#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqb s ILE 2 N 0.00 0.69 -0.63 2.02 -1.09 -1.23 -4.91 121.20 116.05 3gqb s ILE 2 Ca 0.00 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3gqb s ILE 2 Cb 0.00 -0.63 0.16 0.00 -1.58 0.00 0.00 42.46 40.41 3gqb s ILE 2 CO 0.00 0.02 0.44 -1.10 -1.23 0.00 0.00 174.94 173.06 3gqb s GLN 3 N -0.68 2.50 0.00 2.79 -1.52 -1.26 -1.22 119.66 120.26 3gqb s GLN 3 Ca -0.00 -2.68 0.00 0.00 -1.95 0.00 0.00 55.36 50.73 3gqb s GLN 3 Cb -0.05 -3.65 0.00 0.00 -0.22 0.00 0.00 33.01 29.09 3gqb s GLN 3 CO 0.00 -1.17 0.00 0.41 -0.25 0.00 0.00 175.29 174.28 3gqb n GLY 4 N 3.20 3.22 3.22 3.09 0.00 -0.24 -4.58 105.19 113.09 3gqb n GLY 4 Ca 0.09 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 3gqb n GLY 4 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqb s VAL 5 N -0.07 0.43 -0.27 1.61 -7.23 -0.61 -1.05 120.40 113.21 3gqb s VAL 5 Ca 0.00 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.92 3gqb s VAL 5 Cb 0.00 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3gqb s VAL 5 CO 0.00 -0.37 1.12 -0.63 -0.31 0.00 0.00 175.10 174.91 3gqb s ILE 6 N -3.83 4.47 -0.05 -0.62 1.01 -0.34 -0.42 121.20 121.43 3gqb s ILE 6 Ca 0.27 1.73 0.02 0.00 0.00 0.00 0.00 60.65 62.67 3gqb s ILE 6 Cb 0.07 -4.29 -0.25 0.00 0.01 0.00 0.00 42.46 37.99 3gqb s ILE 6 CO 0.05 -0.35 0.65 -0.61 0.00 0.00 0.00 174.94 174.67 3gqb h GLN 7 N 8.10 0.15 -3.06 2.79 4.15 -0.24 -0.21 115.11 126.80 3gqb h GLN 7 Ca -0.22 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 58.83 3gqb h GLN 7 Cb 1.07 0.09 -0.21 0.00 0.21 0.00 0.00 27.48 28.65 3gqb h GLN 7 CO 1.01 0.90 -0.29 0.21 -1.93 0.00 0.00 178.83 178.72 3gqb s LYS 8 N -2.59 0.63 -0.04 1.69 2.20 -1.11 -4.91 119.74 115.61 3gqb s LYS 8 Ca -0.11 -0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.34 3gqb s LYS 8 Cb 0.07 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.70 3gqb s LYS 8 CO 0.82 -0.17 0.02 0.42 -0.36 0.00 0.00 175.35 176.08 3gqb s ILE 9 N -1.20 0.10 -0.26 5.43 1.01 -1.26 -1.87 121.20 123.16 3gqb s ILE 9 Ca -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3gqb s ILE 9 Cb -0.05 -0.27 0.10 0.00 0.01 0.00 0.00 42.46 42.25 3gqb s ILE 9 CO 0.04 0.18 0.17 0.00 0.00 0.00 0.00 174.94 175.33 3gqb s ALA 10 N 1.63 0.23 0.00 9.38 0.00 -0.28 -5.04 121.76 127.69 3gqb s ALA 10 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3gqb s ALA 10 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3gqb s ALA 10 CO -0.03 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.60 3gqb n GLY 11 N 5.28 3.26 0.40 0.00 0.00 -1.26 -1.92 105.19 110.94 3gqb n GLY 11 Ca -0.05 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.81 3gqb n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqb n PRO 12 N 14.00 1.51 -3.95 1.61 -0.04 -1.26 -4.61 135.00 142.26 3gqb n PRO 12 Ca 0.00 -0.78 -0.35 0.00 -0.04 0.00 0.00 63.50 62.33 3gqb n PRO 12 Cb 0.00 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 3gqb n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gqb s ALA 13 N -1.80 3.52 -0.01 0.55 0.00 -0.81 0.65 121.76 123.88 3gqb s ALA 13 Ca 0.26 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3gqb s ALA 13 Cb 0.13 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3gqb s ALA 13 CO 0.20 0.25 -0.04 0.08 0.00 0.00 0.00 175.76 176.25 3gqb s VAL 14 N 0.12 0.36 -0.24 0.00 1.01 -0.52 -1.12 120.40 120.01 3gqb s VAL 14 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3gqb s VAL 14 Cb -0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3gqb s VAL 14 CO 0.00 0.11 0.06 -0.63 0.00 0.00 0.00 175.10 174.64 3gqb s ILE 15 N 0.04 4.27 -0.12 2.22 1.01 -0.78 0.12 121.20 127.96 3gqb s ILE 15 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3gqb s ILE 15 Cb -0.03 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3gqb s ILE 15 CO -0.00 0.36 0.11 0.00 0.00 0.00 0.00 174.94 175.40 3gqb s ALA 16 N 1.46 3.73 0.26 9.38 0.00 -0.30 0.54 121.76 136.82 3gqb s ALA 16 Ca 0.06 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.41 3gqb s ALA 16 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3gqb s ALA 16 CO 0.03 0.58 0.13 -1.59 0.00 0.00 0.00 175.76 174.91 3gqb s LYS 17 N -0.89 2.71 0.00 0.00 -2.85 0.44 -1.62 119.74 117.52 3gqb s LYS 17 Ca 0.14 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 3gqb s LYS 17 Cb -0.12 -2.43 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 3gqb s LYS 17 CO 0.03 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.27 3gqb n GLY 18 N -1.09 1.93 3.36 0.59 0.00 -0.97 -1.57 105.19 107.43 3gqb n GLY 18 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3gqb n GLY 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gqb n MET 19 N -2.00 0.86 -2.56 1.61 2.81 -1.26 -4.44 117.12 112.14 3gqb n MET 19 Ca 0.00 -1.64 -0.42 0.00 -1.81 0.00 0.00 57.70 53.83 3gqb n MET 19 Cb 0.00 -3.01 -0.03 0.00 -0.71 0.00 0.00 33.22 29.47 3gqb n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3gqb s LEU 20 N 4.01 4.34 0.00 4.03 1.43 -1.26 -3.43 118.68 127.81 3gqb s LEU 20 Ca 0.66 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 3gqb s LEU 20 Cb 0.10 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3gqb s LEU 20 CO 0.21 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3gqb n GLY 21 N 3.10 0.77 3.49 -3.19 0.00 -1.26 -4.90 105.19 103.21 3gqb n GLY 21 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3gqb n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb n ALA 22 N 0.92 -1.10 -2.56 4.61 0.00 -1.22 -5.04 120.51 116.12 3gqb n ALA 22 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 3gqb n ALA 22 Cb 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 3gqb n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb s ARG 23 N -2.60 1.15 -0.28 0.00 0.52 -1.26 -5.08 118.95 111.40 3gqb s ARG 23 Ca 0.68 -0.96 -0.41 0.00 -0.52 0.00 0.00 55.73 54.53 3gqb s ARG 23 Cb -0.39 -1.27 -0.16 0.00 0.52 0.00 0.00 34.95 33.65 3gqb s ARG 23 CO 0.55 0.31 1.71 -1.33 0.02 0.00 0.00 175.30 176.56 3gqb n MET 24 N 1.60 1.04 -0.97 3.54 2.81 -1.26 -1.56 117.12 122.31 3gqb n MET 24 Ca -0.18 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3gqb n MET 24 Cb 0.54 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 3gqb n MET 24 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3gqb n TYR 25 N 5.10 0.00 -1.96 2.03 4.02 -0.08 -4.93 117.16 121.34 3gqb n TYR 25 Ca 0.27 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.76 3gqb n TYR 25 Cb 0.11 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 3gqb n TYR 25 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3gqb s ASP 26 N -2.81 6.11 0.15 7.72 1.01 -0.60 -3.95 116.67 124.29 3gqb s ASP 26 Ca 0.00 2.73 -0.30 0.00 0.71 0.00 0.00 52.55 55.69 3gqb s ASP 26 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 3gqb s ASP 26 CO 0.00 -1.00 1.14 -0.63 0.21 0.00 0.00 175.17 174.89 3gqb s ILE 27 N -1.26 3.87 0.23 0.77 1.09 0.15 -2.57 121.20 123.48 3gqb s ILE 27 Ca 0.59 1.52 0.07 0.00 -1.10 0.00 0.00 60.65 61.74 3gqb s ILE 27 Cb -0.40 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 36.99 3gqb s ILE 27 CO 0.51 0.22 0.10 -0.44 -0.10 0.00 0.00 174.94 175.23 3gqb s SER 28 N 0.25 5.13 -0.22 3.58 0.01 0.63 0.23 113.70 123.31 3gqb s SER 28 Ca 0.52 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 3gqb s SER 28 Cb -0.30 -1.19 0.01 0.00 0.21 0.00 0.00 66.02 64.75 3gqb s SER 28 CO 0.34 0.01 -0.09 -0.54 0.41 0.00 0.00 173.24 173.37 3gqb s LYS 29 N -3.51 3.03 -0.14 12.44 1.02 0.85 -0.65 119.74 132.77 3gqb s LYS 29 Ca 0.31 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3gqb s LYS 29 Cb -0.08 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3gqb s LYS 29 CO 0.22 -0.30 -0.14 0.08 -0.92 0.00 0.00 175.35 174.29 3gqb s VAL 30 N 1.36 2.87 0.02 3.17 1.01 0.26 -1.59 120.40 127.49 3gqb s VAL 30 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3gqb s VAL 30 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3gqb s VAL 30 CO -0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3gqb n GLY 31 N 3.74 -2.22 0.19 4.51 0.00 0.29 -0.66 105.19 111.04 3gqb n GLY 31 Ca -0.18 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.35 3gqb n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gqb h GLU 32 N 0.00 0.07 0.00 1.61 5.08 -1.93 -2.36 114.58 117.05 3gqb h GLU 32 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3gqb h GLU 32 Cb 0.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3gqb h GLU 32 CO 0.00 0.42 0.00 0.39 -1.00 0.00 0.00 179.01 178.82 3gqb n GLU 33 N -4.10 0.21 -2.37 2.33 1.02 -1.26 -4.92 120.64 111.55 3gqb n GLU 33 Ca -0.02 0.34 -0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3gqb n GLU 33 Cb 0.41 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3gqb n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqb n GLY 34 N 0.51 -0.06 3.58 0.62 0.00 -0.89 -4.83 105.19 104.12 3gqb n GLY 34 Ca 0.03 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.21 3gqb n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 35 N -1.86 1.52 -4.76 0.99 4.77 0.17 -3.92 117.00 113.91 3gqb n LEU 35 Ca -0.11 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 56.62 3gqb n LEU 35 Cb 0.59 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 3gqb n LEU 35 CO 0.19 -1.34 0.70 -0.69 -1.33 0.00 0.00 177.39 174.92 3gqb s VAL 36 N -0.31 3.87 0.26 4.08 1.01 -1.26 0.91 120.40 128.96 3gqb s VAL 36 Ca 0.71 1.84 -0.15 0.00 0.00 0.00 0.00 61.98 64.38 3gqb s VAL 36 Cb -0.83 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.40 3gqb s VAL 36 CO 0.53 0.41 0.57 -0.83 0.00 0.00 0.00 175.10 175.78 3gqb s GLY 37 N -1.13 0.35 -0.08 4.51 0.00 0.18 -1.60 107.32 109.55 3gqb s GLY 37 Ca 0.43 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.48 3gqb s GLY 37 CO 0.34 -0.45 -0.18 -0.54 0.00 0.00 0.00 173.10 172.27 3gqb s GLU 38 N -3.91 2.78 -0.16 2.90 2.02 -0.72 0.23 118.70 121.84 3gqb s GLU 38 Ca 0.19 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 3gqb s GLU 38 Cb -0.03 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3gqb s GLU 38 CO 0.09 0.41 1.74 0.42 0.02 0.00 0.00 175.26 177.94 3gqb s ILE 39 N -0.21 3.51 -1.71 -1.63 1.01 -1.06 0.69 121.20 121.81 3gqb s ILE 39 Ca -0.01 0.59 0.17 0.00 0.00 0.00 0.00 60.65 61.40 3gqb s ILE 39 Cb -0.13 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.87 3gqb s ILE 39 CO 0.03 -0.19 0.92 2.30 0.00 0.00 0.00 174.94 178.01 3gqb n ILE 40 N 6.31 0.00 -3.65 2.92 -5.35 0.17 -0.90 119.36 118.85 3gqb n ILE 40 Ca 0.20 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 3gqb n ILE 40 Cb 0.44 1.24 -0.08 0.00 -1.74 0.00 0.00 39.64 39.51 3gqb n ILE 40 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3gqb s ARG 41 N -1.81 0.74 -0.20 6.28 3.52 -1.22 -4.96 118.95 121.31 3gqb s ARG 41 Ca 0.16 0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 56.67 3gqb s ARG 41 Cb 0.14 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3gqb s ARG 41 CO 0.36 -0.10 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.12 3gqb s LEU 42 N 0.48 2.53 -0.20 -0.88 1.43 -1.26 -0.85 118.68 119.93 3gqb s LEU 42 Ca -0.01 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3gqb s LEU 42 Cb -0.05 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.64 3gqb s LEU 42 CO -0.01 -0.02 -0.01 -0.62 0.23 0.00 0.00 176.35 175.92 3gqb s ASP 43 N 1.35 3.17 0.65 2.29 3.68 -0.06 -5.01 116.67 122.74 3gqb s ASP 43 Ca 0.04 -0.90 0.00 0.00 2.13 0.00 0.00 52.55 53.83 3gqb s ASP 43 Cb -0.14 -0.82 0.00 0.00 -1.45 0.00 0.00 42.92 40.51 3gqb s ASP 43 CO -0.09 -0.26 0.00 0.61 0.13 0.00 0.00 175.17 175.56 3gqb n GLY 44 N 4.91 0.40 0.47 2.66 0.00 -1.26 -0.94 105.19 111.42 3gqb n GLY 44 Ca -0.10 0.71 0.07 0.00 0.00 0.00 0.00 46.02 46.69 3gqb n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gqb n ASP 45 N 6.24 2.10 -4.06 1.61 5.75 -1.26 -4.99 116.55 121.94 3gqb n ASP 45 Ca 0.00 -3.57 -0.10 0.00 -0.01 0.00 0.00 54.79 51.11 3gqb n ASP 45 Cb 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.48 3gqb n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3gqb s THR 46 N -3.09 0.36 -0.06 2.12 -4.23 -0.12 -2.29 115.64 108.33 3gqb s THR 46 Ca 0.37 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3gqb s THR 46 Cb 0.34 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 73.36 3gqb s THR 46 CO -0.02 -0.62 -0.05 0.00 -0.54 0.00 0.00 174.62 173.39 3gqb s ALA 47 N -2.27 0.81 -0.28 3.99 0.00 -0.64 -0.88 121.76 122.49 3gqb s ALA 47 Ca -0.05 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 3gqb s ALA 47 Cb -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3gqb s ALA 47 CO -0.03 -0.13 0.95 -0.06 0.00 0.00 0.00 175.76 176.49 3gqb s PHE 48 N 1.18 3.25 -0.17 0.00 2.99 -0.03 -1.15 117.98 124.05 3gqb s PHE 48 Ca -0.07 1.17 -0.06 0.00 0.00 0.00 0.00 56.93 57.98 3gqb s PHE 48 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 43.02 39.52 3gqb s PHE 48 CO -0.01 -0.56 0.01 0.08 -0.00 0.00 0.00 175.22 174.74 3gqb s VAL 49 N 3.19 4.35 -0.39 -0.44 1.01 0.33 0.42 120.40 128.87 3gqb s VAL 49 Ca 0.40 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 3gqb s VAL 49 Cb -0.14 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3gqb s VAL 49 CO 0.10 0.48 0.43 -1.58 0.00 0.00 0.00 175.10 174.54 3gqb s GLN 50 N 0.34 3.28 -0.22 2.72 2.00 0.22 -1.43 119.66 126.56 3gqb s GLN 50 Ca -0.00 -0.59 -0.26 0.00 -2.00 0.00 0.00 55.36 52.50 3gqb s GLN 50 Cb -0.13 -3.91 -0.00 0.00 0.80 0.00 0.00 33.01 29.77 3gqb s GLN 50 CO 0.01 -0.75 0.88 0.08 -0.50 0.00 0.00 175.29 175.01 3gqb s VAL 51 N 2.16 4.81 0.63 1.34 1.01 0.21 -1.76 120.40 128.81 3gqb s VAL 51 Ca 0.13 1.70 0.36 0.00 0.00 0.00 0.00 61.98 64.17 3gqb s VAL 51 Cb -0.17 -4.17 0.39 0.00 0.00 0.00 0.00 36.38 32.43 3gqb s VAL 51 CO 0.13 -0.08 2.23 1.88 0.00 0.00 0.00 175.10 179.27 3gqb h TYR 52 N 7.54 0.00 -1.94 5.22 0.99 -1.60 -3.45 116.97 123.73 3gqb h TYR 52 Ca -0.24 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.92 3gqb h TYR 52 Cb 1.09 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.69 3gqb h TYR 52 CO 0.74 0.00 -0.57 -1.83 -0.00 0.00 0.00 178.16 176.50 3gqb s GLU 53 N -4.35 1.90 0.03 4.88 -1.05 -1.26 -4.66 118.70 114.18 3gqb s GLU 53 Ca -0.05 -2.12 -0.31 0.00 -0.15 0.00 0.00 54.97 52.34 3gqb s GLU 53 Cb 0.13 -1.19 -0.10 0.00 -0.44 0.00 0.00 34.13 32.53 3gqb s GLU 53 CO 0.45 -0.23 1.93 -3.47 0.95 0.00 0.00 175.26 174.89 3gqb n ASP 54 N -0.99 4.00 -0.05 0.83 4.64 -1.26 -4.89 116.55 118.83 3gqb n ASP 54 Ca -0.07 0.93 0.14 0.00 -1.38 0.00 0.00 54.79 54.41 3gqb n ASP 54 Cb 0.67 -1.50 0.57 0.00 -1.04 0.00 0.00 41.12 39.81 3gqb n ASP 54 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3gqb n THR 55 N 5.30 0.00 -1.72 5.18 -2.24 -1.26 -4.96 114.28 114.58 3gqb n THR 55 Ca 0.20 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 3gqb n THR 55 Cb 0.38 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 3gqb n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gqb n SER 56 N -1.25 3.97 0.00 3.42 3.41 -1.26 -1.72 113.62 120.19 3gqb n SER 56 Ca 0.11 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 3gqb n SER 56 Cb 0.30 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 3gqb n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqb n GLY 57 N 3.56 2.83 3.76 5.00 0.00 -1.26 -5.08 105.19 114.00 3gqb n GLY 57 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3gqb n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 58 N 0.00 4.00 0.05 0.99 1.43 -0.70 -5.03 118.68 119.41 3gqb s LEU 58 Ca 0.00 2.57 0.07 0.00 -1.03 0.00 0.00 54.13 55.74 3gqb s LEU 58 Cb 0.00 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 3gqb s LEU 58 CO 0.00 -1.16 -0.18 -0.54 0.23 0.00 0.00 176.35 174.71 3gqb s LYS 59 N -2.67 2.07 0.24 1.70 1.02 -1.26 -5.05 119.74 115.79 3gqb s LYS 59 Ca 0.65 -0.99 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 3gqb s LYS 59 Cb -0.35 -2.19 -0.14 0.00 -0.52 0.00 0.00 37.83 34.62 3gqb s LYS 59 CO 0.43 0.54 1.25 0.28 -0.92 0.00 0.00 175.35 176.93 3gqb n VAL 60 N 1.50 1.25 0.00 3.17 0.31 -1.26 -3.05 118.33 120.24 3gqb n VAL 60 Ca -0.16 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3gqb n VAL 60 Cb 0.52 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 3gqb n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqb n GLY 61 N 1.79 2.18 3.73 2.92 0.00 -0.09 -4.96 105.19 110.76 3gqb n GLY 61 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3gqb n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 62 N -0.44 1.86 0.61 1.61 2.02 -1.17 -4.47 118.70 118.71 3gqb s GLU 62 Ca 0.00 1.33 -0.18 0.00 0.02 0.00 0.00 54.97 56.14 3gqb s GLU 62 Cb 0.00 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 3gqb s GLU 62 CO 0.00 -1.97 1.17 -2.14 0.02 0.00 0.00 175.26 172.34 3gqb s PRO 63 N -4.74 2.96 -0.03 0.39 0.02 -1.26 -1.19 135.00 131.15 3gqb s PRO 63 Ca 0.64 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 3gqb s PRO 63 Cb -0.20 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3gqb s PRO 63 CO 0.56 -1.18 0.05 0.08 -0.33 0.00 0.00 177.00 176.17 3gqb s VAL 64 N -1.82 -0.05 -0.05 3.83 1.01 -0.22 -0.55 120.40 122.55 3gqb s VAL 64 Ca 0.74 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 3gqb s VAL 64 Cb -0.27 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3gqb s VAL 64 CO 0.34 0.08 0.13 0.68 0.00 0.00 0.00 175.10 176.33 3gqb s VAL 65 N 0.99 -0.02 0.08 2.92 -7.23 -0.62 -1.08 120.40 115.43 3gqb s VAL 65 Ca -0.08 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 59.94 3gqb s VAL 65 Cb -0.12 -0.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.56 3gqb s VAL 65 CO -0.03 0.03 0.65 -0.55 -0.31 0.00 0.00 175.10 174.89 3gqb s SER 66 N 0.51 7.14 0.00 4.85 0.15 -0.36 -0.11 113.70 125.89 3gqb s SER 66 Ca -0.04 1.36 0.28 0.00 0.70 0.00 0.00 55.95 58.25 3gqb s SER 66 Cb -0.05 -2.41 1.06 0.00 -1.71 0.00 0.00 66.02 62.91 3gqb s SER 66 CO -0.02 0.19 1.80 1.07 1.20 0.00 0.00 173.24 177.48 3gqb n THR 67 N 2.02 0.00 -0.96 6.45 5.66 0.14 -3.50 114.28 124.09 3gqb n THR 67 Ca -0.08 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3gqb n THR 67 Cb 0.50 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 3gqb n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gqb n GLY 68 N 1.49 0.48 2.99 1.09 0.00 -1.26 -4.60 105.19 105.39 3gqb n GLY 68 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3gqb n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqb s LEU 69 N 0.00 1.71 1.11 0.99 1.43 -1.26 -4.90 118.68 117.77 3gqb s LEU 69 Ca 0.00 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 3gqb s LEU 69 Cb 0.00 0.35 0.25 0.00 0.03 0.00 0.00 46.19 46.82 3gqb s LEU 69 CO 0.00 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.40 3gqb s PRO 70 N -0.42 -0.52 0.10 1.29 0.04 -1.26 0.33 135.00 134.56 3gqb s PRO 70 Ca -0.05 0.12 -0.33 0.00 0.04 0.00 0.00 61.00 60.78 3gqb s PRO 70 Cb -0.03 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.73 3gqb s PRO 70 CO 0.00 -3.28 1.76 -0.11 0.04 0.00 0.00 177.00 175.41 3gqb n LEU 71 N -4.49 3.65 -4.36 -3.56 7.94 -1.25 -4.67 117.00 110.26 3gqb n LEU 71 Ca 0.10 1.02 -0.18 0.00 -1.11 0.00 0.00 56.01 55.83 3gqb n LEU 71 Cb 0.59 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 3gqb n LEU 71 CO 0.50 -0.00 -0.24 0.00 -1.11 0.00 0.00 177.39 176.54 3gqb s ALA 72 N 2.35 1.98 0.06 1.96 0.00 -1.26 -1.84 121.76 125.00 3gqb s ALA 72 Ca 0.83 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 51.02 3gqb s ALA 72 Cb -0.58 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3gqb s ALA 72 CO 0.40 -0.44 -0.16 0.54 0.00 0.00 0.00 175.76 176.11 3gqb s VAL 73 N -3.61 1.23 -0.20 0.00 0.11 -0.58 -4.86 120.40 112.50 3gqb s VAL 73 Ca 0.36 -1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 3gqb s VAL 73 Cb 0.07 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 3gqb s VAL 73 CO 0.15 -0.09 0.40 -1.61 -3.33 0.00 0.00 175.10 170.62 3gqb s GLU 74 N -1.51 4.17 -0.32 1.54 2.02 -1.26 -1.88 118.70 121.46 3gqb s GLU 74 Ca 0.01 0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.23 3gqb s GLU 74 Cb -0.09 -3.54 0.09 0.00 0.10 0.00 0.00 34.13 30.68 3gqb s GLU 74 CO 0.02 -0.05 0.02 -0.51 0.02 0.00 0.00 175.26 174.75 3gqb s LEU 75 N 1.36 4.40 0.00 1.80 1.43 0.12 -4.91 118.68 122.88 3gqb s LEU 75 Ca 0.19 -1.89 -0.00 0.00 -1.03 0.00 0.00 54.13 51.39 3gqb s LEU 75 Cb -0.15 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3gqb s LEU 75 CO 0.08 -0.34 0.02 0.61 0.23 0.00 0.00 176.35 176.96 3gqb n GLY 76 N 4.35 0.92 3.75 -3.19 0.00 -1.26 -1.95 105.19 107.81 3gqb n GLY 76 Ca -0.02 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3gqb n GLY 76 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gqb s PRO 77 N -2.00 4.43 0.00 1.61 0.02 -1.26 -4.28 135.00 133.52 3gqb s PRO 77 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.08 3gqb s PRO 77 Cb -0.00 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3gqb s PRO 77 CO 0.00 -0.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 3gqb n GLY 78 N 1.67 -0.19 0.13 0.52 0.00 -1.26 -4.75 105.19 101.31 3gqb n GLY 78 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3gqb n GLY 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gqb n MET 79 N 0.00 0.70 -1.57 1.61 2.81 -1.26 -4.72 117.12 114.68 3gqb n MET 79 Ca 0.00 0.22 -0.37 0.00 -1.81 0.00 0.00 57.70 55.74 3gqb n MET 79 Cb 0.00 -1.61 0.06 0.00 -0.71 0.00 0.00 33.22 30.96 3gqb n MET 79 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gqb n LEU 80 N -3.43 3.92 0.00 4.03 4.77 -1.26 -0.47 117.00 124.57 3gqb n LEU 80 Ca -0.39 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3gqb n LEU 80 Cb 1.01 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3gqb n LEU 80 CO 0.33 -1.84 0.00 -3.20 -1.33 0.00 0.00 177.39 171.35 3gqb n ASN 81 N -1.12 -3.80 -4.92 -1.43 5.15 -0.50 -4.94 115.26 103.69 3gqb n ASN 81 Ca 0.14 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.86 3gqb n ASN 81 Cb 0.48 -2.55 -0.02 0.00 -0.53 0.00 0.00 39.78 37.16 3gqb n ASN 81 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3gqb s GLY 82 N -1.44 1.60 -0.29 8.20 0.00 0.38 -5.01 107.32 110.77 3gqb s GLY 82 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.00 3gqb s GLY 82 CO 0.00 -0.65 0.03 -0.42 0.00 0.00 0.00 173.10 172.07 3gqb s ILE 83 N -2.21 1.55 0.18 0.90 1.01 -1.26 -2.44 121.20 118.92 3gqb s ILE 83 Ca 0.42 -1.64 0.06 0.00 0.00 0.00 0.00 60.65 59.48 3gqb s ILE 83 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3gqb s ILE 83 CO 0.34 -0.46 0.12 -0.31 0.00 0.00 0.00 174.94 174.62 3gqb s TYR 84 N 1.31 3.09 0.96 3.97 2.02 -0.23 -0.98 117.35 127.50 3gqb s TYR 84 Ca 0.05 -0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.55 3gqb s TYR 84 Cb -0.18 -1.47 0.21 0.00 -0.40 0.00 0.00 41.96 40.11 3gqb s TYR 84 CO -0.13 0.52 1.31 0.16 -1.57 0.00 0.00 175.55 175.84 3gqb s ASP 85 N -3.16 3.07 0.00 2.29 1.47 -0.21 -0.03 116.67 120.09 3gqb s ASP 85 Ca 0.31 0.14 0.02 0.00 1.18 0.00 0.00 52.55 54.19 3gqb s ASP 85 Cb -0.10 -0.15 0.10 0.00 -0.34 0.00 0.00 42.92 42.43 3gqb s ASP 85 CO 0.23 -2.75 0.99 0.61 0.68 0.00 0.00 175.17 174.93 3gqb n GLY 86 N -3.73 -0.49 2.18 2.12 0.00 -1.26 -1.52 105.19 102.49 3gqb n GLY 86 Ca 0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3gqb n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gqb n ILE 87 N -1.41 2.21 -3.70 -0.61 -5.35 -1.26 -2.43 119.36 106.80 3gqb n ILE 87 Ca 0.01 -3.87 -0.23 0.00 -0.27 0.00 0.00 62.75 58.39 3gqb n ILE 87 Cb 0.02 -0.53 0.04 0.00 -1.74 0.00 0.00 39.64 37.43 3gqb n ILE 87 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3gqb n GLN 88 N -0.68 -5.46 -4.91 6.28 7.27 -0.57 -5.01 117.38 114.29 3gqb n GLN 88 Ca 0.34 0.66 -0.33 0.00 0.07 0.00 0.00 57.00 57.75 3gqb n GLN 88 Cb 0.93 -5.37 -0.14 0.00 2.41 0.00 0.00 30.24 28.06 3gqb n GLN 88 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gqb s ARG 89 N -6.04 2.84 -0.19 3.69 0.52 -1.26 -4.11 118.95 114.40 3gqb s ARG 89 Ca 0.16 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 3gqb s ARG 89 Cb -0.08 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 3gqb s ARG 89 CO 0.80 0.43 1.24 -1.25 0.02 0.00 0.00 175.30 176.54 3gqb s PRO 90 N -0.24 4.20 0.31 3.54 0.04 -1.26 -1.05 135.00 140.54 3gqb s PRO 90 Ca 0.01 1.59 0.16 0.00 0.04 0.00 0.00 61.00 62.80 3gqb s PRO 90 Cb -0.13 -3.76 0.32 0.00 0.04 0.00 0.00 34.50 30.96 3gqb s PRO 90 CO 0.03 -0.74 1.56 -0.07 0.04 0.00 0.00 177.00 177.82 3gqb h LEU 91 N 9.81 0.00 0.23 -3.56 3.38 -1.40 -2.67 115.31 121.10 3gqb h LEU 91 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3gqb h LEU 91 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gqb h LEU 91 CO 0.98 0.49 -0.11 -0.33 0.09 0.00 0.00 178.44 179.56 3gqb h GLU 92 N 0.00 -0.30 -0.62 1.13 4.39 -1.90 -0.80 114.58 116.48 3gqb h GLU 92 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3gqb h GLU 92 Cb 1.20 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3gqb h GLU 92 CO 0.06 -0.12 0.39 0.00 -1.16 0.00 0.00 179.01 178.19 3gqb h ARG 93 N -0.41 0.83 -0.12 2.33 2.47 -1.92 -1.51 114.38 116.05 3gqb h ARG 93 Ca -0.03 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3gqb h ARG 93 Cb 0.32 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3gqb h ARG 93 CO 0.05 0.57 0.03 0.82 0.56 0.00 0.00 179.97 182.01 3gqb h ILE 94 N 0.85 1.18 -0.12 2.04 2.04 -1.25 0.79 117.51 123.04 3gqb h ILE 94 Ca 0.23 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3gqb h ILE 94 Cb -0.06 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 3gqb h ILE 94 CO -0.05 0.16 -0.28 -0.09 0.00 0.00 0.00 178.15 177.89 3gqb h ARG 95 N 0.00 -0.35 -0.91 2.37 2.43 -0.51 0.34 114.38 117.75 3gqb h ARG 95 Ca 0.04 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 3gqb h ARG 95 Cb 0.23 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.77 3gqb h ARG 95 CO -0.00 -0.23 0.53 0.93 -1.51 0.00 0.00 179.97 179.68 3gqb h GLU 96 N -0.36 0.77 0.01 0.20 5.08 -1.12 1.36 114.58 120.52 3gqb h GLU 96 Ca 0.10 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 3gqb h GLU 96 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3gqb h GLU 96 CO -0.32 0.51 -0.86 0.87 -1.00 0.00 0.00 179.01 178.20 3gqb h LYS 97 N 0.79 0.09 0.00 2.33 1.57 0.44 -3.41 116.57 118.38 3gqb h LYS 97 Ca 0.47 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3gqb h LYS 97 Cb 0.57 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gqb h LYS 97 CO -0.31 0.89 -0.45 0.25 -0.57 0.00 0.00 179.45 179.26 3gqb n THR 98 N -3.59 0.00 0.00 -0.16 -2.24 0.11 -5.08 114.28 103.32 3gqb n THR 98 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3gqb n THR 98 Cb 0.81 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3gqb n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqb n GLY 99 N 1.21 -0.08 0.22 3.38 0.00 0.46 -4.57 105.19 105.82 3gqb n GLY 99 Ca 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 3gqb n GLY 99 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gqb h ILE 100 N 0.00 1.27 -2.55 -0.61 3.07 -1.95 -3.40 117.51 113.34 3gqb h ILE 100 Ca 0.00 -1.27 -0.54 0.00 1.55 0.00 0.00 64.86 64.60 3gqb h ILE 100 Cb 0.00 1.45 -0.03 0.00 -0.27 0.00 0.00 36.82 37.97 3gqb h ILE 100 CO 0.00 0.39 -0.47 -0.31 -1.05 0.00 0.00 178.15 176.71 3gqb s TYR 101 N -4.41 3.47 -0.37 0.16 1.51 -1.26 -5.07 117.35 111.38 3gqb s TYR 101 Ca -0.06 0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.93 3gqb s TYR 101 Cb 0.14 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 3gqb s TYR 101 CO 0.77 0.51 0.51 0.42 -1.11 0.00 0.00 175.55 176.65 3gqb s ILE 102 N -1.75 5.01 0.11 2.71 1.01 -1.26 -4.90 121.20 122.14 3gqb s ILE 102 Ca 0.34 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 3gqb s ILE 102 Cb -0.11 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3gqb s ILE 102 CO 0.28 -0.29 0.82 -0.89 0.00 0.00 0.00 174.94 174.87 3gqb s THR 103 N 2.38 4.52 0.67 2.92 2.01 -1.26 -5.05 115.64 121.83 3gqb s THR 103 Ca 0.18 1.78 -0.14 0.00 0.31 0.00 0.00 61.69 63.81 3gqb s THR 103 Cb -0.16 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.18 3gqb s THR 103 CO 0.14 0.41 1.11 0.00 -0.69 0.00 0.00 174.62 175.59 3gqb s ARG 104 N -0.47 2.74 -0.72 4.92 1.70 -1.26 -3.91 118.95 121.94 3gqb s ARG 104 Ca 0.40 1.36 0.00 0.00 -0.47 0.00 0.00 55.73 57.02 3gqb s ARG 104 Cb -0.22 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.21 3gqb s ARG 104 CO 0.26 -1.29 0.00 0.41 -1.08 0.00 0.00 175.30 173.60 3gqb n GLY 105 N -0.62 0.88 3.71 3.88 0.00 -1.26 -5.00 105.19 106.78 3gqb n GLY 105 Ca 0.10 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3gqb n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqb s VAL 106 N -2.14 4.38 -0.58 1.61 1.01 -1.25 -4.94 120.40 118.48 3gqb s VAL 106 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.70 3gqb s VAL 106 Cb 0.00 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.43 3gqb s VAL 106 CO 0.00 0.12 0.36 0.54 0.00 0.00 0.00 175.10 176.12 3gqb s VAL 107 N 1.16 3.06 0.53 2.92 0.11 -1.26 -5.06 120.40 121.86 3gqb s VAL 107 Ca 0.56 -3.30 0.07 0.00 -2.93 0.00 0.00 61.98 56.38 3gqb s VAL 107 Cb -0.26 -3.05 0.04 0.00 -1.53 0.00 0.00 36.38 31.58 3gqb s VAL 107 CO 0.28 -0.85 0.49 0.68 -3.33 0.00 0.00 175.10 172.36 3gqb s VAL 108 N -0.35 1.90 -0.06 2.04 -7.23 -1.26 -5.15 120.40 110.29 3gqb s VAL 108 Ca 0.18 -1.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 3gqb s VAL 108 Cb -0.22 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 3gqb s VAL 108 CO -0.03 0.00 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.52 3gqb s HIS 109 N -2.71 2.47 0.23 2.82 3.76 -1.26 -4.94 115.29 115.66 3gqb s HIS 109 Ca 0.42 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.58 3gqb s HIS 109 Cb -0.03 -1.61 0.41 0.00 1.11 0.00 0.00 32.58 32.46 3gqb s HIS 109 CO 0.26 -0.20 1.71 0.00 -0.85 0.00 0.00 174.74 175.66 3gqb h ALA 110 N 6.05 0.92 -3.16 -1.40 0.00 -1.97 -3.38 119.26 116.31 3gqb h ALA 110 Ca -0.32 0.14 -0.64 0.00 0.00 0.00 0.00 54.91 54.08 3gqb h ALA 110 Cb 1.18 0.16 -0.23 0.00 0.00 0.00 0.00 17.79 18.90 3gqb h ALA 110 CO 0.48 -0.28 -0.67 -0.51 0.00 0.00 0.00 179.25 178.26 3gqb s LEU 111 N -10.51 3.22 0.01 0.00 1.02 -1.26 -4.76 118.68 106.39 3gqb s LEU 111 Ca -0.13 -0.20 -0.34 0.00 0.02 0.00 0.00 54.13 53.49 3gqb s LEU 111 Cb 0.20 -1.80 -0.12 0.00 0.02 0.00 0.00 46.19 44.48 3gqb s LEU 111 CO 0.75 0.09 1.79 -0.67 0.02 0.00 0.00 176.35 178.32 3gqb n ASP 112 N 4.09 3.40 0.01 2.29 2.03 -1.26 -4.88 116.55 122.23 3gqb n ASP 112 Ca -0.17 1.01 0.13 0.00 0.52 0.00 0.00 54.79 56.27 3gqb n ASP 112 Cb 0.52 -1.40 0.35 0.00 -0.72 0.00 0.00 41.12 39.86 3gqb n ASP 112 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gqb n ARG 113 N 5.58 0.05 -0.01 -0.67 5.12 -1.26 -4.26 116.66 121.21 3gqb n ARG 113 Ca 0.20 0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.93 3gqb n ARG 113 Cb 0.30 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 29.93 3gqb n ARG 113 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gqb n GLU 114 N -1.61 0.74 -1.68 5.56 -0.58 -1.26 -4.67 120.64 117.15 3gqb n GLU 114 Ca 0.06 0.25 -0.45 0.00 -0.42 0.00 0.00 57.16 56.60 3gqb n GLU 114 Cb 0.35 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 3gqb n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3gqb n LYS 115 N -3.47 2.10 -3.37 3.49 4.81 -1.26 -4.90 118.16 115.56 3gqb n LYS 115 Ca -0.34 0.75 -0.38 0.00 -0.87 0.00 0.00 58.31 57.47 3gqb n LYS 115 Cb 1.03 -2.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 3gqb n LYS 115 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3gqb s LYS 116 N -0.25 4.23 0.09 1.64 -0.14 -1.26 -4.25 119.74 119.79 3gqb s LYS 116 Ca 0.69 0.44 0.09 0.00 -1.36 0.00 0.00 55.97 55.83 3gqb s LYS 116 Cb -0.64 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.10 3gqb s LYS 116 CO 0.48 0.33 -0.20 -1.58 -0.76 0.00 0.00 175.35 173.62 3gqb s TRP 117 N 0.08 2.50 -0.97 3.18 0.52 0.54 -4.85 118.94 119.93 3gqb s TRP 117 Ca 0.25 -0.29 -0.17 0.00 0.02 0.00 0.00 56.10 55.92 3gqb s TRP 117 Cb -0.16 -1.38 0.16 0.00 -1.15 0.00 0.00 33.47 30.94 3gqb s TRP 117 CO 0.11 0.31 1.13 0.00 0.02 0.00 0.00 176.95 178.53 3gqb s ALA 118 N -1.03 3.64 0.10 0.98 0.00 -1.26 -0.50 121.76 123.69 3gqb s ALA 118 Ca 0.16 -3.00 -0.31 0.00 0.00 0.00 0.00 51.96 48.81 3gqb s ALA 118 Cb -0.10 -3.97 -0.11 0.00 0.00 0.00 0.00 23.12 18.94 3gqb s ALA 118 CO 0.07 -2.82 1.86 1.87 0.00 0.00 0.00 175.76 176.75 3gqb n TRP 119 N 5.87 2.60 -4.03 0.00 -0.00 -0.25 -4.24 117.44 117.39 3gqb n TRP 119 Ca 0.25 -0.18 -0.32 0.00 -0.00 0.00 0.00 57.50 57.25 3gqb n TRP 119 Cb 0.47 -2.74 -0.15 0.00 -0.00 0.00 0.00 31.31 28.89 3gqb n TRP 119 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3gqb s THR 120 N 3.02 2.33 0.46 5.87 2.01 -0.10 -2.57 115.64 126.66 3gqb s THR 120 Ca 0.83 -1.81 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 3gqb s THR 120 Cb -0.48 -2.47 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 3gqb s THR 120 CO 0.38 -0.21 1.15 -2.16 -0.69 0.00 0.00 174.62 173.10 3gqb s PRO 121 N 1.07 3.79 -0.07 4.92 0.04 -1.26 -0.47 135.00 143.01 3gqb s PRO 121 Ca -0.03 1.74 0.10 0.00 0.04 0.00 0.00 61.00 62.85 3gqb s PRO 121 Cb -0.20 -2.41 0.15 0.00 0.04 0.00 0.00 34.50 32.09 3gqb s PRO 121 CO -0.05 -0.52 1.07 -1.33 0.04 0.00 0.00 177.00 176.20 3gqb n MET 122 N -0.47 0.76 -3.93 4.56 2.81 0.94 -4.88 117.12 116.91 3gqb n MET 122 Ca 0.07 -1.83 -0.10 0.00 -1.81 0.00 0.00 57.70 54.03 3gqb n MET 122 Cb 0.48 -1.04 -0.11 0.00 -0.71 0.00 0.00 33.22 31.85 3gqb n MET 122 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gqb s VAL 123 N -1.54 0.09 0.38 2.03 -7.23 -1.17 -4.87 120.40 108.10 3gqb s VAL 123 Ca 0.17 -0.77 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3gqb s VAL 123 Cb 0.15 -0.33 -0.06 0.00 0.56 0.00 0.00 36.38 36.70 3gqb s VAL 123 CO 0.02 -0.43 0.07 -0.54 -0.31 0.00 0.00 175.10 173.91 3gqb s LYS 124 N -1.37 2.10 0.76 4.82 1.02 -1.26 -4.94 119.74 120.88 3gqb s LYS 124 Ca -0.15 -1.86 -0.15 0.00 0.02 0.00 0.00 55.97 53.83 3gqb s LYS 124 Cb -0.09 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 3gqb s LYS 124 CO 0.00 0.01 1.13 -2.30 -0.92 0.00 0.00 175.35 173.27 3gqb n PRO 125 N -1.05 0.40 0.00 -1.68 -0.02 -1.26 -2.27 135.00 129.11 3gqb n PRO 125 Ca -0.03 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3gqb n PRO 125 Cb 0.64 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3gqb n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqb n GLY 126 N 0.78 2.98 3.77 -1.23 0.00 0.89 -4.95 105.19 107.43 3gqb n GLY 126 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3gqb n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqb s ASP 127 N -1.58 6.18 -0.08 1.61 1.11 -0.96 -4.69 116.67 118.26 3gqb s ASP 127 Ca 0.00 2.78 -0.14 0.00 0.18 0.00 0.00 52.55 55.37 3gqb s ASP 127 Cb 0.00 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 3gqb s ASP 127 CO 0.00 -0.95 0.34 -1.61 1.18 0.00 0.00 175.17 174.13 3gqb s GLU 128 N -2.28 4.00 -0.02 8.23 0.41 -1.26 -0.72 118.70 127.06 3gqb s GLU 128 Ca 0.58 0.25 0.05 0.00 -0.41 0.00 0.00 54.97 55.43 3gqb s GLU 128 Cb -0.41 -3.30 -0.01 0.00 -1.78 0.00 0.00 34.13 28.63 3gqb s GLU 128 CO 0.53 0.50 -0.16 0.14 -0.49 0.00 0.00 175.26 175.78 3gqb s VAL 129 N -0.40 1.29 0.30 2.63 -7.23 -0.61 -4.99 120.40 111.39 3gqb s VAL 129 Ca 0.21 -0.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.79 3gqb s VAL 129 Cb -0.15 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 3gqb s VAL 129 CO 0.09 0.37 0.01 -0.13 -0.31 0.00 0.00 175.10 175.12 3gqb s ARG 130 N -0.21 2.18 0.38 4.82 1.81 -1.26 -2.20 118.95 124.47 3gqb s ARG 130 Ca 0.03 -1.58 -0.26 0.00 -1.72 0.00 0.00 55.73 52.20 3gqb s ARG 130 Cb -0.08 -2.05 -0.11 0.00 -0.45 0.00 0.00 34.95 32.25 3gqb s ARG 130 CO 0.00 0.25 1.08 0.41 -0.68 0.00 0.00 175.30 176.36 3gqb n GLY 131 N -0.93 -0.01 1.87 -3.53 0.00 -0.61 -2.61 105.19 99.37 3gqb n GLY 131 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gqb n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 132 N 1.08 2.42 3.80 -0.02 0.00 0.25 -4.58 105.19 108.14 3gqb n GLY 132 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3gqb n GLY 132 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqb s MET 133 N -0.46 2.79 -0.09 1.61 -1.94 -1.07 -3.71 119.30 116.41 3gqb s MET 133 Ca 0.00 1.07 -0.25 0.00 -1.71 0.00 0.00 55.69 54.80 3gqb s MET 133 Cb 0.00 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.85 3gqb s MET 133 CO 0.00 -1.22 0.79 0.08 -0.01 0.00 0.00 175.02 174.66 3gqb s VAL 134 N -2.89 4.96 -0.08 -6.03 1.01 -1.26 -1.83 120.40 114.28 3gqb s VAL 134 Ca 0.60 1.61 0.03 0.00 0.00 0.00 0.00 61.98 64.22 3gqb s VAL 134 Cb -0.15 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 3gqb s VAL 134 CO 0.52 0.15 0.53 -0.07 0.00 0.00 0.00 175.10 176.24 3gqb h LEU 135 N 7.35 0.21 0.00 3.92 3.38 -0.87 -3.45 115.31 125.85 3gqb h LEU 135 Ca -0.37 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3gqb h LEU 135 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3gqb h LEU 135 CO 0.78 1.42 0.00 0.61 0.09 0.00 0.00 178.44 181.35 3gqb n GLY 136 N 1.77 -1.22 3.11 0.83 0.00 -1.25 -0.04 105.19 108.38 3gqb n GLY 136 Ca -0.24 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 3gqb n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gqb s THR 137 N -3.00 0.53 -0.16 2.61 -1.32 0.37 -0.63 115.64 114.05 3gqb s THR 137 Ca 0.00 -1.54 -0.08 0.00 -1.21 0.00 0.00 61.69 58.86 3gqb s THR 137 Cb 0.00 -1.18 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 3gqb s THR 137 CO 0.00 -0.69 0.38 -0.69 -2.21 0.00 0.00 174.62 171.41 3gqb s VAL 138 N -2.71 -0.13 0.21 5.08 1.01 -0.46 -0.92 120.40 122.47 3gqb s VAL 138 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3gqb s VAL 138 Cb -0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 3gqb s VAL 138 CO -0.03 0.05 1.39 -2.16 0.00 0.00 0.00 175.10 174.35 3gqb s PRO 139 N 1.60 4.32 -0.29 2.72 0.04 -1.26 -2.23 135.00 139.90 3gqb s PRO 139 Ca -0.08 2.18 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3gqb s PRO 139 Cb -0.09 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.37 3gqb s PRO 139 CO -0.12 -0.37 0.06 -2.00 0.04 0.00 0.00 177.00 174.61 3gqb s GLU 140 N -0.00 0.96 4.63 4.56 2.12 0.05 -4.82 118.70 126.21 3gqb s GLU 140 Ca 0.60 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.83 3gqb s GLU 140 Cb -0.39 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.72 3gqb s GLU 140 CO 0.39 -0.87 0.00 1.19 -0.54 0.00 0.00 175.26 175.43 3gqb n PHE 141 N 4.76 0.00 0.06 5.30 3.01 -1.26 -0.59 117.46 128.74 3gqb n PHE 141 Ca -0.04 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.42 3gqb n PHE 141 Cb 0.43 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.84 3gqb n PHE 141 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gqb h GLY 142 N 0.00 0.00 -3.87 1.37 0.00 -1.97 -3.48 103.07 95.12 3gqb h GLY 142 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3gqb h GLY 142 CO 0.00 0.00 0.04 -1.36 0.00 0.00 0.00 176.54 175.22 3gqb s PHE 143 N -2.90 3.66 -1.06 5.60 2.99 0.24 -4.99 117.98 121.52 3gqb s PHE 143 Ca -0.01 1.29 -0.16 0.00 0.00 0.00 0.00 56.93 58.05 3gqb s PHE 143 Cb 0.08 -2.54 0.15 0.00 0.00 0.00 0.00 43.02 40.71 3gqb s PHE 143 CO 0.79 0.39 1.27 0.99 -0.00 0.00 0.00 175.22 178.66 3gqb s THR 144 N -1.46 4.89 0.11 0.64 2.01 -1.26 -0.77 115.64 119.80 3gqb s THR 144 Ca 0.40 -2.09 -0.31 0.00 0.31 0.00 0.00 61.69 60.00 3gqb s THR 144 Cb -0.17 -4.84 -0.09 0.00 0.01 0.00 0.00 72.50 67.41 3gqb s THR 144 CO 0.20 -1.55 1.69 -2.28 -0.69 0.00 0.00 174.62 171.99 3gqb s HIS 145 N 2.12 2.51 -0.08 4.92 2.46 -0.95 -4.87 115.29 121.41 3gqb s HIS 145 Ca 0.37 0.29 -0.14 0.00 0.47 0.00 0.00 55.06 56.05 3gqb s HIS 145 Cb -0.04 -4.03 -0.05 0.00 -0.13 0.00 0.00 32.58 28.33 3gqb s HIS 145 CO -0.05 -4.08 0.34 0.15 -2.47 0.00 0.00 174.74 168.63 3gqb s LYS 146 N 2.27 3.99 -0.25 2.88 1.02 -1.26 -1.36 119.74 127.03 3gqb s LYS 146 Ca 0.75 0.25 -0.21 0.00 0.02 0.00 0.00 55.97 56.78 3gqb s LYS 146 Cb -0.43 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 3gqb s LYS 146 CO 0.33 0.52 0.67 0.42 -0.92 0.00 0.00 175.35 176.37 3gqb s ILE 147 N -0.45 4.96 0.00 2.17 -1.09 0.20 -4.98 121.20 122.01 3gqb s ILE 147 Ca 0.21 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 3gqb s ILE 147 Cb -0.15 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3gqb s ILE 147 CO 0.09 0.01 0.06 -0.76 -1.23 0.00 0.00 174.94 173.11 3gqb s LEU 148 N 2.54 3.79 0.14 2.97 1.43 -1.26 -0.11 118.68 128.18 3gqb s LEU 148 Ca 0.28 0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 3gqb s LEU 148 Cb -0.15 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 3gqb s LEU 148 CO 0.08 0.27 1.51 -0.69 0.23 0.00 0.00 176.35 177.75 3gqb s VAL 149 N -1.18 2.87 0.47 -1.59 1.01 -0.76 -4.88 120.40 116.32 3gqb s VAL 149 Ca 0.23 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.60 3gqb s VAL 149 Cb -0.12 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 3gqb s VAL 149 CO 0.14 0.05 0.86 -2.65 0.00 0.00 0.00 175.10 173.49 3gqb n PRO 150 N 4.02 1.03 -1.17 2.72 -0.02 -1.26 -0.59 135.00 139.73 3gqb n PRO 150 Ca 0.13 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 3gqb n PRO 150 Cb 0.40 -1.92 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 3gqb n PRO 150 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gqb s PRO 151 N -2.06 1.78 0.00 0.52 0.02 -1.26 -2.19 135.00 131.80 3gqb s PRO 151 Ca 0.66 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3gqb s PRO 151 Cb -0.53 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3gqb s PRO 151 CO 0.55 -2.08 0.00 -0.25 -0.33 0.00 0.00 177.00 174.89 3gqb n ASP 152 N -3.30 0.00 -4.87 2.53 8.00 -1.26 -4.95 116.55 112.70 3gqb n ASP 152 Ca 0.12 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 3gqb n ASP 152 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 3gqb n ASP 152 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gqb s VAL 153 N -1.42 4.88 -0.04 2.53 1.01 -0.93 -4.94 120.40 121.48 3gqb s VAL 153 Ca 0.00 0.53 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 3gqb s VAL 153 Cb 0.00 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.85 3gqb s VAL 153 CO 0.00 -0.18 1.06 0.00 0.00 0.00 0.00 175.10 175.98 3gqb s ARG 154 N -3.07 0.65 0.00 2.72 1.70 -1.26 -1.58 118.95 118.11 3gqb s ARG 154 Ca 0.49 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 3gqb s ARG 154 Cb -0.11 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3gqb s ARG 154 CO 0.23 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.57 3gqb n GLY 155 N -0.26 -0.13 3.90 3.88 0.00 -0.93 -5.00 105.19 106.64 3gqb n GLY 155 Ca -0.05 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 3gqb n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqb s ARG 156 N -2.00 3.44 -0.02 1.61 0.52 -1.26 -1.57 118.95 119.67 3gqb s ARG 156 Ca 0.00 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 3gqb s ARG 156 Cb 0.00 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 3gqb s ARG 156 CO 0.00 0.69 1.31 0.08 0.02 0.00 0.00 175.30 177.40 3gqb s VAL 157 N -1.28 3.95 -0.17 3.52 1.01 0.10 -1.24 120.40 126.29 3gqb s VAL 157 Ca 0.25 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 3gqb s VAL 157 Cb -0.13 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3gqb s VAL 157 CO 0.17 0.00 -0.20 1.17 0.00 0.00 0.00 175.10 176.24 3gqb n LYS 158 N 5.24 0.50 -4.30 2.72 4.81 0.21 -0.07 118.16 127.28 3gqb n LYS 158 Ca 0.12 0.41 -0.16 0.00 -0.87 0.00 0.00 58.31 57.82 3gqb n LYS 158 Cb 0.45 -1.60 -0.10 0.00 0.02 0.00 0.00 35.03 33.79 3gqb n LYS 158 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3gqb s GLU 159 N -2.49 1.27 -0.07 1.64 -1.05 -0.99 -4.61 118.70 112.41 3gqb s GLU 159 Ca -0.23 -1.64 -0.06 0.00 -0.15 0.00 0.00 54.97 52.89 3gqb s GLU 159 Cb 0.04 -0.42 0.02 0.00 -0.44 0.00 0.00 34.13 33.33 3gqb s GLU 159 CO 0.35 -0.15 0.18 0.08 0.95 0.00 0.00 175.26 176.67 3gqb s VAL 160 N -3.57 -0.00 0.12 1.83 1.01 -1.26 -1.23 120.40 117.29 3gqb s VAL 160 Ca 0.29 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 3gqb s VAL 160 Cb 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.11 3gqb s VAL 160 CO 0.08 0.01 1.31 -0.54 0.00 0.00 0.00 175.10 175.96 3gqb s LYS 161 N 0.21 4.37 0.65 2.72 -0.14 0.18 -4.99 119.74 122.74 3gqb s LYS 161 Ca -0.01 1.98 -0.17 0.00 -1.36 0.00 0.00 55.97 56.41 3gqb s LYS 161 Cb -0.02 -3.26 -0.01 0.00 -1.68 0.00 0.00 37.83 32.86 3gqb s LYS 161 CO -0.01 -0.33 1.20 -1.25 -0.76 0.00 0.00 175.35 174.21 3gqb s PRO 162 N 0.77 2.66 0.12 -1.68 0.04 -1.26 -4.67 135.00 130.97 3gqb s PRO 162 Ca 0.61 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 63.11 3gqb s PRO 162 Cb -0.35 -1.89 -0.18 0.00 0.04 0.00 0.00 34.50 32.12 3gqb s PRO 162 CO 0.32 -1.44 0.72 0.00 0.04 0.00 0.00 177.00 176.64 3gqb n ALA 163 N -2.06 -3.13 0.00 8.56 0.00 -1.26 -4.86 120.51 117.76 3gqb n ALA 163 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3gqb n ALA 163 Cb 0.50 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3gqb n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqb n GLY 164 N 1.75 -1.79 3.44 0.00 0.00 -1.06 -5.02 105.19 102.51 3gqb n GLY 164 Ca 0.18 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 3gqb n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 165 N -1.63 3.35 0.22 1.61 2.02 -1.26 -1.10 118.70 121.91 3gqb s GLU 165 Ca 0.00 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.34 3gqb s GLU 165 Cb 0.00 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.63 3gqb s GLU 165 CO 0.00 -0.40 -0.07 0.71 0.02 0.00 0.00 175.26 175.52 3gqb s TYR 166 N 1.61 1.66 0.70 1.61 2.02 0.34 -4.81 117.35 120.48 3gqb s TYR 166 Ca 0.05 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 3gqb s TYR 166 Cb -0.17 -0.89 0.10 0.00 -0.40 0.00 0.00 41.96 40.60 3gqb s TYR 166 CO 0.06 0.17 0.97 0.95 -1.57 0.00 0.00 175.55 176.14 3gqb s THR 167 N -3.17 2.27 -0.46 -0.71 -4.23 -1.26 0.20 115.64 108.27 3gqb s THR 167 Ca 0.25 -0.51 0.26 0.00 -1.18 0.00 0.00 61.69 60.51 3gqb s THR 167 Cb 0.03 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.40 3gqb s THR 167 CO 0.08 0.00 1.76 -0.37 -0.54 0.00 0.00 174.62 175.55 3gqb h VAL 168 N -0.49 0.00 0.00 2.29 -1.51 -1.81 -3.10 116.25 111.63 3gqb h VAL 168 Ca -0.40 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 3gqb h VAL 168 Cb 1.28 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 3gqb h VAL 168 CO 0.46 0.00 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.67 3gqb h GLU 169 N 0.00 0.00 -6.54 5.19 4.57 -1.91 -3.14 114.58 112.75 3gqb h GLU 169 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3gqb h GLU 169 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3gqb h GLU 169 CO 0.00 0.05 0.41 -1.21 -1.18 0.00 0.00 179.01 177.08 3gqb s GLU 170 N -3.24 4.62 -1.04 1.92 2.02 -1.17 -4.94 118.70 116.86 3gqb s GLU 170 Ca 0.06 1.53 -0.24 0.00 0.02 0.00 0.00 54.97 56.34 3gqb s GLU 170 Cb 0.06 -3.37 -0.12 0.00 0.10 0.00 0.00 34.13 30.80 3gqb s GLU 170 CO 0.66 0.07 2.04 -2.14 0.02 0.00 0.00 175.26 175.92 3gqb s PRO 171 N 0.29 2.09 0.45 0.39 0.02 -1.26 -4.18 135.00 132.80 3gqb s PRO 171 Ca 0.50 -0.56 0.20 0.00 0.02 0.00 0.00 61.00 61.15 3gqb s PRO 171 Cb -0.25 -5.08 1.07 0.00 0.02 0.00 0.00 34.50 30.26 3gqb s PRO 171 CO 0.30 -4.24 1.95 -0.39 -0.33 0.00 0.00 177.00 174.29 3gqb h VAL 172 N 6.77 0.91 -3.59 3.83 -1.51 -1.67 -3.43 116.25 117.55 3gqb h VAL 172 Ca 0.11 -0.86 -0.29 0.00 -1.23 0.00 0.00 66.70 64.43 3gqb h VAL 172 Cb 0.98 1.50 -0.32 0.00 -2.13 0.00 0.00 31.29 31.32 3gqb h VAL 172 CO 1.14 0.22 -0.73 -0.69 -1.23 0.00 0.00 177.57 176.29 3gqb s VAL 173 N -4.22 0.02 -0.04 7.19 1.01 -0.99 0.50 120.40 123.88 3gqb s VAL 173 Ca -0.03 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3gqb s VAL 173 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.40 3gqb s VAL 173 CO 0.66 0.08 -0.16 -0.69 0.00 0.00 0.00 175.10 174.98 3gqb s VAL 174 N 0.70 1.32 0.41 2.92 1.01 -0.37 0.15 120.40 126.55 3gqb s VAL 174 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3gqb s VAL 174 Cb -0.09 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 3gqb s VAL 174 CO -0.02 0.38 0.60 -0.76 0.00 0.00 0.00 175.10 175.31 3gqb s LEU 175 N -0.02 3.75 0.37 3.92 1.43 0.59 -0.62 118.68 128.11 3gqb s LEU 175 Ca -0.02 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3gqb s LEU 175 Cb -0.10 -3.02 0.70 0.00 0.03 0.00 0.00 46.19 43.80 3gqb s LEU 175 CO 0.01 -0.61 1.98 -0.33 0.23 0.00 0.00 176.35 177.63 3gqb h GLU 176 N 0.56 0.62 -1.10 1.70 5.08 -1.47 0.11 114.58 120.07 3gqb h GLU 176 Ca -0.46 -0.07 0.32 0.00 -1.00 0.00 0.00 59.36 58.15 3gqb h GLU 176 Cb 1.25 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3gqb h GLU 176 CO 0.56 0.49 0.87 0.22 -1.00 0.00 0.00 179.01 180.14 3gqb h ASP 177 N 0.62 0.00 0.00 1.42 3.58 -1.95 -3.45 116.42 116.65 3gqb h ASP 177 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3gqb h ASP 177 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 3gqb h ASP 177 CO -0.02 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.95 3gqb n GLY 178 N -1.73 2.89 3.63 -0.78 0.00 0.37 -5.06 105.19 104.51 3gqb n GLY 178 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 3gqb n GLY 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gqb n THR 179 N -2.00 0.21 -3.98 2.61 -1.04 -1.26 -4.60 114.28 104.22 3gqb n THR 179 Ca 0.00 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 3gqb n THR 179 Cb 0.00 -1.22 -0.09 0.00 -1.82 0.00 0.00 70.33 67.20 3gqb n THR 179 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gqb s GLU 180 N 0.47 3.96 -0.08 -2.82 2.02 -1.26 -0.30 118.70 120.69 3gqb s GLU 180 Ca 0.79 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.48 3gqb s GLU 180 Cb -0.78 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.20 3gqb s GLU 180 CO 0.44 0.31 -0.14 -0.51 0.02 0.00 0.00 175.26 175.38 3gqb s LEU 181 N 0.27 2.74 0.00 1.80 1.43 0.12 -5.01 118.68 120.03 3gqb s LEU 181 Ca 0.04 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3gqb s LEU 181 Cb -0.12 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3gqb s LEU 181 CO -0.00 0.29 0.04 0.29 0.23 0.00 0.00 176.35 177.20 3gqb n LYS 182 N 2.71 1.51 0.03 1.70 5.02 -1.26 -1.77 118.16 126.09 3gqb n LYS 182 Ca -0.17 -0.99 0.12 0.00 -2.02 0.00 0.00 58.31 55.24 3gqb n LYS 182 Cb 0.52 0.21 0.48 0.00 -0.02 0.00 0.00 35.03 36.22 3gqb n LYS 182 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3gqb n MET 183 N -0.55 0.07 -4.26 1.97 2.81 -1.19 -4.79 117.12 111.19 3gqb n MET 183 Ca -0.04 0.16 -0.14 0.00 -1.81 0.00 0.00 57.70 55.87 3gqb n MET 183 Cb 0.18 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 30.99 3gqb n MET 183 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 3gqb s TYR 184 N -3.05 1.28 0.09 2.03 1.13 -1.26 -4.15 117.35 113.41 3gqb s TYR 184 Ca 0.10 -1.06 -0.00 0.00 -1.41 0.00 0.00 57.07 54.70 3gqb s TYR 184 Cb 0.14 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 40.23 3gqb s TYR 184 CO 0.45 -0.25 -0.01 -3.38 -2.51 0.00 0.00 175.55 169.85 3gqb s HIS 185 N -3.69 0.71 0.46 -3.49 -3.43 -0.82 -4.97 115.29 100.05 3gqb s HIS 185 Ca 0.27 -1.08 0.02 0.00 -0.80 0.00 0.00 55.06 53.47 3gqb s HIS 185 Cb 0.06 -0.45 0.01 0.00 -1.43 0.00 0.00 32.58 30.77 3gqb s HIS 185 CO 0.06 -0.37 0.67 0.95 -2.00 0.00 0.00 174.74 174.05 3gqb s THR 186 N -3.89 3.61 -0.28 -5.38 -4.23 -1.26 -0.70 115.64 103.51 3gqb s THR 186 Ca 0.13 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.84 3gqb s THR 186 Cb 0.07 -3.32 0.10 0.00 1.34 0.00 0.00 72.50 70.69 3gqb s THR 186 CO -0.05 -0.21 0.78 0.86 -0.54 0.00 0.00 174.62 175.46 3gqb s TRP 187 N -2.55 -0.88 0.16 3.99 -0.11 -0.79 -4.93 118.94 113.83 3gqb s TRP 187 Ca 0.51 1.81 -0.31 0.00 1.22 0.00 0.00 56.10 59.32 3gqb s TRP 187 Cb -0.10 0.51 -0.09 0.00 -1.50 0.00 0.00 33.47 32.29 3gqb s TRP 187 CO 0.37 -0.44 1.48 -1.25 -4.62 0.00 0.00 176.95 172.49 3gqb s PRO 188 N 1.37 4.27 0.39 5.86 0.04 -1.26 -1.52 135.00 144.13 3gqb s PRO 188 Ca -0.08 2.24 0.21 0.00 0.04 0.00 0.00 61.00 63.41 3gqb s PRO 188 Cb -0.05 -3.18 0.50 0.00 0.04 0.00 0.00 34.50 31.81 3gqb s PRO 188 CO -0.16 -0.50 1.65 -0.39 0.04 0.00 0.00 177.00 177.63 3gqb h VAL 189 N 4.00 0.53 -0.01 -0.36 -1.51 -1.70 -3.12 116.25 114.08 3gqb h VAL 189 Ca -0.43 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 3gqb h VAL 189 Cb 1.21 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 3gqb h VAL 189 CO 0.87 0.27 -0.03 0.54 -1.23 0.00 0.00 177.57 177.99 3gqb n ARG 190 N -3.25 1.39 -3.75 5.19 1.74 -1.26 -4.70 116.66 112.02 3gqb n ARG 190 Ca 0.02 -0.68 -0.38 0.00 -0.77 0.00 0.00 57.85 56.04 3gqb n ARG 190 Cb 0.56 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 3gqb n ARG 190 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gqb s ARG 191 N -2.07 2.78 -0.12 5.56 3.52 -1.18 -5.07 118.95 122.36 3gqb s ARG 191 Ca 0.38 -1.07 -0.40 0.00 -0.13 0.00 0.00 55.73 54.52 3gqb s ARG 191 Cb 0.21 -3.44 -0.18 0.00 -1.56 0.00 0.00 34.95 29.98 3gqb s ARG 191 CO 0.37 -0.59 1.44 0.00 -0.81 0.00 0.00 175.30 175.70 3gqb n ALA 192 N 4.84 -1.37 -1.84 6.12 0.00 -1.26 -4.85 120.51 122.13 3gqb n ALA 192 Ca -0.13 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3gqb n ALA 192 Cb 0.46 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 3gqb n ALA 192 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb s ARG 193 N 1.62 4.18 0.70 0.00 0.52 -1.26 -4.95 118.95 119.76 3gqb s ARG 193 Ca 0.93 2.44 -0.16 0.00 -0.52 0.00 0.00 55.73 58.43 3gqb s ARG 193 Cb -1.14 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 30.89 3gqb s ARG 193 CO 0.60 -0.75 1.20 -2.14 0.02 0.00 0.00 175.30 174.23 3gqb s PRO 194 N 2.26 2.32 0.30 3.54 0.02 -1.26 -5.06 135.00 137.11 3gqb s PRO 194 Ca 0.75 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.56 3gqb s PRO 194 Cb -0.43 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 3gqb s PRO 194 CO 0.33 -1.70 0.11 0.14 -0.33 0.00 0.00 177.00 175.55 3gqb s VAL 195 N -1.93 0.63 0.04 3.83 -7.23 -1.26 -4.55 120.40 109.93 3gqb s VAL 195 Ca 0.75 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 59.01 3gqb s VAL 195 Cb -0.29 -2.61 -0.14 0.00 0.56 0.00 0.00 36.38 33.90 3gqb s VAL 195 CO 0.43 0.00 1.27 -0.61 -0.31 0.00 0.00 175.10 175.89 3gqb h GLN 196 N 2.23 0.00 0.00 4.82 4.15 -1.44 -3.45 115.11 121.42 3gqb h GLN 196 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3gqb h GLN 196 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3gqb h GLN 196 CO 0.60 0.83 0.00 -2.13 -1.93 0.00 0.00 178.83 176.20 3gqb n ARG 197 N -3.29 0.00 -3.56 1.69 0.63 -1.14 -5.01 116.66 105.98 3gqb n ARG 197 Ca -0.01 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.54 3gqb n ARG 197 Cb 0.89 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.70 3gqb n ARG 197 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3gqb s LYS 198 N -0.07 3.98 0.26 -0.14 2.47 -1.26 -1.39 119.74 123.59 3gqb s LYS 198 Ca 0.00 -0.23 0.02 0.00 -1.56 0.00 0.00 55.97 54.19 3gqb s LYS 198 Cb 0.00 -3.64 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 3gqb s LYS 198 CO 0.00 -0.16 0.43 -0.51 0.16 0.00 0.00 175.35 175.27 3gqb s LEU 199 N 1.72 4.19 0.53 5.43 1.43 0.17 -4.98 118.68 127.18 3gqb s LEU 199 Ca 0.09 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 3gqb s LEU 199 Cb -0.16 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 3gqb s LEU 199 CO 0.10 -0.13 1.15 -1.81 0.23 0.00 0.00 176.35 175.89 3gqb s ASP 200 N -3.74 5.73 0.00 2.29 1.01 -1.26 -4.45 116.67 116.24 3gqb s ASP 200 Ca 0.37 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.87 3gqb s ASP 200 Cb -0.10 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3gqb s ASP 200 CO 0.31 -1.22 0.33 -0.81 0.21 0.00 0.00 175.17 174.00 3gqb n PRO 201 N -1.19 0.42 0.00 8.23 -0.04 -1.26 -4.34 135.00 136.82 3gqb n PRO 201 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3gqb n PRO 201 Cb 0.50 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 3gqb n PRO 201 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3gqb n ASN 202 N 0.59 2.51 -3.99 3.54 2.04 -1.26 -4.56 115.26 114.14 3gqb n ASN 202 Ca 0.00 -1.81 -0.10 0.00 -0.44 0.00 0.00 54.58 52.24 3gqb n ASN 202 Cb 0.17 -0.45 -0.11 0.00 -2.53 0.00 0.00 39.78 36.85 3gqb n ASN 202 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3gqb s THR 203 N -0.02 0.17 0.32 5.53 2.01 -1.26 -4.75 115.64 117.64 3gqb s THR 203 Ca 0.00 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 3gqb s THR 203 Cb 0.00 -0.30 -0.10 0.00 0.01 0.00 0.00 72.50 72.11 3gqb s THR 203 CO 0.00 -0.46 0.97 -2.84 -0.69 0.00 0.00 174.62 171.60 3gqb s PRO 204 N -1.41 4.56 -0.37 4.92 0.02 -1.26 -0.71 135.00 140.75 3gqb s PRO 204 Ca -0.14 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 3gqb s PRO 204 Cb -0.10 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3gqb s PRO 204 CO -0.01 0.24 0.53 0.12 -0.33 0.00 0.00 177.00 177.55 3gqb s PHE 205 N -1.56 3.16 -0.39 6.54 2.19 0.62 -4.04 117.98 124.50 3gqb s PHE 205 Ca 0.50 0.08 -0.21 0.00 0.33 0.00 0.00 56.93 57.63 3gqb s PHE 205 Cb -0.20 -3.00 0.01 0.00 -1.31 0.00 0.00 43.02 38.52 3gqb s PHE 205 CO 0.26 -0.62 0.66 -0.51 1.83 0.00 0.00 175.22 176.84 3gqb s LEU 206 N 2.45 4.32 -0.12 6.12 1.43 -1.26 -4.48 118.68 127.14 3gqb s LEU 206 Ca 0.19 -0.01 0.18 0.00 -1.03 0.00 0.00 54.13 53.45 3gqb s LEU 206 Cb -0.15 -2.79 -0.25 0.00 0.03 0.00 0.00 46.19 43.03 3gqb s LEU 206 CO 0.14 -0.68 0.31 1.07 0.23 0.00 0.00 176.35 177.42 3gqb n THR 207 N 5.72 1.17 0.00 5.49 5.66 -1.26 -1.24 114.28 129.82 3gqb n THR 207 Ca -0.01 -0.77 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 3gqb n THR 207 Cb 0.48 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 3gqb n THR 207 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gqb n GLY 208 N 1.60 2.42 3.63 1.09 0.00 -1.26 -4.04 105.19 108.63 3gqb n GLY 208 Ca -0.23 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3gqb n GLY 208 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqb s MET 209 N 0.00 4.11 0.11 1.61 -1.94 -1.26 -2.13 119.30 119.80 3gqb s MET 209 Ca 0.00 0.75 -0.24 0.00 -1.71 0.00 0.00 55.69 54.49 3gqb s MET 209 Cb 0.00 -3.67 -0.07 0.00 2.01 0.00 0.00 34.83 33.11 3gqb s MET 209 CO 0.00 -0.53 1.41 0.00 -0.01 0.00 0.00 175.02 175.89 3gqb h ARG 210 N 7.84 -0.13 -1.04 2.03 3.08 -1.87 -1.44 114.38 122.86 3gqb h ARG 210 Ca -0.24 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.08 3gqb h ARG 210 Cb 1.10 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 3gqb h ARG 210 CO 0.85 -0.09 0.68 -0.84 -1.07 0.00 0.00 179.97 179.51 3gqb h ILE 211 N -0.13 0.53 0.08 2.04 -2.65 -1.85 0.58 117.51 116.10 3gqb h ILE 211 Ca 0.09 -0.11 -0.31 0.00 1.03 0.00 0.00 64.86 65.56 3gqb h ILE 211 Cb 0.37 0.18 -0.02 0.00 -2.05 0.00 0.00 36.82 35.30 3gqb h ILE 211 CO -0.59 0.06 -1.63 -0.07 0.03 0.00 0.00 178.15 175.95 3gqb h LEU 212 N 0.32 0.27 0.09 0.16 3.38 -1.84 -1.27 115.31 116.42 3gqb h LEU 212 Ca 0.57 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gqb h LEU 212 Cb 1.58 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3gqb h LEU 212 CO -0.23 1.38 -0.04 0.44 0.09 0.00 0.00 178.44 180.08 3gqb h ASP 213 N 0.05 -0.10 0.06 -0.43 3.45 0.10 0.73 116.42 120.27 3gqb h ASP 213 Ca -0.27 -0.31 -0.18 0.00 0.43 0.00 0.00 57.03 56.70 3gqb h ASP 213 Cb 2.00 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.79 3gqb h ASP 213 CO 0.13 0.27 -0.92 0.58 -1.57 0.00 0.00 179.24 177.72 3gqb h VAL 214 N -0.49 1.26 0.00 -1.35 2.07 -0.12 -3.38 116.25 114.24 3gqb h VAL 214 Ca -0.01 -2.34 -0.17 0.00 0.82 0.00 0.00 66.70 64.99 3gqb h VAL 214 Cb 0.41 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 3gqb h VAL 214 CO 0.02 0.57 -1.00 -0.07 0.02 0.00 0.00 177.57 177.12 3gqb h LEU 215 N -0.69 0.00 -4.56 2.57 3.38 -1.35 -3.42 115.31 111.24 3gqb h LEU 215 Ca -0.22 -0.48 -0.51 0.00 0.09 0.00 0.00 57.88 56.76 3gqb h LEU 215 Cb 1.42 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.75 3gqb h LEU 215 CO -0.02 1.32 -0.87 0.49 0.09 0.00 0.00 178.44 179.45 3gqb n PHE 216 N -4.48 2.67 -1.14 1.13 3.72 -0.64 -4.65 117.46 114.06 3gqb n PHE 216 Ca -0.26 -2.84 -0.33 0.00 -0.05 0.00 0.00 57.45 53.97 3gqb n PHE 216 Cb 0.59 -0.20 0.12 0.00 -0.94 0.00 0.00 39.48 39.05 3gqb n PHE 216 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gqb s PRO 217 N -3.47 1.71 -0.01 -1.08 0.04 0.25 -4.65 135.00 127.79 3gqb s PRO 217 Ca 0.42 1.68 0.06 0.00 0.04 0.00 0.00 61.00 63.20 3gqb s PRO 217 Cb 0.41 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 33.13 3gqb s PRO 217 CO -0.09 -2.14 -0.20 0.14 0.04 0.00 0.00 177.00 174.75 3gqb s VAL 218 N -2.25 2.58 0.71 -0.36 -7.23 -1.26 -4.53 120.40 108.06 3gqb s VAL 218 Ca 0.71 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.71 3gqb s VAL 218 Cb -0.27 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.70 3gqb s VAL 218 CO 0.51 0.50 1.14 0.00 -0.31 0.00 0.00 175.10 176.94 3gqb s ALA 219 N -0.75 2.28 -0.20 1.32 0.00 -1.25 0.23 121.76 123.38 3gqb s ALA 219 Ca 0.12 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3gqb s ALA 219 Cb -0.10 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3gqb s ALA 219 CO 0.01 -1.60 2.13 -0.12 0.00 0.00 0.00 175.76 176.18 3gqb n MET 220 N -2.69 1.89 -0.38 0.00 1.56 0.12 -0.20 117.12 117.41 3gqb n MET 220 Ca 0.11 0.58 0.00 0.00 -0.27 0.00 0.00 57.70 58.13 3gqb n MET 220 Cb 0.51 -2.92 0.00 0.00 2.15 0.00 0.00 33.22 32.97 3gqb n MET 220 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gqb n GLY 221 N 5.58 0.76 3.38 -5.12 0.00 -1.26 -4.09 105.19 104.43 3gqb n GLY 221 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 3gqb n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 222 N -2.21 -2.73 3.53 -0.02 0.00 0.72 -2.24 105.19 102.22 3gqb n GLY 222 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 3gqb n GLY 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqb s THR 223 N -2.93 0.95 -0.29 2.61 -4.23 -1.26 -1.66 115.64 108.83 3gqb s THR 223 Ca 0.69 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.96 3gqb s THR 223 Cb -0.07 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.41 3gqb s THR 223 CO 0.52 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.83 3gqb s ALA 224 N -3.18 -2.17 0.17 3.99 0.00 -0.41 -2.06 121.76 118.09 3gqb s ALA 224 Ca 0.27 1.83 0.07 0.00 0.00 0.00 0.00 51.96 54.13 3gqb s ALA 224 Cb 0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3gqb s ALA 224 CO 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 175.76 175.70 3gqb s ALA 225 N 0.32 3.20 -0.01 0.00 0.00 -0.90 -0.66 121.76 123.71 3gqb s ALA 225 Ca 0.03 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.66 3gqb s ALA 225 Cb -0.05 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3gqb s ALA 225 CO -0.12 0.50 -0.04 0.96 0.00 0.00 0.00 175.76 177.06 3gqb s ILE 226 N -1.69 0.38 -1.08 0.00 -4.36 0.49 -0.26 121.20 114.68 3gqb s ILE 226 Ca 0.27 -0.15 0.06 0.00 -0.26 0.00 0.00 60.65 60.57 3gqb s ILE 226 Cb -0.09 -0.36 0.30 0.00 1.25 0.00 0.00 42.46 43.55 3gqb s ILE 226 CO 0.18 0.13 1.05 -0.81 0.24 0.00 0.00 174.94 175.73 3gqb n PRO 227 N 3.31 2.26 0.00 0.37 -0.04 -1.25 0.26 135.00 139.90 3gqb n PRO 227 Ca -0.17 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 3gqb n PRO 227 Cb 0.56 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3gqb n PRO 227 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gqb n GLY 228 N 0.44 0.00 3.87 0.55 0.00 -1.23 -4.48 105.19 104.35 3gqb n GLY 228 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3gqb n GLY 228 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqb s PRO 229 N 0.00 3.84 0.87 1.61 0.04 -1.26 -4.78 135.00 135.32 3gqb s PRO 229 Ca 0.00 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 3gqb s PRO 229 Cb 0.00 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 32.11 3gqb s PRO 229 CO 0.00 0.14 0.82 0.34 0.04 0.00 0.00 177.00 178.33 3gqb n PHE 230 N -0.69 -0.06 0.00 0.56 -0.00 -1.26 -3.30 117.46 112.72 3gqb n PHE 230 Ca 0.02 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 3gqb n PHE 230 Cb 0.53 -1.94 0.00 0.00 -0.00 0.00 0.00 39.48 38.07 3gqb n PHE 230 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gqb n GLY 231 N 0.97 2.40 3.81 7.13 0.00 -1.26 -4.51 105.19 113.73 3gqb n GLY 231 Ca 0.10 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3gqb n GLY 231 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqb s SER 232 N 0.00 6.51 -1.45 1.61 0.15 -1.21 -4.74 113.70 114.57 3gqb s SER 232 Ca 0.00 1.83 -0.14 0.00 0.70 0.00 0.00 55.95 58.34 3gqb s SER 232 Cb 0.00 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 3gqb s SER 232 CO 0.00 -0.66 2.21 0.61 1.20 0.00 0.00 173.24 176.59 3gqb n GLY 233 N -0.48 4.45 0.29 9.45 0.00 -1.26 -4.81 105.19 112.83 3gqb n GLY 233 Ca 0.08 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 3gqb n GLY 233 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gqb h LYS 234 N 5.98 -0.55 0.00 1.61 3.64 -1.93 -2.73 116.57 122.58 3gqb h LYS 234 Ca 0.56 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3gqb h LYS 234 Cb 0.64 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3gqb h LYS 234 CO 1.87 -0.37 0.00 0.43 -2.27 0.00 0.00 179.45 179.11 3gqb n SER 235 N -4.17 0.00 -0.19 4.20 7.64 -1.26 -0.87 113.62 118.97 3gqb n SER 235 Ca -0.07 0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.92 3gqb n SER 235 Cb 0.27 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3gqb n SER 235 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gqb n VAL 236 N -0.40 -0.30 -0.25 0.44 0.31 -1.23 0.13 118.33 117.02 3gqb n VAL 236 Ca 0.00 1.10 0.01 0.00 -0.01 0.00 0.00 64.34 65.43 3gqb n VAL 236 Cb 0.00 -1.36 0.13 0.00 -0.91 0.00 0.00 33.84 31.70 3gqb n VAL 236 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3gqb h THR 237 N 0.00 0.90 -0.15 2.52 2.02 -1.15 0.13 112.91 117.18 3gqb h THR 237 Ca 0.08 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3gqb h THR 237 Cb 0.19 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3gqb h THR 237 CO -0.43 0.12 0.01 1.56 0.37 0.00 0.00 175.52 177.16 3gqb h GLN 238 N 0.67 0.25 -0.21 6.66 4.20 0.31 -3.12 115.11 123.87 3gqb h GLN 238 Ca 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3gqb h GLN 238 Cb 0.31 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3gqb h GLN 238 CO -0.24 0.45 0.09 1.96 -0.67 0.00 0.00 178.83 180.42 3gqb h GLN 239 N 0.01 0.31 -1.09 1.46 4.20 0.05 -2.58 115.11 117.47 3gqb h GLN 239 Ca 0.04 -0.06 0.32 0.00 0.06 0.00 0.00 58.65 59.01 3gqb h GLN 239 Cb 0.33 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.94 3gqb h GLN 239 CO 0.00 0.37 0.68 1.03 -0.67 0.00 0.00 178.83 180.24 3gqb h SER 240 N 0.19 0.45 0.30 1.46 0.87 -0.78 -0.53 113.55 115.50 3gqb h SER 240 Ca 0.07 0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 3gqb h SER 240 Cb 0.17 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3gqb h SER 240 CO -0.01 -0.03 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.56 3gqb h LEU 241 N 0.33 0.37 -0.54 2.23 3.38 -1.40 0.15 115.31 119.83 3gqb h LEU 241 Ca 0.69 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 58.31 3gqb h LEU 241 Cb 1.75 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3gqb h LEU 241 CO -0.42 0.91 -0.19 0.00 0.09 0.00 0.00 178.44 178.83 3gqb h ALA 242 N 1.09 0.74 0.00 1.53 0.00 -1.08 -1.11 119.26 120.43 3gqb h ALA 242 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gqb h ALA 242 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gqb h ALA 242 CO 0.10 0.67 -0.00 0.87 0.00 0.00 0.00 179.25 180.89 3gqb h LYS 243 N 0.85 -0.01 -0.25 0.00 1.57 -1.16 -3.39 116.57 114.18 3gqb h LYS 243 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gqb h LYS 243 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3gqb h LYS 243 CO 0.06 0.50 0.00 0.91 -0.57 0.00 0.00 179.45 180.35 3gqb n TRP 244 N -4.85 0.33 -2.87 -1.35 7.02 0.02 -4.55 117.44 111.19 3gqb n TRP 244 Ca -0.09 -0.32 -0.33 0.00 -1.02 0.00 0.00 57.50 55.75 3gqb n TRP 244 Cb 0.26 -0.02 -0.07 0.00 -2.42 0.00 0.00 31.31 29.06 3gqb n TRP 244 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gqb s SER 245 N -1.01 6.93 -0.57 -0.99 1.04 -0.43 -4.37 113.70 114.30 3gqb s SER 245 Ca 0.22 1.63 -0.04 0.00 0.48 0.00 0.00 55.95 58.23 3gqb s SER 245 Cb 0.12 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 3gqb s SER 245 CO 0.17 -0.32 2.05 -0.46 0.98 0.00 0.00 173.24 175.65 3gqb n ASN 246 N -0.53 3.94 -4.16 7.02 6.94 -0.37 -4.79 115.26 123.31 3gqb n ASN 246 Ca 0.06 -2.20 -0.26 0.00 -0.02 0.00 0.00 54.58 52.16 3gqb n ASN 246 Cb 0.54 -0.94 -0.16 0.00 -2.36 0.00 0.00 39.78 36.85 3gqb n ASN 246 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gqb s ALA 247 N 3.04 1.54 0.01 -2.53 0.00 -1.26 -4.81 121.76 117.74 3gqb s ALA 247 Ca 0.36 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.68 3gqb s ALA 247 Cb 0.12 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 3gqb s ALA 247 CO -0.02 0.32 1.36 -0.44 0.00 0.00 0.00 175.76 176.99 3gqb h ASP 248 N 5.98 0.00 -4.82 0.00 5.19 -0.38 -3.47 116.42 118.93 3gqb h ASP 248 Ca -0.35 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.92 3gqb h ASP 248 Cb 1.16 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.46 3gqb h ASP 248 CO 0.48 0.78 -0.45 -0.69 -3.12 0.00 0.00 179.24 176.24 3gqb s VAL 249 N -2.85 0.07 -0.17 -1.35 1.01 -0.92 -4.95 120.40 111.23 3gqb s VAL 249 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3gqb s VAL 249 Cb 0.09 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 36.06 3gqb s VAL 249 CO 0.79 -0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 3gqb s VAL 250 N -1.17 1.39 -0.23 2.92 1.01 -0.54 -0.59 120.40 123.19 3gqb s VAL 250 Ca -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3gqb s VAL 250 Cb -0.06 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3gqb s VAL 250 CO 0.02 0.22 0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3gqb s VAL 251 N 1.52 5.21 -0.47 2.92 1.01 0.56 -1.68 120.40 129.46 3gqb s VAL 251 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3gqb s VAL 251 Cb -0.15 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.94 3gqb s VAL 251 CO -0.08 0.37 0.25 -0.47 0.00 0.00 0.00 175.10 175.16 3gqb s TYR 252 N 0.96 3.51 0.00 5.22 5.04 -0.51 -2.20 117.35 129.37 3gqb s TYR 252 Ca 0.07 -2.73 -0.23 0.00 -2.44 0.00 0.00 57.07 51.74 3gqb s TYR 252 Cb -0.13 -3.10 -0.05 0.00 0.35 0.00 0.00 41.96 39.03 3gqb s TYR 252 CO 0.03 -0.90 0.70 0.54 -1.34 0.00 0.00 175.55 174.59 3gqb s VAL 253 N 0.53 4.86 -0.11 3.14 0.11 -1.12 -1.92 120.40 125.89 3gqb s VAL 253 Ca 0.13 1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 60.60 3gqb s VAL 253 Cb -0.22 -4.04 0.06 0.00 -1.53 0.00 0.00 36.38 30.65 3gqb s VAL 253 CO -0.04 0.35 0.15 -0.83 -3.33 0.00 0.00 175.10 171.41 3gqb s GLY 254 N 0.12 0.10 0.19 6.54 0.00 0.30 -2.44 107.32 112.13 3gqb s GLY 254 Ca 0.36 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 3gqb s GLY 254 CO 0.20 1.74 0.16 -1.35 0.00 0.00 0.00 173.10 173.86 3gqb s SER 255 N 2.27 0.14 -0.76 1.64 1.04 -1.26 -1.30 113.70 115.47 3gqb s SER 255 Ca 0.04 -1.29 -0.00 0.00 0.48 0.00 0.00 55.95 55.18 3gqb s SER 255 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3gqb s SER 255 CO -0.07 -0.86 0.64 0.61 0.98 0.00 0.00 173.24 174.54 3gqb n GLY 256 N -0.25 -0.05 3.67 7.32 0.00 -0.80 -4.18 105.19 110.90 3gqb n GLY 256 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3gqb n GLY 256 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqb s GLU 257 N -4.93 2.39 0.24 1.61 0.41 -0.01 -4.60 118.70 113.81 3gqb s GLU 257 Ca 0.03 -1.37 -0.31 0.00 -0.41 0.00 0.00 54.97 52.91 3gqb s GLU 257 Cb -0.01 -2.22 -0.11 0.00 -1.78 0.00 0.00 34.13 30.01 3gqb s GLU 257 CO 0.46 0.36 1.61 1.03 -0.49 0.00 0.00 175.26 178.23 3gqb s ARG 258 N -3.71 4.16 0.47 1.61 0.52 -1.26 -1.20 118.95 119.54 3gqb s ARG 258 Ca 0.32 2.52 0.29 0.00 -0.52 0.00 0.00 55.73 58.34 3gqb s ARG 258 Cb -0.06 -3.07 1.37 0.00 0.52 0.00 0.00 34.95 33.70 3gqb s ARG 258 CO 0.21 -0.64 1.74 0.78 0.02 0.00 0.00 175.30 177.41 3gqb h GLY 259 N 5.85 0.72 0.80 -3.53 0.00 -1.97 0.83 103.07 105.77 3gqb h GLY 259 Ca -0.45 -0.10 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3gqb h GLY 259 CO 0.87 -0.13 -1.46 0.70 0.00 0.00 0.00 176.54 176.52 3gqb n ASN 260 N -4.44 0.69 -0.01 0.19 3.02 -1.26 -1.56 115.26 111.89 3gqb n ASN 260 Ca 0.29 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 55.02 3gqb n ASN 260 Cb 1.19 0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 40.80 3gqb n ASN 260 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3gqb h GLU 261 N 0.00 0.16 -0.24 3.52 4.57 -1.35 -1.94 114.58 119.28 3gqb h GLU 261 Ca -0.14 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.84 3gqb h GLU 261 Cb 1.43 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 3gqb h GLU 261 CO 0.03 0.18 -0.58 1.98 -1.18 0.00 0.00 179.01 179.44 3gqb h MET 262 N 0.09 0.78 -0.14 1.92 4.05 -0.99 -3.02 114.93 117.62 3gqb h MET 262 Ca 0.04 -0.51 -0.11 0.00 -0.28 0.00 0.00 59.70 58.83 3gqb h MET 262 Cb 0.07 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3gqb h MET 262 CO -0.01 1.14 -0.42 1.15 0.23 0.00 0.00 176.91 179.00 3gqb h THR 263 N 0.59 1.31 0.00 -0.77 2.02 -1.31 -0.03 112.91 114.73 3gqb h THR 263 Ca 0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3gqb h THR 263 Cb 1.17 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3gqb h THR 263 CO 0.12 0.47 0.07 0.47 0.37 0.00 0.00 175.52 177.03 3gqb n ASP 264 N -4.02 0.00 -0.07 4.18 9.92 -0.73 -1.54 116.55 124.29 3gqb n ASP 264 Ca -0.02 0.22 -0.08 0.00 -0.53 0.00 0.00 54.79 54.39 3gqb n ASP 264 Cb 0.50 -0.22 -0.10 0.00 -0.64 0.00 0.00 41.12 40.66 3gqb n ASP 264 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3gqb n VAL 265 N -1.17 0.91 1.43 2.53 0.31 -0.03 -3.58 118.33 118.73 3gqb n VAL 265 Ca 0.00 -0.51 0.14 0.00 -0.01 0.00 0.00 64.34 63.96 3gqb n VAL 265 Cb 0.07 -0.76 0.60 0.00 -0.91 0.00 0.00 33.84 32.85 3gqb n VAL 265 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gqb n LEU 266 N -2.61 0.57 -0.04 7.52 4.77 -0.59 -2.43 117.00 124.20 3gqb n LEU 266 Ca -0.23 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.65 3gqb n LEU 266 Cb 0.90 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 3gqb n LEU 266 CO 0.25 0.10 -0.74 0.52 -1.33 0.00 0.00 177.39 176.20 3gqb n VAL 267 N -0.85 0.44 0.10 4.08 0.31 -1.00 -4.56 118.33 116.84 3gqb n VAL 267 Ca 0.15 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 3gqb n VAL 267 Cb 0.28 -0.80 -0.07 0.00 -0.91 0.00 0.00 33.84 32.34 3gqb n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gqb h GLU 268 N 0.00 -0.32 -0.64 5.55 5.08 -1.64 -3.37 114.58 119.25 3gqb h GLU 268 Ca -0.17 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.33 3gqb h GLU 268 Cb 1.31 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.51 3gqb h GLU 268 CO -0.01 0.04 -0.20 0.74 -1.00 0.00 0.00 179.01 178.57 3gqb h PHE 269 N -0.90 -0.48 0.00 4.33 -1.00 -1.74 0.73 116.94 117.88 3gqb h PHE 269 Ca -0.03 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3gqb h PHE 269 Cb 0.50 0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.37 3gqb h PHE 269 CO 0.06 -0.31 0.08 -2.30 -1.61 0.00 0.00 178.31 174.23 3gqb n PRO 270 N -5.45 0.00 0.00 1.51 -0.02 -1.26 -0.93 135.00 128.85 3gqb n PRO 270 Ca 0.07 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3gqb n PRO 270 Cb 0.35 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 3gqb n PRO 270 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gqb n GLU 271 N -1.28 2.16 -2.08 -0.52 -0.58 0.25 -4.93 120.64 113.66 3gqb n GLU 271 Ca 0.00 -0.20 -0.33 0.00 -0.42 0.00 0.00 57.16 56.21 3gqb n GLU 271 Cb 0.08 -1.19 0.01 0.00 -0.57 0.00 0.00 31.44 29.78 3gqb n GLU 271 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3gqb s LEU 272 N -2.49 3.56 -0.09 -4.62 1.43 -0.11 -5.01 118.68 111.36 3gqb s LEU 272 Ca 0.07 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 55.11 3gqb s LEU 272 Cb 0.11 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.75 3gqb s LEU 272 CO 0.53 -1.23 -0.07 -0.89 0.23 0.00 0.00 176.35 174.92 3gqb s THR 273 N -2.25 3.69 -0.46 5.49 2.01 -1.26 -2.48 115.64 120.39 3gqb s THR 273 Ca 0.66 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 3gqb s THR 273 Cb -0.18 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.81 3gqb s THR 273 CO 0.34 0.57 1.30 -0.62 -0.69 0.00 0.00 174.62 175.53 3gqb s ASP 274 N -0.49 6.43 0.56 3.53 -1.08 0.15 -4.64 116.67 121.14 3gqb s ASP 274 Ca 0.07 0.62 0.28 0.00 -0.52 0.00 0.00 52.55 53.00 3gqb s ASP 274 Cb -0.12 -2.54 1.65 0.00 -1.46 0.00 0.00 42.92 40.45 3gqb s ASP 274 CO 0.02 -1.40 2.18 1.55 0.52 0.00 0.00 175.17 178.04 3gqb h PRO 275 N 10.16 0.00 -0.05 4.34 0.13 -1.85 0.28 132.00 145.01 3gqb h PRO 275 Ca -0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 3gqb h PRO 275 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3gqb h PRO 275 CO 1.11 0.05 -0.65 0.87 -0.23 0.00 0.00 178.00 179.15 3gqb h LYS 276 N 0.00 0.22 0.00 0.86 1.57 -1.91 -3.39 116.57 113.92 3gqb h LYS 276 Ca -0.00 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 3gqb h LYS 276 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3gqb h LYS 276 CO 0.01 0.80 -1.34 0.25 -0.57 0.00 0.00 179.45 178.60 3gqb n THR 277 N -3.83 0.34 -0.00 -0.16 -2.24 -0.81 -5.02 114.28 102.55 3gqb n THR 277 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3gqb n THR 277 Cb 0.65 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3gqb n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqb n GLY 278 N 2.89 0.13 3.24 3.38 0.00 0.92 -5.06 105.19 110.69 3gqb n GLY 278 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3gqb n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 279 N -2.00 2.97 3.67 -0.02 0.00 -1.25 -4.78 105.19 103.77 3gqb n GLY 279 Ca 0.00 -2.30 -0.36 0.00 0.00 0.00 0.00 46.02 43.36 3gqb n GLY 279 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gqb n PRO 280 N -1.50 0.79 0.18 1.61 -0.02 -1.26 0.34 135.00 135.15 3gqb n PRO 280 Ca -0.05 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3gqb n PRO 280 Cb 0.54 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.78 3gqb n PRO 280 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gqb h LEU 281 N 0.14 0.00 -2.01 2.45 5.85 -1.75 -3.26 115.31 116.74 3gqb h LEU 281 Ca -0.49 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.36 3gqb h LEU 281 Cb 1.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3gqb h LEU 281 CO 0.50 0.00 0.34 0.24 -0.34 0.00 0.00 178.44 179.18 3gqb h MET 282 N 0.00 0.00 0.00 1.25 2.86 -1.83 -2.14 114.93 115.07 3gqb h MET 282 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gqb h MET 282 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3gqb h MET 282 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69 3gqb n HIS 283 N -4.35 0.00 -2.74 -0.22 8.25 -1.23 -1.93 115.22 113.01 3gqb n HIS 283 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.52 3gqb n HIS 283 Cb 0.55 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.75 3gqb n HIS 283 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3gqb n ARG 284 N -0.61 1.48 -3.80 -0.41 1.85 -0.80 -4.57 116.66 109.80 3gqb n ARG 284 Ca 0.03 -2.33 -0.13 0.00 -1.00 0.00 0.00 57.85 54.43 3gqb n ARG 284 Cb 0.02 -0.54 -0.12 0.00 -1.05 0.00 0.00 32.46 30.76 3gqb n ARG 284 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3gqb s THR 285 N -1.68 -0.00 -0.10 8.89 2.01 -1.05 -1.46 115.64 122.24 3gqb s THR 285 Ca 0.19 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 3gqb s THR 285 Cb 0.39 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.59 3gqb s THR 285 CO -0.08 0.01 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.10 3gqb s VAL 286 N 0.20 3.67 -0.18 3.82 1.01 -0.68 -1.41 120.40 126.84 3gqb s VAL 286 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3gqb s VAL 286 Cb -0.02 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 3gqb s VAL 286 CO -0.00 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 3gqb s LEU 287 N -0.28 2.63 -0.17 3.92 1.43 -1.02 -1.42 118.68 123.77 3gqb s LEU 287 Ca 0.04 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3gqb s LEU 287 Cb -0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3gqb s LEU 287 CO 0.02 0.05 0.39 -0.63 0.23 0.00 0.00 176.35 176.41 3gqb s ILE 288 N 1.06 5.23 -0.02 -0.59 1.09 -0.81 -1.06 121.20 126.10 3gqb s ILE 288 Ca -0.00 0.73 0.04 0.00 -1.10 0.00 0.00 60.65 60.31 3gqb s ILE 288 Cb -0.15 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 3gqb s ILE 288 CO -0.03 0.31 -0.14 0.00 -0.10 0.00 0.00 174.94 174.99 3gqb s ALA 289 N 0.87 1.17 -0.08 9.38 0.00 0.95 -0.54 121.76 133.52 3gqb s ALA 289 Ca 0.20 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 3gqb s ALA 289 Cb -0.14 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.68 3gqb s ALA 289 CO 0.07 0.26 0.43 -0.80 0.00 0.00 0.00 175.76 175.72 3gqb s ASN 290 N -0.18 -0.38 0.24 0.00 0.02 -0.42 -4.18 114.94 110.05 3gqb s ASN 290 Ca 0.02 0.50 0.11 0.00 -1.02 0.00 0.00 52.86 52.48 3gqb s ASN 290 Cb -0.07 0.57 -0.05 0.00 0.02 0.00 0.00 41.25 41.73 3gqb s ASN 290 CO 0.00 -0.37 -0.21 0.42 0.02 0.00 0.00 177.10 176.96 3gqb s THR 291 N -0.73 2.38 0.05 1.60 -4.23 -1.26 -0.83 115.64 112.62 3gqb s THR 291 Ca -0.08 -2.23 -0.08 0.00 -1.18 0.00 0.00 61.69 58.12 3gqb s THR 291 Cb -0.04 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3gqb s THR 291 CO 0.04 -0.29 0.46 -1.20 -0.54 0.00 0.00 174.62 173.10 3gqb n SER 292 N -0.21 -0.28 -0.76 3.99 7.64 -0.34 -1.06 113.62 122.60 3gqb n SER 292 Ca -0.09 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.45 3gqb n SER 292 Cb 0.58 -0.08 0.29 0.00 -1.01 0.00 0.00 64.21 63.99 3gqb n SER 292 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3gqb n ASN 293 N -4.39 2.36 -4.79 6.43 6.94 -1.26 -4.86 115.26 115.69 3gqb n ASN 293 Ca 0.01 -1.79 -0.36 0.00 -0.02 0.00 0.00 54.58 52.43 3gqb n ASN 293 Cb 0.09 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 3gqb n ASN 293 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3gqb s MET 294 N -1.98 4.45 0.25 -3.83 -1.94 -0.22 -4.93 119.30 111.10 3gqb s MET 294 Ca 0.33 1.30 -0.28 0.00 -1.71 0.00 0.00 55.69 55.33 3gqb s MET 294 Cb 0.20 -2.62 -0.15 0.00 2.01 0.00 0.00 34.83 34.27 3gqb s MET 294 CO 0.31 0.16 0.73 -2.30 -0.01 0.00 0.00 175.02 173.91 3gqb n PRO 295 N 0.20 0.62 0.05 2.03 -0.02 -1.26 -4.74 135.00 131.88 3gqb n PRO 295 Ca 0.04 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 3gqb n PRO 295 Cb 0.51 -1.39 -0.09 0.00 -0.02 0.00 0.00 33.50 32.51 3gqb n PRO 295 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gqb h VAL 296 N 1.42 0.00 -0.97 -1.45 2.07 -1.92 -2.49 116.25 112.92 3gqb h VAL 296 Ca -0.34 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.50 3gqb h VAL 296 Cb 1.39 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.00 3gqb h VAL 296 CO 0.58 0.00 0.31 0.00 0.02 0.00 0.00 177.57 178.48 3gqb h ALA 297 N -0.57 1.60 -0.38 1.67 0.00 -1.91 -1.42 119.26 118.25 3gqb h ALA 297 Ca 0.01 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3gqb h ALA 297 Cb 0.63 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3gqb h ALA 297 CO -0.31 -0.66 -0.10 0.00 0.00 0.00 0.00 179.25 178.18 3gqb h ALA 298 N 1.92 0.53 -0.10 0.00 0.00 -1.78 -0.87 119.26 118.95 3gqb h ALA 298 Ca 0.68 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.31 3gqb h ALA 298 Cb 1.57 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3gqb h ALA 298 CO -0.77 0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.12 3gqb h ARG 299 N 0.55 0.00 0.00 0.00 3.08 -1.15 0.29 114.38 117.15 3gqb h ARG 299 Ca 0.10 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.74 3gqb h ARG 299 Cb 0.62 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 3gqb h ARG 299 CO 0.04 0.00 -2.48 -1.91 -1.07 0.00 0.00 179.97 174.55 3gqb n GLU 300 N -3.30 0.64 -0.21 0.04 0.00 -1.07 -4.24 120.64 112.49 3gqb n GLU 300 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 57.16 57.35 3gqb n GLU 300 Cb 0.33 -1.52 0.12 0.00 0.00 0.00 0.00 31.44 30.37 3gqb n GLU 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gqb h ALA 301 N -0.25 0.84 0.00 4.31 0.00 -1.06 -3.37 119.26 119.74 3gqb h ALA 301 Ca -0.61 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gqb h ALA 301 Cb 1.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3gqb h ALA 301 CO -0.17 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 3gqb n SER 302 N -4.97 0.00 0.31 0.00 3.41 0.10 0.32 113.62 112.79 3gqb n SER 302 Ca 0.09 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.88 3gqb n SER 302 Cb 0.28 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.22 3gqb n SER 302 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3gqb h ILE 303 N 0.00 0.31 0.00 -1.33 3.07 -1.84 0.19 117.51 117.90 3gqb h ILE 303 Ca 0.00 -0.13 -0.01 0.00 1.55 0.00 0.00 64.86 66.28 3gqb h ILE 303 Cb 0.00 1.09 -0.00 0.00 -0.27 0.00 0.00 36.82 37.64 3gqb h ILE 303 CO 0.00 0.02 -0.04 1.88 -1.05 0.00 0.00 178.15 178.96 3gqb h TYR 304 N 0.00 0.00 -0.95 0.16 0.05 0.49 -0.66 116.97 116.06 3gqb h TYR 304 Ca -0.00 0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.07 3gqb h TYR 304 Cb 0.09 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.67 3gqb h TYR 304 CO 0.00 0.47 0.28 0.28 -1.05 0.00 0.00 178.16 178.14 3gqb h VAL 305 N -1.00 0.17 -0.08 -2.88 2.07 -1.31 0.28 116.25 113.50 3gqb h VAL 305 Ca -0.01 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 3gqb h VAL 305 Cb 0.48 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3gqb h VAL 305 CO -0.00 0.02 -0.59 1.23 0.02 0.00 0.00 177.57 178.24 3gqb h GLY 306 N 0.13 0.31 1.48 2.17 0.00 -0.99 -1.04 103.07 105.12 3gqb h GLY 306 Ca 0.65 -0.38 -0.26 0.00 0.00 0.00 0.00 47.33 47.34 3gqb h GLY 306 CO -0.74 0.34 -1.08 -0.24 0.00 0.00 0.00 176.54 174.81 3gqb h VAL 307 N 0.21 1.39 0.25 4.60 3.04 0.79 0.24 116.25 126.76 3gqb h VAL 307 Ca -0.00 -2.58 -0.01 0.00 -1.01 0.00 0.00 66.70 63.09 3gqb h VAL 307 Cb 1.10 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.98 3gqb h VAL 307 CO 0.09 0.77 -0.12 0.74 -1.01 0.00 0.00 177.57 178.05 3gqb h THR 308 N 0.21 0.80 -0.54 3.17 2.02 -0.56 0.38 112.91 118.39 3gqb h THR 308 Ca -0.12 -0.26 0.10 0.00 0.77 0.00 0.00 66.41 66.90 3gqb h THR 308 Cb 1.75 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 69.03 3gqb h THR 308 CO 0.19 0.06 0.05 0.40 0.37 0.00 0.00 175.52 176.59 3gqb h ILE 309 N -0.46 0.62 -0.85 3.11 2.04 -1.20 0.14 117.51 120.92 3gqb h ILE 309 Ca -0.03 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3gqb h ILE 309 Cb 0.35 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3gqb h ILE 309 CO 0.06 0.03 0.53 0.00 0.00 0.00 0.00 178.15 178.77 3gqb h ALA 310 N 1.46 1.15 -0.75 1.87 0.00 -0.14 -2.08 119.26 120.76 3gqb h ALA 310 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gqb h ALA 310 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gqb h ALA 310 CO -0.41 0.31 0.24 0.93 0.00 0.00 0.00 179.25 180.31 3gqb h GLU 311 N 0.99 1.17 0.31 0.00 5.08 0.18 0.35 114.58 122.67 3gqb h GLU 311 Ca 0.36 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gqb h GLU 311 Cb 0.12 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3gqb h GLU 311 CO -0.15 0.99 -0.29 -0.92 -1.00 0.00 0.00 179.01 177.64 3gqb h TYR 312 N 1.12 -0.77 -0.55 4.33 3.20 -0.14 0.20 116.97 124.36 3gqb h TYR 312 Ca 0.24 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3gqb h TYR 312 Cb 0.31 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3gqb h TYR 312 CO 0.03 -0.42 0.36 0.74 -1.64 0.00 0.00 178.16 177.23 3gqb h PHE 313 N -0.62 0.60 -0.24 -3.82 0.04 -1.32 -0.75 116.94 110.82 3gqb h PHE 313 Ca -0.02 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3gqb h PHE 313 Cb 0.56 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 3gqb h PHE 313 CO -0.17 0.35 -0.02 -0.09 -0.60 0.00 0.00 178.31 177.78 3gqb h ARG 314 N 0.62 0.04 -0.06 1.51 2.43 -0.23 -3.08 114.38 115.62 3gqb h ARG 314 Ca 0.22 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3gqb h ARG 314 Cb 0.12 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3gqb h ARG 314 CO -0.06 0.03 0.10 -0.44 -1.51 0.00 0.00 179.97 178.09 3gqb h ASP 315 N 0.04 0.00 0.06 -3.80 3.32 0.92 0.43 116.42 117.39 3gqb h ASP 315 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3gqb h ASP 315 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gqb h ASP 315 CO -0.22 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.29 3gqb n GLN 316 N -3.50 1.16 -0.71 3.56 6.02 -1.11 -4.65 117.38 118.16 3gqb n GLN 316 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3gqb n GLN 316 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3gqb n GLN 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqb n GLY 317 N 1.10 1.34 3.74 1.08 0.00 0.15 -4.92 105.19 107.68 3gqb n GLY 317 Ca 0.21 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3gqb n GLY 317 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqb s PHE 318 N -2.08 2.78 0.13 1.61 2.99 -1.15 -4.66 117.98 117.59 3gqb s PHE 318 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 56.93 56.37 3gqb s PHE 318 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 43.02 41.43 3gqb s PHE 318 CO 0.00 0.41 0.79 0.45 -0.00 0.00 0.00 175.22 176.87 3gqb s SER 319 N -3.82 7.35 -0.07 1.36 0.15 -1.26 -2.17 113.70 115.24 3gqb s SER 319 Ca 0.36 1.61 0.03 0.00 0.70 0.00 0.00 55.95 58.65 3gqb s SER 319 Cb -0.04 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 3gqb s SER 319 CO 0.23 0.13 -0.16 -0.69 1.20 0.00 0.00 173.24 173.95 3gqb s VAL 320 N -0.72 1.38 -0.25 4.45 1.01 -0.50 0.39 120.40 126.15 3gqb s VAL 320 Ca 0.38 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3gqb s VAL 320 Cb -0.22 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3gqb s VAL 320 CO 0.26 0.41 0.05 0.00 0.00 0.00 0.00 175.10 175.81 3gqb s ALA 321 N 0.46 3.08 -0.18 5.51 0.00 0.24 -1.96 121.76 128.90 3gqb s ALA 321 Ca -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 3gqb s ALA 321 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3gqb s ALA 321 CO 0.04 -0.54 -0.14 -1.17 0.00 0.00 0.00 175.76 173.96 3gqb s LEU 322 N 1.57 2.46 -0.21 0.00 2.96 -0.96 -0.32 118.68 124.18 3gqb s LEU 322 Ca 0.06 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 3gqb s LEU 322 Cb -0.15 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3gqb s LEU 322 CO 0.02 0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 174.94 3gqb s MET 323 N 1.17 2.89 -0.11 1.98 0.23 -0.93 -1.01 119.30 123.52 3gqb s MET 323 Ca 0.02 -0.92 -0.12 0.00 -1.03 0.00 0.00 55.69 53.64 3gqb s MET 323 Cb -0.14 -2.78 -0.05 0.00 -1.53 0.00 0.00 34.83 30.33 3gqb s MET 323 CO -0.06 -0.31 0.28 0.00 -2.03 0.00 0.00 175.02 172.90 3gqb s ALA 324 N 1.30 3.70 -0.28 3.16 0.00 -1.22 -2.81 121.76 125.60 3gqb s ALA 324 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3gqb s ALA 324 Cb -0.15 -2.27 0.17 0.00 0.00 0.00 0.00 23.12 20.86 3gqb s ALA 324 CO -0.08 0.33 0.54 0.34 0.00 0.00 0.00 175.76 176.88 3gqb s ASP 325 N -0.31 -0.91 -0.03 0.00 2.15 -1.02 -1.43 116.67 115.11 3gqb s ASP 325 Ca 0.18 0.76 0.03 0.00 0.43 0.00 0.00 52.55 53.95 3gqb s ASP 325 Cb -0.14 1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 44.33 3gqb s ASP 325 CO 0.06 -0.27 -0.12 -0.55 -0.17 0.00 0.00 175.17 174.12 3gqb s SER 326 N 2.77 4.21 0.22 -0.34 0.15 -1.26 -4.19 113.70 115.26 3gqb s SER 326 Ca 0.16 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 56.74 3gqb s SER 326 Cb -0.15 -0.91 0.12 0.00 -1.71 0.00 0.00 66.02 63.37 3gqb s SER 326 CO -0.19 0.33 1.47 0.00 1.20 0.00 0.00 173.24 176.04 3gqb h THR 327 N 4.18 1.43 -0.08 6.45 1.03 -1.25 -1.39 112.91 123.29 3gqb h THR 327 Ca -0.47 -2.62 -0.13 0.00 -0.01 0.00 0.00 66.41 63.18 3gqb h THR 327 Cb 1.16 2.45 -0.01 0.00 -1.07 0.00 0.00 68.15 70.68 3gqb h THR 327 CO 0.51 0.72 -0.52 0.28 -0.01 0.00 0.00 175.52 176.50 3gqb h SER 328 N 0.00 0.24 -0.05 0.00 0.02 -1.90 -2.36 113.55 109.50 3gqb h SER 328 Ca -0.01 -0.12 -0.25 0.00 -0.84 0.00 0.00 61.79 60.58 3gqb h SER 328 Cb 1.39 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.88 3gqb h SER 328 CO 0.10 0.72 -0.93 0.03 -1.14 0.00 0.00 176.83 175.60 3gqb h ARG 329 N 0.17 0.72 -0.38 3.45 3.08 -1.77 -0.84 114.38 118.81 3gqb h ARG 329 Ca 0.00 -0.71 0.08 0.00 0.07 0.00 0.00 59.98 59.42 3gqb h ARG 329 Cb 0.98 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 3gqb h ARG 329 CO 0.08 1.30 -0.28 2.35 -1.07 0.00 0.00 179.97 182.35 3gqb h TRP 330 N 0.42 -0.74 -0.89 3.04 7.01 -1.26 -1.33 115.95 122.19 3gqb h TRP 330 Ca -0.10 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.04 3gqb h TRP 330 Cb 1.58 0.38 -0.06 0.00 -2.10 0.00 0.00 29.16 28.96 3gqb h TRP 330 CO 0.10 -0.35 0.58 0.00 -2.79 0.00 0.00 178.44 175.98 3gqb h ALA 331 N 0.88 1.63 -0.10 2.65 0.00 -1.20 -0.19 119.26 122.93 3gqb h ALA 331 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gqb h ALA 331 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gqb h ALA 331 CO -0.50 0.19 0.00 1.49 0.00 0.00 0.00 179.25 180.43 3gqb h GLU 332 N 0.89 0.04 -0.55 0.00 4.22 -0.45 -1.35 114.58 117.38 3gqb h GLU 332 Ca 0.41 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.95 3gqb h GLU 332 Cb 0.39 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 3gqb h GLU 332 CO -0.18 0.02 0.12 0.00 -2.18 0.00 0.00 179.01 176.80 3gqb h ALA 333 N 1.08 0.64 0.00 2.92 0.00 0.02 0.19 119.26 124.10 3gqb h ALA 333 Ca 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gqb h ALA 333 Cb 0.05 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gqb h ALA 333 CO -0.08 -0.30 -0.02 1.25 0.00 0.00 0.00 179.25 180.11 3gqb h LEU 334 N 0.26 0.00 -0.01 0.00 5.85 -0.79 -1.96 115.31 118.66 3gqb h LEU 334 Ca 0.28 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 3gqb h LEU 334 Cb 0.39 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.43 3gqb h LEU 334 CO -0.36 0.02 -0.52 -0.09 -0.34 0.00 0.00 178.44 177.15 3gqb h ARG 335 N 0.00 0.36 -0.18 1.25 2.43 0.15 -3.04 114.38 115.35 3gqb h ARG 335 Ca -0.00 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3gqb h ARG 335 Cb 0.08 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3gqb h ARG 335 CO 0.00 1.06 0.08 1.49 -1.51 0.00 0.00 179.97 181.09 3gqb h GLU 336 N -0.18 0.26 0.44 0.20 4.22 -0.68 -0.37 114.58 118.48 3gqb h GLU 336 Ca -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 3gqb h GLU 336 Cb 1.23 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3gqb h GLU 336 CO 0.10 0.31 -0.45 0.82 -2.18 0.00 0.00 179.01 177.61 3gqb h ILE 337 N 0.14 0.10 -0.99 2.32 5.03 -1.51 0.45 117.51 123.06 3gqb h ILE 337 Ca 0.06 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.04 3gqb h ILE 337 Cb 0.15 0.10 -0.19 0.00 -3.03 0.00 0.00 36.82 33.85 3gqb h ILE 337 CO -0.01 0.00 -0.08 -0.24 -0.68 0.00 0.00 178.15 177.14 3gqb n SER 338 N -5.53 -0.20 -0.04 1.72 2.88 -1.06 0.27 113.62 111.65 3gqb n SER 338 Ca -0.11 1.69 -0.12 0.00 -1.33 0.00 0.00 58.87 59.00 3gqb n SER 338 Cb 0.43 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 3gqb n SER 338 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3gqb h SER 339 N 0.00 0.23 -0.30 -3.46 0.87 -0.14 -0.82 113.55 109.93 3gqb h SER 339 Ca 0.55 -0.31 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3gqb h SER 339 Cb 1.04 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 3gqb h SER 339 CO -0.96 0.49 0.12 0.03 -0.53 0.00 0.00 176.83 175.98 3gqb h ARG 340 N -0.03 0.26 -0.01 2.24 3.08 0.35 2.12 114.38 122.39 3gqb h ARG 340 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gqb h ARG 340 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3gqb h ARG 340 CO 0.01 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 3gqb n LEU 341 N -5.00 0.01 -1.82 3.04 4.77 0.14 -4.73 117.00 113.41 3gqb n LEU 341 Ca -0.00 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3gqb n LEU 341 Cb 0.09 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3gqb n LEU 341 CO 0.29 0.00 -0.11 1.21 -1.33 0.00 0.00 177.39 177.46 3gqb n GLU 342 N 0.44 -1.75 -2.50 3.23 2.13 0.72 -4.87 120.64 118.03 3gqb n GLU 342 Ca 0.00 0.53 -0.40 0.00 0.66 0.00 0.00 57.16 57.95 3gqb n GLU 342 Cb 0.00 -4.90 -0.04 0.00 0.27 0.00 0.00 31.44 26.77 3gqb n GLU 342 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3gqb s GLU 343 N -3.84 4.66 0.02 5.31 2.02 -0.32 -4.97 118.70 121.58 3gqb s GLU 343 Ca 0.00 1.78 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 3gqb s GLU 343 Cb 0.00 -3.20 -0.07 0.00 0.10 0.00 0.00 34.13 30.96 3gqb s GLU 343 CO 0.00 0.24 1.71 0.00 0.02 0.00 0.00 175.26 177.23 3gqb s MET 344 N -1.40 4.18 0.14 1.61 0.23 -1.26 -4.54 119.30 118.27 3gqb s MET 344 Ca 0.44 2.33 -0.32 0.00 -1.03 0.00 0.00 55.69 57.11 3gqb s MET 344 Cb -0.31 -3.83 -0.12 0.00 -1.53 0.00 0.00 34.83 29.03 3gqb s MET 344 CO 0.40 -0.81 1.74 -2.30 -2.03 0.00 0.00 175.02 172.02 3gqb n PRO 345 N 6.47 2.57 -1.93 3.16 -0.02 -1.26 -4.99 135.00 138.99 3gqb n PRO 345 Ca 0.17 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 62.28 3gqb n PRO 345 Cb 0.41 -2.77 0.19 0.00 -0.02 0.00 0.00 33.50 31.31 3gqb n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqb s ALA 346 N 1.84 2.20 -0.01 3.55 0.00 -1.25 -4.99 121.76 123.10 3gqb s ALA 346 Ca 0.80 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3gqb s ALA 346 Cb -0.56 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3gqb s ALA 346 CO 0.37 -2.50 1.40 -1.83 0.00 0.00 0.00 175.76 173.20 3gqb s GLU 347 N -5.91 4.28 -0.32 0.00 4.04 -1.26 -3.63 118.70 115.89 3gqb s GLU 347 Ca 0.75 1.95 -0.02 0.00 0.04 0.00 0.00 54.97 57.69 3gqb s GLU 347 Cb -0.03 -3.61 -0.02 0.00 0.02 0.00 0.00 34.13 30.49 3gqb s GLU 347 CO 0.53 -0.59 0.29 0.39 -1.84 0.00 0.00 175.26 174.03 3gqb n GLU 348 N 5.54 -0.67 -3.55 -4.83 4.71 -1.26 -4.53 120.64 116.05 3gqb n GLU 348 Ca 0.13 0.39 -0.19 0.00 -0.01 0.00 0.00 57.16 57.48 3gqb n GLU 348 Cb 0.44 -2.91 -0.06 0.00 -1.01 0.00 0.00 31.44 27.90 3gqb n GLU 348 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gqb n GLY 349 N -1.38 -0.08 3.59 0.62 0.00 -1.24 -4.89 105.19 101.81 3gqb n GLY 349 Ca -0.02 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3gqb n GLY 349 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqb s TYR 350 N -3.70 -0.74 0.75 1.61 1.51 -1.26 -5.02 117.35 110.50 3gqb s TYR 350 Ca 0.04 1.64 -0.15 0.00 -1.01 0.00 0.00 57.07 57.58 3gqb s TYR 350 Cb -0.02 0.32 0.01 0.00 -0.11 0.00 0.00 41.96 42.16 3gqb s TYR 350 CO 0.59 -0.46 0.86 -0.35 -1.11 0.00 0.00 175.55 175.08 3gqb n PRO 351 N 2.05 0.35 -0.08 -1.71 -0.04 -1.26 -3.81 135.00 130.50 3gqb n PRO 351 Ca -0.16 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3gqb n PRO 351 Cb 0.56 -2.14 0.06 0.00 -0.04 0.00 0.00 33.50 31.94 3gqb n PRO 351 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3gqb n PRO 352 N -1.80 1.35 0.06 0.54 -0.04 -1.26 -2.74 135.00 131.10 3gqb n PRO 352 Ca 0.12 -0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.21 3gqb n PRO 352 Cb 0.50 -1.16 0.09 0.00 -0.04 0.00 0.00 33.50 32.89 3gqb n PRO 352 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gqb n TYR 353 N -0.08 0.52 -0.38 0.54 0.53 -1.26 -4.64 117.16 112.39 3gqb n TYR 353 Ca 0.05 0.15 -0.00 0.00 -1.02 0.00 0.00 57.90 57.08 3gqb n TYR 353 Cb 0.15 -0.63 0.05 0.00 -1.03 0.00 0.00 39.34 37.88 3gqb n TYR 353 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 3gqb n LEU 354 N -2.15 -0.60 0.34 7.72 7.94 -1.11 -0.93 117.00 128.20 3gqb n LEU 354 Ca 0.02 1.72 -0.13 0.00 -1.11 0.00 0.00 56.01 56.51 3gqb n LEU 354 Cb 0.46 -0.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.93 3gqb n LEU 354 CO 0.38 -1.56 0.44 0.00 -1.11 0.00 0.00 177.39 175.54 3gqb h ALA 355 N 1.45 -1.07 -0.70 1.96 0.00 -1.87 -0.57 119.26 118.46 3gqb h ALA 355 Ca 0.36 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.22 3gqb h ALA 355 Cb 0.61 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 3gqb h ALA 355 CO -0.99 -1.01 -0.18 0.00 0.00 0.00 0.00 179.25 177.08 3gqb n ALA 356 N -2.53 0.16 0.06 0.00 0.00 -0.75 -0.51 120.51 116.93 3gqb n ALA 356 Ca -0.11 0.77 -0.20 0.00 0.00 0.00 0.00 53.44 53.90 3gqb n ALA 356 Cb 0.34 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 3gqb n ALA 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ARG 357 N 0.00 0.34 0.00 0.00 3.08 -1.04 0.23 114.38 116.99 3gqb h ARG 357 Ca 0.33 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3gqb h ARG 357 Cb 0.51 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3gqb h ARG 357 CO -0.72 1.25 0.53 -0.07 -1.07 0.00 0.00 179.97 179.89 3gqb h LEU 358 N -0.28 0.00 0.00 3.04 3.38 0.88 -0.80 115.31 121.53 3gqb h LEU 358 Ca -0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.50 3gqb h LEU 358 Cb 1.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.36 3gqb h LEU 358 CO 0.16 0.00 -2.19 0.00 0.09 0.00 0.00 178.44 176.50 3gqb n ALA 359 N -1.54 1.56 -0.24 1.53 0.00 -0.56 -1.36 120.51 119.89 3gqb n ALA 359 Ca -0.01 -0.88 0.19 0.00 0.00 0.00 0.00 53.44 52.74 3gqb n ALA 359 Cb 0.55 0.06 0.51 0.00 0.00 0.00 0.00 19.45 20.58 3gqb n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ALA 360 N -0.17 2.22 0.05 0.00 0.00 0.43 0.79 119.26 122.58 3gqb h ALA 360 Ca -0.48 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gqb h ALA 360 Cb 1.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gqb h ALA 360 CO -0.13 -0.51 -0.03 0.35 0.00 0.00 0.00 179.25 178.94 3gqb h PHE 361 N 0.40 -0.07 -0.96 0.00 3.57 -1.35 -3.31 116.94 115.22 3gqb h PHE 361 Ca 0.47 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.10 3gqb h PHE 361 Cb 1.19 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 3gqb h PHE 361 CO -0.00 -0.04 0.61 1.88 -2.23 0.00 0.00 178.31 178.53 3gqb h TYR 362 N -0.46 1.03 0.00 0.41 0.05 -1.03 -1.53 116.97 115.44 3gqb h TYR 362 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3gqb h TYR 362 Cb 0.06 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.47 3gqb h TYR 362 CO 0.02 0.39 0.00 0.39 -1.05 0.00 0.00 178.16 177.91 3gqb n GLU 363 N -4.60 0.22 0.06 4.88 -0.58 0.27 -1.52 120.64 119.37 3gqb n GLU 363 Ca 0.18 0.34 0.07 0.00 -0.42 0.00 0.00 57.16 57.33 3gqb n GLU 363 Cb 0.40 -1.84 0.32 0.00 -0.57 0.00 0.00 31.44 29.75 3gqb n GLU 363 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3gqb n ARG 364 N -2.23 0.07 -0.92 3.49 1.74 -0.57 -4.72 116.66 113.51 3gqb n ARG 364 Ca 0.03 0.43 -0.29 0.00 -0.77 0.00 0.00 57.85 57.26 3gqb n ARG 364 Cb 0.31 -1.68 0.20 0.00 -1.02 0.00 0.00 32.46 30.27 3gqb n ARG 364 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqb s ALA 365 N -3.18 0.47 0.00 7.54 0.00 -0.57 -4.94 121.76 121.08 3gqb s ALA 365 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3gqb s ALA 365 Cb 0.06 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3gqb s ALA 365 CO 0.21 -3.18 0.00 0.41 0.00 0.00 0.00 175.76 173.20 3gqb n GLY 366 N -0.34 4.56 3.85 0.00 0.00 -0.76 -4.97 105.19 107.54 3gqb n GLY 366 Ca 0.05 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 3gqb n GLY 366 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqb s LYS 367 N -3.58 3.58 0.05 1.61 2.20 -1.26 -1.55 119.74 120.80 3gqb s LYS 367 Ca 0.00 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 3gqb s LYS 367 Cb 0.00 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 3gqb s LYS 367 CO 0.00 0.70 0.14 0.14 -0.36 0.00 0.00 175.35 175.97 3gqb s VAL 368 N -0.80 0.14 -0.28 4.02 -7.23 0.93 0.46 120.40 117.63 3gqb s VAL 368 Ca 0.14 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 3gqb s VAL 368 Cb -0.12 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 3gqb s VAL 368 CO 0.03 -0.62 0.46 -0.51 -0.31 0.00 0.00 175.10 174.15 3gqb s ILE 369 N -3.05 5.10 1.17 -0.62 2.07 -0.49 -1.10 121.20 124.28 3gqb s ILE 369 Ca -0.01 0.63 -0.15 0.00 -1.41 0.00 0.00 60.65 59.71 3gqb s ILE 369 Cb 0.01 -3.81 0.27 0.00 0.13 0.00 0.00 42.46 39.07 3gqb s ILE 369 CO -0.07 0.05 1.04 0.42 -1.91 0.00 0.00 174.94 174.47 3gqb s THR 370 N 2.23 1.83 0.54 4.00 -4.23 -0.29 -1.69 115.64 118.02 3gqb s THR 370 Ca 0.18 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.96 3gqb s THR 370 Cb -0.16 -2.26 0.32 0.00 1.34 0.00 0.00 72.50 71.75 3gqb s THR 370 CO 0.10 0.00 2.20 -0.07 -0.54 0.00 0.00 174.62 176.31 3gqb h LEU 371 N -2.55 0.00 -0.00 4.79 3.38 -1.87 -2.43 115.31 116.63 3gqb h LEU 371 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3gqb h LEU 371 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3gqb h LEU 371 CO 0.48 0.03 -0.05 0.61 0.09 0.00 0.00 178.44 179.60 3gqb n GLY 372 N -1.22 -1.47 0.00 0.83 0.00 -1.24 -4.65 105.19 97.44 3gqb n GLY 372 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3gqb n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqb n GLY 373 N 1.49 2.66 3.26 -0.02 0.00 -0.91 -4.91 105.19 106.77 3gqb n GLY 373 Ca 0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3gqb n GLY 373 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqb n GLU 374 N 0.00 -2.53 -4.27 1.61 -0.58 -1.26 -4.55 120.64 109.05 3gqb n GLU 374 Ca 0.00 -0.73 -0.30 0.00 -0.42 0.00 0.00 57.16 55.71 3gqb n GLU 374 Cb 0.00 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 28.96 3gqb n GLU 374 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3gqb s GLU 375 N -3.93 2.22 0.27 3.49 2.12 -1.26 -1.14 118.70 120.46 3gqb s GLU 375 Ca 0.58 -0.97 -0.20 0.00 0.36 0.00 0.00 54.97 54.74 3gqb s GLU 375 Cb -0.14 -2.35 0.05 0.00 0.26 0.00 0.00 34.13 31.96 3gqb s GLU 375 CO 0.59 0.52 0.86 0.20 -0.54 0.00 0.00 175.26 176.90 3gqb s GLY 376 N -2.07 0.09 0.14 -1.50 0.00 -0.26 -4.11 107.32 99.61 3gqb s GLY 376 Ca 0.21 -0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.34 3gqb s GLY 376 CO 0.13 0.41 0.51 0.00 0.00 0.00 0.00 173.10 174.15 3gqb s ALA 377 N -2.83 -1.29 -0.21 3.20 0.00 -0.92 -0.05 121.76 119.65 3gqb s ALA 377 Ca 0.15 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 3gqb s ALA 377 Cb -0.04 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.91 3gqb s ALA 377 CO 0.07 -0.69 0.03 0.08 0.00 0.00 0.00 175.76 175.25 3gqb s VAL 378 N -3.67 0.66 -0.27 0.00 1.01 -0.59 -1.41 120.40 116.12 3gqb s VAL 378 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3gqb s VAL 378 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3gqb s VAL 378 CO -0.12 -0.25 0.18 -0.89 0.00 0.00 0.00 175.10 174.03 3gqb s THR 379 N 1.79 5.31 -0.18 3.92 2.01 -0.83 -1.82 115.64 125.84 3gqb s THR 379 Ca -0.00 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 3gqb s THR 379 Cb -0.17 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3gqb s THR 379 CO -0.10 0.27 0.13 -0.63 -0.69 0.00 0.00 174.62 173.60 3gqb s ILE 380 N 1.64 5.39 -0.54 1.82 1.01 -0.66 -2.25 121.20 127.60 3gqb s ILE 380 Ca 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 3gqb s ILE 380 Cb -0.16 -3.44 0.14 0.00 0.01 0.00 0.00 42.46 39.02 3gqb s ILE 380 CO 0.10 0.47 0.32 -0.69 0.00 0.00 0.00 174.94 175.14 3gqb s VAL 381 N 0.12 3.17 0.41 2.92 1.01 -0.18 -1.29 120.40 126.56 3gqb s VAL 381 Ca 0.09 -2.91 -0.19 0.00 0.00 0.00 0.00 61.98 58.97 3gqb s VAL 381 Cb -0.11 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 3gqb s VAL 381 CO -0.01 -0.80 0.90 -0.83 0.00 0.00 0.00 175.10 174.36 3gqb s GLY 382 N 0.53 2.33 -0.11 4.51 0.00 0.17 -3.40 107.32 111.35 3gqb s GLY 382 Ca 0.15 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 3gqb s GLY 382 CO -0.03 0.54 0.02 0.00 0.00 0.00 0.00 173.10 173.63 3gqb s ALA 383 N -2.19 3.32 -0.29 3.20 0.00 -0.52 -0.38 121.76 124.91 3gqb s ALA 383 Ca 0.60 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3gqb s ALA 383 Cb -0.09 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 3gqb s ALA 383 CO 0.16 0.51 0.10 0.08 0.00 0.00 0.00 175.76 176.62 3gqb s VAL 384 N -0.64 4.25 -0.61 0.00 1.01 0.14 -0.96 120.40 123.59 3gqb s VAL 384 Ca 0.11 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3gqb s VAL 384 Cb -0.12 -3.14 0.19 0.00 0.00 0.00 0.00 36.38 33.31 3gqb s VAL 384 CO 0.02 0.13 0.51 -1.20 0.00 0.00 0.00 175.10 174.56 3gqb n SER 385 N 4.92 2.18 -4.16 3.32 7.64 -1.26 -3.48 113.62 122.77 3gqb n SER 385 Ca -0.15 -3.03 -0.39 0.00 1.01 0.00 0.00 58.87 56.31 3gqb n SER 385 Cb 0.49 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 3gqb n SER 385 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3gqb s PRO 386 N -1.29 2.68 0.54 1.43 0.04 -1.26 -4.85 135.00 132.29 3gqb s PRO 386 Ca 0.30 -2.30 0.10 0.00 0.04 0.00 0.00 61.00 59.14 3gqb s PRO 386 Cb 0.02 -3.88 0.35 0.00 0.04 0.00 0.00 34.50 31.03 3gqb s PRO 386 CO -0.15 -1.19 0.96 -2.30 0.04 0.00 0.00 177.00 174.37 3gqb n PRO 387 N 3.96 0.02 0.31 0.56 -0.02 -1.26 0.17 135.00 138.74 3gqb n PRO 387 Ca 0.05 0.83 0.20 0.00 -2.02 0.00 0.00 63.50 62.57 3gqb n PRO 387 Cb 0.40 -2.17 1.04 0.00 -0.02 0.00 0.00 33.50 32.76 3gqb n PRO 387 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gqb h GLY 388 N 0.00 0.00 -5.65 -1.23 0.00 -2.03 -3.46 103.07 90.70 3gqb h GLY 388 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.16 3gqb h GLY 388 CO -0.00 0.00 -0.69 0.61 0.00 0.00 0.00 176.54 176.46 3gqb n GLY 389 N -0.85 -0.45 3.09 4.60 0.00 0.46 -4.99 105.19 107.05 3gqb n GLY 389 Ca -0.02 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3gqb n GLY 389 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gqb s ASP 390 N -3.67 4.81 0.00 1.61 -4.77 -1.25 -4.96 116.67 108.44 3gqb s ASP 390 Ca 0.37 -1.72 0.03 0.00 -3.30 0.00 0.00 52.55 47.93 3gqb s ASP 390 Cb -0.16 -1.67 0.19 0.00 -1.09 0.00 0.00 42.92 40.19 3gqb s ASP 390 CO 0.71 -0.33 0.52 0.23 0.70 0.00 0.00 175.17 177.00 3gqb n MET 391 N 4.45 0.22 -0.04 2.11 2.81 -1.26 -3.02 117.12 122.39 3gqb n MET 391 Ca -0.06 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.70 3gqb n MET 391 Cb 0.42 -1.22 -0.14 0.00 -0.71 0.00 0.00 33.22 31.57 3gqb n MET 391 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3gqb n SER 392 N -0.72 1.17 -0.24 7.83 3.41 -1.26 -4.28 113.62 119.52 3gqb n SER 392 Ca 0.02 0.24 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 3gqb n SER 392 Cb 0.01 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3gqb n SER 392 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gqb n GLU 393 N -3.13 0.00 0.02 4.33 2.13 -1.17 -4.67 120.64 118.15 3gqb n GLU 393 Ca -0.26 0.00 0.22 0.00 0.66 0.00 0.00 57.16 57.78 3gqb n GLU 393 Cb 1.06 -0.08 0.66 0.00 0.27 0.00 0.00 31.44 33.36 3gqb n GLU 393 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3gqb h PRO 394 N 0.34 0.00 0.59 5.31 0.11 -1.91 -0.56 132.00 135.88 3gqb h PRO 394 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3gqb h PRO 394 Cb 0.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.19 3gqb h PRO 394 CO 0.05 0.00 -0.28 0.28 -0.21 0.00 0.00 178.00 177.84 3gqb h VAL 395 N 0.00 0.41 -0.25 3.15 2.07 -1.96 -1.21 116.25 118.45 3gqb h VAL 395 Ca 0.27 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3gqb h VAL 395 Cb 1.57 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3gqb h VAL 395 CO -0.00 0.01 0.11 0.74 0.02 0.00 0.00 177.57 178.45 3gqb h THR 396 N -0.84 0.96 -0.37 2.57 2.02 -1.41 -1.74 112.91 114.10 3gqb h THR 396 Ca -0.08 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.06 3gqb h THR 396 Cb 0.63 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 3gqb h THR 396 CO 0.13 0.04 -0.43 1.56 0.37 0.00 0.00 175.52 177.20 3gqb h GLN 397 N 0.24 -0.25 0.30 6.66 4.20 -1.41 0.62 115.11 125.45 3gqb h GLN 397 Ca 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3gqb h GLN 397 Cb 0.05 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3gqb h GLN 397 CO -0.09 -0.17 -0.22 0.77 -0.67 0.00 0.00 178.83 178.45 3gqb h SER 398 N -0.26 -0.56 -0.96 1.46 0.02 -1.03 0.42 113.55 112.64 3gqb h SER 398 Ca 0.06 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 3gqb h SER 398 Cb 0.44 0.18 -0.13 0.00 0.14 0.00 0.00 62.40 63.02 3gqb h SER 398 CO -0.49 -0.34 -0.50 0.74 -1.14 0.00 0.00 176.83 175.11 3gqb h THR 399 N -0.51 0.01 0.00 -2.27 2.02 -1.30 -1.79 112.91 109.06 3gqb h THR 399 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3gqb h THR 399 Cb 0.44 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3gqb h THR 399 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 3gqb n LEU 400 N -5.35 0.67 0.00 2.58 4.77 0.20 -0.15 117.00 119.72 3gqb n LEU 400 Ca 0.05 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 3gqb n LEU 400 Cb 0.33 -0.45 0.58 0.00 -2.33 0.00 0.00 43.42 41.55 3gqb n LEU 400 CO -0.14 -0.34 0.93 -1.14 -1.33 0.00 0.00 177.39 175.37 3gqb n ARG 401 N -2.18 0.01 0.00 3.23 0.00 0.14 -4.35 116.66 113.52 3gqb n ARG 401 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3gqb n ARG 401 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3gqb n ARG 401 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3gqb n ILE 402 N -1.49 0.00 -1.81 5.15 5.41 -0.23 -5.07 119.36 121.32 3gqb n ILE 402 Ca 0.07 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.49 3gqb n ILE 402 Cb 0.31 -0.55 0.04 0.00 -0.71 0.00 0.00 39.64 38.73 3gqb n ILE 402 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3gqb s VAL 403 N -1.83 3.30 -2.14 1.39 -7.23 0.79 -4.95 120.40 109.74 3gqb s VAL 403 Ca 0.00 0.61 0.30 0.00 -1.81 0.00 0.00 61.98 61.08 3gqb s VAL 403 Cb 0.00 -3.14 0.65 0.00 0.56 0.00 0.00 36.38 34.45 3gqb s VAL 403 CO 0.00 -0.37 1.93 0.61 -0.31 0.00 0.00 175.10 176.97 3gqb n GLY 404 N -0.55 -0.55 3.49 2.32 0.00 -0.87 -4.88 105.19 104.14 3gqb n GLY 404 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3gqb n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqb s ALA 405 N -2.11 -1.79 -0.07 4.61 0.00 -1.20 0.17 121.76 121.38 3gqb s ALA 405 Ca 0.39 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3gqb s ALA 405 Cb 0.21 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.82 3gqb s ALA 405 CO 0.38 -0.69 -0.07 0.12 0.00 0.00 0.00 175.76 175.49 3gqb s PHE 406 N -3.18 1.13 -0.69 0.00 5.36 -0.92 -2.11 117.98 117.57 3gqb s PHE 406 Ca 0.04 -0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 55.49 3gqb s PHE 406 Cb -0.01 -0.93 0.18 0.00 -0.34 0.00 0.00 43.02 41.92 3gqb s PHE 406 CO -0.09 -0.30 0.57 -1.58 -1.46 0.00 0.00 175.22 172.36 3gqb s TRP 407 N 1.09 3.56 -0.50 10.12 0.51 0.63 -1.83 118.94 132.53 3gqb s TRP 407 Ca -0.07 -2.18 -0.28 0.00 -2.12 0.00 0.00 56.10 51.44 3gqb s TRP 407 Cb -0.14 -3.56 0.01 0.00 -0.81 0.00 0.00 33.47 28.98 3gqb s TRP 407 CO -0.01 -0.94 1.37 0.50 -0.51 0.00 0.00 176.95 177.36 3gqb s ARG 408 N 0.35 3.45 0.58 4.98 6.06 -1.26 -4.09 118.95 129.02 3gqb s ARG 408 Ca 0.15 0.63 -0.09 0.00 -2.50 0.00 0.00 55.73 53.92 3gqb s ARG 408 Cb -0.17 -4.06 -0.03 0.00 0.06 0.00 0.00 34.95 30.75 3gqb s ARG 408 CO -0.05 -1.74 0.94 -0.51 -2.50 0.00 0.00 175.30 171.45 3gqb s LEU 409 N 5.62 3.33 -0.28 -0.88 1.43 -1.26 -0.32 118.68 126.31 3gqb s LEU 409 Ca 0.55 1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 3gqb s LEU 409 Cb -0.11 -4.12 0.14 0.00 0.03 0.00 0.00 46.19 42.13 3gqb s LEU 409 CO 0.29 -0.85 0.60 -0.62 0.23 0.00 0.00 176.35 176.00 3gqb s ASP 410 N -4.19 -1.03 0.19 2.29 -1.08 -0.36 -4.82 116.67 107.66 3gqb s ASP 410 Ca 0.53 1.27 0.24 0.00 -0.52 0.00 0.00 52.55 54.07 3gqb s ASP 410 Cb -0.11 2.10 0.91 0.00 -1.46 0.00 0.00 42.92 44.36 3gqb s ASP 410 CO 0.50 -0.24 1.73 0.00 0.52 0.00 0.00 175.17 177.68 3gqb n ALA 411 N 5.43 1.94 -0.05 3.66 0.00 -1.26 -2.55 120.51 127.68 3gqb n ALA 411 Ca -0.08 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 3gqb n ALA 411 Cb 0.50 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 3gqb n ALA 411 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqb h SER 412 N 0.00 0.34 -0.59 0.00 0.87 -1.92 -1.38 113.55 110.87 3gqb h SER 412 Ca 0.00 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 59.96 3gqb h SER 412 Cb 0.49 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3gqb h SER 412 CO 0.00 0.80 0.08 0.25 -0.53 0.00 0.00 176.83 177.43 3gqb h LEU 413 N -0.11 0.95 -0.25 2.23 5.85 -1.82 -2.80 115.31 119.37 3gqb h LEU 413 Ca 0.01 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3gqb h LEU 413 Cb 0.72 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3gqb h LEU 413 CO 0.04 0.98 -0.03 0.00 -0.34 0.00 0.00 178.44 179.08 3gqb h ALA 414 N 1.01 0.19 -0.79 1.25 0.00 -1.43 -1.82 119.26 117.66 3gqb h ALA 414 Ca 0.18 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.30 3gqb h ALA 414 Cb 0.44 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3gqb h ALA 414 CO 0.01 -0.45 0.37 0.35 0.00 0.00 0.00 179.25 179.54 3gqb h PHE 415 N 0.03 0.65 0.00 0.00 3.57 -1.05 0.75 116.94 120.90 3gqb h PHE 415 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gqb h PHE 415 Cb 0.17 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3gqb h PHE 415 CO -0.23 0.15 0.00 0.54 -2.23 0.00 0.00 178.31 176.55 3gqb n ARG 416 N -4.91 0.14 -0.91 1.11 1.74 -0.83 -4.87 116.66 108.13 3gqb n ARG 416 Ca 0.15 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 3gqb n ARG 416 Cb 0.39 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3gqb n ARG 416 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gqb n ARG 417 N -2.15 0.00 -3.25 5.56 1.74 0.26 -5.06 116.66 113.75 3gqb n ARG 417 Ca 0.00 0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 3gqb n ARG 417 Cb 0.12 -3.19 -0.07 0.00 -1.02 0.00 0.00 32.46 28.30 3gqb n ARG 417 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3gqb s HIS 418 N -2.00 3.37 -0.01 -1.55 2.46 -0.75 -5.00 115.29 111.81 3gqb s HIS 418 Ca 0.00 0.76 -0.01 0.00 0.47 0.00 0.00 55.06 56.28 3gqb s HIS 418 Cb 0.00 -2.66 0.01 0.00 -0.13 0.00 0.00 32.58 29.79 3gqb s HIS 418 CO 0.00 -0.10 0.03 -0.06 -2.47 0.00 0.00 174.74 172.15 3gqb s PHE 419 N 1.61 -0.03 0.18 3.88 0.40 -1.26 -3.20 117.98 119.56 3gqb s PHE 419 Ca 0.24 0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 3gqb s PHE 419 Cb -0.15 -0.01 -0.07 0.00 0.51 0.00 0.00 43.02 43.29 3gqb s PHE 419 CO 0.10 -0.03 0.96 -1.25 0.70 0.00 0.00 175.22 175.70 3gqb s PRO 420 N 0.14 4.76 -0.01 0.24 0.04 -1.26 -1.53 135.00 137.39 3gqb s PRO 420 Ca -0.01 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 3gqb s PRO 420 Cb -0.02 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3gqb s PRO 420 CO -0.00 0.34 0.65 0.00 0.04 0.00 0.00 177.00 178.03 3gqb n ALA 421 N 2.14 1.17 -2.48 8.56 0.00 -1.19 -4.84 120.51 123.86 3gqb n ALA 421 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 3gqb n ALA 421 Cb 0.48 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.58 3gqb n ALA 421 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gqb s ILE 422 N 3.17 4.96 -0.35 0.00 2.07 -1.26 -1.23 121.20 128.56 3gqb s ILE 422 Ca 0.02 1.04 -0.20 0.00 -1.41 0.00 0.00 60.65 60.11 3gqb s ILE 422 Cb 0.01 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.77 3gqb s ILE 422 CO -0.00 0.49 0.60 0.21 -1.91 0.00 0.00 174.94 174.33 3gqb s ASN 423 N -0.57 6.40 0.40 4.50 3.84 0.57 -4.96 114.94 125.12 3gqb s ASN 423 Ca 0.27 0.10 0.12 0.00 0.21 0.00 0.00 52.86 53.56 3gqb s ASN 423 Cb -0.17 -2.31 0.84 0.00 -0.55 0.00 0.00 41.25 39.05 3gqb s ASN 423 CO 0.15 -0.56 1.91 4.11 -2.79 0.00 0.00 177.10 179.92 3gqb h TRP 424 N 8.46 0.06 0.00 0.43 0.09 -1.90 -0.89 115.95 122.20 3gqb h TRP 424 Ca -0.27 -0.01 -0.27 0.00 0.09 0.00 0.00 58.89 58.44 3gqb h TRP 424 Cb 1.11 -0.02 0.02 0.00 0.08 0.00 0.00 29.16 30.36 3gqb h TRP 424 CO 0.74 0.30 -1.04 -0.91 0.09 0.00 0.00 178.44 177.62 3gqb h ASN 425 N 0.05 0.89 0.40 0.11 4.21 -1.98 -3.34 115.58 115.93 3gqb h ASN 425 Ca 0.01 -0.72 -0.23 0.00 1.21 0.00 0.00 56.30 56.57 3gqb h ASN 425 Cb 0.47 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 3gqb h ASN 425 CO 0.03 1.52 -1.00 1.23 -1.29 0.00 0.00 177.43 177.93 3gqb h GLY 426 N 0.46 0.42 -1.19 2.83 0.00 -1.92 -3.47 103.07 100.20 3gqb h GLY 426 Ca -0.13 -0.78 -0.47 0.00 0.00 0.00 0.00 47.33 45.95 3gqb h GLY 426 CO 0.20 0.69 0.27 -0.56 0.00 0.00 0.00 176.54 177.14 3gqb s SER 427 N -7.09 5.16 0.25 0.19 0.01 -0.35 -4.83 113.70 107.05 3gqb s SER 427 Ca -0.05 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 57.70 3gqb s SER 427 Cb 0.09 -1.49 0.04 0.00 0.21 0.00 0.00 66.02 64.87 3gqb s SER 427 CO 0.87 -1.41 0.82 -0.72 0.41 0.00 0.00 173.24 173.21 3gqb s TYR 428 N -3.22 -0.13 -0.01 2.43 1.13 -0.76 -4.90 117.35 111.89 3gqb s TYR 428 Ca 0.58 -0.31 0.01 0.00 -1.41 0.00 0.00 57.07 55.94 3gqb s TYR 428 Cb -0.11 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.46 3gqb s TYR 428 CO 0.47 -1.13 -0.02 0.45 -2.51 0.00 0.00 175.55 172.81 3gqb s SER 429 N -2.97 0.26 0.00 -0.18 0.15 -1.26 -2.17 113.70 107.53 3gqb s SER 429 Ca 0.12 -0.03 0.21 0.00 0.70 0.00 0.00 55.95 56.95 3gqb s SER 429 Cb -0.04 -0.06 -0.20 0.00 -1.71 0.00 0.00 66.02 64.01 3gqb s SER 429 CO 0.06 0.00 0.90 0.18 1.20 0.00 0.00 173.24 175.58 3gqb n LEU 430 N 3.23 1.11 -0.03 3.45 4.77 0.46 -4.44 117.00 125.55 3gqb n LEU 430 Ca -0.15 -0.53 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 3gqb n LEU 430 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 3gqb n LEU 430 CO 0.25 0.26 -0.60 0.49 -1.33 0.00 0.00 177.39 176.46 3gqb n PHE 431 N -1.30 0.93 -0.16 -1.77 3.01 -1.24 -4.49 117.46 112.45 3gqb n PHE 431 Ca 0.05 0.32 0.02 0.00 1.01 0.00 0.00 57.45 58.85 3gqb n PHE 431 Cb 0.34 -1.17 0.05 0.00 -0.01 0.00 0.00 39.48 38.69 3gqb n PHE 431 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3gqb n THR 432 N -3.05 -0.19 -0.18 4.37 -2.24 -1.26 -1.66 114.28 110.07 3gqb n THR 432 Ca -0.19 0.99 -0.03 0.00 -2.27 0.00 0.00 64.05 62.54 3gqb n THR 432 Cb 1.06 -1.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.00 3gqb n THR 432 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3gqb h SER 433 N 0.00 0.33 0.20 3.42 0.87 -1.91 -2.88 113.55 113.58 3gqb h SER 433 Ca 0.20 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3gqb h SER 433 Cb 0.30 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3gqb h SER 433 CO -0.44 0.22 -0.18 0.00 -0.53 0.00 0.00 176.83 175.90 3gqb n ALA 434 N -2.37 2.93 1.10 6.23 0.00 -0.66 -3.49 120.51 124.25 3gqb n ALA 434 Ca 0.06 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.23 3gqb n ALA 434 Cb 0.17 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 18.72 3gqb n ALA 434 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gqb n LEU 435 N -0.54 0.81 -0.15 0.00 4.77 -1.09 -4.41 117.00 116.39 3gqb n LEU 435 Ca 0.14 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3gqb n LEU 435 Cb 0.34 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3gqb n LEU 435 CO 0.24 0.17 0.94 0.44 -1.33 0.00 0.00 177.39 177.84 3gqb h ASP 436 N 0.60 0.62 -0.23 -1.43 5.19 -1.58 -0.49 116.42 119.09 3gqb h ASP 436 Ca 0.00 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.30 3gqb h ASP 436 Cb 0.51 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 3gqb h ASP 436 CO 0.00 0.62 -0.31 -0.65 -3.12 0.00 0.00 179.24 175.78 3gqb h PRO 437 N 0.58 -0.31 -0.78 3.56 0.11 -1.83 0.23 132.00 133.57 3gqb h PRO 437 Ca 0.15 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.42 3gqb h PRO 437 Cb 0.19 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 3gqb h PRO 437 CO -0.01 -0.21 0.34 2.35 -0.21 0.00 0.00 178.00 180.26 3gqb h TRP 438 N -0.33 0.58 0.72 0.65 7.01 -1.78 -0.54 115.95 122.26 3gqb h TRP 438 Ca 0.13 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3gqb h TRP 438 Cb 0.53 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 3gqb h TRP 438 CO -0.45 0.10 -0.47 1.88 -2.79 0.00 0.00 178.44 176.71 3gqb h TYR 439 N 0.49 -1.27 -0.74 2.65 0.99 0.11 0.60 116.97 119.81 3gqb h TYR 439 Ca 0.42 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.27 3gqb h TYR 439 Cb 0.63 0.46 -0.05 0.00 1.00 0.00 0.00 36.73 38.77 3gqb h TYR 439 CO -0.14 -0.70 0.49 0.00 -0.00 0.00 0.00 178.16 177.81 3gqb h ARG 440 N -1.13 0.50 0.00 4.88 3.08 -0.27 0.27 114.38 121.72 3gqb h ARG 440 Ca -0.09 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 3gqb h ARG 440 Cb 0.92 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 3gqb h ARG 440 CO 0.07 0.33 -0.94 0.93 -1.07 0.00 0.00 179.97 179.29 3gqb h GLU 441 N 0.51 0.00 0.00 0.04 3.07 -0.61 -3.11 114.58 114.48 3gqb h GLU 441 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3gqb h GLU 441 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3gqb h GLU 441 CO -0.12 0.94 0.00 0.09 -1.40 0.00 0.00 179.01 178.52 3gqb n ASN 442 N -3.35 0.15 0.00 1.42 3.02 0.20 -4.82 115.26 111.88 3gqb n ASN 442 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 3gqb n ASN 442 Cb 0.91 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 3gqb n ASN 442 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gqb n VAL 443 N -0.73 0.00 0.00 2.41 0.31 0.86 -4.96 118.33 116.23 3gqb n VAL 443 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gqb n VAL 443 Cb 0.01 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3gqb n VAL 443 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqb n ALA 444 N -2.78 0.00 -0.40 3.52 0.00 -1.05 -4.90 120.51 114.90 3gqb n ALA 444 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 3gqb n ALA 444 Cb 0.40 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.47 3gqb n ALA 444 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gqb h GLU 445 N 0.00 0.17 -1.76 0.00 4.57 -1.81 -1.38 114.58 114.37 3gqb h GLU 445 Ca 0.00 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.50 3gqb h GLU 445 Cb 0.00 -0.04 -0.35 0.00 -0.16 0.00 0.00 28.75 28.20 3gqb h GLU 445 CO 0.00 0.11 0.06 -0.40 -1.18 0.00 0.00 179.01 177.60 3gqb n ASP 446 N -4.57 5.94 0.01 1.04 5.75 -1.26 -4.69 116.55 118.77 3gqb n ASP 446 Ca 0.32 -3.77 -0.01 0.00 -0.01 0.00 0.00 54.79 51.33 3gqb n ASP 446 Cb 1.25 -0.73 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3gqb n ASP 446 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gqb h TYR 447 N 2.80 -0.04 -0.96 2.11 3.20 -1.57 -3.26 116.97 119.25 3gqb h TYR 447 Ca 0.41 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.45 3gqb h TYR 447 Cb 0.52 0.01 -0.17 0.00 1.54 0.00 0.00 36.73 38.64 3gqb h TYR 447 CO 0.98 -0.02 -0.34 -1.35 -1.64 0.00 0.00 178.16 175.79 3gqb h PRO 448 N -0.11 -0.01 -0.33 1.82 0.11 -1.86 0.21 132.00 131.84 3gqb h PRO 448 Ca -0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.17 3gqb h PRO 448 Cb 0.03 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.08 3gqb h PRO 448 CO 0.01 -0.01 -0.10 1.05 -0.21 0.00 0.00 178.00 178.74 3gqb h GLU 449 N -0.01 -0.03 -0.70 1.05 9.09 -1.93 0.65 114.58 122.70 3gqb h GLU 449 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 3gqb h GLU 449 Cb 0.63 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.70 3gqb h GLU 449 CO -0.98 -0.02 0.45 -0.07 0.05 0.00 0.00 179.01 178.45 3gqb h LEU 450 N -0.03 0.82 -0.71 3.06 3.38 -1.03 0.59 115.31 121.39 3gqb h LEU 450 Ca 0.16 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3gqb h LEU 450 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3gqb h LEU 450 CO -0.35 0.61 -0.62 0.08 0.09 0.00 0.00 178.44 178.25 3gqb h ARG 451 N 0.96 0.00 -0.37 1.13 0.11 -0.93 -2.51 114.38 112.77 3gqb h ARG 451 Ca 0.26 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.18 3gqb h ARG 451 Cb -0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 3gqb h ARG 451 CO -0.05 0.62 -0.37 -0.44 0.10 0.00 0.00 179.97 179.83 3gqb h ASP 452 N 0.00 0.96 0.00 0.08 5.19 0.13 -1.70 116.42 121.08 3gqb h ASP 452 Ca -0.01 -0.47 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 3gqb h ASP 452 Cb 1.13 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 3gqb h ASP 452 CO 0.08 1.23 -0.04 0.00 -3.12 0.00 0.00 179.24 177.39 3gqb h ALA 453 N 0.76 1.78 0.01 3.45 0.00 0.29 -0.95 119.26 124.60 3gqb h ALA 453 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gqb h ALA 453 Cb 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gqb h ALA 453 CO 0.09 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.32 3gqb h ILE 454 N 0.11 1.54 0.00 0.00 1.08 -1.11 -1.74 117.51 117.40 3gqb h ILE 454 Ca 0.03 -1.90 -0.01 0.00 -0.39 0.00 0.00 64.86 62.59 3gqb h ILE 454 Cb 0.16 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.70 3gqb h ILE 454 CO 0.01 0.48 -0.05 0.77 -0.69 0.00 0.00 178.15 178.67 3gqb h SER 455 N -0.86 0.00 -0.26 1.72 4.64 -1.28 -1.03 113.55 116.48 3gqb h SER 455 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3gqb h SER 455 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3gqb h SER 455 CO 0.00 0.05 -0.60 -0.33 -0.87 0.00 0.00 176.83 175.08 3gqb h GLU 456 N 0.00 0.86 0.00 4.77 4.39 -1.08 -1.67 114.58 121.85 3gqb h GLU 456 Ca -0.00 -0.58 -0.09 0.00 0.34 0.00 0.00 59.36 59.03 3gqb h GLU 456 Cb 0.12 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3gqb h GLU 456 CO 0.01 1.21 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.56 3gqb h LEU 457 N 0.65 0.00 0.27 1.33 3.38 -0.70 -2.91 115.31 117.33 3gqb h LEU 457 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gqb h LEU 457 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3gqb h LEU 457 CO 0.13 0.44 -0.13 -0.07 0.09 0.00 0.00 178.44 178.90 3gqb h LEU 458 N 0.00 -0.31 -0.56 1.67 3.38 -0.94 0.31 115.31 118.86 3gqb h LEU 458 Ca -0.00 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.87 3gqb h LEU 458 Cb 0.79 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 3gqb h LEU 458 CO 0.06 0.04 -0.36 1.56 0.09 0.00 0.00 178.44 179.83 3gqb h GLN 459 N -0.70 -0.19 -0.67 1.13 4.20 -1.36 0.33 115.11 117.85 3gqb h GLN 459 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3gqb h GLN 459 Cb 0.48 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3gqb h GLN 459 CO 0.06 -0.13 0.36 -0.09 -0.67 0.00 0.00 178.83 178.37 3gqb h ARG 460 N -0.20 0.94 -0.48 1.46 2.43 -1.37 0.28 114.38 117.45 3gqb h ARG 460 Ca 0.21 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3gqb h ARG 460 Cb 0.56 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 3gqb h ARG 460 CO -0.66 0.71 0.15 1.49 -1.51 0.00 0.00 179.97 180.15 3gqb h GLU 461 N 0.92 0.30 -0.95 0.20 4.81 0.22 -2.29 114.58 117.79 3gqb h GLU 461 Ca 0.23 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3gqb h GLU 461 Cb 0.05 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3gqb h GLU 461 CO -0.04 0.20 0.63 0.00 -0.73 0.00 0.00 179.01 179.07 3gqb h ALA 462 N 1.33 1.33 -0.46 2.92 0.00 0.15 -2.26 119.26 122.27 3gqb h ALA 462 Ca 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gqb h ALA 462 Cb 0.26 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gqb h ALA 462 CO -0.26 0.62 0.07 0.41 0.00 0.00 0.00 179.25 180.09 3gqb n GLY 463 N -1.39 2.76 0.47 0.00 0.00 0.80 -4.04 105.19 103.79 3gqb n GLY 463 Ca 0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 3gqb n GLY 463 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gqb n LEU 464 N 0.28 1.55 0.00 0.99 4.77 -0.88 -4.24 117.00 119.47 3gqb n LEU 464 Ca 0.23 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3gqb n LEU 464 Cb 1.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3gqb n LEU 464 CO 0.27 0.32 0.49 0.00 -1.33 0.00 0.00 177.39 177.14 3gqb n GLN 465 N -2.97 0.00 0.01 3.23 1.13 -1.05 0.01 117.38 117.74 3gqb n GLN 465 Ca -0.10 0.33 -0.21 0.00 -1.94 0.00 0.00 57.00 55.09 3gqb n GLN 465 Cb 0.58 -1.65 -0.14 0.00 0.11 0.00 0.00 30.24 29.14 3gqb n GLN 465 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3gqb n GLU 466 N -1.33 0.76 -0.24 -1.09 -0.58 -1.26 -2.46 120.64 114.45 3gqb n GLU 466 Ca 0.00 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 57.11 3gqb n GLU 466 Cb 0.15 -1.72 0.27 0.00 -0.57 0.00 0.00 31.44 29.57 3gqb n GLU 466 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3gqb n ILE 467 N -3.47 0.62 -0.03 -3.67 5.41 -0.07 -2.83 119.36 115.33 3gqb n ILE 467 Ca -0.31 -0.71 -0.00 0.00 1.00 0.00 0.00 62.75 62.72 3gqb n ILE 467 Cb 1.05 0.56 -0.13 0.00 -0.71 0.00 0.00 39.64 40.41 3gqb n ILE 467 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3gqb n VAL 468 N 1.17 0.93 0.10 1.39 0.31 0.10 -3.96 118.33 118.37 3gqb n VAL 468 Ca 0.19 -0.70 0.01 0.00 -0.01 0.00 0.00 64.34 63.83 3gqb n VAL 468 Cb 0.51 -0.44 0.32 0.00 -0.91 0.00 0.00 33.84 33.32 3gqb n VAL 468 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3gqb h GLN 469 N 0.00 0.27 0.00 5.55 4.15 -1.32 -2.17 115.11 121.60 3gqb h GLN 469 Ca -0.25 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.08 3gqb h GLN 469 Cb 1.66 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.32 3gqb h GLN 469 CO 0.03 0.48 0.00 1.28 -1.93 0.00 0.00 178.83 178.69 3gqb n LEU 470 N -4.19 0.85 -0.26 -2.39 4.77 -1.23 -4.72 117.00 109.84 3gqb n LEU 470 Ca -0.01 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3gqb n LEU 470 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3gqb n LEU 470 CO 0.39 0.21 0.25 0.55 -1.33 0.00 0.00 177.39 177.47 3gqb n VAL 471 N -0.14 0.00 -1.20 4.08 3.14 -1.24 -5.12 118.33 117.85 3gqb n VAL 471 Ca 0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 3gqb n VAL 471 Cb 0.00 0.73 -0.03 0.00 -1.06 0.00 0.00 33.84 33.48 3gqb n VAL 471 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gqb n GLY 472 N 0.00 -3.58 0.00 7.55 0.00 -0.81 -4.17 105.19 104.18 3gqb n GLY 472 Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.08 3gqb n GLY 472 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqb n PRO 473 N -2.96 0.22 0.01 1.61 -0.04 -1.26 -2.97 135.00 129.60 3gqb n PRO 473 Ca -0.03 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3gqb n PRO 473 Cb 0.45 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 3gqb n PRO 473 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3gqb h ASP 474 N 0.00 0.56 0.00 3.54 5.19 -1.96 -3.14 116.42 120.61 3gqb h ASP 474 Ca 0.00 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3gqb h ASP 474 Cb 0.16 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3gqb h ASP 474 CO 0.00 0.94 0.00 0.00 -3.12 0.00 0.00 179.24 177.06 3gqb n ALA 475 N -2.50 2.33 -2.62 3.45 0.00 -1.16 -4.81 120.51 115.20 3gqb n ALA 475 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3gqb n ALA 475 Cb 0.55 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 3gqb n ALA 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gqb s LEU 476 N -0.31 4.06 1.03 0.00 1.43 -1.19 -5.08 118.68 118.63 3gqb s LEU 476 Ca 0.00 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 3gqb s LEU 476 Cb 0.00 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 44.09 3gqb s LEU 476 CO 0.00 -0.08 0.74 1.67 0.23 0.00 0.00 176.35 178.91 3gqb n GLN 477 N 4.95 -1.15 -0.12 1.70 0.00 -1.26 -4.81 117.38 116.68 3gqb n GLN 477 Ca -0.11 -0.29 -0.08 0.00 -0.00 0.00 0.00 57.00 56.51 3gqb n GLN 477 Cb 0.51 -2.08 -0.00 0.00 0.00 0.00 0.00 30.24 28.67 3gqb n GLN 477 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 3gqb h ASP 478 N -2.06 0.44 0.00 1.69 3.32 -2.00 -2.05 116.42 115.76 3gqb h ASP 478 Ca -0.50 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3gqb h ASP 478 Cb 1.30 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3gqb h ASP 478 CO 0.41 0.33 0.11 0.00 -1.72 0.00 0.00 179.24 178.37 3gqb n ALA 479 N -2.20 0.88 -0.03 3.45 0.00 -1.26 -2.23 120.51 119.11 3gqb n ALA 479 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 3gqb n ALA 479 Cb 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3gqb n ALA 479 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gqb h GLU 480 N 0.00 -0.05 -0.80 0.00 4.39 -1.70 -2.16 114.58 114.25 3gqb h GLU 480 Ca 0.00 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.94 3gqb h GLU 480 Cb 0.22 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3gqb h GLU 480 CO 0.00 0.20 0.74 0.00 -1.16 0.00 0.00 179.01 178.79 3gqb h ARG 481 N -1.00 0.00 0.18 2.33 3.08 -1.50 -0.68 114.38 116.79 3gqb h ARG 481 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gqb h ARG 481 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gqb h ARG 481 CO 0.01 0.00 -0.09 1.25 -1.07 0.00 0.00 179.97 180.07 3gqb h LEU 482 N 0.00 -0.21 -0.80 3.04 5.85 -1.60 -3.01 115.31 118.58 3gqb h LEU 482 Ca 0.38 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.17 3gqb h LEU 482 Cb 1.86 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.81 3gqb h LEU 482 CO -0.00 0.29 -0.37 0.58 -0.34 0.00 0.00 178.44 178.59 3gqb h VAL 483 N -1.05 0.08 -0.92 1.05 2.07 -0.49 0.41 116.25 117.40 3gqb h VAL 483 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 3gqb h VAL 483 Cb 0.26 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 3gqb h VAL 483 CO 0.04 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.57 3gqb h ILE 484 N -0.08 0.82 0.00 4.57 2.04 -1.39 -0.70 117.51 122.77 3gqb h ILE 484 Ca 0.28 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3gqb h ILE 484 Cb 0.57 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3gqb h ILE 484 CO -0.84 0.15 0.00 -0.62 0.00 0.00 0.00 178.15 176.84 3gqb n GLU 485 N -4.75 0.27 -0.10 2.37 -0.58 0.13 -0.76 120.64 117.22 3gqb n GLU 485 Ca 0.18 0.22 -0.20 0.00 -0.42 0.00 0.00 57.16 56.95 3gqb n GLU 485 Cb 0.41 -1.81 -0.12 0.00 -0.57 0.00 0.00 31.44 29.34 3gqb n GLU 485 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gqb n VAL 486 N -2.28 1.55 -0.32 2.62 0.31 -0.30 -2.63 118.33 117.28 3gqb n VAL 486 Ca 0.05 -0.57 0.17 0.00 -0.01 0.00 0.00 64.34 63.99 3gqb n VAL 486 Cb 0.43 -1.52 0.35 0.00 -0.91 0.00 0.00 33.84 32.19 3gqb n VAL 486 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3gqb h GLY 487 N 1.58 1.54 0.85 2.92 0.00 -1.13 0.73 103.07 109.56 3gqb h GLY 487 Ca -0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3gqb h GLY 487 CO -0.08 -0.48 -0.31 -0.09 0.00 0.00 0.00 176.54 175.59 3gqb h ARG 488 N 0.15 -0.73 -0.97 4.80 2.43 -1.06 -1.84 114.38 117.16 3gqb h ARG 488 Ca 0.62 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 60.00 3gqb h ARG 488 Cb 1.36 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 30.99 3gqb h ARG 488 CO -0.73 -0.49 0.61 0.82 -1.51 0.00 0.00 179.97 178.68 3gqb h ILE 489 N -0.76 0.81 -0.31 1.20 1.08 -0.06 0.11 117.51 119.58 3gqb h ILE 489 Ca -0.05 -0.27 -0.13 0.00 -0.39 0.00 0.00 64.86 64.02 3gqb h ILE 489 Cb 0.63 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 3gqb h ILE 489 CO 0.05 0.15 -0.30 0.40 -0.69 0.00 0.00 178.15 177.75 3gqb h ILE 490 N 0.80 1.29 0.70 -0.67 2.04 0.31 -0.21 117.51 121.77 3gqb h ILE 490 Ca 0.51 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 3gqb h ILE 490 Cb 0.73 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3gqb h ILE 490 CO -0.28 0.47 -0.40 0.03 0.00 0.00 0.00 178.15 177.98 3gqb h ARG 491 N 0.51 -0.99 -0.00 2.37 3.08 0.01 0.47 114.38 119.84 3gqb h ARG 491 Ca 0.05 0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 3gqb h ARG 491 Cb 0.87 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 3gqb h ARG 491 CO 0.07 -0.66 -0.66 0.93 -1.07 0.00 0.00 179.97 178.59 3gqb h GLU 492 N -1.03 0.00 -0.00 0.04 5.08 -1.14 -2.26 114.58 115.27 3gqb h GLU 492 Ca -0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3gqb h GLU 492 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3gqb h GLU 492 CO 0.11 0.66 -0.21 -0.25 -1.00 0.00 0.00 179.01 178.33 3gqb n ASP 493 N -3.76 0.86 0.00 1.42 8.00 -0.09 -4.51 116.55 118.47 3gqb n ASP 493 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3gqb n ASP 493 Cb 0.65 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 3gqb n ASP 493 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gqb n PHE 494 N -0.53 0.00 0.04 1.24 7.35 0.14 -4.78 117.46 120.92 3gqb n PHE 494 Ca 0.03 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.71 3gqb n PHE 494 Cb 0.15 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.90 3gqb n PHE 494 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3gqb h LEU 495 N 0.00 0.00 -9.21 -2.13 3.38 -0.86 -3.42 115.31 103.07 3gqb h LEU 495 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3gqb h LEU 495 Cb 0.56 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3gqb h LEU 495 CO 0.00 0.64 0.48 -1.10 0.09 0.00 0.00 178.44 178.55 3gqb s GLN 496 N -2.88 4.36 -0.17 1.13 -0.21 -0.86 -4.34 119.66 116.68 3gqb s GLN 496 Ca -0.02 1.19 -0.01 0.00 0.02 0.00 0.00 55.36 56.55 3gqb s GLN 496 Cb 0.08 -3.56 0.04 0.00 1.00 0.00 0.00 33.01 30.58 3gqb s GLN 496 CO 0.81 -0.32 -0.04 -1.14 -2.12 0.00 0.00 175.29 172.47 3gqb s GLN 497 N 2.10 1.33 -0.17 2.91 0.74 -0.58 -4.81 119.66 121.17 3gqb s GLN 497 Ca 0.43 -0.51 -0.29 0.00 0.05 0.00 0.00 55.36 55.03 3gqb s GLN 497 Cb -0.17 -2.01 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 3gqb s GLN 497 CO 0.15 -0.46 1.36 1.21 -0.55 0.00 0.00 175.29 177.00 3gqb s ASN 498 N 1.65 6.81 0.06 6.67 3.84 -1.26 -4.29 114.94 128.42 3gqb s ASN 498 Ca 0.00 1.70 -0.01 0.00 0.21 0.00 0.00 52.86 54.76 3gqb s ASN 498 Cb -0.16 -2.54 -0.27 0.00 -0.55 0.00 0.00 41.25 37.74 3gqb s ASN 498 CO -0.07 -0.88 1.09 0.00 -2.79 0.00 0.00 177.10 174.45 3gqb h ALA 499 N 8.81 0.20 -0.15 1.71 0.00 -1.89 -1.98 119.26 125.97 3gqb h ALA 499 Ca -0.29 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3gqb h ALA 499 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gqb h ALA 499 CO 0.98 1.08 0.00 0.66 0.00 0.00 0.00 179.25 181.97 3gqb n TYR 500 N -3.47 0.19 -3.02 0.00 4.02 -1.26 -4.64 117.16 108.98 3gqb n TYR 500 Ca -0.09 -0.10 -0.40 0.00 -0.01 0.00 0.00 57.90 57.31 3gqb n TYR 500 Cb 1.01 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.28 3gqb n TYR 500 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3gqb s HIS 501 N -1.81 3.79 0.50 -0.72 2.46 -1.20 -4.97 115.29 113.34 3gqb s HIS 501 Ca 0.25 1.49 0.36 0.00 0.47 0.00 0.00 55.06 57.63 3gqb s HIS 501 Cb 0.13 -2.77 1.91 0.00 -0.13 0.00 0.00 32.58 31.72 3gqb s HIS 501 CO 0.20 0.37 2.22 1.49 -2.47 0.00 0.00 174.74 176.54 3gqb h GLU 502 N 5.20 0.00 0.00 2.88 4.81 -1.90 -2.18 114.58 123.39 3gqb h GLU 502 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3gqb h GLU 502 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3gqb h GLU 502 CO 0.69 0.03 -0.31 0.28 -0.73 0.00 0.00 179.01 178.97 3gqb n VAL 503 N -3.37 1.15 0.10 0.32 0.31 -1.26 -4.72 118.33 110.87 3gqb n VAL 503 Ca -0.02 0.30 0.06 0.00 -0.01 0.00 0.00 64.34 64.67 3gqb n VAL 503 Cb 0.15 -1.77 0.34 0.00 -0.91 0.00 0.00 33.84 31.65 3gqb n VAL 503 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gqb n ASP 504 N -3.66 0.32 -0.03 4.52 2.03 -1.19 -1.64 116.55 116.91 3gqb n ASP 504 Ca -0.04 0.62 0.23 0.00 0.52 0.00 0.00 54.79 56.12 3gqb n ASP 504 Cb 0.16 -0.65 0.72 0.00 -0.72 0.00 0.00 41.12 40.63 3gqb n ASP 504 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gqb h ALA 505 N 1.83 2.48 -3.04 -1.67 0.00 -0.67 -3.37 119.26 114.82 3gqb h ALA 505 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3gqb h ALA 505 Cb 0.11 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.74 3gqb h ALA 505 CO 0.00 -0.81 -0.72 -0.47 0.00 0.00 0.00 179.25 177.25 3gqb s TYR 506 N -4.85 0.53 -0.16 0.00 5.04 -0.65 -4.81 117.35 112.44 3gqb s TYR 506 Ca -0.05 -0.54 -0.10 0.00 -2.44 0.00 0.00 57.07 53.94 3gqb s TYR 506 Cb 0.19 -0.33 0.05 0.00 0.35 0.00 0.00 41.96 42.22 3gqb s TYR 506 CO 0.68 -0.13 0.39 0.45 -1.34 0.00 0.00 175.55 175.59 3gqb s SER 507 N -1.64 -0.47 0.49 4.32 0.15 -0.91 -4.95 113.70 110.70 3gqb s SER 507 Ca -0.11 0.84 0.04 0.00 0.70 0.00 0.00 55.95 57.42 3gqb s SER 507 Cb -0.09 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 3gqb s SER 507 CO -0.01 -0.18 0.69 -0.94 1.20 0.00 0.00 173.24 174.00 3gqb s SER 508 N 1.15 5.45 0.38 5.45 1.04 -1.26 -4.55 113.70 121.36 3gqb s SER 508 Ca -0.08 -0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.28 3gqb s SER 508 Cb -0.07 -0.82 0.85 0.00 0.10 0.00 0.00 66.02 66.08 3gqb s SER 508 CO -0.10 -0.97 1.92 0.24 0.98 0.00 0.00 173.24 175.31 3gqb h MET 509 N 0.32 0.63 -0.10 4.02 2.86 -1.98 0.13 114.93 120.80 3gqb h MET 509 Ca -0.41 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 3gqb h MET 509 Cb 1.29 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 3gqb h MET 509 CO 0.50 0.42 0.02 -0.22 1.06 0.00 0.00 176.91 178.68 3gqb h LYS 510 N 0.65 0.16 -0.38 1.72 3.64 -1.93 0.39 116.57 120.82 3gqb h LYS 510 Ca 0.37 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3gqb h LYS 510 Cb 0.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3gqb h LYS 510 CO -0.14 0.35 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.95 3gqb h LYS 511 N -0.06 0.82 0.00 1.90 3.64 -1.79 -1.64 116.57 119.43 3gqb h LYS 511 Ca 0.03 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3gqb h LYS 511 Cb 0.27 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3gqb h LYS 511 CO 0.00 1.00 -0.06 0.00 -2.27 0.00 0.00 179.45 178.13 3gqb h ALA 512 N 0.80 1.75 -0.19 5.00 0.00 -0.65 -0.14 119.26 125.83 3gqb h ALA 512 Ca 0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3gqb h ALA 512 Cb 0.77 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gqb h ALA 512 CO 0.06 0.07 -0.32 -0.92 0.00 0.00 0.00 179.25 178.15 3gqb h TYR 513 N 0.00 0.69 0.27 0.00 3.20 0.14 -2.76 116.97 118.52 3gqb h TYR 513 Ca -0.00 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 3gqb h TYR 513 Cb 0.12 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3gqb h TYR 513 CO 0.00 0.97 -0.13 0.78 -1.64 0.00 0.00 178.16 178.13 3gqb h GLY 514 N 0.22 -0.38 1.67 1.82 0.00 -0.49 0.69 103.07 106.59 3gqb h GLY 514 Ca 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3gqb h GLY 514 CO 0.07 -0.14 0.15 -2.22 0.00 0.00 0.00 176.54 174.40 3gqb h ILE 515 N -0.38 1.12 0.66 2.60 2.04 -1.16 -1.08 117.51 121.30 3gqb h ILE 515 Ca -0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3gqb h ILE 515 Cb 0.29 0.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3gqb h ILE 515 CO 0.06 0.14 -0.32 -0.03 0.00 0.00 0.00 178.15 178.00 3gqb h MET 516 N 0.45 -0.85 -0.97 2.37 4.05 -1.33 -3.13 114.93 115.51 3gqb h MET 516 Ca 0.11 0.06 0.13 0.00 -0.28 0.00 0.00 59.70 59.72 3gqb h MET 516 Cb 0.06 0.19 -0.08 0.00 -0.80 0.00 0.00 31.60 30.98 3gqb h MET 516 CO -0.01 -0.53 0.62 -0.22 0.23 0.00 0.00 176.91 176.99 3gqb h LYS 517 N -1.15 0.89 -0.18 0.39 3.64 -0.29 -1.46 116.57 118.41 3gqb h LYS 517 Ca -0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3gqb h LYS 517 Cb 0.71 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3gqb h LYS 517 CO 0.15 0.59 0.12 0.52 -2.27 0.00 0.00 179.45 178.56 3gqb h MET 518 N 0.92 0.24 -0.13 1.90 2.86 -1.33 0.17 114.93 119.57 3gqb h MET 518 Ca 0.48 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.15 3gqb h MET 518 Cb 0.54 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3gqb h MET 518 CO -0.25 0.17 -0.17 0.82 1.06 0.00 0.00 176.91 178.54 3gqb h ILE 519 N 0.24 0.56 -0.08 -1.22 2.04 -1.22 0.12 117.51 117.95 3gqb h ILE 519 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 3gqb h ILE 519 Cb -0.02 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3gqb h ILE 519 CO -0.01 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.63 3gqb h LEU 520 N -0.21 0.19 0.51 1.44 3.38 -1.38 0.38 115.31 119.62 3gqb h LEU 520 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3gqb h LEU 520 Cb 0.35 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3gqb h LEU 520 CO -0.25 0.61 -0.25 0.00 0.09 0.00 0.00 178.44 178.64 3gqb h ALA 521 N 1.40 -0.69 -0.72 1.53 0.00 -0.69 -0.40 119.26 119.69 3gqb h ALA 521 Ca 0.01 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.85 3gqb h ALA 521 Cb 0.84 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3gqb h ALA 521 CO 0.07 -0.81 0.33 0.35 0.00 0.00 0.00 179.25 179.19 3gqb h PHE 522 N -0.84 0.59 0.40 0.00 3.57 -0.60 -2.17 116.94 117.89 3gqb h PHE 522 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3gqb h PHE 522 Cb 0.59 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3gqb h PHE 522 CO -0.01 0.18 -0.39 -0.92 -2.23 0.00 0.00 178.31 174.94 3gqb h TYR 523 N 0.55 -1.05 0.00 0.41 3.20 -0.11 -1.49 116.97 118.49 3gqb h TYR 523 Ca 0.36 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3gqb h TYR 523 Cb 0.44 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3gqb h TYR 523 CO -0.12 -0.54 0.00 1.63 -1.64 0.00 0.00 178.16 177.49 3gqb n LYS 524 N -5.49 0.04 0.04 1.82 5.02 -0.17 -0.52 118.16 118.90 3gqb n LYS 524 Ca -0.10 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 3gqb n LYS 524 Cb 0.39 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3gqb n LYS 524 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gqb h GLU 525 N 0.00 0.00 0.04 1.97 4.39 -1.16 -3.08 114.58 116.74 3gqb h GLU 525 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 3gqb h GLU 525 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3gqb h GLU 525 CO 0.00 0.37 -1.05 0.00 -1.16 0.00 0.00 179.01 177.17 3gqb h ALA 526 N 1.35 0.25 -0.99 3.43 0.00 -0.30 -2.80 119.26 120.20 3gqb h ALA 526 Ca -0.16 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 54.03 3gqb h ALA 526 Cb 1.64 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 3gqb h ALA 526 CO 0.06 0.82 0.65 1.49 0.00 0.00 0.00 179.25 182.27 3gqb h GLU 527 N 0.21 1.22 -0.00 0.00 4.81 -0.88 -0.91 114.58 119.03 3gqb h GLU 527 Ca -0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3gqb h GLU 527 Cb 1.71 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.82 3gqb h GLU 527 CO 0.18 0.81 -0.28 0.00 -0.73 0.00 0.00 179.01 179.00 3gqb n ALA 528 N -2.38 3.04 -0.07 2.92 0.00 -1.16 -3.68 120.51 119.17 3gqb n ALA 528 Ca 0.13 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3gqb n ALA 528 Cb 0.09 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.15 3gqb n ALA 528 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqb h ALA 529 N 3.13 0.19 -0.46 0.00 0.00 -0.92 -3.30 119.26 117.89 3gqb h ALA 529 Ca 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 54.91 53.82 3gqb h ALA 529 Cb 0.48 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3gqb h ALA 529 CO 0.00 0.59 0.07 -0.84 0.00 0.00 0.00 179.25 179.07 3gqb h ILE 530 N -0.83 1.22 0.00 0.00 -0.00 -1.46 -1.36 117.51 115.08 3gqb h ILE 530 Ca -0.26 -0.83 0.00 0.00 -0.00 0.00 0.00 64.86 63.76 3gqb h ILE 530 Cb 1.35 0.79 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 3gqb h ILE 530 CO -0.10 0.30 0.00 1.17 -0.00 0.00 0.00 178.15 179.52 3gqb n LYS 531 N -4.27 0.01 -0.05 0.16 4.81 -1.24 -1.94 118.16 115.64 3gqb n LYS 531 Ca 0.03 0.37 0.02 0.00 -0.87 0.00 0.00 58.31 57.87 3gqb n LYS 531 Cb 0.24 -1.51 0.05 0.00 0.02 0.00 0.00 35.03 33.83 3gqb n LYS 531 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3gqb n ARG 532 N -1.53 1.83 -0.98 1.64 0.63 -0.59 -4.98 116.66 112.68 3gqb n ARG 532 Ca 0.02 -1.40 0.00 0.00 -0.92 0.00 0.00 57.85 55.54 3gqb n ARG 532 Cb 0.09 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 31.90 3gqb n ARG 532 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gqb n GLY 533 N 0.03 0.75 3.86 5.14 0.00 -0.82 -5.05 105.19 109.11 3gqb n GLY 533 Ca 0.04 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3gqb n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqb s VAL 534 N -2.00 5.10 -0.04 1.61 1.01 -0.75 -5.02 120.40 120.31 3gqb s VAL 534 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3gqb s VAL 534 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3gqb s VAL 534 CO 0.00 0.34 1.57 -0.55 0.00 0.00 0.00 175.10 176.46 3gqb s SER 535 N -1.65 6.72 0.54 3.32 0.15 -1.26 -4.33 113.70 117.18 3gqb s SER 535 Ca 0.31 2.19 0.20 0.00 0.70 0.00 0.00 55.95 59.36 3gqb s SER 535 Cb -0.14 -2.54 1.40 0.00 -1.71 0.00 0.00 66.02 63.02 3gqb s SER 535 CO 0.17 -0.87 2.14 0.40 1.20 0.00 0.00 173.24 176.27 3gqb h ILE 536 N 5.37 0.85 0.01 6.45 2.04 -1.96 0.36 117.51 130.62 3gqb h ILE 536 Ca -0.38 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 3gqb h ILE 536 Cb 1.17 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3gqb h ILE 536 CO 0.94 0.00 -0.95 0.44 0.00 0.00 0.00 178.15 178.59 3gqb h ASP 537 N 0.00 0.48 -0.35 1.72 3.32 -1.95 0.77 116.42 120.41 3gqb h ASP 537 Ca 0.05 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.54 3gqb h ASP 537 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3gqb h ASP 537 CO -0.00 1.20 -0.42 -0.08 -1.72 0.00 0.00 179.24 178.21 3gqb h GLU 538 N 0.20 0.92 -0.23 3.56 4.81 -1.53 -2.13 114.58 120.17 3gqb h GLU 538 Ca -0.08 -0.51 0.05 0.00 -0.13 0.00 0.00 59.36 58.70 3gqb h GLU 538 Cb 1.58 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.94 3gqb h GLU 538 CO 0.16 1.16 -0.09 0.82 -0.73 0.00 0.00 179.01 180.33 3gqb h ILE 539 N 0.74 0.70 0.00 2.32 2.04 -0.25 -2.00 117.51 121.05 3gqb h ILE 539 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3gqb h ILE 539 Cb 1.02 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3gqb h ILE 539 CO 0.10 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.43 3gqb n LEU 540 N -5.25 0.00 -0.00 1.44 4.77 0.26 -1.94 117.00 116.27 3gqb n LEU 540 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3gqb n LEU 540 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 3gqb n LEU 540 CO 0.21 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.08 3gqb n GLN 541 N -0.70 1.39 -1.68 3.23 6.02 -0.75 -5.02 117.38 119.87 3gqb n GLN 541 Ca 0.05 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 3gqb n GLN 541 Cb 0.02 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 3gqb n GLN 541 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gqb n LEU 542 N -1.55 4.01 0.00 1.08 4.77 -0.82 -4.87 117.00 119.63 3gqb n LEU 542 Ca 0.02 0.97 0.04 0.00 -0.03 0.00 0.00 56.01 57.01 3gqb n LEU 542 Cb 0.29 -1.53 0.21 0.00 -2.33 0.00 0.00 43.42 40.07 3gqb n LEU 542 CO 0.33 0.16 0.49 -2.65 -1.33 0.00 0.00 177.39 174.38 3gqb n PRO 543 N 5.94 0.19 -0.03 3.23 -0.02 -1.26 -1.95 135.00 141.10 3gqb n PRO 543 Ca 0.19 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3gqb n PRO 543 Cb 0.37 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.71 3gqb n PRO 543 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3gqb n VAL 544 N -1.09 0.08 0.22 -1.45 3.14 -1.26 -3.47 118.33 114.50 3gqb n VAL 544 Ca 0.05 -0.38 0.07 0.00 -2.96 0.00 0.00 64.34 61.12 3gqb n VAL 544 Cb 0.04 0.80 0.53 0.00 -1.06 0.00 0.00 33.84 34.14 3gqb n VAL 544 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3gqb h LEU 545 N 3.18 0.00 0.00 6.55 3.38 -1.78 -3.01 115.31 123.63 3gqb h LEU 545 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gqb h LEU 545 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gqb h LEU 545 CO 0.00 0.23 -0.56 -0.08 0.09 0.00 0.00 178.44 178.11 3gqb h GLU 546 N 0.00 0.00 -0.28 1.13 4.57 -1.79 0.13 114.58 118.35 3gqb h GLU 546 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3gqb h GLU 546 Cb 0.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3gqb h GLU 546 CO 0.03 0.17 -0.42 -0.09 -1.18 0.00 0.00 179.01 177.51 3gqb h ARG 547 N 0.00 0.68 0.47 1.92 9.65 -1.69 -0.39 114.38 125.03 3gqb h ARG 547 Ca -0.02 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.47 3gqb h ARG 547 Cb 1.18 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3gqb h ARG 547 CO 0.02 0.98 -0.22 0.82 2.80 0.00 0.00 179.97 184.36 3gqb h ILE 548 N 0.55 0.00 -0.97 1.20 2.04 -1.46 -3.17 117.51 115.70 3gqb h ILE 548 Ca 0.04 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 65.91 3gqb h ILE 548 Cb 0.96 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.88 3gqb h ILE 548 CO 0.09 0.00 -0.34 0.61 0.00 0.00 0.00 178.15 178.51 3gqb n GLY 549 N -0.60 -1.88 1.75 5.37 0.00 0.45 -0.91 105.19 109.37 3gqb n GLY 549 Ca -0.08 1.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.92 3gqb n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqb n ARG 550 N -5.47 2.55 -0.06 1.61 5.12 -0.16 -4.30 116.66 115.94 3gqb n ARG 550 Ca 0.12 -2.18 -0.16 0.00 -1.93 0.00 0.00 57.85 53.69 3gqb n ARG 550 Cb 0.42 -1.91 -0.13 0.00 -1.16 0.00 0.00 32.46 29.67 3gqb n ARG 550 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gqb h ALA 551 N 2.03 0.03 0.00 7.54 0.00 -0.99 -3.31 119.26 124.56 3gqb h ALA 551 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gqb h ALA 551 Cb 2.07 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.00 3gqb h ALA 551 CO 0.64 0.18 0.07 2.89 0.00 0.00 0.00 179.25 183.03 3gqb n ARG 552 N -4.50 0.00 0.00 0.00 1.85 -1.26 -0.21 116.66 112.54 3gqb n ARG 552 Ca -0.14 0.43 0.11 0.00 -1.00 0.00 0.00 57.85 57.26 3gqb n ARG 552 Cb 0.57 -1.58 0.06 0.00 -1.05 0.00 0.00 32.46 30.46 3gqb n ARG 552 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3gqb n TYR 553 N -1.44 0.00 -3.40 2.89 4.02 -1.24 -3.18 117.16 114.81 3gqb n TYR 553 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3gqb n TYR 553 Cb 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 3gqb n TYR 553 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gqb s VAL 554 N -2.12 5.20 0.01 -0.72 1.01 0.70 -4.76 120.40 119.73 3gqb s VAL 554 Ca 0.24 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 3gqb s VAL 554 Cb 0.19 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3gqb s VAL 554 CO 0.39 0.25 0.03 -0.24 0.00 0.00 0.00 175.10 175.53 3gqb n SER 555 N 4.50 -0.06 0.11 3.32 2.88 -1.26 -4.72 113.62 118.39 3gqb n SER 555 Ca -0.09 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 3gqb n SER 555 Cb 0.51 -0.05 0.31 0.00 -0.75 0.00 0.00 64.21 64.23 3gqb n SER 555 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gqb h GLU 556 N 0.06 0.22 0.08 -1.46 4.57 -1.95 -2.63 114.58 113.46 3gqb h GLU 556 Ca -0.01 -0.08 -0.26 0.00 -1.18 0.00 0.00 59.36 57.83 3gqb h GLU 556 Cb 0.07 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3gqb h GLU 556 CO 0.03 0.49 -1.11 0.93 -1.18 0.00 0.00 179.01 178.17 3gqb h GLU 557 N 0.20 0.36 -0.00 1.92 3.07 -2.05 -3.24 114.58 114.83 3gqb h GLU 557 Ca 0.03 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3gqb h GLU 557 Cb 0.61 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3gqb h GLU 557 CO 0.04 1.18 -0.00 0.39 -1.40 0.00 0.00 179.01 179.22 3gqb n GLU 558 N -3.65 1.14 0.02 2.33 1.02 -1.10 -4.27 120.64 116.13 3gqb n GLU 558 Ca -0.08 -0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 56.64 3gqb n GLU 558 Cb 0.94 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.74 3gqb n GLU 558 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gqb h PHE 559 N 0.58 0.62 -0.91 -0.32 3.57 -1.50 -2.99 116.94 115.99 3gqb h PHE 559 Ca 0.00 -0.37 0.23 0.00 3.53 0.00 0.00 57.97 61.35 3gqb h PHE 559 Cb 0.13 -0.05 -0.13 0.00 2.79 0.00 0.00 35.95 38.69 3gqb h PHE 559 CO 0.00 1.22 0.41 -1.35 -2.23 0.00 0.00 178.31 176.36 3gqb h PRO 560 N -0.17 0.39 -0.07 6.41 0.11 -1.79 0.74 132.00 137.63 3gqb h PRO 560 Ca -0.10 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.77 3gqb h PRO 560 Cb 1.46 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3gqb h PRO 560 CO 0.14 0.26 -0.83 0.00 -0.21 0.00 0.00 178.00 177.35 3gqb h ALA 561 N 1.72 0.41 -0.79 -0.75 0.00 -1.86 -1.81 119.26 116.17 3gqb h ALA 561 Ca 0.57 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gqb h ALA 561 Cb 1.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3gqb h ALA 561 CO -0.53 0.75 0.34 -0.92 0.00 0.00 0.00 179.25 178.89 3gqb h TYR 562 N 0.35 1.18 0.07 0.00 3.20 -0.74 -0.66 116.97 120.36 3gqb h TYR 562 Ca -0.06 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3gqb h TYR 562 Cb 1.45 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3gqb h TYR 562 CO 0.07 0.88 -0.03 0.35 -1.64 0.00 0.00 178.16 177.78 3gqb h PHE 563 N 1.14 -0.08 -0.96 -3.82 3.04 0.39 -1.59 116.94 115.07 3gqb h PHE 563 Ca 0.27 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.25 3gqb h PHE 563 Cb 0.18 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 3gqb h PHE 563 CO 0.02 0.26 0.62 1.49 -2.02 0.00 0.00 178.31 178.68 3gqb h GLU 564 N -0.43 1.18 -0.00 1.11 4.81 -1.18 0.14 114.58 120.20 3gqb h GLU 564 Ca -0.01 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3gqb h GLU 564 Cb 0.38 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.50 3gqb h GLU 564 CO 0.01 0.78 -0.65 1.49 -0.73 0.00 0.00 179.01 179.92 3gqb h GLU 565 N 1.21 0.45 -0.73 1.92 4.81 -1.19 -2.94 114.58 118.11 3gqb h GLU 565 Ca 0.38 -0.48 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3gqb h GLU 565 Cb -0.01 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3gqb h GLU 565 CO -0.12 1.13 0.24 0.00 -0.73 0.00 0.00 179.01 179.53 3gqb h ALA 566 N 0.33 1.04 -0.67 2.92 0.00 -1.12 0.00 119.26 121.77 3gqb h ALA 566 Ca -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3gqb h ALA 566 Cb 1.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3gqb h ALA 566 CO 0.13 0.65 0.44 1.98 0.00 0.00 0.00 179.25 182.45 3gqb h MET 567 N 1.08 0.84 0.00 0.00 1.85 -0.82 -0.97 114.93 116.91 3gqb h MET 567 Ca 0.24 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.23 3gqb h MET 567 Cb 0.29 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 3gqb h MET 567 CO -0.01 0.56 -0.24 0.87 -0.40 0.00 0.00 176.91 177.69 3gqb h LYS 568 N 0.87 0.00 0.00 0.39 1.57 -1.18 -3.20 116.57 115.02 3gqb h LYS 568 Ca 0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3gqb h LYS 568 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3gqb h LYS 568 CO -0.06 0.24 -0.64 1.49 -0.57 0.00 0.00 179.45 179.91 3gqb h GLU 569 N 0.00 0.00 -0.23 3.15 4.81 0.25 -3.18 114.58 119.38 3gqb h GLU 569 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3gqb h GLU 569 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3gqb h GLU 569 CO 0.03 0.12 -0.35 0.82 -0.73 0.00 0.00 179.01 178.91 3gqb h ILE 570 N 0.00 1.29 0.61 2.32 2.04 -1.28 -2.10 117.51 120.38 3gqb h ILE 570 Ca -0.02 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 3gqb h ILE 570 Cb 1.14 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3gqb h ILE 570 CO 0.02 0.46 -0.29 1.56 0.00 0.00 0.00 178.15 179.89 3gqb h GLN 571 N 0.42 -0.79 -0.79 2.37 1.08 -1.64 -2.96 115.11 112.81 3gqb h GLN 571 Ca 0.05 0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3gqb h GLN 571 Cb 0.81 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 3gqb h GLN 571 CO 0.07 -0.53 0.48 0.78 -0.95 0.00 0.00 178.83 178.68 3gqb h GLY 572 N -1.11 1.13 1.99 3.46 0.00 -1.60 0.58 103.07 107.52 3gqb h GLY 572 Ca -0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 3gqb h GLY 572 CO 0.14 0.44 -0.69 0.00 0.00 0.00 0.00 176.54 176.43 3gqb h ALA 573 N 1.45 0.86 0.09 3.60 0.00 -1.51 -1.19 119.26 122.56 3gqb h ALA 573 Ca 0.28 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 3gqb h ALA 573 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gqb h ALA 573 CO -0.05 0.85 -1.55 0.74 0.00 0.00 0.00 179.25 179.24 3gqb h PHE 574 N 0.01 0.35 0.00 0.00 -1.00 -1.27 -3.25 116.94 111.77 3gqb h PHE 574 Ca -0.01 -0.25 -0.07 0.00 2.81 0.00 0.00 57.97 60.45 3gqb h PHE 574 Cb 1.22 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 3gqb h PHE 574 CO 0.00 1.32 -0.32 -0.22 -1.61 0.00 0.00 178.31 177.48 3gqb h LYS 575 N 0.05 0.00 -0.19 1.51 1.63 0.14 -2.78 116.57 116.94 3gqb h LYS 575 Ca -0.24 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.46 3gqb h LYS 575 Cb 2.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.61 3gqb h LYS 575 CO 0.14 0.32 -0.31 0.00 -3.45 0.00 0.00 179.45 176.15 3gqb h ALA 576 N 1.68 1.12 -0.76 5.00 0.00 -1.31 -3.35 119.26 121.65 3gqb h ALA 576 Ca -0.00 -0.36 -0.66 0.00 0.00 0.00 0.00 54.91 53.88 3gqb h ALA 576 Cb 0.57 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3gqb h ALA 576 CO 0.04 0.56 2.21 1.28 0.00 0.00 0.00 179.25 183.34 3gqb n LEU 577 N -4.10 4.97 0.00 0.00 4.77 -1.05 -5.10 117.00 116.50 3gqb n LEU 577 Ca -0.01 -3.89 0.02 0.00 -0.03 0.00 0.00 56.01 52.11 3gqb n LEU 577 Cb 0.43 -1.74 0.14 0.00 -2.33 0.00 0.00 43.42 39.91 3gqb n LEU 577 CO 0.42 0.10 0.37 0.00 -1.33 0.00 0.00 177.39 176.95