#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 5.41 -0.06 2.03 1.01 -1.26 -3.92 120.40 123.61 1cqg s VAL 2 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1cqg s VAL 2 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1cqg s VAL 2 CO 0.00 0.58 -0.10 -0.75 0.00 0.00 0.00 175.10 174.84 1cqg s LYS 3 N -1.12 1.43 -0.24 2.72 2.47 -1.11 -5.05 119.74 118.84 1cqg s LYS 3 Ca 0.18 -0.32 -0.13 0.00 -1.56 0.00 0.00 55.97 54.13 1cqg s LYS 3 Cb -0.13 -1.23 -0.04 0.00 -1.46 0.00 0.00 37.83 34.97 1cqg s LYS 3 CO 0.07 0.00 0.30 -1.14 0.16 0.00 0.00 175.35 174.74 1cqg s GLN 4 N 0.71 4.08 -0.34 4.03 0.74 -1.26 -2.00 119.66 125.62 1cqg s GLN 4 Ca -0.13 -0.04 -0.13 0.00 0.05 0.00 0.00 55.36 55.11 1cqg s GLN 4 Cb -0.15 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 1cqg s GLN 4 CO 0.03 -0.09 0.23 0.42 -0.55 0.00 0.00 175.29 175.33 1cqg s ILE 5 N 1.49 5.23 -2.83 -2.34 -1.09 -1.10 -4.92 121.20 115.64 1cqg s ILE 5 Ca 0.13 -0.22 0.25 0.00 -2.23 0.00 0.00 60.65 58.58 1cqg s ILE 5 Cb -0.15 -3.68 0.24 0.00 -1.58 0.00 0.00 42.46 37.29 1cqg s ILE 5 CO 0.08 0.00 1.33 -0.62 -1.23 0.00 0.00 174.94 174.51 1cqg n GLU 6 N 5.09 2.11 -3.62 2.79 -0.58 -1.26 -4.43 120.64 120.75 1cqg n GLU 6 Ca -0.13 -1.68 -0.13 0.00 -0.42 0.00 0.00 57.16 54.81 1cqg n GLU 6 Cb 0.50 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 1cqg n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1cqg s SER 7 N -2.04 -0.34 0.40 1.62 1.04 -1.26 -4.41 113.70 108.71 1cqg s SER 7 Ca 0.29 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.82 1cqg s SER 7 Cb 0.20 0.46 0.82 0.00 0.10 0.00 0.00 66.02 67.60 1cqg s SER 7 CO 0.33 -0.72 1.98 0.50 0.98 0.00 0.00 173.24 176.31 1cqg h LYS 8 N 2.81 0.39 -0.29 4.02 3.64 -1.92 -1.17 116.57 124.05 1cqg h LYS 8 Ca -0.32 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1cqg h LYS 8 Cb 1.22 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1cqg h LYS 8 CO 0.43 0.37 0.12 1.15 -2.27 0.00 0.00 179.45 179.26 1cqg h THR 9 N 0.39 0.96 -0.03 1.00 2.02 -1.98 -0.47 112.91 114.80 1cqg h THR 9 Ca 0.09 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 1cqg h THR 9 Cb 0.17 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1cqg h THR 9 CO -0.00 0.05 -0.48 0.00 0.37 0.00 0.00 175.52 175.46 1cqg h ALA 10 N 1.17 1.15 -0.64 6.16 0.00 -1.83 -2.76 119.26 122.51 1cqg h ALA 10 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 10 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1cqg h ALA 10 CO -0.11 0.61 0.41 0.35 0.00 0.00 0.00 179.25 180.52 1cqg h PHE 11 N 0.06 0.78 -0.50 0.00 3.57 0.07 0.24 116.94 121.16 1cqg h PHE 11 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1cqg h PHE 11 Cb 0.87 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1cqg h PHE 11 CO 0.00 0.48 0.14 1.96 -2.23 0.00 0.00 178.31 178.66 1cqg h GLN 12 N 0.83 0.78 -0.68 1.11 1.08 -0.96 -1.66 115.11 115.61 1cqg h GLN 12 Ca 0.24 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1cqg h GLN 12 Cb -0.06 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1cqg h GLN 12 CO -0.07 0.74 0.17 0.93 -0.95 0.00 0.00 178.83 179.65 1cqg h GLU 13 N 0.67 1.08 -0.56 1.46 3.07 -1.09 -2.04 114.58 117.18 1cqg h GLU 13 Ca 0.16 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 1cqg h GLU 13 Cb 0.29 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1cqg h GLU 13 CO -0.00 0.95 0.03 0.00 -1.40 0.00 0.00 179.01 178.59 1cqg h ALA 14 N 1.15 0.75 -0.87 3.43 0.00 -0.29 0.50 119.26 123.92 1cqg h ALA 14 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1cqg h ALA 14 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1cqg h ALA 14 CO 0.00 0.55 0.44 -0.07 0.00 0.00 0.00 179.25 180.17 1cqg h LEU 15 N 0.85 1.13 -0.71 0.00 3.38 -1.01 -1.00 115.31 117.94 1cqg h LEU 15 Ca 0.16 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1cqg h LEU 15 Cb 0.50 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1cqg h LEU 15 CO 0.02 0.93 -0.45 -0.78 0.09 0.00 0.00 178.44 178.26 1cqg h ASP 16 N 1.24 0.49 -0.12 -0.43 3.58 -0.97 -3.05 116.42 117.15 1cqg h ASP 16 Ca 0.30 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 1cqg h ASP 16 Cb 0.09 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1cqg h ASP 16 CO -0.04 0.87 -0.39 0.00 -2.88 0.00 0.00 179.24 176.80 1cqg h ALA 17 N 1.15 0.80 -0.60 -0.78 0.00 -0.32 -2.93 119.26 116.58 1cqg h ALA 17 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1cqg h ALA 17 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 17 CO 0.08 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.30 1cqg h ALA 18 N 1.03 1.42 -0.63 0.00 0.00 -1.10 -3.47 119.26 116.51 1cqg h ALA 18 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cqg h ALA 18 Cb 0.91 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cqg h ALA 18 CO 0.08 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1cqg n GLY 19 N -1.22 3.06 0.52 0.00 0.00 -1.11 -2.04 105.19 104.40 1cqg n GLY 19 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 1.60 -4.80 1.61 8.00 -1.26 -2.99 116.55 126.22 1cqg n ASP 20 Ca 0.00 -1.60 -0.34 0.00 0.71 0.00 0.00 54.79 53.56 1cqg n ASP 20 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.90 3.75 0.80 -1.24 1.02 -0.87 -4.76 119.74 116.55 1cqg s LYS 21 Ca 0.35 1.37 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 1cqg s LYS 21 Cb 0.19 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 35.50 1cqg s LYS 21 CO 0.30 -0.47 1.19 -1.17 -0.92 0.00 0.00 175.35 174.28 1cqg s LEU 22 N -3.55 3.14 -0.16 3.17 0.20 -1.26 -4.55 118.68 115.67 1cqg s LEU 22 Ca 0.67 2.31 -0.04 0.00 0.69 0.00 0.00 54.13 57.77 1cqg s LEU 22 Cb -0.17 -4.58 0.07 0.00 -0.43 0.00 0.00 46.19 41.08 1cqg s LEU 22 CO 0.21 -2.60 0.17 -0.69 -0.29 0.00 0.00 176.35 173.16 1cqg s VAL 23 N -2.21 -0.25 -0.11 1.68 1.01 -0.74 -2.43 120.40 117.34 1cqg s VAL 23 Ca 0.72 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 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 0.50 -0.13 0.08 -0.69 0.00 0.00 0.00 175.10 174.86 1cqg s VAL 24 N 2.27 4.98 -0.17 2.92 1.01 -0.63 -0.30 120.40 130.48 1cqg s VAL 24 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1cqg s VAL 24 Cb -0.15 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1cqg s VAL 24 CO -0.10 0.60 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1cqg s VAL 25 N -0.81 1.84 -0.43 2.92 1.01 0.91 -0.39 120.40 125.44 1cqg s VAL 25 Ca 0.13 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1cqg s VAL 25 Cb -0.12 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1cqg s VAL 25 CO 0.03 0.48 0.36 -0.62 0.00 0.00 0.00 175.10 175.35 1cqg s ASP 26 N 1.38 6.14 -0.59 3.32 2.15 -0.12 -1.05 116.67 127.90 1cqg s ASP 26 Ca 0.05 -0.91 -0.22 0.00 0.43 0.00 0.00 52.55 51.90 1cqg s ASP 26 Cb -0.13 -2.18 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 1cqg s ASP 26 CO -0.12 -0.53 0.84 -0.36 -0.17 0.00 0.00 175.17 174.84 1cqg s PHE 27 N 1.82 2.84 0.05 -5.34 0.08 0.55 -0.63 117.98 117.34 1cqg s PHE 27 Ca 0.07 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.71 1cqg s PHE 27 Cb -0.19 -4.02 -0.02 0.00 -0.57 0.00 0.00 43.02 38.21 1cqg s PHE 27 CO 0.10 -1.38 -0.16 -1.12 -0.10 0.00 0.00 175.22 172.57 1cqg s SER 28 N 3.22 1.84 -0.19 1.36 0.01 -0.63 -1.50 113.70 117.81 1cqg s SER 28 Ca 0.21 -0.51 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 1cqg s SER 28 Cb -0.17 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1cqg s SER 28 CO 0.12 0.04 0.78 0.00 0.41 0.00 0.00 173.24 174.59 1cqg s ALA 29 N -0.93 3.56 0.32 1.44 0.00 -1.26 -3.63 121.76 121.25 1cqg s ALA 29 Ca 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1cqg s ALA 29 Cb -0.08 -3.18 0.53 0.00 0.00 0.00 0.00 23.12 20.39 1cqg s ALA 29 CO 0.02 -0.70 1.80 0.00 0.00 0.00 0.00 175.76 176.88 1cqg h THR 30 N 5.25 1.23 0.00 0.00 1.03 -1.96 -2.09 112.91 116.37 1cqg h THR 30 Ca -0.28 -1.03 -0.04 0.00 -0.01 0.00 0.00 66.41 65.04 1cqg h THR 30 Cb 1.12 1.19 -0.01 0.00 -1.07 0.00 0.00 68.15 69.39 1cqg h THR 30 CO 0.83 0.33 -0.19 4.11 -0.01 0.00 0.00 175.52 180.59 1cqg h TRP 31 N 0.42 0.00 -3.55 0.00 5.08 -2.03 -3.41 115.95 112.46 1cqg h TRP 31 Ca 0.08 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.45 1cqg h TRP 31 Cb 0.51 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.57 1cqg h TRP 31 CO 0.02 0.19 0.61 0.00 -1.28 0.00 0.00 178.44 177.97 1cqg h GLY 33 N 10.25 0.13 0.51 0.00 0.00 -1.82 -2.11 103.07 110.03 1cqg h GLY 33 Ca -0.23 -0.04 0.17 0.00 0.00 0.00 0.00 47.33 47.22 1cqg h GLY 33 CO 1.00 0.03 0.56 -2.55 0.00 0.00 0.00 176.54 175.58 1cqg h PRO 34 N 0.11 0.48 0.12 4.80 0.11 -1.93 0.32 132.00 136.02 1cqg h PRO 34 Ca 0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1cqg h PRO 34 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1cqg h PRO 34 CO -0.03 0.32 -0.06 0.00 -0.21 0.00 0.00 178.00 178.03 1cqg h ALA 35 N 1.62 -0.16 -0.76 -0.75 0.00 -1.75 -3.07 119.26 114.40 1cqg h ALA 35 Ca 0.43 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cqg h ALA 35 Cb 0.91 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1cqg h ALA 35 CO -0.17 -0.19 0.50 -0.22 0.00 0.00 0.00 179.25 179.17 1cqg h LYS 36 N -0.96 0.98 -0.03 0.00 3.64 -1.17 -0.94 116.57 118.09 1cqg h LYS 36 Ca -0.02 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1cqg h LYS 36 Cb 0.46 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1cqg h LYS 36 CO 0.03 0.65 0.02 1.98 -2.27 0.00 0.00 179.45 179.86 1cqg h MET 37 N 1.01 0.00 -0.00 1.90 4.05 -0.44 0.07 114.93 121.52 1cqg h MET 37 Ca 0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1cqg h MET 37 Cb -0.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1cqg h MET 37 CO -0.06 0.00 -0.00 -0.89 0.23 0.00 0.00 176.91 176.18 1cqg n ILE 38 N -4.38 0.00 0.25 1.77 5.41 -0.36 -4.06 119.36 117.99 1cqg n ILE 38 Ca -0.02 -0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.83 1cqg n ILE 38 Cb 0.12 -0.50 0.63 0.00 -0.71 0.00 0.00 39.64 39.18 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 0.01 0.00 -0.85 0.38 2.10 -0.96 -3.25 116.57 113.99 1cqg h LYS 39 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1cqg h LYS 39 Cb 0.23 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.50 1cqg h LYS 39 CO 0.00 0.16 0.56 -1.35 -2.00 0.00 0.00 179.45 176.82 1cqg h PRO 40 N 0.00 0.93 -0.26 0.07 0.11 -1.79 0.51 132.00 131.58 1cqg h PRO 40 Ca -0.00 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 1cqg h PRO 40 Cb 0.40 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1cqg h PRO 40 CO 0.02 0.62 -0.27 0.74 -0.21 0.00 0.00 178.00 178.90 1cqg h PHE 41 N 0.96 0.76 0.05 0.65 -1.00 -1.89 0.86 116.94 117.33 1cqg h PHE 41 Ca 0.37 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1cqg h PHE 41 Cb 0.20 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1cqg h PHE 41 CO -0.00 0.95 -0.02 0.35 -1.61 0.00 0.00 178.31 177.98 1cqg h PHE 42 N 0.35 -0.06 -0.30 -0.55 3.57 -1.53 -0.26 116.94 118.16 1cqg h PHE 42 Ca 0.04 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1cqg h PHE 42 Cb 0.83 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1cqg h PHE 42 CO 0.08 0.13 -0.12 1.25 -2.23 0.00 0.00 178.31 177.42 1cqg h HIS 43 N -0.25 0.69 -0.69 0.41 2.76 0.01 -3.03 115.15 115.06 1cqg h HIS 43 Ca -0.01 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1cqg h HIS 43 Cb 0.22 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 1cqg h HIS 43 CO -0.01 0.82 0.41 0.77 -1.30 0.00 0.00 177.93 178.62 1cqg h SER 44 N 0.37 0.82 0.31 3.26 0.02 0.83 -1.91 113.55 117.25 1cqg h SER 44 Ca 0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1cqg h SER 44 Cb 0.63 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1cqg h SER 44 CO 0.04 0.63 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.25 1cqg h LEU 45 N 0.95 0.00 -1.27 5.07 3.38 -0.91 -2.36 115.31 120.17 1cqg h LEU 45 Ca 0.25 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.37 1cqg h LEU 45 Cb -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1cqg h LEU 45 CO -0.05 0.04 0.58 0.28 0.09 0.00 0.00 178.44 179.39 1cqg h SER 46 N 0.00 0.66 1.27 -0.43 0.02 -1.35 0.45 113.55 114.17 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 0.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1cqg h SER 46 CO 0.01 0.32 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.19 1cqg h GLU 47 N 0.70 0.00 0.05 3.45 3.07 -1.59 -2.65 114.58 117.60 1cqg h GLU 47 Ca 0.46 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.08 1cqg h GLU 47 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1cqg h GLU 47 CO -0.22 0.00 -1.05 -0.22 -1.40 0.00 0.00 179.01 176.12 1cqg h LYS 48 N 0.00 0.37 -2.17 2.33 3.64 -0.23 -3.34 116.57 117.18 1cqg h LYS 48 Ca 0.00 -0.47 -0.58 0.00 -1.27 0.00 0.00 60.65 58.33 1cqg h LYS 48 Cb 0.89 0.15 -0.41 0.00 -0.41 0.00 0.00 32.23 32.44 1cqg h LYS 48 CO 0.00 1.15 -0.74 0.66 -2.27 0.00 0.00 179.45 178.26 1cqg n TYR 49 N -3.68 2.82 0.25 1.91 4.01 0.50 -4.87 117.16 118.11 1cqg n TYR 49 Ca -0.08 -3.99 0.03 0.00 -0.16 0.00 0.00 57.90 53.70 1cqg n TYR 49 Cb 0.90 -0.50 0.14 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.60 0.00 -0.77 7.72 3.41 -1.00 -0.36 113.62 123.22 1cqg n SER 50 Ca 0.28 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 1cqg n SER 50 Cb 0.45 -0.40 0.18 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.40 2.24 -4.22 4.04 5.15 -1.26 -4.65 115.26 115.16 1cqg n ASN 51 Ca 0.02 -2.01 -0.21 0.00 -0.60 0.00 0.00 54.58 51.78 1cqg n ASN 51 Cb 0.06 -0.28 -0.12 0.00 -0.53 0.00 0.00 39.78 38.91 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 -1.45 1.39 -0.26 3.44 1.01 0.52 -4.64 120.40 120.41 1cqg s VAL 52 Ca 0.28 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 1cqg s VAL 52 Cb 0.15 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1cqg s VAL 52 CO 0.19 -0.14 0.16 -0.63 0.00 0.00 0.00 175.10 174.68 1cqg s ILE 53 N -1.21 5.21 -0.17 2.22 -1.09 -1.02 -4.53 121.20 120.60 1cqg s ILE 53 Ca 0.02 0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.52 1cqg s ILE 53 Cb -0.10 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1cqg s ILE 53 CO 0.03 0.30 0.01 -0.36 -1.23 0.00 0.00 174.94 173.69 1cqg s PHE 54 N 1.44 3.11 -0.01 3.97 0.40 -1.25 -1.61 117.98 124.03 1cqg s PHE 54 Ca 0.07 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1cqg s PHE 54 Cb -0.15 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1cqg s PHE 54 CO 0.08 -0.00 -0.16 -0.51 0.70 0.00 0.00 175.22 175.32 1cqg s LEU 55 N 0.49 2.68 -0.14 -0.37 1.02 0.47 -2.75 118.68 120.08 1cqg s LEU 55 Ca -0.01 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 53.84 1cqg s LEU 55 Cb -0.14 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 1cqg s LEU 55 CO 0.02 0.31 -0.09 -0.70 0.02 0.00 0.00 176.35 175.91 1cqg s GLU 56 N -1.04 3.51 -0.03 1.70 2.12 -0.85 -0.95 118.70 123.16 1cqg s GLU 56 Ca 0.13 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.90 1cqg s GLU 56 Cb -0.11 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 1cqg s GLU 56 CO 0.03 0.23 -0.17 0.08 -0.54 0.00 0.00 175.26 174.89 1cqg s VAL 57 N 0.33 1.39 -0.28 3.70 1.01 0.20 -2.73 120.40 124.02 1cqg s VAL 57 Ca -0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1cqg s VAL 57 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1cqg s VAL 57 CO 0.04 0.40 0.23 -0.62 0.00 0.00 0.00 175.10 175.16 1cqg s ASP 58 N -0.19 6.07 0.38 3.32 -1.08 -1.26 -1.60 116.67 122.31 1cqg s ASP 58 Ca 0.02 0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.34 1cqg s ASP 58 Cb -0.09 -2.14 1.14 0.00 -1.46 0.00 0.00 42.92 40.37 1cqg s ASP 58 CO 0.01 -0.10 1.83 -0.37 0.52 0.00 0.00 175.17 177.06 1cqg h VAL 59 N 5.39 0.00 0.06 1.11 -1.51 -1.80 0.88 116.25 120.38 1cqg h VAL 59 Ca -0.34 -0.36 -0.38 0.00 -1.23 0.00 0.00 66.70 64.40 1cqg h VAL 59 Cb 1.18 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.51 1cqg h VAL 59 CO 0.58 0.00 -2.23 0.47 -1.23 0.00 0.00 177.57 175.15 1cqg n ASP 60 N -2.61 1.99 0.03 4.19 9.92 -1.26 -2.82 116.55 125.99 1cqg n ASP 60 Ca 0.02 0.04 0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1cqg n ASP 60 Cb 0.27 -0.59 -0.08 0.00 -0.64 0.00 0.00 41.12 40.08 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 -3.35 0.42 -2.26 -2.24 8.00 -1.20 -4.16 116.55 111.76 1cqg n ASP 61 Ca -0.38 -0.05 -0.19 0.00 0.71 0.00 0.00 54.79 54.88 1cqg n ASP 61 Cb 1.02 1.27 0.02 0.00 -0.02 0.00 0.00 41.12 43.42 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 -2.08 4.45 0.29 2.24 0.00 0.30 -4.80 120.51 120.91 1cqg n ALA 62 Ca -0.01 -3.59 0.14 0.00 0.00 0.00 0.00 53.44 49.98 1cqg n ALA 62 Cb 0.52 -0.48 0.88 0.00 0.00 0.00 0.00 19.45 20.36 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 2.33 0.00 -0.71 0.00 3.07 -1.43 -1.10 115.11 117.27 1cqg h GLN 63 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.94 1cqg h GLN 63 Cb 1.41 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.94 1cqg h GLN 63 CO 0.63 0.01 0.28 0.38 0.09 0.00 0.00 178.83 180.23 1cqg h ASP 64 N 0.00 0.97 -0.20 0.06 3.04 -1.87 0.39 116.42 118.81 1cqg h ASP 64 Ca -0.00 -0.14 -0.10 0.00 -3.24 0.00 0.00 57.03 53.55 1cqg h ASP 64 Cb 0.03 -0.25 -0.00 0.00 -1.04 0.00 0.00 39.33 38.07 1cqg h ASP 64 CO 0.00 0.86 -0.27 0.58 -2.04 0.00 0.00 179.24 178.38 1cqg h VAL 65 N 1.03 1.33 -0.18 4.15 2.07 -1.53 -3.08 116.25 120.04 1cqg h VAL 65 Ca 0.24 -1.47 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 1cqg h VAL 65 Cb 0.20 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1cqg h VAL 65 CO -0.02 0.45 -0.62 0.00 0.02 0.00 0.00 177.57 177.40 1cqg h ALA 66 N 0.62 0.57 -0.39 1.67 0.00 -1.31 -3.09 119.26 117.33 1cqg h ALA 66 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cqg h ALA 66 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1cqg h ALA 66 CO 0.06 0.70 0.25 0.66 0.00 0.00 0.00 179.25 180.92 1cqg h SER 67 N 0.47 0.46 -0.45 0.00 4.64 -0.25 -0.99 113.55 117.42 1cqg h SER 67 Ca -0.01 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1cqg h SER 67 Cb 1.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1cqg h SER 67 CO 0.12 0.35 0.12 -0.08 -0.87 0.00 0.00 176.83 176.46 1cqg h GLU 68 N 0.54 0.78 -0.01 4.77 4.22 -1.45 -2.36 114.58 121.06 1cqg h GLU 68 Ca 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1cqg h GLU 68 Cb -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1cqg h GLU 68 CO -0.03 0.71 -0.09 0.00 -2.18 0.00 0.00 179.01 177.42 1cqg n ALA 69 N -2.46 2.75 -3.59 2.92 0.00 -0.47 -4.95 120.51 114.71 1cqg n ALA 69 Ca 0.04 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1cqg n ALA 69 Cb 0.22 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1cqg n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cqg n GLU 70 N -0.26 -5.90 -1.94 0.00 -0.58 -0.63 -4.87 120.64 106.47 1cqg n GLU 70 Ca 0.17 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 57.22 1cqg n GLU 70 Cb 0.33 -5.54 -0.03 0.00 -0.57 0.00 0.00 31.44 25.63 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 -3.49 2.65 -0.70 2.62 1.01 -1.17 -4.87 120.40 116.45 1cqg s VAL 71 Ca 0.08 0.45 0.18 0.00 0.00 0.00 0.00 61.98 62.69 1cqg s VAL 71 Cb -0.04 -3.29 -0.21 0.00 0.00 0.00 0.00 36.38 32.84 1cqg s VAL 71 CO 0.77 0.03 0.70 0.29 0.00 0.00 0.00 175.10 176.90 1cqg n LYS 72 N 4.04 0.97 -3.50 2.72 4.76 -1.26 -5.01 118.16 120.88 1cqg n LYS 72 Ca 0.14 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1cqg n LYS 72 Cb 0.39 -1.36 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.80 -1.76 0.12 7.82 0.00 -1.26 -5.18 121.76 118.70 1cqg s ALA 73 Ca 0.04 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1cqg s ALA 73 Cb 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1cqg s ALA 73 CO 0.74 -0.52 -0.13 0.95 0.00 0.00 0.00 175.76 176.81 1cqg s THR 74 N -2.16 1.26 0.39 0.00 -4.23 -1.26 -4.14 115.64 105.49 1cqg s THR 74 Ca -0.04 -1.76 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1cqg s THR 74 Cb -0.01 -1.56 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 1cqg s THR 74 CO -0.01 -0.48 1.09 -2.16 -0.54 0.00 0.00 174.62 172.52 1cqg s PRO 75 N -2.85 4.18 -0.04 3.99 0.04 -1.26 -4.93 135.00 134.14 1cqg s PRO 75 Ca 0.10 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1cqg s PRO 75 Cb -0.04 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1cqg s PRO 75 CO 0.02 -0.16 -0.12 0.99 0.04 0.00 0.00 177.00 177.78 1cqg s THR 76 N -1.52 1.00 -0.14 1.26 2.01 -0.56 -3.11 115.64 114.59 1cqg s THR 76 Ca 0.56 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.07 1cqg s THR 76 Cb -0.26 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1cqg s THR 76 CO 0.33 0.31 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.15 1cqg s PHE 77 N 0.24 2.99 -0.01 4.92 0.08 -0.62 -0.33 117.98 125.25 1cqg s PHE 77 Ca -0.05 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.76 1cqg s PHE 77 Cb -0.11 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1cqg s PHE 77 CO 0.01 -0.01 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.27 1cqg s GLN 78 N 0.20 1.64 -0.11 0.44 -0.21 -0.21 -1.54 119.66 119.86 1cqg s GLN 78 Ca -0.03 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.58 1cqg s GLN 78 Cb -0.14 -1.60 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 1cqg s GLN 78 CO 0.03 0.44 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.55 1cqg s PHE 79 N -0.51 3.07 0.06 0.91 0.40 0.27 -0.06 117.98 122.11 1cqg s PHE 79 Ca 0.08 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1cqg s PHE 79 Cb -0.08 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1cqg s PHE 79 CO -0.01 0.24 -0.18 -0.06 0.70 0.00 0.00 175.22 175.92 1cqg s PHE 80 N -0.35 1.56 -0.08 0.36 0.40 0.59 -1.62 117.98 118.83 1cqg s PHE 80 Ca 0.06 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1cqg s PHE 80 Cb -0.12 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.54 1cqg s PHE 80 CO 0.02 0.09 0.16 0.21 0.70 0.00 0.00 175.22 176.40 1cqg s LYS 81 N -1.34 0.04 -1.91 0.44 2.47 0.14 -1.79 119.74 117.79 1cqg s LYS 81 Ca 0.05 0.53 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 1cqg s LYS 81 Cb -0.09 -0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.02 1cqg s LYS 81 CO 0.02 -0.28 0.00 1.63 0.16 0.00 0.00 175.35 176.88 1cqg n LYS 82 N 5.14 -1.62 -0.81 4.03 5.02 -1.16 -1.20 118.16 127.56 1cqg n LYS 82 Ca -0.08 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1cqg n LYS 82 Cb 0.50 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 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 -0.85 0.54 3.17 0.72 0.00 -1.26 -5.04 105.19 102.46 1cqg n GLY 83 Ca -0.24 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.99 1.29 -0.07 1.61 -0.21 -0.34 -5.11 119.66 115.84 1cqg s GLN 84 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 1cqg s GLN 84 Cb 0.00 -1.29 -0.02 0.00 1.00 0.00 0.00 33.01 32.70 1cqg s GLN 84 CO 0.00 0.34 1.02 0.21 -2.12 0.00 0.00 175.29 174.74 1cqg s LYS 85 N -0.71 4.46 -0.02 2.91 2.20 -1.26 0.29 119.74 127.60 1cqg s LYS 85 Ca 0.06 1.42 0.03 0.00 -0.36 0.00 0.00 55.97 57.12 1cqg s LYS 85 Cb -0.07 -3.52 0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1cqg s LYS 85 CO 0.00 -0.25 1.02 1.33 -0.36 0.00 0.00 175.35 177.10 1cqg n VAL 86 N 4.36 1.14 0.00 4.02 0.24 -0.64 -4.93 118.33 122.52 1cqg n VAL 86 Ca 0.08 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1cqg n VAL 86 Cb 0.49 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.64 2.63 3.50 7.63 0.00 -1.25 -4.97 105.19 112.10 1cqg n GLY 87 Ca 0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1cqg n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cqg s GLU 88 N -2.00 0.87 0.11 1.61 -1.05 -1.26 -0.57 118.70 116.41 1cqg s GLU 88 Ca 0.00 -0.23 -0.25 0.00 -0.15 0.00 0.00 54.97 54.33 1cqg s GLU 88 Cb 0.00 0.40 0.07 0.00 -0.44 0.00 0.00 34.13 34.17 1cqg s GLU 88 CO 0.00 -0.36 0.80 -0.59 0.95 0.00 0.00 175.26 176.06 1cqg s PHE 89 N -2.83 -0.34 0.22 4.83 -0.12 -0.59 -5.01 117.98 114.14 1cqg s PHE 89 Ca 0.03 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 1cqg s PHE 89 Cb -0.01 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 1cqg s PHE 89 CO -0.07 -0.78 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.65 1cqg s SER 90 N -2.71 2.63 0.00 1.98 1.04 -1.26 -1.59 113.70 113.79 1cqg s SER 90 Ca 0.06 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1cqg s SER 90 Cb -0.02 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cqg s SER 90 CO -0.06 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1cqg n GLY 91 N -0.42 3.28 2.74 7.32 0.00 -1.18 -4.89 105.19 112.04 1cqg n GLY 91 Ca -0.07 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 0.19 5.38 -3.94 4.61 0.00 -1.26 -4.83 120.51 120.66 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 -3.52 -0.14 0.00 0.00 0.00 0.00 19.45 15.79 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 3.39 4.91 0.28 0.00 3.84 -1.26 -4.97 114.94 121.13 1cqg s ASN 93 Ca 0.51 -2.09 0.05 0.00 0.21 0.00 0.00 52.86 51.54 1cqg s ASN 93 Cb 0.14 -1.69 0.40 0.00 -0.55 0.00 0.00 41.25 39.55 1cqg s ASN 93 CO -0.05 -0.42 1.68 0.07 -2.79 0.00 0.00 177.10 175.58 1cqg h LYS 94 N 7.75 0.32 0.00 0.43 -0.00 -1.96 -2.91 116.57 120.20 1cqg h LYS 94 Ca -0.07 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.65 60.37 1cqg h LYS 94 Cb 1.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.25 1cqg h LYS 94 CO 0.57 0.68 -0.27 0.93 -0.00 0.00 0.00 179.45 181.36 1cqg h GLU 95 N 0.27 0.00 -0.41 0.07 4.39 -2.01 -2.30 114.58 114.60 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 0.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1cqg h GLU 95 CO 0.07 0.27 0.22 -0.22 -1.16 0.00 0.00 179.01 178.18 1cqg h LYS 96 N 0.00 0.56 -1.00 2.33 3.64 -1.94 -1.18 116.57 118.98 1cqg h LYS 96 Ca -0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1cqg h LYS 96 Cb 0.50 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1cqg h LYS 96 CO 0.03 0.42 0.65 -0.07 -2.27 0.00 0.00 179.45 178.21 1cqg h LEU 97 N 0.57 1.15 -0.70 5.20 3.38 -1.51 -2.23 115.31 121.17 1cqg h LEU 97 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1cqg h LEU 97 Cb 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1cqg h LEU 97 CO -0.02 0.84 0.34 -0.08 0.09 0.00 0.00 178.44 179.61 1cqg h GLU 98 N 1.36 1.01 -0.23 1.13 4.81 -1.28 -1.84 114.58 119.53 1cqg h GLU 98 Ca 0.36 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1cqg h GLU 98 Cb -0.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.05 1cqg h GLU 98 CO -0.08 0.79 -0.24 0.00 -0.73 0.00 0.00 179.01 178.75 1cqg h ALA 99 N 1.16 0.34 -0.67 2.92 0.00 -1.34 -2.50 119.26 119.17 1cqg h ALA 99 Ca 0.24 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1cqg h ALA 99 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 99 CO -0.03 0.31 0.10 1.15 0.00 0.00 0.00 179.25 180.78 1cqg h THR 100 N 0.26 1.27 -0.13 0.00 2.02 -1.33 0.13 112.91 115.13 1cqg h THR 100 Ca 0.03 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1cqg h THR 100 Cb 0.80 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1cqg h THR 100 CO 0.06 0.40 0.07 0.40 0.37 0.00 0.00 175.52 176.82 1cqg h ILE 101 N 1.05 1.09 -0.63 3.11 2.04 -1.34 0.18 117.51 123.00 1cqg h ILE 101 Ca 0.20 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1cqg h ILE 101 Cb 0.46 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1cqg h ILE 101 CO 0.02 0.08 0.41 -1.13 0.00 0.00 0.00 178.15 177.53 1cqg h ASN 102 N 0.12 0.74 -0.43 1.72 -0.73 -1.22 1.20 115.58 116.98 1cqg h ASN 102 Ca 0.05 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.08 1cqg h ASN 102 Cb 0.07 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1cqg h ASN 102 CO -0.01 0.54 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.38 1cqg h GLU 103 N 0.86 0.90 -0.02 6.67 4.22 0.32 -3.13 114.58 124.41 1cqg h GLU 103 Ca 0.23 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1cqg h GLU 103 Cb -0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1cqg h GLU 103 CO -0.05 0.98 -0.31 1.28 -2.18 0.00 0.00 179.01 178.73 1cqg n LEU 104 N -4.14 2.35 0.00 1.64 4.77 0.54 -5.08 117.00 117.09 1cqg n LEU 104 Ca 0.01 -0.84 0.04 0.00 -0.03 0.00 0.00 56.01 55.20 1cqg n LEU 104 Cb 0.40 -0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.73 1cqg n LEU 104 CO 0.45 0.42 0.46 0.55 -1.33 0.00 0.00 177.39 177.94