#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qg1 n SER 2 N 0.00 0.97 -3.36 1.61 7.64 -1.26 -5.13 113.62 114.10 1qg1 n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1qg1 n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1qg1 n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1qg1 s HIS 3 N -0.76 -0.48 -2.00 1.43 4.02 -1.26 -4.97 115.29 111.27 1qg1 s HIS 3 Ca 0.00 -0.51 0.16 0.00 1.02 0.00 0.00 55.06 55.73 1qg1 s HIS 3 Cb 0.00 -0.36 0.97 0.00 -1.02 0.00 0.00 32.58 32.17 1qg1 s HIS 3 CO 0.00 -0.97 1.53 -0.35 1.02 0.00 0.00 174.74 175.97 1qg1 n PRO 4 N 4.60 0.87 0.00 8.40 -0.04 -1.26 -4.10 135.00 143.47 1qg1 n PRO 4 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1qg1 n PRO 4 Cb 0.46 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1qg1 n PRO 4 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qg1 n TRP 5 N -0.79 0.00 -1.70 0.54 4.27 -1.26 -4.25 117.44 114.24 1qg1 n TRP 5 Ca 0.12 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.39 1qg1 n TRP 5 Cb 0.06 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.07 1qg1 n TRP 5 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1qg1 s PHE 6 N -1.00 2.32 0.01 -2.67 5.36 -1.26 -1.78 117.98 118.96 1qg1 s PHE 6 Ca 0.00 1.56 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1qg1 s PHE 6 Cb 0.00 -3.38 -0.00 0.00 -0.34 0.00 0.00 43.02 39.30 1qg1 s PHE 6 CO 0.00 -2.21 -0.01 1.19 -1.46 0.00 0.00 175.22 172.73 1qg1 n PHE 7 N -2.30 0.00 0.00 10.12 3.72 -0.02 -4.71 117.46 124.27 1qg1 n PHE 7 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1qg1 n PHE 7 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1qg1 n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qg1 n GLY 8 N 3.20 0.89 2.51 1.37 0.00 -1.25 -4.94 105.19 106.98 1qg1 n GLY 8 Ca -0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1qg1 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qg1 n LYS 9 N 0.00 2.75 -4.58 1.61 4.76 -1.26 -1.39 118.16 120.05 1qg1 n LYS 9 Ca 0.00 -4.70 -0.27 0.00 -2.87 0.00 0.00 58.31 50.47 1qg1 n LYS 9 Cb 0.00 -2.27 -0.11 0.00 -1.84 0.00 0.00 35.03 30.81 1qg1 n LYS 9 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1qg1 s ILE 10 N -2.75 2.10 0.15 -0.18 -4.36 -1.26 -4.86 121.20 110.05 1qg1 s ILE 10 Ca 0.41 -2.07 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 1qg1 s ILE 10 Cb 0.16 -2.86 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 1qg1 s ILE 10 CO -0.02 -0.08 0.93 -2.16 0.24 0.00 0.00 174.94 173.85 1qg1 s PRO 11 N -3.67 4.73 0.35 0.37 0.04 -1.26 -3.14 135.00 132.41 1qg1 s PRO 11 Ca 0.34 1.41 0.12 0.00 0.04 0.00 0.00 61.00 62.92 1qg1 s PRO 11 Cb 0.07 -3.34 0.93 0.00 0.04 0.00 0.00 34.50 32.21 1qg1 s PRO 11 CO 0.17 0.34 1.76 0.07 0.04 0.00 0.00 177.00 179.39 1qg1 h ARG 12 N 5.04 0.54 -0.71 4.56 0.11 -1.99 0.42 114.38 122.35 1qg1 h ARG 12 Ca -0.44 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 59.64 1qg1 h ARG 12 Cb 1.21 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 32.12 1qg1 h ARG 12 CO 0.70 0.36 0.45 0.00 0.10 0.00 0.00 179.97 181.58 1qg1 h ALA 13 N 1.66 0.92 -0.88 0.08 0.00 -1.96 0.41 119.26 119.49 1qg1 h ALA 13 Ca 0.60 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.54 1qg1 h ALA 13 Cb 1.23 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1qg1 h ALA 13 CO -0.37 0.24 0.55 -0.22 0.00 0.00 0.00 179.25 179.45 1qg1 h LYS 14 N 0.88 0.99 0.00 0.00 1.63 -0.55 0.52 116.57 120.04 1qg1 h LYS 14 Ca 0.28 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1qg1 h LYS 14 Cb -0.00 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 1qg1 h LYS 14 CO -0.10 0.66 -0.17 0.00 -3.45 0.00 0.00 179.45 176.39 1qg1 h ALA 15 N 1.40 1.01 0.00 5.00 0.00 -0.57 -1.22 119.26 124.88 1qg1 h ALA 15 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qg1 h ALA 15 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qg1 h ALA 15 CO -0.16 0.21 -0.12 0.39 0.00 0.00 0.00 179.25 179.57 1qg1 n GLU 16 N -3.31 0.09 -0.11 0.00 1.02 0.14 -2.44 120.64 116.03 1qg1 n GLU 16 Ca 0.00 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1qg1 n GLU 16 Cb 0.41 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1qg1 n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qg1 n GLU 17 N -1.74 0.57 0.31 3.49 1.02 0.95 -3.03 120.64 122.20 1qg1 n GLU 17 Ca 0.06 0.45 0.20 0.00 -0.02 0.00 0.00 57.16 57.85 1qg1 n GLU 17 Cb 0.37 -1.64 0.94 0.00 -0.02 0.00 0.00 31.44 31.09 1qg1 n GLU 17 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1qg1 h MET 18 N -1.00 0.00 0.00 3.49 2.86 -1.43 -0.52 114.93 118.34 1qg1 h MET 18 Ca -0.45 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.10 1qg1 h MET 18 Cb 1.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1qg1 h MET 18 CO -0.27 0.00 -0.89 -0.07 1.06 0.00 0.00 176.91 176.73 1qg1 h LEU 19 N 0.00 0.00 -0.72 1.22 3.38 -1.63 -3.24 115.31 114.33 1qg1 h LEU 19 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1qg1 h LEU 19 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1qg1 h LEU 19 CO 0.00 0.34 -0.56 -1.28 0.09 0.00 0.00 178.44 177.03 1qg1 h SER 20 N 0.00 0.00 0.38 -0.43 0.87 -1.00 -2.82 113.55 110.55 1qg1 h SER 20 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1qg1 h SER 20 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1qg1 h SER 20 CO 0.03 0.56 -0.48 2.29 -0.53 0.00 0.00 176.83 178.70 1qg1 n LYS 21 N -3.64 0.23 -0.51 2.24 -0.00 -1.14 -4.91 118.16 110.43 1qg1 n LYS 21 Ca -0.01 -0.14 -0.22 0.00 -0.00 0.00 0.00 58.31 57.95 1qg1 n LYS 21 Cb 0.61 -1.50 0.17 0.00 -0.00 0.00 0.00 35.03 34.32 1qg1 n LYS 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1qg1 n GLN 22 N -1.26 -2.53 0.00 -1.58 3.00 -1.07 -4.97 117.38 108.96 1qg1 n GLN 22 Ca 0.07 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.32 1qg1 n GLN 22 Cb 0.34 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1qg1 n GLN 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1qg1 n ARG 23 N -2.38 1.90 -3.51 -1.09 1.85 -1.26 -5.01 116.66 107.17 1qg1 n ARG 23 Ca 0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.54 1qg1 n ARG 23 Cb 0.43 -0.74 -0.08 0.00 -1.05 0.00 0.00 32.46 31.01 1qg1 n ARG 23 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1qg1 s HIS 24 N -1.47 3.34 -0.63 2.89 3.76 -1.26 -4.98 115.29 116.93 1qg1 s HIS 24 Ca 0.00 0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 55.08 1qg1 s HIS 24 Cb 0.00 -2.41 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1qg1 s HIS 24 CO 0.00 0.02 1.85 0.16 -0.85 0.00 0.00 174.74 175.92 1qg1 s ASP 25 N 1.07 5.28 0.00 1.40 1.47 -1.26 -1.81 116.67 122.82 1qg1 s ASP 25 Ca 0.14 0.25 0.00 0.00 1.18 0.00 0.00 52.55 54.12 1qg1 s ASP 25 Cb -0.14 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1qg1 s ASP 25 CO 0.06 -2.39 0.00 0.61 0.68 0.00 0.00 175.17 174.14 1qg1 n GLY 26 N 5.77 0.32 2.82 2.12 0.00 0.11 -4.31 105.19 112.02 1qg1 n GLY 26 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1qg1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qg1 n ALA 27 N 0.00 -2.70 -2.70 4.61 0.00 -0.75 0.18 120.51 119.15 1qg1 n ALA 27 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.75 1qg1 n ALA 27 Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1qg1 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1qg1 s PHE 28 N -0.60 0.19 0.06 0.00 -0.12 -0.24 -1.49 117.98 115.77 1qg1 s PHE 28 Ca 0.59 -0.58 -0.16 0.00 -0.05 0.00 0.00 56.93 56.72 1qg1 s PHE 28 Cb -0.84 -0.00 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1qg1 s PHE 28 CO 0.46 -0.64 0.37 -0.48 -0.05 0.00 0.00 175.22 174.88 1qg1 s LEU 29 N -2.89 0.56 -0.10 -1.99 0.05 -0.43 -3.91 118.68 109.97 1qg1 s LEU 29 Ca 0.09 -0.13 0.02 0.00 0.05 0.00 0.00 54.13 54.16 1qg1 s LEU 29 Cb 0.04 1.63 -0.02 0.00 -2.05 0.00 0.00 46.19 45.79 1qg1 s LEU 29 CO -0.07 -0.69 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.26 1qg1 s ILE 30 N -2.80 2.90 0.05 1.48 1.01 -0.73 -0.92 121.20 122.18 1qg1 s ILE 30 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1qg1 s ILE 30 Cb -0.00 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1qg1 s ILE 30 CO -0.05 0.55 -0.18 0.00 0.00 0.00 0.00 174.94 175.26 1qg1 s ARG 31 N -0.03 2.06 -1.03 2.79 1.70 0.16 -0.84 118.95 123.76 1qg1 s ARG 31 Ca -0.04 -0.99 -0.03 0.00 -0.47 0.00 0.00 55.73 54.20 1qg1 s ARG 31 Cb -0.14 -2.19 0.25 0.00 -0.57 0.00 0.00 34.95 32.30 1qg1 s ARG 31 CO 0.04 0.54 2.09 -1.91 -1.08 0.00 0.00 175.30 174.98 1qg1 n GLU 32 N 1.50 4.57 -2.35 3.89 2.13 -0.49 0.15 120.64 130.05 1qg1 n GLU 32 Ca -0.16 -3.98 0.00 0.00 0.66 0.00 0.00 57.16 53.68 1qg1 n GLU 32 Cb 0.52 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1qg1 n GLU 32 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1qg1 n SER 33 N 0.42 -5.16 0.24 4.31 7.64 0.56 -3.26 113.62 118.38 1qg1 n SER 33 Ca 0.52 0.49 0.16 0.00 1.01 0.00 0.00 58.87 61.05 1qg1 n SER 33 Cb 0.28 -1.13 0.69 0.00 -1.01 0.00 0.00 64.21 63.04 1qg1 n SER 33 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1qg1 h GLU 34 N 3.54 0.00 0.00 1.43 4.39 -1.85 -2.44 114.58 119.65 1qg1 h GLU 34 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1qg1 h GLU 34 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1qg1 h GLU 34 CO 0.00 0.00 -1.44 0.66 -1.16 0.00 0.00 179.01 177.07 1qg1 h SER 35 N 0.00 0.00 -3.11 1.42 4.64 -1.88 -3.47 113.55 111.15 1qg1 h SER 35 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1qg1 h SER 35 Cb 0.39 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.56 1qg1 h SER 35 CO 0.00 0.77 0.15 0.00 -0.87 0.00 0.00 176.83 176.88 1qg1 s ALA 36 N -2.78 3.39 -1.60 5.18 0.00 -0.92 -4.95 121.76 120.09 1qg1 s ALA 36 Ca -0.03 -1.22 0.26 0.00 0.00 0.00 0.00 51.96 50.97 1qg1 s ALA 36 Cb 0.08 -2.35 1.41 0.00 0.00 0.00 0.00 23.12 22.26 1qg1 s ALA 36 CO 0.81 -1.28 1.91 -0.35 0.00 0.00 0.00 175.76 176.85 1qg1 n PRO 37 N -2.82 0.51 0.00 0.00 -0.04 -1.26 -4.61 135.00 126.79 1qg1 n PRO 37 Ca 0.10 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1qg1 n PRO 37 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1qg1 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qg1 n GLY 38 N 0.85 -1.15 3.21 0.55 0.00 -1.26 -5.11 105.19 102.28 1qg1 n GLY 38 Ca 0.15 0.40 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 1qg1 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qg1 s ASP 39 N 0.00 4.95 0.86 1.61 1.01 -1.20 -4.92 116.67 118.97 1qg1 s ASP 39 Ca 0.00 -1.15 -0.12 0.00 0.71 0.00 0.00 52.55 51.99 1qg1 s ASP 39 Cb 0.00 -1.76 0.09 0.00 1.01 0.00 0.00 42.92 42.26 1qg1 s ASP 39 CO 0.00 -0.26 1.02 0.49 0.21 0.00 0.00 175.17 176.64 1qg1 n PHE 40 N 4.69 0.60 -3.85 4.23 3.72 -1.26 0.21 117.46 125.80 1qg1 n PHE 40 Ca -0.13 0.38 -0.01 0.00 -0.05 0.00 0.00 57.45 57.63 1qg1 n PHE 40 Cb 0.44 -2.01 0.02 0.00 -0.94 0.00 0.00 39.48 36.99 1qg1 n PHE 40 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1qg1 n SER 41 N -3.08 -1.27 -3.64 4.37 7.64 0.40 -2.31 113.62 115.74 1qg1 n SER 41 Ca 0.12 -1.59 -0.08 0.00 1.01 0.00 0.00 58.87 58.33 1qg1 n SER 41 Cb 0.51 2.05 -0.07 0.00 -1.01 0.00 0.00 64.21 65.69 1qg1 n SER 41 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qg1 s LEU 42 N 0.00 -0.82 0.06 -3.43 2.96 -0.57 -0.66 118.68 116.22 1qg1 s LEU 42 Ca 0.20 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1qg1 s LEU 42 Cb -0.02 2.30 -0.04 0.00 0.50 0.00 0.00 46.19 48.93 1qg1 s LEU 42 CO 0.03 -0.22 0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 1qg1 s SER 43 N 1.25 6.00 -0.13 3.68 0.01 -0.10 -0.06 113.70 124.35 1qg1 s SER 43 Ca -0.07 0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.15 1qg1 s SER 43 Cb -0.05 -1.76 0.05 0.00 0.21 0.00 0.00 66.02 64.47 1qg1 s SER 43 CO -0.14 0.18 0.51 0.54 0.41 0.00 0.00 173.24 174.74 1qg1 s VAL 44 N -1.43 0.01 -0.42 3.43 0.11 0.22 -1.31 120.40 121.01 1qg1 s VAL 44 Ca 0.31 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.04 1qg1 s VAL 44 Cb -0.13 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1qg1 s VAL 44 CO 0.24 -0.05 0.75 -0.75 -3.33 0.00 0.00 175.10 171.96 1qg1 s LYS 45 N -0.34 3.50 -0.52 1.54 2.20 -0.56 -1.13 119.74 124.42 1qg1 s LYS 45 Ca -0.05 -0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1qg1 s LYS 45 Cb -0.03 -3.90 0.14 0.00 -1.51 0.00 0.00 37.83 32.53 1qg1 s LYS 45 CO 0.03 -1.00 0.33 -0.06 -0.36 0.00 0.00 175.35 174.29 1qg1 s PHE 46 N 3.13 3.49 0.00 4.03 0.08 -0.73 0.07 117.98 128.05 1qg1 s PHE 46 Ca 0.29 -2.55 0.00 0.00 0.12 0.00 0.00 56.93 54.79 1qg1 s PHE 46 Cb -0.13 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1qg1 s PHE 46 CO 0.20 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 1qg1 n GLY 47 N 4.03 2.67 0.00 4.36 0.00 -1.26 -3.82 105.19 111.17 1qg1 n GLY 47 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1qg1 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qg1 n ASN 48 N 0.87 0.00 -4.79 1.61 5.15 -1.26 -4.97 115.26 111.86 1qg1 n ASN 48 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 1qg1 n ASN 48 Cb 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.34 1qg1 n ASN 48 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1qg1 s ASP 49 N 0.00 4.53 -0.39 1.20 1.01 -1.25 -4.75 116.67 117.01 1qg1 s ASP 49 Ca 0.00 0.34 0.04 0.00 0.71 0.00 0.00 52.55 53.64 1qg1 s ASP 49 Cb 0.00 -0.87 0.11 0.00 1.01 0.00 0.00 42.92 43.17 1qg1 s ASP 49 CO 0.00 -1.79 0.11 -0.69 0.21 0.00 0.00 175.17 173.02 1qg1 s VAL 50 N -3.33 2.34 0.03 -1.27 1.01 -1.26 -1.76 120.40 116.15 1qg1 s VAL 50 Ca 0.63 -2.63 -0.09 0.00 0.00 0.00 0.00 61.98 59.90 1qg1 s VAL 50 Cb -0.09 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1qg1 s VAL 50 CO 0.46 -0.66 0.32 -1.58 0.00 0.00 0.00 175.10 173.64 1qg1 s GLN 51 N 0.55 3.67 0.17 2.72 -0.44 -0.29 -4.74 119.66 121.31 1qg1 s GLN 51 Ca 0.13 0.06 0.10 0.00 -2.50 0.00 0.00 55.36 53.15 1qg1 s GLN 51 Cb -0.21 -3.07 -0.04 0.00 -1.64 0.00 0.00 33.01 28.05 1qg1 s GLN 51 CO -0.06 0.63 -0.22 -1.01 0.50 0.00 0.00 175.29 175.13 1qg1 s HIS 52 N -1.30 2.06 -0.10 1.67 0.09 -1.25 -0.61 115.29 115.85 1qg1 s HIS 52 Ca 0.28 -0.41 -0.04 0.00 -0.00 0.00 0.00 55.06 54.90 1qg1 s HIS 52 Cb -0.14 -1.04 -0.04 0.00 -0.00 0.00 0.00 32.58 31.37 1qg1 s HIS 52 CO 0.16 0.40 0.05 -0.06 -0.00 0.00 0.00 174.74 175.29 1qg1 s PHE 53 N -1.73 3.32 0.08 1.40 0.08 0.91 -4.88 117.98 117.16 1qg1 s PHE 53 Ca 0.17 0.31 -0.30 0.00 0.12 0.00 0.00 56.93 57.23 1qg1 s PHE 53 Cb -0.07 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1qg1 s PHE 53 CO 0.08 0.56 0.98 0.21 -0.10 0.00 0.00 175.22 176.95 1qg1 s LYS 54 N -0.91 4.64 -0.14 0.44 2.47 -1.26 -1.51 119.74 123.48 1qg1 s LYS 54 Ca 0.14 1.47 -0.12 0.00 -1.56 0.00 0.00 55.97 55.90 1qg1 s LYS 54 Cb -0.12 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.81 1qg1 s LYS 54 CO 0.03 0.11 0.25 0.08 0.16 0.00 0.00 175.35 175.98 1qg1 s VAL 55 N 0.31 5.33 0.41 4.02 1.01 -0.98 -4.02 120.40 126.49 1qg1 s VAL 55 Ca 0.49 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1qg1 s VAL 55 Cb -0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1qg1 s VAL 55 CO 0.30 0.47 0.05 -0.76 0.00 0.00 0.00 175.10 175.16 1qg1 s LEU 56 N -0.06 2.32 -0.02 3.92 1.43 -0.32 -4.30 118.68 121.65 1qg1 s LEU 56 Ca 0.16 -1.52 0.06 0.00 -1.03 0.00 0.00 54.13 51.79 1qg1 s LEU 56 Cb -0.13 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 1qg1 s LEU 56 CO 0.04 -0.71 -0.19 -0.60 0.23 0.00 0.00 176.35 175.12 1qg1 s ARG 57 N -3.80 1.66 0.00 1.70 6.06 -1.26 -2.43 118.95 120.88 1qg1 s ARG 57 Ca 0.25 -0.68 0.22 0.00 -2.50 0.00 0.00 55.73 53.02 1qg1 s ARG 57 Cb 0.06 -1.55 1.28 0.00 0.06 0.00 0.00 34.95 34.79 1qg1 s ARG 57 CO 0.13 0.37 1.67 -3.47 -2.50 0.00 0.00 175.30 171.50 1qg1 n ASP 58 N 2.75 0.00 0.00 -2.12 2.03 -1.18 -4.80 116.55 113.23 1qg1 n ASP 58 Ca -0.16 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1qg1 n ASP 58 Cb 0.53 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1qg1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qg1 n GLY 59 N 0.36 1.22 0.00 0.27 0.00 -1.26 -4.80 105.19 100.98 1qg1 n GLY 59 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1qg1 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qg1 n ALA 60 N -0.77 2.28 0.00 4.61 0.00 -1.26 -4.98 120.51 120.39 1qg1 n ALA 60 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1qg1 n ALA 60 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1qg1 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qg1 n GLY 61 N 2.03 -0.20 3.85 0.00 0.00 -1.26 -5.13 105.19 104.48 1qg1 n GLY 61 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qg1 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qg1 s LYS 62 N 0.00 3.13 -0.04 1.61 1.02 -1.26 -4.74 119.74 119.46 1qg1 s LYS 62 Ca 0.00 0.76 0.01 0.00 0.02 0.00 0.00 55.97 56.76 1qg1 s LYS 62 Cb 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1qg1 s LYS 62 CO 0.00 -0.91 -0.06 0.71 -0.92 0.00 0.00 175.35 174.17 1qg1 s TYR 63 N -3.16 0.81 0.26 3.18 2.02 -0.55 -3.10 117.35 116.81 1qg1 s TYR 63 Ca 0.57 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1qg1 s TYR 63 Cb -0.12 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 1qg1 s TYR 63 CO 0.54 -0.17 0.15 -0.59 -1.57 0.00 0.00 175.55 173.91 1qg1 s PHE 64 N 0.72 1.44 -0.33 2.71 -0.71 -1.02 -1.20 117.98 119.60 1qg1 s PHE 64 Ca -0.10 -1.37 0.04 0.00 -1.04 0.00 0.00 56.93 54.45 1qg1 s PHE 64 Cb -0.13 -0.74 0.26 0.00 -1.21 0.00 0.00 43.02 41.20 1qg1 s PHE 64 CO 0.01 -0.57 1.31 1.47 -1.34 0.00 0.00 175.22 176.09 1qg1 n LEU 65 N -0.45 -1.22 0.00 -1.99 -0.00 -1.26 -1.17 117.00 110.92 1qg1 n LEU 65 Ca 0.02 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 1qg1 n LEU 65 Cb 0.65 0.94 0.00 0.00 -0.00 0.00 0.00 43.42 45.02 1qg1 n LEU 65 CO 0.34 1.48 0.00 1.87 -0.00 0.00 0.00 177.39 181.08 1qg1 n TRP 66 N 0.20 0.00 0.00 1.47 -0.00 -1.26 -4.58 117.44 113.27 1qg1 n TRP 66 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 1qg1 n TRP 66 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.04 1qg1 n TRP 66 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1qg1 n VAL 67 N 0.00 0.00 -2.52 5.87 0.31 -1.26 -5.10 118.33 115.63 1qg1 n VAL 67 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1qg1 n VAL 67 Cb 0.00 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1qg1 n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1qg1 s VAL 68 N -0.60 4.56 0.41 2.52 1.01 -1.26 -5.08 120.40 121.96 1qg1 s VAL 68 Ca 0.00 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1qg1 s VAL 68 Cb 0.00 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1qg1 s VAL 68 CO 0.00 -0.61 0.29 2.29 0.00 0.00 0.00 175.10 177.06 1qg1 n LYS 69 N -1.41 0.90 -0.99 2.72 2.85 -1.26 -4.36 118.16 116.61 1qg1 n LYS 69 Ca 0.06 -2.57 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 1qg1 n LYS 69 Cb 0.54 0.30 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1qg1 n LYS 69 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1qg1 n PHE 70 N -1.43 -0.51 -0.07 5.58 3.01 -0.34 -4.96 117.46 118.75 1qg1 n PHE 70 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.45 1qg1 n PHE 70 Cb 0.47 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1qg1 n PHE 70 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1qg1 n ASN 71 N -1.24 2.16 -3.60 4.37 4.05 -1.26 -1.48 115.26 118.27 1qg1 n ASN 71 Ca 0.00 -2.04 -0.15 0.00 0.45 0.00 0.00 54.58 52.83 1qg1 n ASN 71 Cb 0.00 -0.05 -0.06 0.00 1.23 0.00 0.00 39.78 40.89 1qg1 n ASN 71 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1qg1 s SER 72 N -1.07 -0.46 0.00 1.20 0.15 -1.26 -4.82 113.70 107.44 1qg1 s SER 72 Ca 0.05 0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 1qg1 s SER 72 Cb 0.03 0.46 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1qg1 s SER 72 CO 0.03 -0.60 0.88 -0.07 1.20 0.00 0.00 173.24 174.68 1qg1 h LEU 73 N 3.16 -0.44 -1.98 3.45 3.38 -1.95 -1.99 115.31 118.93 1qg1 h LEU 73 Ca -0.29 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1qg1 h LEU 73 Cb 1.17 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1qg1 h LEU 73 CO 0.40 -0.22 0.37 -0.55 0.09 0.00 0.00 178.44 178.53 1qg1 h ASN 74 N -0.72 0.00 -0.19 -0.43 7.08 -1.99 0.35 115.58 119.67 1qg1 h ASN 74 Ca -0.05 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.13 1qg1 h ASN 74 Cb 0.40 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.64 1qg1 h ASN 74 CO 0.09 0.00 -0.03 -0.33 -2.08 0.00 0.00 177.43 175.08 1qg1 h GLU 75 N 0.00 0.36 0.00 4.14 4.39 -1.85 -1.54 114.58 120.09 1qg1 h GLU 75 Ca 0.06 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1qg1 h GLU 75 Cb 0.80 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1qg1 h GLU 75 CO -0.00 0.60 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.26 1qg1 h LEU 76 N 0.09 0.00 0.20 1.33 4.07 0.41 -1.86 115.31 119.55 1qg1 h LEU 76 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1qg1 h LEU 76 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1qg1 h LEU 76 CO 0.02 0.13 -0.10 0.58 -1.08 0.00 0.00 178.44 177.98 1qg1 h VAL 77 N 0.00 0.00 -0.88 1.22 2.07 -0.86 -1.86 116.25 115.94 1qg1 h VAL 77 Ca -0.00 -0.11 0.23 0.00 0.82 0.00 0.00 66.70 67.64 1qg1 h VAL 77 Cb 0.25 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.89 1qg1 h VAL 77 CO 0.02 0.00 0.30 0.44 0.02 0.00 0.00 177.57 178.34 1qg1 h ASP 78 N -0.38 0.12 0.59 0.57 3.32 -1.22 0.74 116.42 120.16 1qg1 h ASP 78 Ca -0.03 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1qg1 h ASP 78 Cb 0.21 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1qg1 h ASP 78 CO 0.05 -0.11 -0.42 0.22 -1.72 0.00 0.00 179.24 177.26 1qg1 h TYR 79 N 0.27 -1.13 0.00 4.55 3.20 -1.34 -0.20 116.97 122.32 1qg1 h TYR 79 Ca 0.56 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1qg1 h TYR 79 Cb 1.11 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.80 1qg1 h TYR 79 CO -0.21 -0.61 0.00 0.72 -1.64 0.00 0.00 178.16 176.41 1qg1 n HIS 80 N -5.54 0.00 0.14 -3.82 8.25 -0.26 -1.01 115.22 112.98 1qg1 n HIS 80 Ca -0.13 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1qg1 n HIS 80 Cb 0.43 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1qg1 n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qg1 h ARG 81 N 0.00 0.00 0.00 -0.41 3.08 0.23 -2.40 114.38 114.87 1qg1 h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qg1 h ARG 81 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1qg1 h ARG 81 CO 0.00 0.44 -1.14 0.43 -1.07 0.00 0.00 179.97 178.64 1qg1 n SER 82 N -3.20 1.99 -4.56 7.04 7.64 -0.84 -4.71 113.62 116.98 1qg1 n SER 82 Ca 0.02 -0.23 -0.34 0.00 1.01 0.00 0.00 58.87 59.33 1qg1 n SER 82 Cb 0.72 1.31 -0.11 0.00 -1.01 0.00 0.00 64.21 65.11 1qg1 n SER 82 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qg1 s THR 83 N -2.44 3.75 0.06 0.44 2.01 -0.18 -5.10 115.64 114.18 1qg1 s THR 83 Ca -0.01 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1qg1 s THR 83 Cb 0.07 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1qg1 s THR 83 CO 0.41 0.57 0.03 -1.54 -0.69 0.00 0.00 174.62 173.40 1qg1 n SER 84 N 2.60 -1.37 0.00 3.53 3.41 -1.26 -4.45 113.62 116.08 1qg1 n SER 84 Ca -0.18 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1qg1 n SER 84 Cb 0.53 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1qg1 n SER 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1qg1 n VAL 85 N -2.75 0.00 -4.27 -3.33 0.24 -0.73 -4.84 118.33 102.65 1qg1 n VAL 85 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1qg1 n VAL 85 Cb 0.02 -0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.25 1qg1 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1qg1 s SER 86 N -2.39 4.17 -0.01 -1.34 0.15 -1.26 -5.00 113.70 108.02 1qg1 s SER 86 Ca 0.00 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.20 1qg1 s SER 86 Cb 0.00 -0.70 0.14 0.00 -1.71 0.00 0.00 66.02 63.75 1qg1 s SER 86 CO 0.00 0.17 1.03 0.54 1.20 0.00 0.00 173.24 176.17 1qg1 n ARG 87 N 0.64 1.43 -0.06 5.44 1.74 -1.26 -3.42 116.66 121.17 1qg1 n ARG 87 Ca -0.14 -0.55 -0.03 0.00 -0.77 0.00 0.00 57.85 56.37 1qg1 n ARG 87 Cb 0.53 -1.23 -0.14 0.00 -1.02 0.00 0.00 32.46 30.60 1qg1 n ARG 87 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1qg1 n ASN 88 N -0.03 0.85 -1.57 0.55 5.15 -1.26 -5.05 115.26 113.90 1qg1 n ASN 88 Ca 0.05 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.99 1qg1 n ASN 88 Cb 0.19 1.20 -0.00 0.00 -0.53 0.00 0.00 39.78 40.64 1qg1 n ASN 88 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qg1 n GLN 89 N -2.47 0.27 -3.61 1.20 6.02 -1.22 -5.09 117.38 112.47 1qg1 n GLN 89 Ca -0.20 -0.76 -0.37 0.00 -0.01 0.00 0.00 57.00 55.66 1qg1 n GLN 89 Cb 0.87 0.82 -0.06 0.00 1.02 0.00 0.00 30.24 32.89 1qg1 n GLN 89 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1qg1 s GLN 90 N -2.14 3.33 0.15 -1.09 -2.07 -1.26 -4.34 119.66 112.23 1qg1 s GLN 90 Ca 0.07 -3.24 0.04 0.00 -1.82 0.00 0.00 55.36 50.41 1qg1 s GLN 90 Cb -0.01 -4.00 -0.04 0.00 -1.09 0.00 0.00 33.01 27.87 1qg1 s GLN 90 CO 0.05 -1.26 0.14 0.42 -1.32 0.00 0.00 175.29 173.32 1qg1 s ILE 91 N -1.28 4.57 0.05 3.63 1.01 -1.26 -4.93 121.20 122.99 1qg1 s ILE 91 Ca 0.27 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1qg1 s ILE 91 Cb -0.08 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1qg1 s ILE 91 CO -0.12 -0.06 0.06 -0.36 0.00 0.00 0.00 174.94 174.47 1qg1 s PHE 92 N -1.68 0.32 0.35 3.97 0.40 -1.26 -1.77 117.98 118.31 1qg1 s PHE 92 Ca 0.31 -0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 1qg1 s PHE 92 Cb -0.11 -0.22 -0.11 0.00 0.51 0.00 0.00 43.02 43.09 1qg1 s PHE 92 CO 0.24 -0.40 1.48 -0.51 0.70 0.00 0.00 175.22 176.72 1qg1 s LEU 93 N -2.55 4.34 0.00 -0.37 1.43 -0.91 -4.11 118.68 116.52 1qg1 s LEU 93 Ca 0.01 2.97 0.03 0.00 -1.03 0.00 0.00 54.13 56.11 1qg1 s LEU 93 Cb 0.03 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1qg1 s LEU 93 CO -0.08 -0.83 0.10 0.54 0.23 0.00 0.00 176.35 176.32 1qg1 n ARG 94 N 0.86 0.30 -3.22 1.70 5.12 0.13 -4.52 116.66 117.03 1qg1 n ARG 94 Ca 0.02 -1.36 -0.39 0.00 -1.93 0.00 0.00 57.85 54.20 1qg1 n ARG 94 Cb 0.39 1.03 -0.06 0.00 -1.16 0.00 0.00 32.46 32.67 1qg1 n ARG 94 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1qg1 s ASP 95 N -1.96 6.94 0.22 0.55 -4.77 -1.26 -1.08 116.67 115.32 1qg1 s ASP 95 Ca 0.14 1.12 0.09 0.00 -3.30 0.00 0.00 52.55 50.61 1qg1 s ASP 95 Cb 0.01 -2.35 -0.04 0.00 -1.09 0.00 0.00 42.92 39.44 1qg1 s ASP 95 CO 0.10 0.09 -0.03 -0.63 0.70 0.00 0.00 175.17 175.40 1qg1 s ILE 96 N -0.12 3.42 0.01 2.11 1.01 -1.25 -4.57 121.20 121.82 1qg1 s ILE 96 Ca 0.31 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1qg1 s ILE 96 Cb -0.18 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1qg1 s ILE 96 CO 0.16 -0.24 0.00 -0.62 0.00 0.00 0.00 174.94 174.25 1qg1 n GLU 97 N -0.44 -0.12 0.00 2.79 -0.58 -1.26 -4.68 120.64 116.35 1qg1 n GLU 97 Ca -0.08 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1qg1 n GLU 97 Cb 0.57 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 1qg1 n GLU 97 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1qg1 n GLN 98 N -0.50 0.00 -0.90 3.49 6.02 -1.26 -4.85 117.38 119.38 1qg1 n GLN 98 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1qg1 n GLN 98 Cb 0.03 -2.05 -0.03 0.00 1.02 0.00 0.00 30.24 29.21 1qg1 n GLN 98 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1qg1 n VAL 99 N -1.88 -0.02 -2.16 5.09 0.24 -1.26 -3.87 118.33 114.47 1qg1 n VAL 99 Ca 0.00 0.21 -0.36 0.00 -2.04 0.00 0.00 64.34 62.15 1qg1 n VAL 99 Cb 0.00 -0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.92 1qg1 n VAL 99 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1qg1 n PRO 100 N -2.99 2.30 0.00 7.34 -0.04 -1.26 -4.84 135.00 135.50 1qg1 n PRO 100 Ca -0.02 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1qg1 n PRO 100 Cb 0.56 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 1qg1 n PRO 100 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1qg1 n GLN 101 N 8.07 0.00 -0.07 0.54 1.13 -1.25 -3.02 117.38 122.78 1qg1 n GLN 101 Ca 0.47 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1qg1 n GLN 101 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 1qg1 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qg1 n GLN 102 N 0.07 0.00 -2.11 -1.09 -0.00 -1.26 -5.02 117.38 107.96 1qg1 n GLN 102 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.58 1qg1 n GLN 102 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 30.24 30.04 1qg1 n GLN 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1qg1 n PRO 103 N -2.07 3.06 -0.04 2.61 -0.04 -1.17 -5.25 135.00 132.12 1qg1 n PRO 103 Ca 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 1qg1 n PRO 103 Cb 0.00 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.15 1qg1 n PRO 103 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71