#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 5.39 -0.06 2.03 1.01 -1.26 -4.31 120.40 123.20 1cqg s VAL 2 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1cqg s VAL 2 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1cqg s VAL 2 CO 0.00 0.21 -0.10 -0.75 0.00 0.00 0.00 175.10 174.46 1cqg s LYS 3 N -2.30 1.44 -0.19 2.72 2.47 -1.17 -5.06 119.74 117.66 1cqg s LYS 3 Ca 0.32 -0.32 -0.15 0.00 -1.56 0.00 0.00 55.97 54.25 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 0.24 -0.00 0.38 -1.14 0.16 0.00 0.00 175.35 174.99 1cqg s GLN 4 N 0.72 4.19 -0.34 4.03 0.74 -1.26 -2.64 119.66 125.10 1cqg s GLN 4 Ca -0.14 0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.33 1cqg s GLN 4 Cb -0.15 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 1cqg s GLN 4 CO 0.03 0.01 0.23 0.42 -0.55 0.00 0.00 175.29 175.44 1cqg s ILE 5 N 1.15 5.26 -2.62 -2.34 -1.09 -1.06 -4.92 121.20 115.57 1cqg s ILE 5 Ca 0.19 -0.20 0.24 0.00 -2.23 0.00 0.00 60.65 58.64 1cqg s ILE 5 Cb -0.14 -3.69 0.17 0.00 -1.58 0.00 0.00 42.46 37.22 1cqg s ILE 5 CO 0.07 0.01 1.27 -0.62 -1.23 0.00 0.00 174.94 174.44 1cqg n GLU 6 N 5.10 1.87 -3.65 2.79 -0.58 -1.26 -4.49 120.64 120.43 1cqg n GLU 6 Ca -0.13 -1.50 -0.12 0.00 -0.42 0.00 0.00 57.16 54.99 1cqg n GLU 6 Cb 0.50 -1.47 -0.05 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 -2.16 -0.26 0.35 1.62 1.04 -1.26 -4.47 113.70 108.55 1cqg s SER 7 Ca 0.26 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.62 1cqg s SER 7 Cb 0.20 0.45 0.65 0.00 0.10 0.00 0.00 66.02 67.41 1cqg s SER 7 CO 0.39 -0.76 1.82 0.50 0.98 0.00 0.00 173.24 176.16 1cqg h LYS 8 N 2.67 0.18 -0.34 4.02 3.64 -1.93 -1.48 116.57 123.33 1cqg h LYS 8 Ca -0.33 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.23 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 1cqg h LYS 8 CO 0.45 0.46 0.08 1.15 -2.27 0.00 0.00 179.45 179.33 1cqg h THR 9 N 0.16 0.86 -0.07 1.00 2.02 -1.99 -0.35 112.91 114.53 1cqg h THR 9 Ca 0.02 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 67.00 1cqg h THR 9 Cb 0.60 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1cqg h THR 9 CO 0.04 0.04 -0.55 0.00 0.37 0.00 0.00 175.52 175.42 1cqg h ALA 10 N 1.24 0.94 -0.76 6.16 0.00 -1.89 -2.93 119.26 122.02 1cqg h ALA 10 Ca 0.16 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1cqg h ALA 10 Cb 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 10 CO -0.19 0.69 0.45 0.35 0.00 0.00 0.00 179.25 180.55 1cqg h PHE 11 N 0.16 0.84 -0.49 0.00 3.57 -0.05 0.35 116.94 121.32 1cqg h PHE 11 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 11 Cb 1.02 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1cqg h PHE 11 CO 0.02 0.42 0.02 1.96 -2.23 0.00 0.00 178.31 178.49 1cqg h GLN 12 N 0.83 0.85 -0.59 1.11 1.08 -1.07 -2.28 115.11 115.05 1cqg h GLN 12 Ca 0.34 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1cqg h GLN 12 Cb 0.17 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1cqg h GLN 12 CO -0.17 0.89 0.07 0.93 -0.95 0.00 0.00 178.83 179.59 1cqg h GLU 13 N 0.72 0.97 -0.57 1.46 4.39 -1.04 -2.53 114.58 117.98 1cqg h GLU 13 Ca 0.14 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 1cqg h GLU 13 Cb 0.49 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1cqg h GLU 13 CO 0.02 0.91 -0.03 0.00 -1.16 0.00 0.00 179.01 178.76 1cqg h ALA 14 N 1.16 0.77 -0.95 3.43 0.00 -0.19 -1.28 119.26 122.19 1cqg h ALA 14 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cqg h ALA 14 Cb 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1cqg h ALA 14 CO 0.01 0.62 0.57 -0.07 0.00 0.00 0.00 179.25 180.39 1cqg h LEU 15 N 0.91 1.14 -0.69 0.00 3.38 -1.20 -1.28 115.31 117.57 1cqg h LEU 15 Ca 0.16 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1cqg h LEU 15 Cb 0.58 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1cqg h LEU 15 CO 0.03 0.88 -0.48 -0.78 0.09 0.00 0.00 178.44 178.19 1cqg h ASP 16 N 1.31 0.47 -0.18 -0.43 1.82 -1.15 -3.10 116.42 115.17 1cqg h ASP 16 Ca 0.34 -0.23 -0.14 0.00 -0.39 0.00 0.00 57.03 56.62 1cqg h ASP 16 Cb -0.06 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1cqg h ASP 16 CO -0.06 0.87 -0.36 0.00 -1.61 0.00 0.00 179.24 178.08 1cqg h ALA 17 N 1.14 0.79 -0.24 -0.78 0.00 -0.53 -2.77 119.26 116.88 1cqg h ALA 17 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1cqg h ALA 17 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cqg h ALA 17 CO 0.08 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.12 1cqg h ALA 18 N 1.01 1.79 -0.65 0.00 0.00 -1.18 -3.47 119.26 116.77 1cqg h ALA 18 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cqg h ALA 18 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cqg h ALA 18 CO 0.08 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1cqg n GLY 19 N -1.44 2.77 0.61 0.00 0.00 -1.05 -1.90 105.19 104.18 1cqg n GLY 19 Ca 0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 6.61 1.84 -4.79 1.61 8.00 -1.26 -3.20 116.55 125.36 1cqg n ASP 20 Ca 0.00 -1.73 -0.35 0.00 0.71 0.00 0.00 54.79 53.43 1cqg n ASP 20 Cb 0.00 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.78 3.90 0.79 -1.24 1.02 -0.80 -4.77 119.74 116.87 1cqg s LYS 21 Ca 0.33 1.40 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 1cqg s LYS 21 Cb 0.18 -2.21 0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1cqg s LYS 21 CO 0.27 -0.35 1.20 -1.17 -0.92 0.00 0.00 175.35 174.38 1cqg s LEU 22 N -3.26 3.16 -0.10 3.17 0.20 -1.26 -4.58 118.68 116.00 1cqg s LEU 22 Ca 0.65 2.34 -0.04 0.00 0.69 0.00 0.00 54.13 57.77 1cqg s LEU 22 Cb -0.18 -4.59 0.05 0.00 -0.43 0.00 0.00 46.19 41.05 1cqg s LEU 22 CO 0.22 -2.59 0.21 -0.69 -0.29 0.00 0.00 176.35 173.21 1cqg s VAL 23 N -2.15 -0.29 -0.05 1.68 1.01 -0.70 -1.92 120.40 117.99 1cqg s VAL 23 Ca 0.73 0.29 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1cqg s VAL 23 Cb -0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1cqg s VAL 23 CO 0.50 0.12 -0.06 -0.69 0.00 0.00 0.00 175.10 174.97 1cqg s VAL 24 N 2.16 3.73 -0.15 2.92 1.01 -0.56 -0.45 120.40 129.06 1cqg s VAL 24 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1cqg s VAL 24 Cb -0.12 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1cqg s VAL 24 CO -0.07 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 1cqg s VAL 25 N -0.86 1.79 -0.42 2.92 1.01 0.41 -0.72 120.40 124.52 1cqg s VAL 25 Ca 0.14 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1cqg s VAL 25 Cb -0.11 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1cqg s VAL 25 CO 0.03 0.50 0.34 -0.62 0.00 0.00 0.00 175.10 175.35 1cqg s ASP 26 N 1.27 6.13 -0.55 3.32 2.15 -0.03 -1.29 116.67 127.67 1cqg s ASP 26 Ca 0.02 -0.92 -0.22 0.00 0.43 0.00 0.00 52.55 51.86 1cqg s ASP 26 Cb -0.13 -2.18 0.05 0.00 -0.30 0.00 0.00 42.92 40.36 1cqg s ASP 26 CO -0.09 -0.51 0.82 -0.36 -0.17 0.00 0.00 175.17 174.86 1cqg s PHE 27 N 1.77 2.88 0.03 -5.34 0.08 0.47 -0.79 117.98 117.08 1cqg s PHE 27 Ca 0.06 -0.32 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1cqg s PHE 27 Cb -0.19 -3.90 -0.02 0.00 -0.57 0.00 0.00 43.02 38.34 1cqg s PHE 27 CO 0.10 -1.27 -0.14 -1.12 -0.10 0.00 0.00 175.22 172.69 1cqg s SER 28 N 2.93 1.63 -0.19 1.36 0.01 -0.73 -1.44 113.70 117.28 1cqg s SER 28 Ca 0.23 -0.40 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 1cqg s SER 28 Cb -0.16 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1cqg s SER 28 CO 0.15 0.07 0.93 0.00 0.41 0.00 0.00 173.24 174.79 1cqg s ALA 29 N -0.71 3.56 0.36 1.44 0.00 -1.26 -3.83 121.76 121.33 1cqg s ALA 29 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1cqg s ALA 29 Cb -0.07 -3.37 0.69 0.00 0.00 0.00 0.00 23.12 20.36 1cqg s ALA 29 CO 0.01 -0.80 1.88 0.00 0.00 0.00 0.00 175.76 176.85 1cqg h THR 30 N 5.28 1.19 0.00 0.00 1.03 -1.95 -1.69 112.91 116.77 1cqg h THR 30 Ca -0.26 -0.82 -0.09 0.00 -0.01 0.00 0.00 66.41 65.23 1cqg h THR 30 Cb 1.11 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 1cqg h THR 30 CO 0.89 0.27 -0.43 4.11 -0.01 0.00 0.00 175.52 180.35 1cqg h TRP 31 N 0.34 0.00 -3.40 0.00 5.08 -2.03 -3.42 115.95 112.52 1cqg h TRP 31 Ca 0.07 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.46 1cqg h TRP 31 Cb 0.38 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.46 1cqg h TRP 31 CO 0.01 0.43 0.67 0.00 -1.28 0.00 0.00 178.44 178.27 1cqg h GLY 33 N 9.97 -0.25 0.30 0.00 0.00 -1.82 -2.46 103.07 108.81 1cqg h GLY 33 Ca -0.22 0.09 0.20 0.00 0.00 0.00 0.00 47.33 47.40 1cqg h GLY 33 CO 0.99 -0.09 0.60 -2.55 0.00 0.00 0.00 176.54 175.48 1cqg h PRO 34 N -0.31 0.44 0.10 4.80 0.11 -1.93 0.39 132.00 135.60 1cqg h PRO 34 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1cqg h PRO 34 Cb 0.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1cqg h PRO 34 CO 0.04 0.29 -0.05 0.00 -0.21 0.00 0.00 178.00 178.07 1cqg h ALA 35 N 1.61 -0.14 -0.59 -0.75 0.00 -1.80 -3.14 119.26 114.46 1cqg h ALA 35 Ca 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cqg h ALA 35 Cb 1.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1cqg h ALA 35 CO -0.20 -0.18 0.32 -0.22 0.00 0.00 0.00 179.25 178.97 1cqg h LYS 36 N -0.93 0.81 -0.14 0.00 3.64 -1.16 -0.85 116.57 117.94 1cqg h LYS 36 Ca -0.01 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1cqg h LYS 36 Cb 0.51 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1cqg h LYS 36 CO 0.02 0.60 0.13 1.98 -2.27 0.00 0.00 179.45 179.90 1cqg h MET 37 N 0.81 0.00 -0.00 1.90 4.05 -0.29 -0.06 114.93 121.35 1cqg h MET 37 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1cqg h MET 37 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1cqg h MET 37 CO -0.03 0.00 -0.35 -0.89 0.23 0.00 0.00 176.91 175.87 1cqg n ILE 38 N -4.10 0.00 0.16 1.77 5.41 -0.33 -4.27 119.36 118.00 1cqg n ILE 38 Ca 0.00 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.75 1cqg n ILE 38 Cb 0.24 0.08 0.31 0.00 -0.71 0.00 0.00 39.64 39.57 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 0.14 0.05 -1.01 0.38 2.10 -0.89 -3.23 116.57 114.11 1cqg h LYS 39 Ca 0.00 -0.02 0.24 0.00 -2.00 0.00 0.00 60.65 58.87 1cqg h LYS 39 Cb 0.49 -0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.72 1cqg h LYS 39 CO 0.00 0.44 0.64 -1.35 -2.00 0.00 0.00 179.45 177.18 1cqg h PRO 40 N 0.04 0.49 -0.35 0.07 0.11 -1.75 0.88 132.00 131.49 1cqg h PRO 40 Ca 0.00 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 1cqg h PRO 40 Cb 0.73 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1cqg h PRO 40 CO 0.05 0.33 -0.15 0.74 -0.21 0.00 0.00 178.00 178.77 1cqg h PHE 41 N 0.51 0.83 0.35 0.65 -1.00 -1.88 1.01 116.94 117.40 1cqg h PHE 41 Ca 0.58 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 61.15 1cqg h PHE 41 Cb 1.28 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1cqg h PHE 41 CO -0.00 0.91 -0.17 0.35 -1.61 0.00 0.00 178.31 177.79 1cqg h PHE 42 N 0.51 -0.44 -0.50 -0.55 3.57 -0.41 -1.35 116.94 117.78 1cqg h PHE 42 Ca 0.08 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 42 Cb 0.68 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1cqg h PHE 42 CO 0.06 -0.24 -0.16 1.25 -2.23 0.00 0.00 178.31 176.99 1cqg h HIS 43 N -0.53 1.12 -0.97 0.41 2.76 0.60 -3.13 115.15 115.41 1cqg h HIS 43 Ca -0.05 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1cqg h HIS 43 Cb 0.40 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 1cqg h HIS 43 CO -0.04 1.07 0.62 0.77 -1.30 0.00 0.00 177.93 179.05 1cqg h SER 44 N 0.85 1.14 0.39 3.26 0.02 0.12 -2.23 113.55 117.09 1cqg h SER 44 Ca 0.12 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1cqg h SER 44 Cb 0.73 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1cqg h SER 44 CO 0.06 0.85 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.53 1cqg h LEU 45 N 1.33 0.00 -1.02 5.07 3.38 -1.18 -2.90 115.31 119.99 1cqg h LEU 45 Ca 0.35 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.51 1cqg h LEU 45 Cb -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 1cqg h LEU 45 CO -0.07 0.00 0.61 0.28 0.09 0.00 0.00 178.44 179.36 1cqg h SER 46 N 0.00 0.78 1.63 -0.43 0.02 -1.46 0.74 113.55 114.83 1cqg h SER 46 Ca -0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1cqg h SER 46 Cb 0.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1cqg h SER 46 CO 0.00 0.28 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.52 1cqg h GLU 47 N 0.76 0.00 0.05 3.45 4.39 -1.71 -2.51 114.58 119.02 1cqg h GLU 47 Ca 0.58 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.01 1cqg h GLU 47 Cb 0.90 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1cqg h GLU 47 CO -0.38 0.00 -1.10 -0.22 -1.16 0.00 0.00 179.01 176.15 1cqg h LYS 48 N 0.00 0.56 -2.19 2.33 3.64 0.30 -3.33 116.57 117.88 1cqg h LYS 48 Ca 0.00 -0.68 -0.60 0.00 -1.27 0.00 0.00 60.65 58.11 1cqg h LYS 48 Cb 0.87 0.21 -0.42 0.00 -0.41 0.00 0.00 32.23 32.48 1cqg h LYS 48 CO 0.00 1.28 -0.63 0.66 -2.27 0.00 0.00 179.45 178.49 1cqg n TYR 49 N -3.78 3.48 0.17 1.91 4.01 0.04 -4.86 117.16 118.13 1cqg n TYR 49 Ca -0.11 -4.11 0.02 0.00 -0.16 0.00 0.00 57.90 53.55 1cqg n TYR 49 Cb 0.92 -0.54 0.10 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.73 0.00 -0.73 7.72 3.41 -0.95 -0.48 113.62 123.32 1cqg n SER 50 Ca 0.30 0.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1cqg n SER 50 Cb 0.42 -0.45 0.23 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 2.15 -4.22 4.04 5.15 -1.26 -4.69 115.26 114.97 1cqg n ASN 51 Ca 0.01 -1.94 -0.23 0.00 -0.60 0.00 0.00 54.58 51.83 1cqg n ASN 51 Cb 0.05 -0.24 -0.13 0.00 -0.53 0.00 0.00 39.78 38.93 1cqg n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1cqg s VAL 52 N -1.52 1.47 -0.27 3.44 1.01 0.37 -4.48 120.40 120.41 1cqg s VAL 52 Ca 0.29 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1cqg s VAL 52 Cb 0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1cqg s VAL 52 CO 0.21 0.03 0.20 -0.63 0.00 0.00 0.00 175.10 174.92 1cqg s ILE 53 N -0.96 5.31 -0.23 2.22 -1.09 -0.81 -4.73 121.20 120.90 1cqg s ILE 53 Ca 0.05 0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.59 1cqg s ILE 53 Cb -0.09 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1cqg s ILE 53 CO 0.02 0.26 0.11 -0.36 -1.23 0.00 0.00 174.94 173.74 1cqg s PHE 54 N 1.66 3.21 -0.03 3.97 0.40 -1.26 -1.50 117.98 124.42 1cqg s PHE 54 Ca 0.08 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1cqg s PHE 54 Cb -0.16 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1cqg s PHE 54 CO 0.10 -0.08 -0.09 -0.51 0.70 0.00 0.00 175.22 175.33 1cqg s LEU 55 N 1.17 3.05 -0.12 -0.37 1.02 0.10 -3.02 118.68 120.51 1cqg s LEU 55 Ca 0.06 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.06 1cqg s LEU 55 Cb -0.14 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1cqg s LEU 55 CO 0.04 0.32 -0.06 -0.70 0.02 0.00 0.00 176.35 175.97 1cqg s GLU 56 N -1.09 3.34 -0.02 1.70 2.12 -1.08 -0.85 118.70 122.83 1cqg s GLU 56 Ca 0.14 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.96 1cqg s GLU 56 Cb -0.11 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 1cqg s GLU 56 CO 0.04 0.37 -0.14 0.08 -0.54 0.00 0.00 175.26 175.07 1cqg s VAL 57 N -0.00 1.13 -0.27 3.70 1.01 0.03 -2.58 120.40 123.42 1cqg s VAL 57 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1cqg s VAL 57 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1cqg s VAL 57 CO 0.03 0.32 0.15 -0.62 0.00 0.00 0.00 175.10 174.98 1cqg s ASP 58 N -0.24 5.69 0.50 3.32 -1.08 -1.26 -1.77 116.67 121.83 1cqg s ASP 58 Ca 0.04 -0.08 0.33 0.00 -0.52 0.00 0.00 52.55 52.31 1cqg s ASP 58 Cb -0.06 -2.05 1.45 0.00 -1.46 0.00 0.00 42.92 40.79 1cqg s ASP 58 CO -0.00 -0.04 1.97 -0.37 0.52 0.00 0.00 175.17 177.25 1cqg h VAL 59 N 5.43 0.00 0.08 1.11 -1.51 -1.80 1.12 116.25 120.69 1cqg h VAL 59 Ca -0.36 -0.35 -0.36 0.00 -1.23 0.00 0.00 66.70 64.40 1cqg h VAL 59 Cb 1.18 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.59 1cqg h VAL 59 CO 0.56 0.00 -2.02 0.47 -1.23 0.00 0.00 177.57 175.35 1cqg n ASP 60 N -2.87 2.07 0.02 4.19 9.92 -1.26 -2.57 116.55 126.04 1cqg n ASP 60 Ca 0.00 0.18 0.11 0.00 -0.53 0.00 0.00 54.79 54.55 1cqg n ASP 60 Cb 0.24 -0.79 -0.04 0.00 -0.64 0.00 0.00 41.12 39.89 1cqg n ASP 60 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cqg n ASP 61 N -3.58 0.57 -2.17 -2.24 8.00 -1.18 -4.08 116.55 111.87 1cqg n ASP 61 Ca -0.35 -0.28 -0.18 0.00 0.71 0.00 0.00 54.79 54.69 1cqg n ASP 61 Cb 0.99 1.03 0.03 0.00 -0.02 0.00 0.00 41.12 43.15 1cqg n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cqg n ALA 62 N -1.87 4.42 0.33 2.24 0.00 0.38 -4.76 120.51 121.26 1cqg n ALA 62 Ca 0.01 -3.53 0.22 0.00 0.00 0.00 0.00 53.44 50.14 1cqg n ALA 62 Cb 0.45 -0.45 1.17 0.00 0.00 0.00 0.00 19.45 20.62 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 2.24 0.00 -0.54 0.00 3.07 -1.42 -1.53 115.11 116.94 1cqg h GLN 63 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.86 1cqg h GLN 63 Cb 1.47 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.01 1cqg h GLN 63 CO 0.61 0.00 -0.13 0.38 0.09 0.00 0.00 178.83 179.78 1cqg h ASP 64 N 0.00 1.04 -0.13 0.06 2.03 -1.87 0.20 116.42 117.76 1cqg h ASP 64 Ca -0.00 -0.36 -0.16 0.00 -0.73 0.00 0.00 57.03 55.78 1cqg h ASP 64 Cb 0.05 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 38.27 1cqg h ASP 64 CO 0.00 1.16 -0.56 0.58 -1.03 0.00 0.00 179.24 179.39 1cqg h VAL 65 N 0.91 1.34 -0.32 4.15 2.07 -1.64 -2.96 116.25 119.80 1cqg h VAL 65 Ca 0.14 -1.83 -0.18 0.00 0.82 0.00 0.00 66.70 65.64 1cqg h VAL 65 Cb 0.71 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1cqg h VAL 65 CO 0.05 0.56 -0.50 0.00 0.02 0.00 0.00 177.57 177.70 1cqg h ALA 66 N 0.51 0.50 -0.57 1.67 0.00 -1.43 -3.01 119.26 116.93 1cqg h ALA 66 Ca -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cqg h ALA 66 Cb 1.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1cqg h ALA 66 CO 0.12 0.68 0.35 0.66 0.00 0.00 0.00 179.25 181.06 1cqg h SER 67 N 0.71 0.67 -0.84 0.00 4.64 -0.64 -0.61 113.55 117.46 1cqg h SER 67 Ca 0.03 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1cqg h SER 67 Cb 1.11 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1cqg h SER 67 CO 0.12 0.51 0.40 -0.08 -0.87 0.00 0.00 176.83 176.90 1cqg h GLU 68 N 0.77 1.22 -0.01 4.77 4.81 -1.39 -2.08 114.58 122.68 1cqg h GLU 68 Ca 0.21 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1cqg h GLU 68 Cb -0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1cqg h GLU 68 CO -0.04 0.94 -0.05 0.00 -0.73 0.00 0.00 179.01 179.13 1cqg n ALA 69 N -2.42 2.70 -3.66 2.92 0.00 -0.54 -4.93 120.51 114.57 1cqg n ALA 69 Ca 0.08 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1cqg n ALA 69 Cb 0.14 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.50 -5.16 -2.06 0.00 4.71 -0.35 -4.86 120.64 112.42 1cqg n GLU 70 Ca 0.18 0.65 -0.42 0.00 -0.01 0.00 0.00 57.16 57.57 1cqg n GLU 70 Cb 0.27 -5.28 -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 -3.62 2.93 -0.74 2.62 1.01 -1.14 -4.89 120.40 116.57 1cqg s VAL 71 Ca 0.00 0.70 0.17 0.00 0.00 0.00 0.00 61.98 62.85 1cqg s VAL 71 Cb -0.00 -3.45 -0.19 0.00 0.00 0.00 0.00 36.38 32.74 1cqg s VAL 71 CO 0.80 0.07 0.70 0.29 0.00 0.00 0.00 175.10 176.96 1cqg n LYS 72 N 3.47 1.32 -3.49 2.72 4.76 -1.26 -5.01 118.16 120.66 1cqg n LYS 72 Ca 0.11 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1cqg n LYS 72 Cb 0.41 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cqg s ALA 73 N -2.65 -1.74 0.11 7.82 0.00 -1.26 -5.18 121.76 118.86 1cqg s ALA 73 Ca 0.05 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1cqg s ALA 73 Cb 0.13 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1cqg s ALA 73 CO 0.70 -0.56 -0.14 0.95 0.00 0.00 0.00 175.76 176.71 1cqg s THR 74 N -2.44 1.24 0.32 0.00 -4.23 -1.26 -4.10 115.64 105.17 1cqg s THR 74 Ca -0.03 -1.63 -0.27 0.00 -1.18 0.00 0.00 61.69 58.58 1cqg s THR 74 Cb -0.01 -1.42 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 1cqg s THR 74 CO -0.03 -0.40 1.05 -2.16 -0.54 0.00 0.00 174.62 172.55 1cqg s PRO 75 N -2.51 4.48 -0.06 3.99 0.04 -1.26 -4.91 135.00 134.76 1cqg s PRO 75 Ca 0.06 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1cqg s PRO 75 Cb -0.06 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1cqg s PRO 75 CO 0.02 0.12 -0.17 0.99 0.04 0.00 0.00 177.00 178.00 1cqg s THR 76 N -1.38 1.46 -0.15 1.26 2.01 -0.52 -2.98 115.64 115.33 1cqg s THR 76 Ca 0.49 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1cqg s THR 76 Cb -0.27 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1cqg s THR 76 CO 0.34 0.42 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.31 1cqg s PHE 77 N 0.33 3.06 -0.00 4.92 0.08 -0.16 -0.40 117.98 125.81 1cqg s PHE 77 Ca -0.11 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.80 1cqg s PHE 77 Cb -0.14 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1cqg s PHE 77 CO 0.04 0.03 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.31 1cqg s GLN 78 N 0.27 1.79 -0.14 0.44 -0.21 -0.41 -1.41 119.66 119.99 1cqg s GLN 78 Ca -0.02 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1cqg s GLN 78 Cb -0.14 -1.78 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 1cqg s GLN 78 CO 0.02 0.48 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.58 1cqg s PHE 79 N -0.61 3.04 0.05 0.91 0.40 0.37 -0.44 117.98 121.70 1cqg s PHE 79 Ca 0.09 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1cqg s PHE 79 Cb -0.09 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1cqg s PHE 79 CO -0.00 0.08 -0.19 -0.06 0.70 0.00 0.00 175.22 175.75 1cqg s PHE 80 N 0.06 1.68 -0.14 0.36 0.40 0.41 -1.22 117.98 119.52 1cqg s PHE 80 Ca 0.00 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1cqg s PHE 80 Cb -0.13 -0.98 0.05 0.00 0.51 0.00 0.00 43.02 42.47 1cqg s PHE 80 CO 0.03 0.10 0.35 0.21 0.70 0.00 0.00 175.22 176.60 1cqg s LYS 81 N -1.30 0.33 -1.65 0.44 2.20 0.14 -1.72 119.74 118.17 1cqg s LYS 81 Ca 0.06 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1cqg s LYS 81 Cb -0.09 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1cqg s LYS 81 CO 0.02 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1cqg n LYS 82 N 4.10 -1.74 -1.26 4.03 5.02 -1.19 0.05 118.16 127.15 1cqg n LYS 82 Ca -0.23 0.93 -0.04 0.00 -2.02 0.00 0.00 58.31 56.95 1cqg n LYS 82 Cb 0.55 -5.50 -0.02 0.00 -0.02 0.00 0.00 35.03 30.04 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 -0.80 0.63 3.16 0.72 0.00 -1.26 -5.03 105.19 102.62 1cqg n GLY 83 Ca -0.21 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.63 1.20 -0.00 1.61 -0.21 0.11 -5.11 119.66 114.62 1cqg s GLN 84 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 1cqg s GLN 84 Cb 0.00 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 1cqg s GLN 84 CO 0.00 0.32 0.98 0.21 -2.12 0.00 0.00 175.29 174.68 1cqg s LYS 85 N -0.76 4.55 0.00 2.91 2.20 -1.26 0.23 119.74 127.61 1cqg s LYS 85 Ca 0.05 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 1cqg s LYS 85 Cb -0.07 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1cqg s LYS 85 CO 0.00 -0.06 0.65 1.33 -0.36 0.00 0.00 175.35 176.92 1cqg n VAL 86 N 3.93 0.39 0.00 4.02 0.24 -0.36 -4.93 118.33 121.62 1cqg n VAL 86 Ca 0.06 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1cqg n VAL 86 Cb 0.51 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.20 1.35 3.53 7.63 0.00 -1.23 -4.96 105.19 111.31 1cqg n GLY 87 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 0.89 -0.03 1.61 2.12 -1.26 -0.48 118.70 119.54 1cqg s GLU 88 Ca 0.00 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.14 1cqg s GLU 88 Cb 0.00 0.42 0.10 0.00 0.26 0.00 0.00 34.13 34.91 1cqg s GLU 88 CO 0.00 -0.30 0.88 -0.59 -0.54 0.00 0.00 175.26 174.71 1cqg s PHE 89 N -1.58 -0.38 0.24 5.30 -0.12 -0.50 -5.01 117.98 115.92 1cqg s PHE 89 Ca -0.05 0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.26 1cqg s PHE 89 Cb -0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1cqg s PHE 89 CO 0.03 -0.52 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.06 1cqg s SER 90 N -2.11 2.44 0.00 1.98 1.04 -1.26 -0.99 113.70 114.80 1cqg s SER 90 Ca 0.02 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1cqg s SER 90 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1cqg s SER 90 CO -0.06 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1cqg n GLY 91 N -0.46 3.46 2.76 7.32 0.00 -1.16 -4.89 105.19 112.23 1cqg n GLY 91 Ca -0.07 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.35 5.04 -3.95 4.61 0.00 -1.26 -4.78 120.51 119.82 1cqg n ALA 92 Ca 0.00 -3.39 -0.30 0.00 0.00 0.00 0.00 53.44 49.74 1cqg n ALA 92 Cb 0.00 -3.47 -0.14 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 3.64 4.35 0.35 0.00 3.04 -1.26 -4.96 114.94 120.10 1cqg s ASN 93 Ca 0.53 -2.91 0.09 0.00 0.04 0.00 0.00 52.86 50.61 1cqg s ASN 93 Cb 0.14 -1.63 0.66 0.00 -1.54 0.00 0.00 41.25 38.89 1cqg s ASN 93 CO -0.01 -0.25 1.83 0.07 -3.04 0.00 0.00 177.10 175.69 1cqg h LYS 94 N 6.63 0.19 0.00 0.43 -0.00 -1.93 -2.62 116.57 119.26 1cqg h LYS 94 Ca -0.07 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.65 60.46 1cqg h LYS 94 Cb 0.91 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.11 1cqg h LYS 94 CO 0.67 0.45 -0.26 0.93 -0.00 0.00 0.00 179.45 181.24 1cqg h GLU 95 N 0.17 0.00 -0.57 0.07 4.39 -2.00 -2.32 114.58 114.32 1cqg h GLU 95 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1cqg h GLU 95 Cb 0.58 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1cqg h GLU 95 CO 0.04 0.26 0.36 -0.22 -1.16 0.00 0.00 179.01 178.29 1cqg h LYS 96 N 0.00 0.76 -0.95 2.33 3.64 -1.89 -1.16 116.57 119.30 1cqg h LYS 96 Ca -0.00 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1cqg h LYS 96 Cb 0.46 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1cqg h LYS 96 CO 0.03 0.52 0.62 -0.07 -2.27 0.00 0.00 179.45 178.28 1cqg h LEU 97 N 0.78 1.00 -0.57 5.20 3.38 -1.51 -2.16 115.31 121.44 1cqg h LEU 97 Ca 0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1cqg h LEU 97 Cb -0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1cqg h LEU 97 CO -0.04 0.66 0.30 -0.08 0.09 0.00 0.00 178.44 179.37 1cqg h GLU 98 N 1.15 0.80 -0.32 1.13 4.81 -1.29 -2.02 114.58 118.84 1cqg h GLU 98 Ca 0.39 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1cqg h GLU 98 Cb 0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1cqg h GLU 98 CO -0.13 0.62 -0.16 0.00 -0.73 0.00 0.00 179.01 178.61 1cqg h ALA 99 N 1.13 0.45 -0.68 2.92 0.00 -1.33 -2.66 119.26 119.10 1cqg h ALA 99 Ca 0.20 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 99 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1cqg h ALA 99 CO -0.03 0.37 0.15 1.15 0.00 0.00 0.00 179.25 180.89 1cqg h THR 100 N 0.45 1.26 -0.16 0.00 2.02 -1.31 -0.27 112.91 114.89 1cqg h THR 100 Ca 0.07 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1cqg h THR 100 Cb 0.69 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1cqg h THR 100 CO 0.05 0.37 0.10 0.40 0.37 0.00 0.00 175.52 176.81 1cqg h ILE 101 N 1.04 1.06 -0.71 3.11 2.04 -1.33 0.61 117.51 123.32 1cqg h ILE 101 Ca 0.21 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.96 1cqg h ILE 101 Cb 0.38 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1cqg h ILE 101 CO 0.00 0.05 0.47 -1.13 0.00 0.00 0.00 178.15 177.55 1cqg h ASN 102 N 0.20 0.82 -0.44 1.72 -0.73 -1.21 1.02 115.58 116.96 1cqg h ASN 102 Ca 0.06 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 1cqg h ASN 102 Cb 0.00 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.37 1cqg h ASN 102 CO -0.01 0.59 -0.15 -0.08 -0.37 0.00 0.00 177.43 177.41 1cqg h GLU 103 N 0.96 0.92 -0.02 6.67 4.22 -0.02 -3.14 114.58 124.18 1cqg h GLU 103 Ca 0.26 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1cqg h GLU 103 Cb -0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1cqg h GLU 103 CO -0.06 1.00 -0.29 1.28 -2.18 0.00 0.00 179.01 178.77 1cqg n LEU 104 N -4.13 2.42 0.00 1.64 4.77 0.11 -5.09 117.00 116.71 1cqg n LEU 104 Ca 0.01 -0.86 0.04 0.00 -0.03 0.00 0.00 56.01 55.17 1cqg n LEU 104 Cb 0.41 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.74 1cqg n LEU 104 CO 0.45 0.43 0.46 0.55 -1.33 0.00 0.00 177.39 177.95