#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 5.29 -0.06 2.03 1.01 -1.26 -4.56 120.40 122.85 1cqg s VAL 2 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1cqg s VAL 2 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1cqg s VAL 2 CO 0.00 -0.14 -0.10 -0.75 0.00 0.00 0.00 175.10 174.11 1cqg s LYS 3 N -3.33 1.49 -0.26 2.72 2.47 -1.19 -5.06 119.74 116.59 1cqg s LYS 3 Ca 0.36 -0.34 -0.12 0.00 -1.56 0.00 0.00 55.97 54.31 1cqg s LYS 3 Cb -0.11 -1.27 -0.05 0.00 -1.46 0.00 0.00 37.83 34.95 1cqg s LYS 3 CO 0.29 0.00 0.22 -1.14 0.16 0.00 0.00 175.35 174.89 1cqg s GLN 4 N 0.71 4.02 -0.35 4.03 0.74 -1.26 -2.16 119.66 125.40 1cqg s GLN 4 Ca -0.14 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 1cqg s GLN 4 Cb -0.15 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 1cqg s GLN 4 CO 0.03 -0.10 0.25 0.42 -0.55 0.00 0.00 175.29 175.34 1cqg s ILE 5 N 1.52 5.27 -2.97 -2.34 -1.09 -1.05 -4.92 121.20 115.62 1cqg s ILE 5 Ca 0.09 -0.28 0.24 0.00 -2.23 0.00 0.00 60.65 58.48 1cqg s ILE 5 Cb -0.15 -3.74 0.19 0.00 -1.58 0.00 0.00 42.46 37.19 1cqg s ILE 5 CO 0.08 -0.05 1.27 -0.62 -1.23 0.00 0.00 174.94 174.39 1cqg n GLU 6 N 5.11 2.30 -3.62 2.79 -0.58 -1.26 -4.40 120.64 120.97 1cqg n GLU 6 Ca -0.12 -1.89 -0.12 0.00 -0.42 0.00 0.00 57.16 54.60 1cqg n GLU 6 Cb 0.49 -1.46 -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 -2.01 -0.31 0.38 1.62 1.04 -1.26 -4.44 113.70 108.72 1cqg s SER 7 Ca 0.28 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.73 1cqg s SER 7 Cb 0.20 0.46 0.77 0.00 0.10 0.00 0.00 66.02 67.56 1cqg s SER 7 CO 0.31 -0.76 1.91 0.50 0.98 0.00 0.00 173.24 176.18 1cqg h LYS 8 N 2.69 0.26 -0.38 4.02 3.64 -1.92 -1.60 116.57 123.28 1cqg h LYS 8 Ca -0.32 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1cqg h LYS 8 Cb 1.23 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1cqg h LYS 8 CO 0.44 0.39 0.13 1.15 -2.27 0.00 0.00 179.45 179.29 1cqg h THR 9 N 0.25 0.88 -0.06 1.00 2.02 -1.99 -0.03 112.91 114.98 1cqg h THR 9 Ca 0.05 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1cqg h THR 9 Cb 0.37 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1cqg h THR 9 CO 0.02 0.05 -0.47 0.00 0.37 0.00 0.00 175.52 175.49 1cqg h ALA 10 N 1.25 1.10 -0.57 6.16 0.00 -1.83 -2.70 119.26 122.67 1cqg h ALA 10 Ca 0.18 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1cqg h ALA 10 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1cqg h ALA 10 CO -0.19 0.62 0.35 0.35 0.00 0.00 0.00 179.25 180.38 1cqg h PHE 11 N 0.12 0.65 -0.56 0.00 3.57 -0.10 0.33 116.94 120.95 1cqg h PHE 11 Ca 0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1cqg h PHE 11 Cb 0.88 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1cqg h PHE 11 CO 0.01 0.37 0.14 1.96 -2.23 0.00 0.00 178.31 178.56 1cqg h GLN 12 N 0.68 0.90 -0.45 1.11 1.08 -1.05 -1.64 115.11 115.75 1cqg h GLN 12 Ca 0.23 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1cqg h GLN 12 Cb 0.02 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1cqg h GLN 12 CO -0.10 0.84 0.02 0.93 -0.95 0.00 0.00 178.83 179.57 1cqg h GLU 13 N 0.80 0.72 -0.31 1.46 4.39 -1.00 -1.74 114.58 118.91 1cqg h GLU 13 Ca 0.18 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1cqg h GLU 13 Cb 0.34 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1cqg h GLU 13 CO 0.00 0.72 -0.12 0.00 -1.16 0.00 0.00 179.01 178.45 1cqg h ALA 14 N 1.35 0.43 -1.00 3.43 0.00 0.00 0.19 119.26 123.67 1cqg h ALA 14 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1cqg h ALA 14 Cb 0.39 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1cqg h ALA 14 CO 0.01 0.31 0.65 -0.07 0.00 0.00 0.00 179.25 180.15 1cqg h LEU 15 N 0.39 1.15 -0.38 0.00 3.38 -1.05 0.27 115.31 119.07 1cqg h LEU 15 Ca 0.07 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1cqg h LEU 15 Cb 0.64 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1cqg h LEU 15 CO 0.04 0.84 -0.38 -0.78 0.09 0.00 0.00 178.44 178.25 1cqg h ASP 16 N 1.36 1.00 0.35 -0.43 3.58 -1.04 -3.12 116.42 118.12 1cqg h ASP 16 Ca 0.36 -0.47 -0.13 0.00 0.42 0.00 0.00 57.03 57.21 1cqg h ASP 16 Cb -0.14 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.61 1cqg h ASP 16 CO -0.08 1.26 -0.55 0.00 -2.88 0.00 0.00 179.24 176.99 1cqg h ALA 17 N 0.77 0.94 0.00 -0.78 0.00 0.11 -2.78 119.26 117.52 1cqg h ALA 17 Ca 0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 17 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1cqg h ALA 17 CO 0.10 0.69 -0.11 0.00 0.00 0.00 0.00 179.25 179.93 1cqg h ALA 18 N 1.26 1.44 -0.64 0.00 0.00 -0.43 -3.47 119.26 117.41 1cqg h ALA 18 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cqg h ALA 18 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cqg h ALA 18 CO 0.08 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1cqg n GLY 19 N -0.89 2.39 0.63 0.00 0.00 -1.05 -2.23 105.19 104.03 1cqg n GLY 19 Ca -0.02 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 5.39 1.92 -4.79 1.61 8.00 -1.26 -3.54 116.55 123.88 1cqg n ASP 20 Ca 0.00 -1.71 -0.35 0.00 0.71 0.00 0.00 54.79 53.45 1cqg n ASP 20 Cb 0.00 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.83 3.72 0.89 -1.24 1.02 -0.95 -4.72 119.74 116.64 1cqg s LYS 21 Ca 0.34 1.46 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 1cqg s LYS 21 Cb 0.19 -2.13 0.11 0.00 -0.52 0.00 0.00 37.83 35.48 1cqg s LYS 21 CO 0.29 -0.51 1.03 -0.11 -0.92 0.00 0.00 175.35 175.12 1cqg n LEU 22 N -0.95 2.99 -3.52 3.17 0.00 -1.26 -4.57 117.00 112.87 1cqg n LEU 22 Ca 0.09 0.46 -0.20 0.00 0.00 0.00 0.00 56.01 56.36 1cqg n LEU 22 Cb 0.52 -1.44 -0.14 0.00 0.00 0.00 0.00 43.42 42.36 1cqg n LEU 22 CO 0.41 -2.30 -0.23 -0.69 0.00 0.00 0.00 177.39 174.58 1cqg s VAL 23 N -2.44 -0.27 -0.07 1.96 1.01 -0.28 -2.08 120.40 118.22 1cqg s VAL 23 Ca 0.67 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 1cqg s VAL 23 Cb -0.25 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1cqg s VAL 23 CO 0.58 -0.24 0.20 -0.69 0.00 0.00 0.00 175.10 174.95 1cqg s VAL 24 N 2.28 5.40 -0.13 2.92 1.01 -0.70 -0.32 120.40 130.85 1cqg s VAL 24 Ca 0.06 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1cqg s VAL 24 Cb -0.16 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1cqg s VAL 24 CO -0.12 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.68 1cqg s VAL 25 N -1.11 1.61 -0.33 2.92 1.01 0.43 -0.43 120.40 124.51 1cqg s VAL 25 Ca 0.19 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1cqg s VAL 25 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1cqg s VAL 25 CO 0.09 0.46 0.26 -0.62 0.00 0.00 0.00 175.10 175.29 1cqg s ASP 26 N 1.24 6.08 -0.15 3.32 2.15 -0.18 -1.33 116.67 127.80 1cqg s ASP 26 Ca -0.00 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 52.78 1cqg s ASP 26 Cb -0.14 -2.15 0.51 0.00 -0.30 0.00 0.00 42.92 40.84 1cqg s ASP 26 CO -0.07 -0.22 1.29 0.49 -0.17 0.00 0.00 175.17 176.50 1cqg n PHE 27 N 5.16 1.33 -1.65 -5.34 3.72 0.08 0.22 117.46 120.99 1cqg n PHE 27 Ca -0.12 -0.49 -0.39 0.00 -0.05 0.00 0.00 57.45 56.39 1cqg n PHE 27 Cb 0.50 -0.37 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.35 1.49 -4.66 4.37 7.64 -1.24 -4.26 113.62 117.32 1cqg n SER 28 Ca 0.18 0.95 -0.41 0.00 1.01 0.00 0.00 58.87 60.61 1cqg n SER 28 Cb 0.86 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.36 3.56 0.44 -0.43 0.00 -1.26 -4.18 121.76 118.54 1cqg s ALA 29 Ca 0.69 -0.15 0.15 0.00 0.00 0.00 0.00 51.96 52.64 1cqg s ALA 29 Cb -0.47 -3.14 1.00 0.00 0.00 0.00 0.00 23.12 20.51 1cqg s ALA 29 CO 0.52 -0.70 1.99 0.00 0.00 0.00 0.00 175.76 177.58 1cqg h THR 30 N 5.26 1.12 0.00 0.00 1.03 -1.91 -1.15 112.91 117.27 1cqg h THR 30 Ca -0.28 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1cqg h THR 30 Cb 1.13 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1cqg h THR 30 CO 0.82 0.18 0.00 4.11 -0.01 0.00 0.00 175.52 180.62 1cqg h TRP 31 N 0.00 0.00 -3.29 0.00 5.08 -2.02 -3.43 115.95 112.29 1cqg h TRP 31 Ca -0.00 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.37 1cqg h TRP 31 Cb 0.34 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.41 1cqg h TRP 31 CO 0.00 0.00 0.49 0.00 -1.28 0.00 0.00 178.44 177.65 1cqg h GLY 33 N 9.26 -0.56 2.00 0.00 0.00 -1.84 -1.29 103.07 110.63 1cqg h GLY 33 Ca -0.23 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1cqg h GLY 33 CO 0.89 -0.20 -0.01 -0.56 0.00 0.00 0.00 176.54 176.65 1cqg h PRO 34 N -0.59 0.00 0.01 4.80 0.13 -1.95 -1.39 132.00 133.01 1cqg h PRO 34 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1cqg h PRO 34 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1cqg h PRO 34 CO 0.09 0.01 -0.22 0.00 -0.23 0.00 0.00 178.00 177.65 1cqg h ALA 35 N 1.99 0.02 -0.25 -0.56 0.00 -1.81 -3.23 119.26 115.42 1cqg h ALA 35 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cqg h ALA 35 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1cqg h ALA 35 CO 0.00 0.07 0.17 -0.22 0.00 0.00 0.00 179.25 179.27 1cqg h LYS 36 N -0.59 0.33 -0.06 0.00 3.64 -1.00 -0.54 116.57 118.34 1cqg h LYS 36 Ca -0.03 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cqg h LYS 36 Cb 1.01 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1cqg h LYS 36 CO 0.04 0.22 0.06 1.98 -2.27 0.00 0.00 179.45 179.48 1cqg h MET 37 N 0.34 0.00 -0.00 1.90 4.05 -1.27 -0.21 114.93 119.73 1cqg h MET 37 Ca 0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1cqg h MET 37 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1cqg h MET 37 CO -0.02 0.00 -0.06 -0.89 0.23 0.00 0.00 176.91 176.17 1cqg n ILE 38 N -4.07 0.00 0.24 1.77 5.41 -0.21 -4.12 119.36 118.38 1cqg n ILE 38 Ca -0.01 -0.02 0.08 0.00 1.00 0.00 0.00 62.75 63.79 1cqg n ILE 38 Cb 0.16 -0.31 0.62 0.00 -0.71 0.00 0.00 39.64 39.40 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 0.22 0.05 -0.76 0.38 2.10 -1.10 -2.93 116.57 114.53 1cqg h LYS 39 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1cqg h LYS 39 Cb 0.33 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.61 1cqg h LYS 39 CO 0.00 0.03 0.50 -1.35 -2.00 0.00 0.00 179.45 176.64 1cqg h PRO 40 N 0.05 1.00 -0.05 0.07 0.11 -1.80 0.60 132.00 131.99 1cqg h PRO 40 Ca 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1cqg h PRO 40 Cb -0.00 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1cqg h PRO 40 CO -0.00 0.66 -0.04 0.74 -0.21 0.00 0.00 178.00 179.15 1cqg h PHE 41 N 1.03 0.14 0.29 0.65 -1.00 -1.83 0.73 116.94 116.95 1cqg h PHE 41 Ca 0.28 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1cqg h PHE 41 Cb -0.12 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1cqg h PHE 41 CO -0.02 0.54 -0.14 0.35 -1.61 0.00 0.00 178.31 177.44 1cqg h PHE 42 N -0.31 -0.36 -0.49 -0.55 3.57 -1.44 -0.48 116.94 116.88 1cqg h PHE 42 Ca 0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1cqg h PHE 42 Cb 0.52 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1cqg h PHE 42 CO 0.08 -0.22 -0.17 1.25 -2.23 0.00 0.00 178.31 177.02 1cqg h HIS 43 N -0.39 1.13 -0.61 0.41 2.76 0.19 -3.10 115.15 115.53 1cqg h HIS 43 Ca -0.04 -0.26 -0.06 0.00 -2.20 0.00 0.00 60.37 57.81 1cqg h HIS 43 Cb 0.30 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1cqg h HIS 43 CO -0.06 1.08 0.14 0.77 -1.30 0.00 0.00 177.93 178.56 1cqg h SER 44 N 0.85 0.90 0.31 3.26 0.02 0.64 -2.57 113.55 116.96 1cqg h SER 44 Ca 0.12 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1cqg h SER 44 Cb 0.75 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1cqg h SER 44 CO 0.06 0.88 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.55 1cqg h LEU 45 N 0.91 0.00 -0.97 5.07 3.38 -1.00 -2.72 115.31 119.98 1cqg h LEU 45 Ca 0.19 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.31 1cqg h LEU 45 Cb 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1cqg h LEU 45 CO 0.00 0.01 0.59 0.28 0.09 0.00 0.00 178.44 179.41 1cqg h SER 46 N 0.00 0.80 1.25 -0.43 0.02 -1.48 0.35 113.55 114.07 1cqg h SER 46 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1cqg h SER 46 Cb 0.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cqg h SER 46 CO 0.00 0.36 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.31 1cqg h GLU 47 N 0.84 0.00 0.02 3.45 4.39 -1.68 -2.76 114.58 118.84 1cqg h GLU 47 Ca 0.52 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.97 1cqg h GLU 47 Cb 0.67 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1cqg h GLU 47 CO -0.33 0.00 -1.03 -0.22 -1.16 0.00 0.00 179.01 176.28 1cqg h LYS 48 N 0.00 0.55 -2.17 2.33 3.64 -0.45 -3.34 116.57 117.14 1cqg h LYS 48 Ca 0.00 -0.62 -0.59 0.00 -1.27 0.00 0.00 60.65 58.17 1cqg h LYS 48 Cb 0.83 0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 32.42 1cqg h LYS 48 CO 0.00 1.23 -0.69 0.66 -2.27 0.00 0.00 179.45 178.38 1cqg n TYR 49 N -3.79 3.00 0.21 1.91 4.01 0.35 -4.86 117.16 117.99 1cqg n TYR 49 Ca -0.09 -4.04 0.02 0.00 -0.16 0.00 0.00 57.90 53.63 1cqg n TYR 49 Cb 0.88 -0.52 0.11 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.79 0.00 0.21 7.72 3.41 -1.04 -0.21 113.62 124.50 1cqg n SER 50 Ca 0.29 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1cqg n SER 50 Cb 0.43 -0.26 0.16 0.00 -0.26 0.00 0.00 64.21 64.28 1cqg n SER 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1cqg h ASN 51 N 0.00 0.00 -3.43 4.04 -0.73 -1.89 -3.45 115.58 110.12 1cqg h ASN 51 Ca 0.00 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 57.51 1cqg h ASN 51 Cb 0.04 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.49 1cqg h ASN 51 CO 0.00 0.02 -0.68 -0.69 -0.37 0.00 0.00 177.43 175.71 1cqg s VAL 52 N -3.21 3.89 -0.30 2.57 1.01 0.70 -4.37 120.40 120.69 1cqg s VAL 52 Ca 0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1cqg s VAL 52 Cb 0.05 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1cqg s VAL 52 CO 0.68 0.23 0.22 -0.63 0.00 0.00 0.00 175.10 175.60 1cqg s ILE 53 N -1.18 5.29 -0.22 2.22 -1.09 -0.88 -4.94 121.20 120.39 1cqg s ILE 53 Ca 0.22 0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 1cqg s ILE 53 Cb -0.11 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1cqg s ILE 53 CO 0.14 0.15 0.27 -0.36 -1.23 0.00 0.00 174.94 173.91 1cqg s PHE 54 N 1.77 3.34 -0.04 3.97 0.40 -1.26 -1.72 117.98 124.43 1cqg s PHE 54 Ca 0.07 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1cqg s PHE 54 Cb -0.16 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 1cqg s PHE 54 CO 0.11 0.02 -0.06 -0.51 0.70 0.00 0.00 175.22 175.49 1cqg s LEU 55 N 1.20 3.23 -0.15 -0.37 1.02 0.43 -3.15 118.68 120.89 1cqg s LEU 55 Ca 0.13 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.20 1cqg s LEU 55 Cb -0.14 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1cqg s LEU 55 CO 0.06 0.33 -0.05 -0.70 0.02 0.00 0.00 176.35 176.01 1cqg s GLU 56 N -1.08 3.62 -0.04 1.70 2.12 -0.92 -1.01 118.70 123.09 1cqg s GLU 56 Ca 0.15 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 54.98 1cqg s GLU 56 Cb -0.11 -2.87 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 1cqg s GLU 56 CO 0.04 0.25 -0.17 0.08 -0.54 0.00 0.00 175.26 174.92 1cqg s VAL 57 N 0.33 1.45 -0.29 3.70 1.01 0.13 -2.52 120.40 124.22 1cqg s VAL 57 Ca -0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1cqg s VAL 57 Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1cqg s VAL 57 CO 0.03 0.42 0.31 -0.62 0.00 0.00 0.00 175.10 175.25 1cqg s ASP 58 N 0.01 6.16 0.59 3.32 -1.08 -1.26 -3.69 116.67 120.72 1cqg s ASP 58 Ca -0.03 0.07 0.37 0.00 -0.52 0.00 0.00 52.55 52.44 1cqg s ASP 58 Cb -0.11 -2.18 1.76 0.00 -1.46 0.00 0.00 42.92 40.93 1cqg s ASP 58 CO 0.02 -0.18 2.13 -0.37 0.52 0.00 0.00 175.17 177.29 1cqg h VAL 59 N 5.42 0.06 0.07 1.11 -1.51 -1.74 0.98 116.25 120.63 1cqg h VAL 59 Ca -0.32 -0.34 -0.33 0.00 -1.23 0.00 0.00 66.70 64.48 1cqg h VAL 59 Cb 1.17 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 1cqg h VAL 59 CO 0.63 0.01 -1.81 0.47 -1.23 0.00 0.00 177.57 175.64 1cqg n ASP 60 N -3.14 2.02 0.02 4.19 9.92 -1.26 -2.81 116.55 125.49 1cqg n ASP 60 Ca -0.01 0.27 0.11 0.00 -0.53 0.00 0.00 54.79 54.63 1cqg n ASP 60 Cb 0.22 -0.87 -0.01 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 -3.84 0.60 -1.92 -2.24 8.00 -1.18 -4.07 116.55 111.91 1cqg n ASP 61 Ca -0.34 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 1cqg n ASP 61 Cb 0.91 0.91 0.06 0.00 -0.02 0.00 0.00 41.12 42.98 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 -1.82 4.19 0.33 2.24 0.00 0.34 -4.78 120.51 121.00 1cqg n ALA 62 Ca 0.02 -3.43 0.21 0.00 0.00 0.00 0.00 53.44 50.23 1cqg n ALA 62 Cb 0.43 -0.46 1.16 0.00 0.00 0.00 0.00 19.45 20.59 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 2.01 0.00 -0.60 0.00 3.07 -1.39 -1.09 115.11 117.10 1cqg h GLN 63 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.84 1cqg h GLN 63 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.95 1cqg h GLN 63 CO 0.49 0.00 0.05 0.38 0.09 0.00 0.00 178.83 179.83 1cqg h ASP 64 N 0.00 0.99 -0.14 0.06 3.04 -1.87 0.48 116.42 118.98 1cqg h ASP 64 Ca 0.00 -0.25 -0.08 0.00 -3.24 0.00 0.00 57.03 53.46 1cqg h ASP 64 Cb 0.01 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 38.03 1cqg h ASP 64 CO -0.00 1.01 -0.22 0.58 -2.04 0.00 0.00 179.24 178.57 1cqg h VAL 65 N 0.95 1.37 -0.28 4.15 2.07 -1.54 -3.04 116.25 119.92 1cqg h VAL 65 Ca 0.18 -1.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.09 1cqg h VAL 65 Cb 0.48 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1cqg h VAL 65 CO 0.02 0.43 -0.43 0.00 0.02 0.00 0.00 177.57 177.61 1cqg h ALA 66 N 0.56 0.72 -0.78 1.67 0.00 -1.37 -3.08 119.26 116.99 1cqg h ALA 66 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1cqg h ALA 66 Cb 0.80 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1cqg h ALA 66 CO 0.05 0.66 0.48 0.66 0.00 0.00 0.00 179.25 181.11 1cqg h SER 67 N 0.57 0.92 -0.64 0.00 4.64 -0.07 -0.59 113.55 118.38 1cqg h SER 67 Ca 0.04 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1cqg h SER 67 Cb 0.97 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1cqg h SER 67 CO 0.09 0.70 0.18 -0.08 -0.87 0.00 0.00 176.83 176.85 1cqg h GLU 68 N 1.07 1.04 -0.00 4.77 4.57 -1.44 -1.88 114.58 122.70 1cqg h GLU 68 Ca 0.28 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1cqg h GLU 68 Cb -0.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 1cqg h GLU 68 CO -0.06 0.91 -0.05 0.00 -1.18 0.00 0.00 179.01 178.63 1cqg n ALA 69 N -2.46 2.68 -3.65 2.92 0.00 -0.76 -4.92 120.51 114.33 1cqg n ALA 69 Ca 0.05 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 1cqg n ALA 69 Cb 0.24 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.35 1cqg n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cqg n GLU 70 N -0.86 -5.25 -1.89 0.00 -0.58 -0.30 -4.85 120.64 106.91 1cqg n GLU 70 Ca 0.18 0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 57.16 1cqg n GLU 70 Cb 0.24 -5.31 -0.03 0.00 -0.57 0.00 0.00 31.44 25.77 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 -3.61 2.48 -0.80 2.62 1.01 -1.07 -4.87 120.40 116.16 1cqg s VAL 71 Ca 0.01 0.35 0.19 0.00 0.00 0.00 0.00 61.98 62.53 1cqg s VAL 71 Cb -0.01 -3.22 -0.21 0.00 0.00 0.00 0.00 36.38 32.94 1cqg s VAL 71 CO 0.80 0.03 0.76 0.29 0.00 0.00 0.00 175.10 176.98 1cqg n LYS 72 N 3.92 0.78 -3.50 2.72 5.02 -1.26 -5.01 118.16 120.83 1cqg n LYS 72 Ca 0.14 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1cqg n LYS 72 Cb 0.38 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1cqg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cqg s ALA 73 N -2.83 -1.77 0.13 7.82 0.00 -1.26 -5.18 121.76 118.67 1cqg s ALA 73 Ca 0.06 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1cqg s ALA 73 Cb 0.14 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1cqg s ALA 73 CO 0.77 -0.56 -0.13 0.95 0.00 0.00 0.00 175.76 176.79 1cqg s THR 74 N -2.46 1.31 0.32 0.00 -4.23 -1.26 -4.11 115.64 105.21 1cqg s THR 74 Ca -0.01 -1.76 -0.28 0.00 -1.18 0.00 0.00 61.69 58.46 1cqg s THR 74 Cb -0.01 -1.57 -0.09 0.00 1.34 0.00 0.00 72.50 72.18 1cqg s THR 74 CO -0.04 -0.46 1.06 -2.16 -0.54 0.00 0.00 174.62 172.49 1cqg s PRO 75 N -2.80 4.50 -0.03 3.99 0.04 -1.26 -4.90 135.00 134.54 1cqg s PRO 75 Ca 0.10 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1cqg s PRO 75 Cb -0.04 -2.97 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 1cqg s PRO 75 CO 0.03 0.13 -0.16 0.99 0.04 0.00 0.00 177.00 178.03 1cqg s THR 76 N -1.35 1.30 -0.13 1.26 2.01 -1.26 -2.79 115.64 114.68 1cqg s THR 76 Ca 0.49 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 1cqg s THR 76 Cb -0.28 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1cqg s THR 76 CO 0.35 0.38 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.17 1cqg s PHE 77 N -0.01 2.81 -0.01 4.92 0.08 -0.73 -0.74 117.98 124.30 1cqg s PHE 77 Ca -0.02 -0.64 0.07 0.00 0.12 0.00 0.00 56.93 56.47 1cqg s PHE 77 Cb -0.10 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1cqg s PHE 77 CO 0.01 -0.20 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.04 1cqg s GLN 78 N 0.33 1.85 -0.14 0.44 -0.21 -0.44 -2.11 119.66 119.38 1cqg s GLN 78 Ca -0.11 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1cqg s GLN 78 Cb -0.16 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 1cqg s GLN 78 CO 0.06 0.50 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.65 1cqg s PHE 79 N -0.60 3.09 0.08 0.91 0.40 -0.40 -0.42 117.98 121.04 1cqg s PHE 79 Ca 0.09 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 1cqg s PHE 79 Cb -0.09 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1cqg s PHE 79 CO -0.00 0.11 -0.18 -0.06 0.70 0.00 0.00 175.22 175.78 1cqg s PHE 80 N 0.09 1.57 -0.15 0.36 0.40 0.56 -2.00 117.98 118.80 1cqg s PHE 80 Ca 0.01 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.85 1cqg s PHE 80 Cb -0.13 -0.87 0.07 0.00 0.51 0.00 0.00 43.02 42.59 1cqg s PHE 80 CO 0.02 0.14 0.34 0.21 0.70 0.00 0.00 175.22 176.63 1cqg s LYS 81 N -1.75 0.28 -1.76 0.44 2.20 0.14 -1.13 119.74 118.16 1cqg s LYS 81 Ca 0.03 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1cqg s LYS 81 Cb -0.10 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1cqg s LYS 81 CO 0.03 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.44 1cqg n LYS 82 N 4.80 -1.71 -1.03 4.03 5.02 -1.23 0.32 118.16 128.36 1cqg n LYS 82 Ca -0.16 0.99 -0.01 0.00 -2.02 0.00 0.00 58.31 57.11 1cqg n LYS 82 Cb 0.52 -5.61 -0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 -0.89 0.49 3.40 0.72 0.00 -1.26 -5.02 105.19 102.63 1cqg n GLY 83 Ca -0.23 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.94 2.93 -0.19 1.61 -1.52 0.15 -5.09 119.66 116.61 1cqg s GLN 84 Ca 0.00 -0.71 -0.28 0.00 -1.95 0.00 0.00 55.36 52.42 1cqg s GLN 84 Cb 0.00 -2.47 -0.00 0.00 -0.22 0.00 0.00 33.01 30.31 1cqg s GLN 84 CO 0.00 0.40 0.97 0.21 -0.25 0.00 0.00 175.29 176.62 1cqg s LYS 85 N -0.15 4.30 -0.06 2.91 2.20 -1.26 0.25 119.74 127.91 1cqg s LYS 85 Ca -0.01 1.26 0.09 0.00 -0.36 0.00 0.00 55.97 56.95 1cqg s LYS 85 Cb -0.14 -3.61 0.14 0.00 -1.51 0.00 0.00 37.83 32.71 1cqg s LYS 85 CO 0.03 -0.49 1.02 1.33 -0.36 0.00 0.00 175.35 176.89 1cqg n VAL 86 N 5.03 1.16 0.00 4.02 0.24 -0.84 -4.97 118.33 122.96 1cqg n VAL 86 Ca 0.09 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 1cqg n VAL 86 Cb 0.47 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.81 0.84 3.58 7.63 0.00 -1.24 -4.97 105.19 110.21 1cqg n GLY 87 Ca 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 0.63 -0.05 1.61 2.56 -1.26 -1.28 118.70 118.91 1cqg s GLU 88 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.86 1cqg s GLU 88 Cb 0.00 0.30 0.11 0.00 2.00 0.00 0.00 34.13 36.54 1cqg s GLU 88 CO 0.00 -0.19 0.95 -0.59 -0.56 0.00 0.00 175.26 174.87 1cqg s PHE 89 N -1.02 -0.32 0.23 5.30 -0.12 -0.90 -5.03 117.98 116.12 1cqg s PHE 89 Ca -0.02 0.24 0.07 0.00 -0.05 0.00 0.00 56.93 57.17 1cqg s PHE 89 Cb -0.01 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1cqg s PHE 89 CO 0.02 -0.47 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.08 1cqg s SER 90 N -2.28 2.49 0.00 1.98 1.04 -1.26 -1.77 113.70 113.89 1cqg s SER 90 Ca 0.05 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.38 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 -0.07 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1cqg n GLY 91 N -0.44 3.60 2.60 7.32 0.00 -1.12 -4.89 105.19 112.26 1cqg n GLY 91 Ca -0.07 -1.55 -0.38 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 -0.40 5.88 -3.96 4.61 0.00 -1.26 -4.79 120.51 120.60 1cqg n ALA 92 Ca 0.00 -3.35 -0.32 0.00 0.00 0.00 0.00 53.44 49.77 1cqg n ALA 92 Cb 0.00 -3.40 -0.14 0.00 0.00 0.00 0.00 19.45 15.91 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 3.08 4.78 0.27 0.00 3.04 -1.26 -4.96 114.94 119.90 1cqg s ASN 93 Ca 0.56 -2.32 0.06 0.00 0.04 0.00 0.00 52.86 51.19 1cqg s ASN 93 Cb 0.15 -1.67 0.38 0.00 -1.54 0.00 0.00 41.25 38.57 1cqg s ASN 93 CO -0.04 -0.38 1.65 0.07 -3.04 0.00 0.00 177.10 175.36 1cqg h LYS 94 N 7.45 0.25 -0.06 0.43 -0.00 -1.96 -2.88 116.57 119.80 1cqg h LYS 94 Ca -0.06 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.65 60.42 1cqg h LYS 94 Cb 1.00 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.23 1cqg h LYS 94 CO 0.59 0.67 -0.13 0.93 -0.00 0.00 0.00 179.45 181.50 1cqg h GLU 95 N 0.20 0.10 -0.45 0.07 4.39 -2.00 -2.00 114.58 114.89 1cqg h GLU 95 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1cqg h GLU 95 Cb 0.91 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1cqg h GLU 95 CO 0.07 0.24 0.24 -0.22 -1.16 0.00 0.00 179.01 178.18 1cqg h LYS 96 N 0.09 0.61 -0.80 2.33 3.64 -1.93 -1.10 116.57 119.41 1cqg h LYS 96 Ca 0.02 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1cqg h LYS 96 Cb 0.30 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1cqg h LYS 96 CO 0.02 0.45 0.53 -0.07 -2.27 0.00 0.00 179.45 178.11 1cqg h LEU 97 N 0.62 0.89 -0.60 5.20 3.38 -1.46 -2.41 115.31 120.94 1cqg h LEU 97 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1cqg h LEU 97 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1cqg h LEU 97 CO -0.03 0.63 0.18 -0.08 0.09 0.00 0.00 178.44 179.24 1cqg h GLU 98 N 1.04 0.93 -0.30 1.13 4.81 -1.26 -2.37 114.58 118.57 1cqg h GLU 98 Ca 0.30 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1cqg h GLU 98 Cb -0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1cqg h GLU 98 CO -0.08 0.83 -0.12 0.00 -0.73 0.00 0.00 179.01 178.92 1cqg h ALA 99 N 1.05 0.42 -0.57 2.92 0.00 -1.32 -2.45 119.26 119.32 1cqg h ALA 99 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1cqg h ALA 99 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1cqg h ALA 99 CO -0.01 0.29 0.01 1.15 0.00 0.00 0.00 179.25 180.70 1cqg h THR 100 N 0.37 1.26 -0.01 0.00 2.02 -1.47 0.22 112.91 115.31 1cqg h THR 100 Ca 0.07 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1cqg h THR 100 Cb 0.63 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1cqg h THR 100 CO 0.04 0.40 0.00 0.40 0.37 0.00 0.00 175.52 176.73 1cqg h ILE 101 N 0.91 1.00 -0.49 3.11 2.04 -1.38 0.16 117.51 122.86 1cqg h ILE 101 Ca 0.17 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1cqg h ILE 101 Cb 0.51 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1cqg h ILE 101 CO 0.02 0.00 0.32 -1.13 0.00 0.00 0.00 178.15 177.36 1cqg h ASN 102 N 0.00 0.57 -0.50 1.72 -0.73 -1.23 0.95 115.58 116.36 1cqg h ASN 102 Ca 0.00 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 1cqg h ASN 102 Cb 0.00 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1cqg h ASN 102 CO -0.00 0.42 -0.19 -0.08 -0.37 0.00 0.00 177.43 177.21 1cqg h GLU 103 N 0.67 1.01 -0.02 6.67 4.22 0.35 -3.15 114.58 124.32 1cqg h GLU 103 Ca 0.18 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1cqg h GLU 103 Cb -0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1cqg h GLU 103 CO -0.04 1.10 -0.17 1.28 -2.18 0.00 0.00 179.01 179.00 1cqg n LEU 104 N -4.12 2.60 0.00 1.64 4.77 0.44 -5.08 117.00 117.25 1cqg n LEU 104 Ca 0.01 -0.89 0.05 0.00 -0.03 0.00 0.00 56.01 55.14 1cqg n LEU 104 Cb 0.44 -0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.82 1cqg n LEU 104 CO 0.46 0.45 0.51 0.55 -1.33 0.00 0.00 177.39 178.03