#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 5.43 -0.07 2.03 1.01 -1.26 -3.85 120.40 123.69 1cqg s VAL 2 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1cqg s VAL 2 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1cqg s VAL 2 CO 0.00 0.59 -0.09 -0.75 0.00 0.00 0.00 175.10 174.85 1cqg s LYS 3 N -0.87 1.40 -0.23 2.72 2.20 -1.13 -5.06 119.74 118.77 1cqg s LYS 3 Ca 0.16 -0.28 -0.16 0.00 -0.36 0.00 0.00 55.97 55.33 1cqg s LYS 3 Cb -0.13 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 1cqg s LYS 3 CO 0.05 -0.07 0.40 -1.14 -0.36 0.00 0.00 175.35 174.23 1cqg s GLN 4 N 0.98 4.12 -0.33 4.03 0.74 -1.26 -2.08 119.66 125.86 1cqg s GLN 4 Ca -0.09 0.16 -0.13 0.00 0.05 0.00 0.00 55.36 55.35 1cqg s GLN 4 Cb -0.15 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1cqg s GLN 4 CO 0.00 -0.14 0.23 0.42 -0.55 0.00 0.00 175.29 175.26 1cqg s ILE 5 N 1.63 5.29 -2.76 -2.34 -1.09 -0.91 -4.92 121.20 116.09 1cqg s ILE 5 Ca 0.18 -0.11 0.24 0.00 -2.23 0.00 0.00 60.65 58.73 1cqg s ILE 5 Cb -0.15 -3.68 0.16 0.00 -1.58 0.00 0.00 42.46 37.22 1cqg s ILE 5 CO 0.08 0.05 1.25 -0.62 -1.23 0.00 0.00 174.94 174.47 1cqg n GLU 6 N 5.11 2.05 -3.58 2.79 4.71 -1.26 -4.40 120.64 126.05 1cqg n GLU 6 Ca -0.13 -1.68 -0.13 0.00 -0.01 0.00 0.00 57.16 55.22 1cqg n GLU 6 Cb 0.50 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.42 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 -2.11 -0.39 0.42 1.62 1.04 -1.26 -4.46 113.70 108.56 1cqg s SER 7 Ca 0.26 0.02 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1cqg s SER 7 Cb 0.20 0.49 0.90 0.00 0.10 0.00 0.00 66.02 67.70 1cqg s SER 7 CO 0.36 -0.77 1.97 0.50 0.98 0.00 0.00 173.24 176.28 1cqg h LYS 8 N 2.63 0.17 -0.27 4.02 3.64 -1.92 -1.48 116.57 123.37 1cqg h LYS 8 Ca -0.32 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1cqg h LYS 8 Cb 1.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1cqg h LYS 8 CO 0.42 0.28 0.16 1.15 -2.27 0.00 0.00 179.45 179.20 1cqg h THR 9 N 0.17 1.04 -0.03 1.00 2.02 -1.98 -0.91 112.91 114.23 1cqg h THR 9 Ca 0.04 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1cqg h THR 9 Cb 0.29 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1cqg h THR 9 CO 0.02 0.06 -0.39 0.00 0.37 0.00 0.00 175.52 175.58 1cqg h ALA 10 N 1.11 1.31 -0.87 6.16 0.00 -1.82 -2.75 119.26 122.40 1cqg h ALA 10 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1cqg h ALA 10 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1cqg h ALA 10 CO -0.04 0.51 0.57 0.35 0.00 0.00 0.00 179.25 180.64 1cqg h PHE 11 N 0.04 1.08 -0.47 0.00 3.57 -0.18 0.23 116.94 121.22 1cqg h PHE 11 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1cqg h PHE 11 Cb 0.71 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1cqg h PHE 11 CO 0.00 0.67 -0.05 1.96 -2.23 0.00 0.00 178.31 178.67 1cqg h GLN 12 N 1.16 0.87 -0.65 1.11 1.08 -1.03 -1.91 115.11 115.75 1cqg h GLN 12 Ca 0.32 -0.30 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1cqg h GLN 12 Cb -0.12 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1cqg h GLN 12 CO -0.08 0.93 0.10 0.93 -0.95 0.00 0.00 178.83 179.77 1cqg h GLU 13 N 0.71 1.07 -0.53 1.46 3.07 -1.14 -2.36 114.58 116.87 1cqg h GLU 13 Ca 0.13 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.59 1cqg h GLU 13 Cb 0.58 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1cqg h GLU 13 CO 0.03 1.00 -0.10 0.00 -1.40 0.00 0.00 179.01 178.54 1cqg h ALA 14 N 1.03 0.83 -0.90 3.43 0.00 -0.42 -0.30 119.26 122.94 1cqg h ALA 14 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1cqg h ALA 14 Cb 0.45 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1cqg h ALA 14 CO 0.01 0.66 0.48 -0.07 0.00 0.00 0.00 179.25 180.34 1cqg h LEU 15 N 0.88 1.13 -0.67 0.00 3.38 -1.14 -1.21 115.31 117.68 1cqg h LEU 15 Ca 0.14 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1cqg h LEU 15 Cb 0.64 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1cqg h LEU 15 CO 0.04 0.91 -0.45 -0.78 0.09 0.00 0.00 178.44 178.25 1cqg h ASP 16 N 1.26 0.54 -0.18 -0.43 3.58 -1.08 -3.03 116.42 117.07 1cqg h ASP 16 Ca 0.31 -0.25 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 1cqg h ASP 16 Cb 0.04 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1cqg h ASP 16 CO -0.05 0.91 -0.28 0.00 -2.88 0.00 0.00 179.24 176.95 1cqg h ALA 17 N 1.11 0.92 -0.24 -0.78 0.00 -0.38 -2.78 119.26 117.10 1cqg h ALA 17 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1cqg h ALA 17 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1cqg h ALA 17 CO 0.08 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 1cqg h ALA 18 N 1.13 1.51 -0.60 0.00 0.00 -1.13 -3.47 119.26 116.69 1cqg h ALA 18 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cqg h ALA 18 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 18 CO 0.06 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1cqg n GLY 19 N -0.99 2.64 0.53 0.00 0.00 -1.05 -2.09 105.19 104.22 1cqg n GLY 19 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 6.67 1.61 -4.80 1.61 8.00 -1.26 -3.00 116.55 125.38 1cqg n ASP 20 Ca 0.00 -1.61 -0.34 0.00 0.71 0.00 0.00 54.79 53.55 1cqg n ASP 20 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.89 3.82 0.79 -1.24 1.02 -0.89 -4.73 119.74 116.62 1cqg s LYS 21 Ca 0.35 1.35 -0.14 0.00 0.02 0.00 0.00 55.97 57.55 1cqg s LYS 21 Cb 0.19 -2.10 0.07 0.00 -0.52 0.00 0.00 37.83 35.47 1cqg s LYS 21 CO 0.30 -0.42 1.19 -0.11 -0.92 0.00 0.00 175.35 175.39 1cqg n LEU 22 N -0.96 4.47 -3.56 3.17 0.00 -1.26 -4.54 117.00 114.32 1cqg n LEU 22 Ca 0.09 0.61 -0.22 0.00 0.00 0.00 0.00 56.01 56.49 1cqg n LEU 22 Cb 0.53 -1.50 -0.15 0.00 0.00 0.00 0.00 43.42 42.29 1cqg n LEU 22 CO 0.40 -1.67 -0.27 -0.69 0.00 0.00 0.00 177.39 175.15 1cqg s VAL 23 N -2.04 -0.20 -0.03 1.96 1.01 -0.71 -1.90 120.40 118.50 1cqg s VAL 23 Ca 0.74 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 1cqg s VAL 23 Cb -0.30 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1cqg s VAL 23 CO 0.50 -0.23 0.26 -0.69 0.00 0.00 0.00 175.10 174.94 1cqg s VAL 24 N 2.23 5.30 -0.12 2.92 1.01 -0.49 -0.43 120.40 130.82 1cqg s VAL 24 Ca 0.04 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1cqg s VAL 24 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1cqg s VAL 24 CO -0.10 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 1cqg s VAL 25 N -1.19 1.58 -0.29 2.92 1.01 0.11 -0.12 120.40 124.41 1cqg s VAL 25 Ca 0.24 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1cqg s VAL 25 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1cqg s VAL 25 CO 0.12 0.46 0.17 -0.62 0.00 0.00 0.00 175.10 175.23 1cqg s ASP 26 N 1.03 5.77 -0.22 3.32 2.15 -0.13 -1.12 116.67 127.48 1cqg s ASP 26 Ca -0.05 -0.23 0.10 0.00 0.43 0.00 0.00 52.55 52.79 1cqg s ASP 26 Cb -0.15 -2.06 0.64 0.00 -0.30 0.00 0.00 42.92 41.04 1cqg s ASP 26 CO -0.03 -0.11 1.53 0.49 -0.17 0.00 0.00 175.17 176.88 1cqg n PHE 27 N 5.03 1.79 -1.68 -5.34 3.72 -0.27 0.62 117.46 121.33 1cqg n PHE 27 Ca -0.14 -0.74 -0.38 0.00 -0.05 0.00 0.00 57.45 56.14 1cqg n PHE 27 Cb 0.51 -0.49 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.29 1.64 -4.67 4.37 7.64 -1.24 -4.30 113.62 117.36 1cqg n SER 28 Ca 0.26 0.87 -0.41 0.00 1.01 0.00 0.00 58.87 60.60 1cqg n SER 28 Cb 1.08 -1.48 -0.05 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 -1.41 3.52 0.33 -0.43 0.00 -1.26 -4.12 121.76 118.40 1cqg s ALA 29 Ca 0.76 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.69 1cqg s ALA 29 Cb -0.41 -3.08 0.59 0.00 0.00 0.00 0.00 23.12 20.22 1cqg s ALA 29 CO 0.46 -0.57 1.77 0.00 0.00 0.00 0.00 175.76 177.42 1cqg h THR 30 N 5.16 1.28 0.00 0.00 1.03 -1.92 -2.36 112.91 116.11 1cqg h THR 30 Ca -0.31 -1.36 -0.05 0.00 -0.01 0.00 0.00 66.41 64.68 1cqg h THR 30 Cb 1.14 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.86 1cqg h THR 30 CO 0.80 0.40 -0.24 4.11 -0.01 0.00 0.00 175.52 180.58 1cqg h TRP 31 N 0.12 0.00 -3.32 0.00 5.08 -2.02 -3.42 115.95 112.40 1cqg h TRP 31 Ca 0.01 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.39 1cqg h TRP 31 Cb 0.71 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.78 1cqg h TRP 31 CO 0.01 0.24 0.47 0.00 -1.28 0.00 0.00 178.44 177.87 1cqg h GLY 33 N 9.27 -0.45 0.40 0.00 0.00 -1.83 -0.55 103.07 109.89 1cqg h GLY 33 Ca -0.23 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.43 1cqg h GLY 33 CO 0.88 -0.16 0.59 -2.55 0.00 0.00 0.00 176.54 175.29 1cqg h PRO 34 N -0.45 0.62 0.10 4.80 0.11 -1.93 0.33 132.00 135.57 1cqg h PRO 34 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1cqg h PRO 34 Cb 0.34 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1cqg h PRO 34 CO 0.07 0.41 -0.05 0.00 -0.21 0.00 0.00 178.00 178.23 1cqg h ALA 35 N 1.61 -0.13 -0.69 -0.75 0.00 -1.76 -3.16 119.26 114.38 1cqg h ALA 35 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cqg h ALA 35 Cb 0.86 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1cqg h ALA 35 CO -0.23 -0.17 0.45 -0.22 0.00 0.00 0.00 179.25 179.08 1cqg h LYS 36 N -0.93 0.89 -0.09 0.00 3.64 -0.85 -1.61 116.57 117.63 1cqg h LYS 36 Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1cqg h LYS 36 Cb 0.53 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1cqg h LYS 36 CO 0.02 0.59 0.06 1.98 -2.27 0.00 0.00 179.45 179.83 1cqg h MET 37 N 0.92 0.00 -0.01 1.90 4.05 -0.42 -0.10 114.93 121.26 1cqg h MET 37 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1cqg h MET 37 Cb -0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1cqg h MET 37 CO -0.06 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.19 1cqg n ILE 38 N -4.47 0.01 0.20 1.77 5.41 -0.61 -4.11 119.36 117.56 1cqg n ILE 38 Ca -0.01 -0.10 0.04 0.00 1.00 0.00 0.00 62.75 63.68 1cqg n ILE 38 Cb 0.17 -0.10 0.40 0.00 -0.71 0.00 0.00 39.64 39.41 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 0.91 0.00 -0.99 0.38 2.10 -1.03 -3.27 116.57 114.66 1cqg h LYS 39 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 1cqg h LYS 39 Cb 0.19 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.43 1cqg h LYS 39 CO 0.00 0.34 0.62 -1.35 -2.00 0.00 0.00 179.45 177.06 1cqg h PRO 40 N 0.00 0.83 -0.21 0.07 0.11 -1.79 0.48 132.00 131.50 1cqg h PRO 40 Ca -0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1cqg h PRO 40 Cb 0.66 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1cqg h PRO 40 CO 0.04 0.55 -0.15 0.74 -0.21 0.00 0.00 178.00 178.97 1cqg h PHE 41 N 0.86 0.55 0.30 0.65 -1.00 -1.89 1.01 116.94 117.42 1cqg h PHE 41 Ca 0.53 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 61.14 1cqg h PHE 41 Cb 0.71 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1cqg h PHE 41 CO -0.00 0.79 -0.14 0.35 -1.61 0.00 0.00 178.31 177.69 1cqg h PHE 42 N 0.16 -0.37 -0.26 -0.55 3.57 -1.35 0.01 116.94 118.14 1cqg h PHE 42 Ca 0.04 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1cqg h PHE 42 Cb 0.67 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1cqg h PHE 42 CO 0.07 -0.22 -0.16 1.25 -2.23 0.00 0.00 178.31 177.02 1cqg h HIS 43 N -0.41 0.66 -0.94 0.41 2.76 -0.10 -3.19 115.15 114.33 1cqg h HIS 43 Ca -0.04 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 57.95 1cqg h HIS 43 Cb 0.32 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1cqg h HIS 43 CO -0.05 0.84 0.58 0.77 -1.30 0.00 0.00 177.93 178.77 1cqg h SER 44 N 0.30 1.12 0.44 3.26 0.02 0.12 -2.22 113.55 116.59 1cqg h SER 44 Ca 0.05 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cqg h SER 44 Cb 0.68 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1cqg h SER 44 CO 0.04 0.84 0.00 -0.07 -1.14 0.00 0.00 176.83 176.51 1cqg h LEU 45 N 1.29 0.00 -1.02 5.07 3.38 -0.98 -2.89 115.31 120.17 1cqg h LEU 45 Ca 0.34 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.53 1cqg h LEU 45 Cb -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 1cqg h LEU 45 CO -0.07 0.00 0.61 0.28 0.09 0.00 0.00 178.44 179.35 1cqg h SER 46 N 0.00 0.72 1.07 -0.43 0.02 -1.43 1.05 113.55 114.55 1cqg h SER 46 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1cqg h SER 46 Cb 0.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1cqg h SER 46 CO 0.00 0.19 -0.31 -0.62 -1.14 0.00 0.00 176.83 174.95 1cqg n GLU 47 N -4.82 0.22 0.07 3.45 -0.58 -1.09 -2.70 120.64 115.20 1cqg n GLU 47 Ca 0.25 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.96 1cqg n GLU 47 Cb 0.67 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 1cqg n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1cqg h LYS 48 N 0.00 0.43 -2.14 3.49 1.63 0.95 -3.34 116.57 117.59 1cqg h LYS 48 Ca 0.00 -0.49 -0.58 0.00 -0.85 0.00 0.00 60.65 58.72 1cqg h LYS 48 Cb 0.69 0.15 -0.41 0.00 -0.60 0.00 0.00 32.23 32.06 1cqg h LYS 48 CO 0.00 1.15 -0.75 0.66 -3.45 0.00 0.00 179.45 177.06 1cqg n TYR 49 N -3.74 2.54 0.26 1.91 4.01 0.03 -4.88 117.16 117.29 1cqg n TYR 49 Ca -0.08 -3.98 0.03 0.00 -0.16 0.00 0.00 57.90 53.71 1cqg n TYR 49 Cb 0.87 -0.50 0.15 0.00 -0.31 0.00 0.00 39.34 39.55 1cqg n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cqg n SER 50 N 0.88 0.00 -0.77 7.72 3.41 -1.10 -0.09 113.62 123.67 1cqg n SER 50 Ca 0.28 0.35 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1cqg n SER 50 Cb 0.45 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.22 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 -4.15 4.04 5.15 -1.26 -4.66 115.26 115.22 1cqg n ASN 51 Ca 0.02 -1.96 -0.23 0.00 -0.60 0.00 0.00 54.58 51.82 1cqg n ASN 51 Cb 0.06 -0.26 -0.15 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 -1.48 1.26 -0.27 3.44 1.01 0.87 -4.37 120.40 120.85 1cqg s VAL 52 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1cqg s VAL 52 Cb 0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1cqg s VAL 52 CO 0.21 0.26 0.20 -0.63 0.00 0.00 0.00 175.10 175.13 1cqg s ILE 53 N -0.52 5.31 -0.21 2.22 -1.09 -0.80 -4.57 121.20 121.54 1cqg s ILE 53 Ca 0.05 0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.59 1cqg s ILE 53 Cb -0.07 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1cqg s ILE 53 CO 0.00 0.27 0.12 -0.36 -1.23 0.00 0.00 174.94 173.75 1cqg s PHE 54 N 1.57 3.32 -0.05 3.97 0.40 -1.25 -1.40 117.98 124.53 1cqg s PHE 54 Ca 0.08 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1cqg s PHE 54 Cb -0.15 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1cqg s PHE 54 CO 0.09 0.14 -0.05 -0.51 0.70 0.00 0.00 175.22 175.58 1cqg s LEU 55 N 0.70 3.25 -0.14 -0.37 1.02 0.82 -2.84 118.68 121.12 1cqg s LEU 55 Ca 0.07 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 1cqg s LEU 55 Cb -0.13 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1cqg s LEU 55 CO 0.01 0.35 -0.05 -0.70 0.02 0.00 0.00 176.35 175.98 1cqg s GLU 56 N -0.97 3.54 -0.05 1.70 2.12 -0.88 -0.96 118.70 123.19 1cqg s GLU 56 Ca 0.14 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 54.96 1cqg s GLU 56 Cb -0.11 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.43 1cqg s GLU 56 CO 0.03 0.30 -0.13 0.08 -0.54 0.00 0.00 175.26 175.00 1cqg s VAL 57 N 0.20 1.14 -0.27 3.70 1.01 0.20 -2.15 120.40 124.24 1cqg s VAL 57 Ca -0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1cqg s VAL 57 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1cqg s VAL 57 CO 0.03 0.35 0.36 -0.62 0.00 0.00 0.00 175.10 175.22 1cqg s ASP 58 N 0.46 6.24 0.52 3.32 2.15 -1.26 -3.60 116.67 124.50 1cqg s ASP 58 Ca -0.11 0.27 0.34 0.00 0.43 0.00 0.00 52.55 53.48 1cqg s ASP 58 Cb -0.14 -2.20 1.51 0.00 -0.30 0.00 0.00 42.92 41.79 1cqg s ASP 58 CO 0.03 -0.17 2.01 -0.37 -0.17 0.00 0.00 175.17 176.50 1cqg h VAL 59 N 5.38 0.00 0.06 1.11 -1.51 -1.75 1.22 116.25 120.75 1cqg h VAL 59 Ca -0.32 -0.36 -0.34 0.00 -1.23 0.00 0.00 66.70 64.45 1cqg h VAL 59 Cb 1.16 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 31.59 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 -2.93 2.01 0.03 4.19 9.92 -1.26 -2.83 116.55 125.67 1cqg n ASP 60 Ca 0.00 0.24 0.11 0.00 -0.53 0.00 0.00 54.79 54.61 1cqg n ASP 60 Cb 0.24 -0.83 0.01 0.00 -0.64 0.00 0.00 41.12 39.90 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 -3.83 0.60 -2.02 -2.24 8.00 -1.19 -4.07 116.55 111.79 1cqg n ASP 61 Ca -0.37 -0.18 -0.17 0.00 0.71 0.00 0.00 54.79 54.79 1cqg n ASP 61 Cb 0.91 0.84 0.04 0.00 -0.02 0.00 0.00 41.12 42.89 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 4.43 0.29 2.24 0.00 0.42 -4.76 120.51 121.25 1cqg n ALA 62 Ca 0.01 -3.54 0.13 0.00 0.00 0.00 0.00 53.44 50.05 1cqg n ALA 62 Cb 0.45 -0.43 0.84 0.00 0.00 0.00 0.00 19.45 20.31 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 2.12 0.00 -0.59 0.00 3.07 -1.40 -1.27 115.11 117.04 1cqg h GLN 63 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.92 1cqg h GLN 63 Cb 1.45 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.99 1cqg h GLN 63 CO 0.58 0.00 0.14 0.38 0.09 0.00 0.00 178.83 180.02 1cqg h ASP 64 N 0.00 0.87 -0.20 0.06 3.04 -1.87 0.48 116.42 118.79 1cqg h ASP 64 Ca -0.00 -0.17 -0.10 0.00 -3.24 0.00 0.00 57.03 53.52 1cqg h ASP 64 Cb 0.01 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.07 1cqg h ASP 64 CO 0.00 0.85 -0.26 0.58 -2.04 0.00 0.00 179.24 178.37 1cqg h VAL 65 N 0.89 1.33 -0.38 4.15 2.07 -1.57 -2.74 116.25 120.00 1cqg h VAL 65 Ca 0.19 -1.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.11 1cqg h VAL 65 Cb 0.33 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1cqg h VAL 65 CO 0.00 0.44 -0.38 0.00 0.02 0.00 0.00 177.57 177.66 1cqg h ALA 66 N 0.63 0.55 -0.34 1.67 0.00 -1.20 -2.93 119.26 117.65 1cqg h ALA 66 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cqg h ALA 66 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1cqg h ALA 66 CO 0.06 0.65 0.16 0.66 0.00 0.00 0.00 179.25 180.78 1cqg h SER 67 N 0.73 0.41 -0.94 0.00 4.64 -0.06 0.01 113.55 118.34 1cqg h SER 67 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1cqg h SER 67 Cb 0.97 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1cqg h SER 67 CO 0.09 0.36 0.60 -0.08 -0.87 0.00 0.00 176.83 176.93 1cqg h GLU 68 N 0.47 1.26 -0.01 4.77 4.81 -1.29 -1.48 114.58 123.11 1cqg h GLU 68 Ca 0.12 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1cqg h GLU 68 Cb 0.05 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1cqg h GLU 68 CO -0.02 0.85 -0.07 0.00 -0.73 0.00 0.00 179.01 179.04 1cqg n ALA 69 N -2.39 2.72 -3.62 2.92 0.00 -0.46 -4.95 120.51 114.72 1cqg n ALA 69 Ca 0.11 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1cqg n ALA 69 Cb 0.03 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.09 -5.41 -1.79 0.00 -0.58 -0.14 -4.84 120.64 107.79 1cqg n GLU 70 Ca 0.17 0.69 -0.42 0.00 -0.42 0.00 0.00 57.16 57.18 1cqg n GLU 70 Cb 0.35 -5.38 -0.03 0.00 -0.57 0.00 0.00 31.44 25.81 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 -3.58 2.32 -0.85 2.62 1.01 -1.09 -4.86 120.40 115.97 1cqg s VAL 71 Ca 0.01 0.16 0.20 0.00 0.00 0.00 0.00 61.98 62.34 1cqg s VAL 71 Cb -0.00 -3.10 -0.22 0.00 0.00 0.00 0.00 36.38 33.05 1cqg s VAL 71 CO 0.79 0.01 0.80 0.29 0.00 0.00 0.00 175.10 176.99 1cqg n LYS 72 N 4.37 0.48 -3.49 2.72 4.76 -1.26 -5.00 118.16 120.73 1cqg n LYS 72 Ca 0.16 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 1cqg n LYS 72 Cb 0.37 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.92 -1.76 0.12 7.82 0.00 -1.26 -5.17 121.76 118.58 1cqg s ALA 73 Ca 0.06 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.11 1cqg s ALA 73 Cb 0.15 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1cqg s ALA 73 CO 0.82 -0.57 -0.14 0.95 0.00 0.00 0.00 175.76 176.81 1cqg s THR 74 N -2.52 1.34 0.31 0.00 -4.23 -1.26 -4.08 115.64 105.19 1cqg s THR 74 Ca -0.01 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.54 1cqg s THR 74 Cb -0.01 -1.50 -0.09 0.00 1.34 0.00 0.00 72.50 72.24 1cqg s THR 74 CO -0.04 -0.38 1.06 -2.16 -0.54 0.00 0.00 174.62 172.56 1cqg s PRO 75 N -2.56 4.55 -0.06 3.99 0.04 -1.26 -4.91 135.00 134.79 1cqg s PRO 75 Ca 0.08 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1cqg s PRO 75 Cb -0.06 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1cqg s PRO 75 CO 0.03 0.17 -0.13 0.99 0.04 0.00 0.00 177.00 178.10 1cqg s THR 76 N -1.30 1.14 -0.15 1.26 2.01 -1.26 -2.90 115.64 114.43 1cqg s THR 76 Ca 0.47 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1cqg s THR 76 Cb -0.28 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1cqg s THR 76 CO 0.36 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.24 1cqg s PHE 77 N 0.50 3.04 -0.01 4.92 0.08 -0.53 -1.12 117.98 124.86 1cqg s PHE 77 Ca -0.11 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1cqg s PHE 77 Cb -0.14 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1cqg s PHE 77 CO 0.03 0.00 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.28 1cqg s GLN 78 N 0.27 1.79 -0.11 0.44 -0.21 -0.28 -1.75 119.66 119.81 1cqg s GLN 78 Ca -0.03 -0.82 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 1cqg s GLN 78 Cb -0.14 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1cqg s GLN 78 CO 0.03 0.48 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.60 1cqg s PHE 79 N -0.55 3.10 0.08 0.91 0.40 0.51 0.09 117.98 122.52 1cqg s PHE 79 Ca 0.09 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 1cqg s PHE 79 Cb -0.09 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1cqg s PHE 79 CO -0.01 0.27 -0.18 -0.06 0.70 0.00 0.00 175.22 175.94 1cqg s PHE 80 N -0.38 1.58 -0.11 0.36 0.40 0.43 -1.99 117.98 118.25 1cqg s PHE 80 Ca 0.07 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1cqg s PHE 80 Cb -0.12 -0.88 0.06 0.00 0.51 0.00 0.00 43.02 42.59 1cqg s PHE 80 CO 0.02 0.14 0.23 0.21 0.70 0.00 0.00 175.22 176.52 1cqg s LYS 81 N -1.73 0.11 -1.72 0.44 2.20 0.21 -1.73 119.74 117.53 1cqg s LYS 81 Ca 0.04 0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 56.32 1cqg s LYS 81 Cb -0.10 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1cqg s LYS 81 CO 0.03 -0.29 0.09 1.63 -0.36 0.00 0.00 175.35 176.45 1cqg n LYS 82 N 5.29 -2.17 -1.07 4.03 5.02 -1.16 0.11 118.16 128.22 1cqg n LYS 82 Ca -0.07 0.98 -0.02 0.00 -2.02 0.00 0.00 58.31 57.18 1cqg n LYS 82 Cb 0.50 -5.67 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 1cqg n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cqg n GLY 83 N -1.08 0.57 3.38 0.72 0.00 -1.26 -5.02 105.19 102.50 1cqg n GLY 83 Ca -0.22 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.51 3.22 -0.20 1.61 -1.52 0.12 -5.09 119.66 116.28 1cqg s GLN 84 Ca 0.00 -0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 52.42 1cqg s GLN 84 Cb 0.00 -2.56 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 1cqg s GLN 84 CO 0.00 0.28 1.14 0.21 -0.25 0.00 0.00 175.29 176.67 1cqg s LYS 85 N 0.17 4.25 -0.03 2.91 2.20 -1.26 0.67 119.74 128.66 1cqg s LYS 85 Ca -0.08 1.49 0.04 0.00 -0.36 0.00 0.00 55.97 57.06 1cqg s LYS 85 Cb -0.15 -3.69 0.06 0.00 -1.51 0.00 0.00 37.83 32.54 1cqg s LYS 85 CO 0.05 -0.66 0.98 1.33 -0.36 0.00 0.00 175.35 176.69 1cqg n VAL 86 N 5.33 1.04 0.00 4.02 0.24 -0.84 -4.96 118.33 123.16 1cqg n VAL 86 Ca 0.13 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1cqg n VAL 86 Cb 0.46 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.63 1.07 3.55 7.63 0.00 -1.24 -4.98 105.19 110.59 1cqg n GLY 87 Ca 0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 0.82 0.07 1.61 -6.30 -1.26 -0.36 118.70 111.28 1cqg s GLU 88 Ca 0.00 0.23 -0.26 0.00 -2.50 0.00 0.00 54.97 52.44 1cqg s GLU 88 Cb 0.00 0.39 0.09 0.00 0.00 0.00 0.00 34.13 34.61 1cqg s GLU 88 CO 0.00 -0.25 0.76 -0.59 0.02 0.00 0.00 175.26 175.20 1cqg s PHE 89 N -1.09 -0.43 0.23 5.30 -0.12 -0.72 -5.02 117.98 116.14 1cqg s PHE 89 Ca -0.06 0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.15 1cqg s PHE 89 Cb -0.00 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1cqg s PHE 89 CO 0.05 -0.68 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.89 1cqg s SER 90 N -2.60 2.64 0.00 1.98 1.04 -1.26 -1.45 113.70 114.05 1cqg s SER 90 Ca 0.03 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1cqg s SER 90 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cqg s SER 90 CO -0.11 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1cqg n GLY 91 N -0.45 3.74 2.72 7.32 0.00 -1.14 -4.90 105.19 112.48 1cqg n GLY 91 Ca -0.07 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.39 5.22 -3.98 4.61 0.00 -1.26 -4.78 120.51 119.93 1cqg n ALA 92 Ca 0.00 -3.35 -0.30 0.00 0.00 0.00 0.00 53.44 49.78 1cqg n ALA 92 Cb 0.00 -3.45 -0.14 0.00 0.00 0.00 0.00 19.45 15.86 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 3.51 4.50 0.35 0.00 3.04 -1.26 -4.96 114.94 120.11 1cqg s ASN 93 Ca 0.53 -2.65 0.09 0.00 0.04 0.00 0.00 52.86 50.87 1cqg s ASN 93 Cb 0.14 -1.63 0.65 0.00 -1.54 0.00 0.00 41.25 38.88 1cqg s ASN 93 CO -0.02 -0.29 1.82 0.07 -3.04 0.00 0.00 177.10 175.63 1cqg h LYS 94 N 6.97 0.17 -0.02 0.43 -0.00 -1.93 -2.68 116.57 119.50 1cqg h LYS 94 Ca -0.06 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.65 60.46 1cqg h LYS 94 Cb 0.95 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 1cqg h LYS 94 CO 0.62 0.46 -0.29 0.93 -0.00 0.00 0.00 179.45 181.17 1cqg h GLU 95 N 0.16 0.04 -0.44 0.07 4.39 -2.00 -2.49 114.58 114.31 1cqg h GLU 95 Ca 0.02 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1cqg h GLU 95 Cb 0.60 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1cqg h GLU 95 CO 0.04 0.33 0.29 -0.22 -1.16 0.00 0.00 179.01 178.29 1cqg h LYS 96 N 0.04 0.57 -0.92 2.33 3.64 -1.90 -0.99 116.57 119.34 1cqg h LYS 96 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1cqg h LYS 96 Cb 0.53 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1cqg h LYS 96 CO 0.04 0.38 0.61 -0.07 -2.27 0.00 0.00 179.45 178.14 1cqg h LEU 97 N 0.59 1.04 -0.50 5.20 3.38 -1.54 -1.35 115.31 122.14 1cqg h LEU 97 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1cqg h LEU 97 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1cqg h LEU 97 CO -0.04 0.74 0.24 -0.08 0.09 0.00 0.00 178.44 179.39 1cqg h GLU 98 N 1.22 0.72 -0.23 1.13 4.81 -1.27 -1.08 114.58 119.88 1cqg h GLU 98 Ca 0.35 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1cqg h GLU 98 Cb -0.09 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1cqg h GLU 98 CO -0.09 0.60 -0.32 0.00 -0.73 0.00 0.00 179.01 178.48 1cqg h ALA 99 N 1.08 0.34 -0.69 2.92 0.00 -1.30 -1.66 119.26 119.95 1cqg h ALA 99 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1cqg h ALA 99 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1cqg h ALA 99 CO -0.02 0.38 0.17 1.15 0.00 0.00 0.00 179.25 180.93 1cqg h THR 100 N 0.31 1.26 -0.36 0.00 2.02 -1.18 0.49 112.91 115.44 1cqg h THR 100 Ca 0.02 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 1cqg h THR 100 Cb 0.90 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1cqg h THR 100 CO 0.07 0.37 0.21 0.40 0.37 0.00 0.00 175.52 176.94 1cqg h ILE 101 N 1.04 1.13 -0.57 3.11 2.04 -1.18 0.14 117.51 123.23 1cqg h ILE 101 Ca 0.22 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1cqg h ILE 101 Cb 0.37 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1cqg h ILE 101 CO 0.00 0.14 0.35 -1.13 0.00 0.00 0.00 178.15 177.51 1cqg h ASN 102 N 0.47 0.67 -0.46 1.72 -0.73 -0.69 0.79 115.58 117.35 1cqg h ASN 102 Ca 0.13 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.13 1cqg h ASN 102 Cb 0.04 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1cqg h ASN 102 CO -0.02 0.51 -0.26 -0.08 -0.37 0.00 0.00 177.43 177.21 1cqg h GLU 103 N 0.78 0.99 -0.03 6.67 4.22 0.15 -3.18 114.58 124.18 1cqg h GLU 103 Ca 0.21 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1cqg h GLU 103 Cb -0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1cqg h GLU 103 CO -0.04 1.12 -0.01 1.28 -2.18 0.00 0.00 179.01 179.18 1cqg n LEU 104 N -4.10 2.83 0.00 1.64 4.77 0.34 -5.08 117.00 117.40 1cqg n LEU 104 Ca -0.00 -0.94 0.05 0.00 -0.03 0.00 0.00 56.01 55.08 1cqg n LEU 104 Cb 0.48 -0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.85 1cqg n LEU 104 CO 0.47 0.47 0.51 0.55 -1.33 0.00 0.00 177.39 178.06