12 0.00 -0.01 0.00 0.00 57.16 55.37 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 -2.06 -0.34 0.40 1.62 1.04 -1.26 -4.47 113.70 108.63 1cqg s SER 7 Ca 0.30 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.79 1cqg s SER 7 Cb 0.20 0.47 0.84 0.00 0.10 0.00 0.00 66.02 67.63 1cqg s SER 7 CO 0.34 -0.75 1.95 0.50 0.98 0.00 0.00 173.24 176.26 1cqg h LYS 8 N 2.70 0.23 -0.30 4.02 3.64 -1.92 -1.93 116.57 123.02 1cqg h LYS 8 Ca -0.32 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.23 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1cqg h LYS 8 CO 0.43 0.34 0.09 1.15 -2.27 0.00 0.00 179.45 179.19 1cqg h THR 9 N 0.22 0.90 0.00 1.00 2.02 -1.99 0.09 112.91 115.15 1cqg h THR 9 Ca 0.05 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1cqg h THR 9 Cb 0.31 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1cqg h THR 9 CO 0.02 0.04 -0.41 0.00 0.37 0.00 0.00 175.52 175.53 1cqg h ALA 10 N 1.20 1.20 -0.61 6.16 0.00 -1.86 -2.86 119.26 122.49 1cqg h ALA 10 Ca 0.13 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1cqg h ALA 10 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 10 CO -0.15 0.52 0.41 0.35 0.00 0.00 0.00 179.25 180.37 1cqg h PHE 11 N 0.00 0.77 -0.49 0.00 3.57 -0.26 0.20 116.94 120.73 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 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1cqg h PHE 11 CO 0.00 0.48 0.05 1.96 -2.23 0.00 0.00 178.31 178.57 1cqg h GLN 12 N 0.83 0.83 -0.77 1.11 1.08 -1.04 -1.99 115.11 115.15 1cqg h GLN 12 Ca 0.23 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1cqg h GLN 12 Cb -0.09 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.05 0.85 0.27 0.93 -0.95 0.00 0.00 178.83 179.87 1cqg h GLU 13 N 0.69 1.18 -0.55 1.46 3.07 -1.19 -2.24 114.58 117.01 1cqg h GLU 13 Ca 0.14 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 1cqg h GLU 13 Cb 0.44 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1cqg h GLU 13 CO 0.02 0.98 0.01 0.00 -1.40 0.00 0.00 179.01 178.62 1cqg h ALA 14 N 1.14 0.73 -1.01 3.43 0.00 -0.41 -0.19 119.26 122.95 1cqg h ALA 14 Ca 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cqg h ALA 14 Cb 0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 14 CO -0.01 0.55 0.67 -0.07 0.00 0.00 0.00 179.25 180.38 1cqg h LEU 15 N 0.84 1.16 -0.66 0.00 3.38 -1.09 -0.80 115.31 118.13 1cqg h LEU 15 Ca 0.16 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1cqg h LEU 15 Cb 0.52 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1cqg h LEU 15 CO 0.03 0.84 -0.46 -0.78 0.09 0.00 0.00 178.44 178.16 1cqg h ASP 16 N 1.37 0.54 -0.14 -0.43 3.58 -0.98 -3.07 116.42 117.29 1cqg h ASP 16 Ca 0.37 -0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 1cqg h ASP 16 Cb -0.16 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 1cqg h ASP 16 CO -0.08 0.92 -0.36 0.00 -2.88 0.00 0.00 179.24 176.84 1cqg h ALA 17 N 1.10 0.83 -0.41 -0.78 0.00 -0.10 -2.87 119.26 117.05 1cqg h ALA 17 Ca 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1cqg h ALA 17 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cqg h ALA 17 CO 0.08 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.11 1cqg h ALA 18 N 1.06 1.48 -0.58 0.00 0.00 -1.10 -3.47 119.26 116.65 1cqg h ALA 18 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cqg h ALA 18 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1cqg h ALA 18 CO 0.07 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1cqg n GLY 19 N -1.12 2.92 0.70 0.00 0.00 -1.08 -2.14 105.19 104.48 1cqg n GLY 19 Ca 0.03 -0.22 0.10 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 7.57 2.10 -4.80 1.61 8.00 -1.26 -2.86 116.55 126.91 1cqg n ASP 20 Ca 0.00 -1.81 -0.34 0.00 0.71 0.00 0.00 54.79 53.35 1cqg n ASP 20 Cb 0.00 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.69 4.05 0.81 -1.24 1.02 -0.91 -4.77 119.74 117.01 1cqg s LYS 21 Ca 0.33 1.28 -0.13 0.00 0.02 0.00 0.00 55.97 57.47 1cqg s LYS 21 Cb 0.18 -2.21 0.08 0.00 -0.52 0.00 0.00 37.83 35.37 1cqg s LYS 21 CO 0.26 -0.20 1.19 -1.17 -0.92 0.00 0.00 175.35 174.51 1cqg s LEU 22 N -3.21 3.12 -0.16 3.17 0.20 -1.26 -4.55 118.68 115.99 1cqg s LEU 22 Ca 0.63 2.31 -0.04 0.00 0.69 0.00 0.00 54.13 57.72 1cqg s LEU 22 Cb -0.14 -4.58 0.07 0.00 -0.43 0.00 0.00 46.19 41.11 1cqg s LEU 22 CO 0.18 -2.64 0.18 -0.69 -0.29 0.00 0.00 176.35 173.09 1cqg s VAL 23 N -2.24 -0.27 -0.07 1.68 1.01 -0.60 -2.00 120.40 117.91 1cqg s VAL 23 Ca 0.72 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 1cqg s VAL 23 Cb -0.27 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1cqg s VAL 23 CO 0.51 -0.11 0.13 -0.69 0.00 0.00 0.00 175.10 174.94 1cqg s VAL 24 N 2.29 5.28 -0.13 2.92 1.01 -0.73 -0.39 120.40 130.65 1cqg s VAL 24 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1cqg s VAL 24 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1cqg s VAL 24 CO -0.10 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1cqg s VAL 25 N -1.12 1.47 -0.27 2.92 1.01 0.67 -0.36 120.40 124.73 1cqg s VAL 25 Ca 0.19 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1cqg s VAL 25 Cb -0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1cqg s VAL 25 CO 0.09 0.44 0.23 -0.62 0.00 0.00 0.00 175.10 175.25 1cqg s ASP 26 N 1.34 6.10 -0.27 3.32 -1.08 -0.22 -1.03 116.67 124.84 1cqg s ASP 26 Ca 0.01 0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.21 1cqg s ASP 26 Cb -0.13 -2.14 0.60 0.00 -1.46 0.00 0.00 42.92 39.79 1cqg s ASP 26 CO -0.07 -0.06 1.61 0.49 0.52 0.00 0.00 175.17 177.65 1cqg n PHE 27 N 4.99 2.02 -1.73 -5.34 3.72 0.20 0.58 117.46 121.91 1cqg n PHE 27 Ca -0.13 -1.02 -0.39 0.00 -0.05 0.00 0.00 57.45 55.86 1cqg n PHE 27 Cb 0.52 -0.60 0.04 0.00 -0.94 0.00 0.00 39.48 38.50 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 2.63 -4.66 4.37 7.64 -1.23 -4.32 113.62 117.96 1cqg n SER 28 Ca 0.34 0.99 -0.41 0.00 1.01 0.00 0.00 58.87 60.80 1cqg n SER 28 Cb 1.20 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.28 3.54 0.34 -0.43 0.00 -1.26 -4.19 121.76 118.48 1cqg s ALA 29 Ca 0.70 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.67 1cqg s ALA 29 Cb -0.43 -3.14 0.62 0.00 0.00 0.00 0.00 23.12 20.17 1cqg s ALA 29 CO 0.51 -0.64 1.78 0.00 0.00 0.00 0.00 175.76 177.41 1cqg h THR 30 N 5.21 1.28 0.00 0.00 1.03 -1.92 -2.29 112.91 116.23 1cqg h THR 30 Ca -0.30 -1.36 -0.08 0.00 -0.01 0.00 0.00 66.41 64.67 1cqg h THR 30 Cb 1.13 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.87 1cqg h THR 30 CO 0.82 0.40 -0.36 4.11 -0.01 0.00 0.00 175.52 180.47 1cqg h TRP 31 N 0.09 0.00 -3.28 0.00 5.08 -2.02 -3.42 115.95 112.39 1cqg h TRP 31 Ca 0.01 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.40 1cqg h TRP 31 Cb 0.71 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.80 1cqg h TRP 31 CO 0.00 0.36 0.45 0.00 -1.28 0.00 0.00 178.44 177.98 1cqg h GLY 33 N 8.36 -0.31 0.28 0.00 0.00 -1.83 -1.72 103.07 107.85 1cqg h GLY 33 Ca -0.29 0.11 0.23 0.00 0.00 0.00 0.00 47.33 47.39 1cqg h GLY 33 CO 0.85 -0.11 0.61 -2.55 0.00 0.00 0.00 176.54 175.34 1cqg h PRO 34 N -0.60 0.15 0.00 4.80 0.11 -1.93 0.23 132.00 134.76 1cqg h PRO 34 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1cqg h PRO 34 Cb 0.44 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1cqg h PRO 34 CO 0.05 0.10 -0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1cqg h ALA 35 N 1.59 -0.00 -0.94 -0.75 0.00 -1.81 -3.24 119.26 114.11 1cqg h ALA 35 Ca 0.43 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cqg h ALA 35 Cb 1.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1cqg h ALA 35 CO -0.08 -0.02 0.62 -0.22 0.00 0.00 0.00 179.25 179.56 1cqg h LYS 36 N -0.97 1.21 -0.18 0.00 3.64 -0.61 -0.68 116.57 118.98 1cqg h LYS 36 Ca -0.00 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 36 Cb 0.91 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1cqg h LYS 36 CO 0.00 0.80 0.16 1.98 -2.27 0.00 0.00 179.45 180.12 1cqg h MET 37 N 1.25 0.00 -0.01 1.90 4.05 -0.68 0.43 114.93 121.88 1cqg h MET 37 Ca 0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1cqg h MET 37 Cb -0.11 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1cqg h MET 37 CO -0.08 0.00 -0.08 -0.89 0.23 0.00 0.00 176.91 176.09 1cqg n ILE 38 N -4.13 0.00 0.24 1.77 5.41 -0.27 -4.17 119.36 118.21 1cqg n ILE 38 Ca 0.02 -0.09 0.07 0.00 1.00 0.00 0.00 62.75 63.74 1cqg n ILE 38 Cb 0.29 -0.01 0.58 0.00 -0.71 0.00 0.00 39.64 39.79 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 0.87 0.02 -0.85 0.38 2.10 -0.87 -3.18 116.57 115.04 1cqg h LYS 39 Ca 0.00 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1cqg h LYS 39 Cb 0.33 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 1cqg h LYS 39 CO 0.00 0.08 0.56 -1.35 -2.00 0.00 0.00 179.45 176.73 1cqg h PRO 40 N 0.02 1.07 -0.24 0.07 0.11 -1.79 0.53 132.00 131.77 1cqg h PRO 40 Ca 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1cqg h PRO 40 Cb 0.12 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1cqg h PRO 40 CO 0.01 0.71 -0.09 0.74 -0.21 0.00 0.00 178.00 179.16 1cqg h PHE 41 N 1.11 0.55 0.42 0.65 -1.00 -1.88 1.00 116.94 117.80 1cqg h PHE 41 Ca 0.33 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1cqg h PHE 41 Cb -0.06 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1cqg h PHE 41 CO -0.02 0.73 -0.22 0.35 -1.61 0.00 0.00 178.31 177.55 1cqg h PHE 42 N 0.21 -0.56 -0.49 -0.55 3.57 -1.55 -1.12 116.94 116.45 1cqg h PHE 42 Ca 0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1cqg h PHE 42 Cb 0.58 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1cqg h PHE 42 CO 0.06 -0.35 -0.22 1.25 -2.23 0.00 0.00 178.31 176.82 1cqg h HIS 43 N -0.59 1.16 -0.84 0.41 2.76 0.08 -3.11 115.15 115.02 1cqg h HIS 43 Ca -0.05 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 57.82 1cqg h HIS 43 Cb 0.46 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1cqg h HIS 43 CO -0.06 1.12 0.48 0.77 -1.30 0.00 0.00 177.93 178.94 1cqg h SER 44 N 0.87 1.03 0.17 3.26 0.02 0.12 -2.08 113.55 116.93 1cqg h SER 44 Ca 0.11 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 44 Cb 0.80 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1cqg h SER 44 CO 0.07 0.81 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.47 1cqg h LEU 45 N 1.17 0.00 -1.46 5.07 3.38 -1.13 -2.22 115.31 120.12 1cqg h LEU 45 Ca 0.30 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.42 1cqg h LEU 45 Cb -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1cqg h LEU 45 CO -0.05 0.02 0.54 0.28 0.09 0.00 0.00 178.44 179.32 1cqg h SER 46 N 0.00 0.50 0.87 -0.43 0.02 -1.43 0.62 113.55 113.70 1cqg h SER 46 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cqg h SER 46 Cb 0.11 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1cqg h SER 46 CO 0.00 0.25 -0.61 -0.62 -1.14 0.00 0.00 176.83 174.72 1cqg n GLU 47 N -4.51 0.28 0.11 3.45 4.71 -0.84 -2.36 120.64 121.48 1cqg n GLU 47 Ca 0.16 0.09 -0.18 0.00 -0.01 0.00 0.00 57.16 57.22 1cqg n GLU 47 Cb 0.51 -1.68 -0.13 0.00 -1.01 0.00 0.00 31.44 29.13 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 0.36 -2.15 3.49 3.64 0.09 -3.35 116.57 118.64 1cqg h LYS 48 Ca 0.00 -0.57 -0.59 0.00 -1.27 0.00 0.00 60.65 58.23 1cqg h LYS 48 Cb 0.74 0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.35 1cqg h LYS 48 CO 0.00 1.26 -0.72 0.66 -2.27 0.00 0.00 179.45 178.37 1cqg n TYR 49 N -3.61 2.75 0.29 1.91 4.01 0.80 -4.88 117.16 118.43 1cqg n TYR 49 Ca -0.10 -4.01 0.04 0.00 -0.16 0.00 0.00 57.90 53.67 1cqg n TYR 49 Cb 1.01 -0.51 0.17 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.85 0.00 -0.55 7.72 3.41 -0.99 -0.55 113.62 123.51 1cqg n SER 50 Ca 0.28 0.39 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1cqg n SER 50 Cb 0.44 -0.43 0.31 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.43 1.63 -4.23 4.04 5.15 -1.26 -4.79 115.26 114.38 1cqg n ASN 51 Ca 0.02 -1.79 -0.24 0.00 -0.60 0.00 0.00 54.58 51.98 1cqg n ASN 51 Cb 0.08 -0.14 -0.14 0.00 -0.53 0.00 0.00 39.78 39.05 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 -1.73 1.53 -0.26 3.44 1.01 0.29 -4.46 120.40 120.22 1cqg s VAL 52 Ca 0.29 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1cqg s VAL 52 Cb 0.15 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1cqg s VAL 52 CO 0.23 0.13 0.18 -0.63 0.00 0.00 0.00 175.10 175.00 1cqg s ILE 53 N -0.85 5.33 -0.22 2.22 -1.09 -0.85 -4.95 121.20 120.80 1cqg s ILE 53 Ca 0.06 0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1cqg s ILE 53 Cb -0.09 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1cqg s ILE 53 CO 0.02 0.29 0.10 -0.36 -1.23 0.00 0.00 174.94 173.76 1cqg s PHE 54 N 1.45 3.22 -0.04 3.97 0.40 -1.26 -1.77 117.98 123.95 1cqg s PHE 54 Ca 0.07 -0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 54 Cb -0.15 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1cqg s PHE 54 CO 0.08 -0.03 -0.06 -0.51 0.70 0.00 0.00 175.22 175.40 1cqg s LEU 55 N 1.00 3.23 -0.13 -0.37 1.02 0.51 -2.54 118.68 121.41 1cqg s LEU 55 Ca 0.05 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1cqg s LEU 55 Cb -0.14 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1cqg s LEU 55 CO 0.03 0.33 -0.05 -0.70 0.02 0.00 0.00 176.35 175.98 1cqg s GLU 56 N -1.12 3.46 -0.04 1.70 2.12 -0.64 -1.05 118.70 123.12 1cqg s GLU 56 Ca 0.15 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.98 1cqg s GLU 56 Cb -0.11 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1cqg s GLU 56 CO 0.05 0.34 -0.11 0.08 -0.54 0.00 0.00 175.26 175.08 1cqg s VAL 57 N 0.07 0.98 -0.26 3.70 1.01 0.20 -2.52 120.40 123.58 1cqg s VAL 57 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1cqg s VAL 57 Cb -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1cqg s VAL 57 CO 0.03 0.30 0.34 -0.62 0.00 0.00 0.00 175.10 175.15 1cqg s ASP 58 N 0.30 6.23 0.54 3.32 2.15 -1.26 -3.50 116.67 124.45 1cqg s ASP 58 Ca -0.06 0.26 0.35 0.00 0.43 0.00 0.00 52.55 53.53 1cqg s ASP 58 Cb -0.11 -2.20 1.55 0.00 -0.30 0.00 0.00 42.92 41.87 1cqg s ASP 58 CO 0.01 -0.14 2.03 -0.37 -0.17 0.00 0.00 175.17 176.54 1cqg h VAL 59 N 5.33 0.00 0.06 1.11 -1.51 -1.75 1.11 116.25 120.59 1cqg h VAL 59 Ca -0.33 -0.37 -0.34 0.00 -1.23 0.00 0.00 66.70 64.44 1cqg h VAL 59 Cb 1.17 1.33 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 1cqg h VAL 59 CO 0.64 0.00 -1.90 0.47 -1.23 0.00 0.00 177.57 175.55 1cqg n ASP 60 N -2.99 2.02 0.05 4.19 9.92 -1.26 -2.84 116.55 125.64 1cqg n ASP 60 Ca -0.00 0.24 0.08 0.00 -0.53 0.00 0.00 54.79 54.57 1cqg n ASP 60 Cb 0.24 -0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 39.82 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 -3.79 0.58 -1.88 -2.24 8.00 -1.19 -4.06 116.55 111.98 1cqg n ASP 61 Ca -0.36 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.16 1cqg n ASP 61 Cb 0.92 0.82 0.05 0.00 -0.02 0.00 0.00 41.12 42.90 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 -2.28 5.00 0.32 2.24 0.00 0.38 -4.76 120.51 121.40 1cqg n ALA 62 Ca -0.05 -3.68 0.20 0.00 0.00 0.00 0.00 53.44 49.90 1cqg n ALA 62 Cb 0.66 -0.49 1.09 0.00 0.00 0.00 0.00 19.45 20.71 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 1.99 0.00 -0.67 0.00 3.07 -1.38 -0.95 115.11 117.17 1cqg h GLN 63 Ca 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.04 1cqg h GLN 63 Cb 1.42 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.95 1cqg h GLN 63 CO 0.76 0.00 0.20 0.38 0.09 0.00 0.00 178.83 180.25 1cqg h ASP 64 N 0.00 0.98 -0.13 0.06 3.04 -1.86 0.31 116.42 118.81 1cqg h ASP 64 Ca 0.00 -0.18 -0.13 0.00 -3.24 0.00 0.00 57.03 53.49 1cqg h ASP 64 Cb 0.02 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.06 1cqg h ASP 64 CO -0.00 0.92 -0.41 0.58 -2.04 0.00 0.00 179.24 178.29 1cqg h VAL 65 N 1.00 1.36 -0.37 4.15 2.07 -1.53 -2.97 116.25 119.97 1cqg h VAL 65 Ca 0.22 -1.70 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 1cqg h VAL 65 Cb 0.30 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1cqg h VAL 65 CO -0.01 0.51 -0.40 0.00 0.02 0.00 0.00 177.57 177.70 1cqg h ALA 66 N 0.52 0.55 -0.22 1.67 0.00 -1.32 -2.93 119.26 117.53 1cqg h ALA 66 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1cqg h ALA 66 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1cqg h ALA 66 CO 0.09 0.67 -0.02 0.66 0.00 0.00 0.00 179.25 180.64 1cqg h SER 67 N 0.74 0.30 -0.78 0.00 4.64 -0.46 0.67 113.55 118.67 1cqg h SER 67 Ca 0.06 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1cqg h SER 67 Cb 1.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1cqg h SER 67 CO 0.10 0.37 0.29 -0.08 -0.87 0.00 0.00 176.83 176.64 1cqg h GLU 68 N 0.32 1.18 -0.03 4.77 4.81 -1.34 -1.66 114.58 122.63 1cqg h GLU 68 Ca 0.07 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1cqg h GLU 68 Cb 0.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1cqg h GLU 68 CO 0.01 0.97 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 1cqg n ALA 69 N -2.44 2.59 -3.67 2.92 0.00 -0.64 -4.93 120.51 114.33 1cqg n ALA 69 Ca 0.07 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1cqg n ALA 69 Cb 0.20 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.00 -5.01 -1.89 0.00 -0.58 0.13 -4.84 120.64 108.44 1cqg n GLU 70 Ca 0.19 0.64 -0.42 0.00 -0.42 0.00 0.00 57.16 57.16 1cqg n GLU 70 Cb 0.31 -5.24 -0.03 0.00 -0.57 0.00 0.00 31.44 25.92 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 -3.64 2.47 -0.72 2.62 1.01 -0.92 -4.86 120.40 116.35 1cqg s VAL 71 Ca 0.01 0.35 0.16 0.00 0.00 0.00 0.00 61.98 62.50 1cqg s VAL 71 Cb -0.00 -3.22 -0.18 0.00 0.00 0.00 0.00 36.38 32.98 1cqg s VAL 71 CO 0.80 0.03 0.67 0.29 0.00 0.00 0.00 175.10 176.89 1cqg n LYS 72 N 3.52 1.64 -3.52 2.72 4.76 -1.26 -4.98 118.16 121.04 1cqg n LYS 72 Ca 0.12 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.38 -1.26 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 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 -2.54 -1.79 0.15 7.82 0.00 -1.26 -5.17 121.76 118.96 1cqg s ALA 73 Ca 0.05 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.35 1cqg s ALA 73 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1cqg s ALA 73 CO 0.66 -0.44 -0.19 0.95 0.00 0.00 0.00 175.76 176.74 1cqg s THR 74 N -1.69 1.80 0.34 0.00 -4.23 -1.26 -4.09 115.64 106.51 1cqg s THR 74 Ca -0.06 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 58.35 1cqg s THR 74 Cb -0.00 -1.79 -0.09 0.00 1.34 0.00 0.00 72.50 71.95 1cqg s THR 74 CO 0.03 -0.26 1.01 -2.16 -0.54 0.00 0.00 174.62 172.70 1cqg s PRO 75 N -2.61 4.44 -0.04 3.99 0.04 -1.26 -4.90 135.00 134.66 1cqg s PRO 75 Ca 0.14 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1cqg s PRO 75 Cb -0.07 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1cqg s PRO 75 CO 0.06 0.12 -0.12 0.99 0.04 0.00 0.00 177.00 178.09 1cqg s THR 76 N -1.55 1.01 -0.12 1.26 2.01 -1.26 -2.83 115.64 114.17 1cqg s THR 76 Ca 0.52 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1cqg s THR 76 Cb -0.22 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1cqg s THR 76 CO 0.28 0.31 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.06 1cqg s PHE 77 N 0.32 2.86 0.02 4.92 0.08 -0.76 -0.62 117.98 124.79 1cqg s PHE 77 Ca -0.07 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.63 1cqg s PHE 77 Cb -0.11 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1cqg s PHE 77 CO 0.02 -0.06 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.20 1cqg s GLN 78 N 0.10 1.62 -0.14 0.44 -0.21 -0.19 -2.18 119.66 119.10 1cqg s GLN 78 Ca -0.04 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 1cqg s GLN 78 Cb -0.14 -1.68 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1cqg s GLN 78 CO 0.04 0.44 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.57 1cqg s PHE 79 N -0.68 3.07 0.05 0.91 0.40 -0.09 -0.24 117.98 121.39 1cqg s PHE 79 Ca 0.09 -0.16 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 1cqg s PHE 79 Cb -0.09 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 1cqg s PHE 79 CO 0.01 0.09 -0.19 -0.06 0.70 0.00 0.00 175.22 175.76 1cqg s PHE 80 N 0.10 1.69 -0.12 0.36 0.40 0.48 -1.35 117.98 119.54 1cqg s PHE 80 Ca 0.00 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 1cqg s PHE 80 Cb -0.13 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.44 1cqg s PHE 80 CO 0.02 0.09 0.28 0.21 0.70 0.00 0.00 175.22 176.53 1cqg s LYS 81 N -1.22 0.26 -1.57 0.44 2.20 0.14 -1.55 119.74 118.43 1cqg s LYS 81 Ca 0.06 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1cqg s LYS 81 Cb -0.09 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1cqg s LYS 81 CO 0.02 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1cqg n LYS 82 N 4.05 -1.75 -1.07 4.03 5.02 -1.13 0.56 118.16 127.87 1cqg n LYS 82 Ca -0.23 0.89 -0.02 0.00 -2.02 0.00 0.00 58.31 56.92 1cqg n LYS 82 Cb 0.54 -5.42 -0.01 0.00 -0.02 0.00 0.00 35.03 30.12 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 -0.73 0.57 3.34 0.72 0.00 -1.26 -5.03 105.19 102.80 1cqg n GLY 83 Ca -0.19 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.76 2.55 -0.17 1.61 -1.52 0.19 -5.10 119.66 115.47 1cqg s GLN 84 Ca 0.00 -0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 52.28 1cqg s GLN 84 Cb 0.00 -2.24 -0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1cqg s GLN 84 CO 0.00 0.45 1.05 0.21 -0.25 0.00 0.00 175.29 176.76 1cqg s LYS 85 N -0.33 4.32 -0.02 2.91 2.20 -1.26 0.25 119.74 127.81 1cqg s LYS 85 Ca 0.02 1.41 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 1cqg s LYS 85 Cb -0.13 -3.61 0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1cqg s LYS 85 CO 0.02 -0.51 0.97 1.33 -0.36 0.00 0.00 175.35 176.80 1cqg n VAL 86 N 5.01 1.00 -3.64 4.02 0.24 -0.46 -4.96 118.33 119.55 1cqg n VAL 86 Ca 0.11 -1.06 -0.02 0.00 -2.04 0.00 0.00 64.34 61.32 1cqg n VAL 86 Cb 0.47 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.19 -0.07 -0.15 7.63 0.00 -1.23 -4.96 107.32 107.36 1cqg s GLY 87 Ca 0.05 2.34 -0.29 0.00 0.00 0.00 0.00 44.72 46.82 1cqg s GLY 87 CO 0.00 0.85 0.89 1.85 0.00 0.00 0.00 173.10 176.70 1cqg s GLU 88 N -1.58 0.74 -0.02 2.90 2.56 -1.26 -0.91 118.70 121.12 1cqg s GLU 88 Ca 0.11 0.29 -0.29 0.00 0.00 0.00 0.00 54.97 55.07 1cqg s GLU 88 Cb -0.01 0.35 0.10 0.00 2.00 0.00 0.00 34.13 36.57 1cqg s GLU 88 CO -0.05 -0.21 0.89 -0.59 -0.56 0.00 0.00 175.26 174.74 1cqg s PHE 89 N -0.88 -0.36 0.22 5.30 -0.12 -0.93 -5.03 117.98 116.18 1cqg s PHE 89 Ca -0.04 0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.18 1cqg s PHE 89 Cb -0.01 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1cqg s PHE 89 CO 0.03 -0.54 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.01 1cqg s SER 90 N -2.35 2.50 0.00 1.98 1.04 -1.26 -1.84 113.70 113.77 1cqg s SER 90 Ca 0.04 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1cqg s SER 90 Cb -0.01 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1cqg s SER 90 CO -0.08 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1cqg n GLY 91 N -0.41 3.64 2.61 7.32 0.00 -1.13 -4.90 105.19 112.32 1cqg n GLY 91 Ca -0.07 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.33 6.13 -4.01 4.61 0.00 -1.26 -4.82 120.51 120.83 1cqg n ALA 92 Ca 0.00 -3.79 -0.31 0.00 0.00 0.00 0.00 53.44 49.34 1cqg n ALA 92 Cb 0.00 -3.48 -0.15 0.00 0.00 0.00 0.00 19.45 15.82 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 2.87 4.73 0.32 0.00 3.84 -1.26 -4.97 114.94 120.46 1cqg s ASN 93 Ca 0.53 -2.20 0.07 0.00 0.21 0.00 0.00 52.86 51.48 1cqg s ASN 93 Cb 0.15 -1.61 0.54 0.00 -0.55 0.00 0.00 41.25 39.78 1cqg s ASN 93 CO -0.08 -0.37 1.76 0.07 -2.79 0.00 0.00 177.10 175.68 1cqg h LYS 94 N 7.55 0.23 0.00 0.43 -0.00 -1.96 -2.69 116.57 120.13 1cqg h LYS 94 Ca -0.04 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.65 60.46 1cqg h LYS 94 Cb 1.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.22 1cqg h LYS 94 CO 0.53 0.55 -0.24 0.93 -0.00 0.00 0.00 179.45 181.22 1cqg h GLU 95 N 0.20 0.00 -0.50 0.07 4.39 -2.00 -2.29 114.58 114.45 1cqg h GLU 95 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.71 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1cqg h GLU 95 CO 0.05 0.24 0.27 -0.22 -1.16 0.00 0.00 179.01 178.20 1cqg h LYS 96 N 0.00 0.68 -0.90 2.33 3.64 -1.90 -1.13 116.57 119.29 1cqg h LYS 96 Ca -0.00 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 96 Cb 0.48 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1cqg h LYS 96 CO 0.03 0.50 0.59 -0.07 -2.27 0.00 0.00 179.45 178.24 1cqg h LEU 97 N 0.69 1.01 -0.52 5.20 3.38 -1.50 -2.59 115.31 120.98 1cqg h LEU 97 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1cqg h LEU 97 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1cqg h LEU 97 CO -0.03 0.72 0.21 -0.08 0.09 0.00 0.00 178.44 179.35 1cqg h GLU 98 N 1.19 0.78 -0.31 1.13 4.57 -1.27 -2.29 114.58 118.37 1cqg h GLU 98 Ca 0.34 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1cqg h GLU 98 Cb -0.09 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1cqg h GLU 98 CO -0.08 0.69 -0.13 0.00 -1.18 0.00 0.00 179.01 178.30 1cqg h ALA 99 N 1.06 0.44 -0.68 2.92 0.00 -1.35 -2.43 119.26 119.22 1cqg h ALA 99 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1cqg h ALA 99 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cqg h ALA 99 CO -0.01 0.32 0.12 1.15 0.00 0.00 0.00 179.25 180.83 1cqg h THR 100 N 0.41 1.26 0.00 0.00 2.02 -1.44 0.12 112.91 115.28 1cqg h THR 100 Ca 0.07 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1cqg h THR 100 Cb 0.65 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1cqg h THR 100 CO 0.04 0.39 -0.00 0.40 0.37 0.00 0.00 175.52 176.72 1cqg h ILE 101 N 1.04 1.00 -0.55 3.11 2.04 -1.38 0.17 117.51 122.94 1cqg h ILE 101 Ca 0.21 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.07 1cqg h ILE 101 Cb 0.43 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1cqg h ILE 101 CO 0.01 0.00 0.36 -1.13 0.00 0.00 0.00 178.15 177.40 1cqg h ASN 102 N -0.01 0.61 -0.49 1.72 -0.73 -1.20 1.07 115.58 116.55 1cqg h ASN 102 Ca -0.00 -0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 1cqg h ASN 102 Cb 0.00 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1cqg h ASN 102 CO 0.00 0.44 -0.19 -0.08 -0.37 0.00 0.00 177.43 177.23 1cqg h GLU 103 N 0.72 1.01 -0.03 6.67 4.22 0.46 -3.16 114.58 124.46 1cqg h GLU 103 Ca 0.21 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 59.23 1cqg h GLU 103 Cb -0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1cqg h GLU 103 CO -0.05 1.09 -0.09 1.28 -2.18 0.00 0.00 179.01 179.07 1cqg n LEU 104 N -4.12 2.82 0.00 1.64 4.77 0.48 -5.08 117.00 117.51 1cqg n LEU 104 Ca 0.01 -0.95 0.04 0.00 -0.03 0.00 0.00 56.01 55.08 1cqg n LEU 104 Cb 0.44 -0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.80 1cqg n LEU 104 CO 0.46 0.48 0.49 0.55 -1.33 0.00 0.00 177.39 178.04