#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s GLN -6 N 0.00 0.75 0.54 0.00 0.74 -1.26 -5.14 119.66 115.29 3mqw s GLN -6 Ca 0.00 -0.79 -0.21 0.00 0.05 0.00 0.00 55.36 54.41 3mqw s GLN -6 Cb 0.00 -0.69 -0.05 0.00 1.10 0.00 0.00 33.01 33.38 3mqw s GLN -6 CO 0.00 0.16 1.32 0.95 -0.55 0.00 0.00 175.29 177.16 3mqw s THR -5 N -1.09 2.25 -0.55 -0.34 -4.23 -1.26 -5.01 115.64 105.40 3mqw s THR -5 Ca -0.03 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3mqw s THR -5 Cb -0.09 -3.09 0.32 0.00 1.34 0.00 0.00 72.50 70.98 3mqw s THR -5 CO 0.01 -0.01 0.85 0.00 -0.54 0.00 0.00 174.62 174.93 3mqw n GLN -4 N -1.05 2.60 0.00 3.99 1.13 -1.26 -5.09 117.38 117.70 3mqw n GLN -4 Ca 0.11 -4.51 0.00 0.00 -1.94 0.00 0.00 57.00 50.66 3mqw n GLN -4 Cb 0.46 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3mqw n GLN -4 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mqw n GLY -3 N 0.16 -0.08 3.38 1.08 0.00 -1.26 -4.96 105.19 103.52 3mqw n GLY -3 Ca 0.29 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3mqw n GLY -3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mqw n PRO -2 N 0.22 0.13 -0.35 1.61 -0.02 -1.26 -5.11 135.00 130.22 3mqw n PRO -2 Ca 0.00 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 3mqw n PRO -2 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 3mqw n PRO -2 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3mqw n MET 1 N 6.73 0.00 -4.26 -0.52 0.00 -1.26 -5.28 117.12 112.52 3mqw n MET 1 Ca 0.33 0.00 -0.15 0.00 -0.00 0.00 0.00 57.70 57.88 3mqw n MET 1 Cb 0.42 -0.13 -0.10 0.00 0.00 0.00 0.00 33.22 33.42 3mqw n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3mqw s SER 2 N -0.37 0.85 0.23 6.12 1.04 -1.26 -5.07 113.70 115.24 3mqw s SER 2 Ca 0.00 -1.47 -0.04 0.00 0.48 0.00 0.00 55.95 54.92 3mqw s SER 2 Cb 0.00 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.72 3mqw s SER 2 CO 0.00 -0.86 1.70 0.50 0.98 0.00 0.00 173.24 175.56 3mqw h LYS 3 N 2.42 0.84 -5.58 4.02 3.64 -2.05 -3.40 116.57 116.47 3mqw h LYS 3 Ca -0.35 -0.27 -0.65 0.00 -1.27 0.00 0.00 60.65 58.12 3mqw h LYS 3 Cb 1.25 -0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.80 3mqw h LYS 3 CO 0.52 0.88 -0.65 -0.51 -2.27 0.00 0.00 179.45 177.43 3mqw s LEU 4 N -9.12 3.36 -0.12 5.20 1.43 -1.26 -4.35 118.68 113.81 3mqw s LEU 4 Ca -0.10 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3mqw s LEU 4 Cb 0.14 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 3mqw s LEU 4 CO 0.83 0.25 -0.21 -0.89 0.23 0.00 0.00 176.35 176.55 3mqw s THR 5 N -0.10 2.27 0.04 5.49 2.01 -0.64 -4.95 115.64 119.76 3mqw s THR 5 Ca 0.03 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3mqw s THR 5 Cb -0.13 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3mqw s THR 5 CO 0.02 0.55 0.96 -0.69 -0.69 0.00 0.00 174.62 174.78 3mqw s VAL 6 N 0.46 4.74 -0.21 3.82 1.01 -1.26 -0.97 120.40 127.98 3mqw s VAL 6 Ca -0.15 2.05 -0.10 0.00 0.00 0.00 0.00 61.98 63.78 3mqw s VAL 6 Cb -0.17 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 3mqw s VAL 6 CO 0.06 0.22 0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3mqw s VAL 7 N 0.64 5.26 -0.29 2.92 1.01 -0.37 -4.97 120.40 124.60 3mqw s VAL 7 Ca 0.50 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 3mqw s VAL 7 Cb -0.22 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 32.85 3mqw s VAL 7 CO 0.28 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.96 3mqw s ALA 8 N 0.66 0.34 -0.09 5.51 0.00 -1.26 -3.66 121.76 123.26 3mqw s ALA 8 Ca 0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 3mqw s ALA 8 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3mqw s ALA 8 CO 0.01 -1.66 0.44 0.45 0.00 0.00 0.00 175.76 175.00 3mqw s SER 9 N 2.17 6.69 0.00 0.00 0.15 -1.26 -4.96 113.70 116.49 3mqw s SER 9 Ca 0.09 0.82 0.22 0.00 0.70 0.00 0.00 55.95 57.78 3mqw s SER 9 Cb -0.15 -2.27 1.10 0.00 -1.71 0.00 0.00 66.02 62.99 3mqw s SER 9 CO -0.36 0.10 1.70 -0.81 1.20 0.00 0.00 173.24 175.08 3mqw n PRO 10 N 3.16 0.30 -0.02 5.44 -0.04 -1.26 -3.15 135.00 139.43 3mqw n PRO 10 Ca -0.09 0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 3mqw n PRO 10 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 3mqw n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mqw n LEU 11 N -1.29 0.55 -4.92 1.53 4.77 -1.26 -4.94 117.00 111.44 3mqw n LEU 11 Ca 0.10 0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 56.07 3mqw n LEU 11 Cb 0.18 0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3mqw n LEU 11 CO 0.17 0.30 0.35 0.00 -1.33 0.00 0.00 177.39 176.87 3mqw s ALA 12 N -2.76 3.52 0.34 -1.18 0.00 -1.19 -4.52 121.76 115.97 3mqw s ALA 12 Ca -0.06 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 3mqw s ALA 12 Cb 0.08 -2.40 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 3mqw s ALA 12 CO 0.83 -0.25 1.09 -2.30 0.00 0.00 0.00 175.76 175.12 3mqw n PRO 13 N -2.10 1.57 -2.00 0.00 -0.02 -1.26 -4.82 135.00 126.37 3mqw n PRO 13 Ca -0.01 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3mqw n PRO 13 Cb 0.56 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3mqw n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mqw s GLU 14 N -1.78 4.26 -0.88 -0.52 2.12 -1.26 -4.92 118.70 115.72 3mqw s GLU 14 Ca 0.59 2.32 -0.25 0.00 0.36 0.00 0.00 54.97 57.99 3mqw s GLU 14 Cb -0.62 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 30.71 3mqw s GLU 14 CO 0.60 -0.42 1.42 0.00 -0.54 0.00 0.00 175.26 176.31 3mqw s ALA 15 N -0.12 2.66 -0.19 6.30 0.00 -1.26 -4.98 121.76 124.16 3mqw s ALA 15 Ca 0.59 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 3mqw s ALA 15 Cb -0.42 -4.40 -0.05 0.00 0.00 0.00 0.00 23.12 18.25 3mqw s ALA 15 CO 0.45 -3.54 0.21 0.14 0.00 0.00 0.00 175.76 173.02 3mqw s VAL 16 N 5.70 5.35 0.00 0.00 -7.23 -1.26 -4.86 120.40 118.10 3mqw s VAL 16 Ca 0.43 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 3mqw s VAL 16 Cb -0.04 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3mqw s VAL 16 CO 0.02 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 3mqw n GLY 17 N 3.61 0.05 2.18 2.32 0.00 -1.26 -4.71 105.19 107.38 3mqw n GLY 17 Ca -0.14 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 3mqw n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqw n ALA 18 N -0.05 5.79 -2.82 4.61 0.00 -1.26 -4.85 120.51 121.92 3mqw n ALA 18 Ca 0.00 -2.59 -0.10 0.00 0.00 0.00 0.00 53.44 50.75 3mqw n ALA 18 Cb 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 3mqw n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3mqw s TYR 19 N -2.58 0.55 0.12 0.00 -0.85 -1.26 -5.17 117.35 108.16 3mqw s TYR 19 Ca 0.47 -0.88 0.11 0.00 -0.52 0.00 0.00 57.07 56.24 3mqw s TYR 19 Cb 0.36 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 3mqw s TYR 19 CO -0.07 -0.83 -0.26 -1.12 -1.52 0.00 0.00 175.55 171.76 3mqw s SER 20 N -3.03 3.37 0.27 -0.18 0.01 -1.26 -4.73 113.70 108.15 3mqw s SER 20 Ca 0.25 -0.71 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 3mqw s SER 20 Cb 0.02 -0.27 0.52 0.00 0.21 0.00 0.00 66.02 66.50 3mqw s SER 20 CO 0.07 0.19 1.82 1.56 0.41 0.00 0.00 173.24 177.29 3mqw h GLN 21 N 3.97 0.89 -3.06 12.44 4.20 -1.94 -3.41 115.11 128.20 3mqw h GLN 21 Ca -0.50 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 3mqw h GLN 21 Cb 1.17 -0.20 -0.12 0.00 0.30 0.00 0.00 27.48 28.63 3mqw h GLN 21 CO 0.40 0.59 0.17 0.00 -0.67 0.00 0.00 178.83 179.32 3mqw s ALA 22 N -5.98 -1.47 -0.03 3.87 0.00 -1.24 -0.85 121.76 116.06 3mqw s ALA 22 Ca -0.12 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.23 3mqw s ALA 22 Cb 0.22 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 3mqw s ALA 22 CO 0.80 -0.77 -0.16 0.42 0.00 0.00 0.00 175.76 176.05 3mqw s ILE 23 N -3.77 1.28 -0.16 0.00 -1.09 -0.59 -1.23 121.20 115.64 3mqw s ILE 23 Ca 0.02 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3mqw s ILE 23 Cb -0.01 -1.09 -0.05 0.00 -1.58 0.00 0.00 42.46 39.73 3mqw s ILE 23 CO -0.11 0.37 0.20 -0.63 -1.23 0.00 0.00 174.94 173.53 3mqw s ILE 24 N -0.07 5.38 -0.17 2.92 1.01 -0.14 -0.82 121.20 129.30 3mqw s ILE 24 Ca -0.00 0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 3mqw s ILE 24 Cb -0.09 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.94 3mqw s ILE 24 CO 0.01 0.48 0.36 0.00 0.00 0.00 0.00 174.94 175.79 3mqw n ASN 26 N 5.32 -4.97 -0.03 0.00 3.02 -1.26 -1.94 115.26 115.40 3mqw n ASN 26 Ca -0.08 -0.71 -0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3mqw n ASN 26 Cb 0.50 -4.24 -0.00 0.00 -0.61 0.00 0.00 39.78 35.43 3mqw n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mqw n GLY 27 N -1.77 0.47 3.36 7.41 0.00 -1.26 -5.02 105.19 108.38 3mqw n GLY 27 Ca 0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3mqw n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mqw s MET 28 N -0.68 1.31 -0.19 1.61 -1.94 -0.82 -1.93 119.30 116.67 3mqw s MET 28 Ca 0.00 -1.30 -0.01 0.00 -1.71 0.00 0.00 55.69 52.67 3mqw s MET 28 Cb 0.00 -1.71 0.01 0.00 2.01 0.00 0.00 34.83 35.14 3mqw s MET 28 CO 0.00 0.40 -0.15 0.08 -0.01 0.00 0.00 175.02 175.34 3mqw s VAL 29 N -1.17 2.47 -0.36 -6.03 1.01 0.94 -0.98 120.40 116.28 3mqw s VAL 29 Ca 0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3mqw s VAL 29 Cb -0.10 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3mqw s VAL 29 CO 0.06 0.50 0.17 -0.31 0.00 0.00 0.00 175.10 175.52 3mqw s TYR 30 N 1.35 3.24 -0.12 5.22 2.02 -0.00 -0.84 117.35 128.21 3mqw s TYR 30 Ca 0.05 -1.09 -0.08 0.00 -0.37 0.00 0.00 57.07 55.58 3mqw s TYR 30 Cb -0.13 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3mqw s TYR 30 CO -0.10 -0.66 0.17 0.00 -1.57 0.00 0.00 175.55 173.39 3mqw s SER 32 N -0.80 3.14 -0.01 0.00 0.01 -0.03 -3.56 113.70 112.45 3mqw s SER 32 Ca 0.15 1.93 -0.30 0.00 1.31 0.00 0.00 55.95 59.04 3mqw s SER 32 Cb -0.12 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 3mqw s SER 32 CO 0.04 -2.92 1.68 -0.83 0.41 0.00 0.00 173.24 171.62 3mqw s GLY 33 N -2.93 1.55 0.04 3.44 0.00 -1.26 -4.53 107.32 103.63 3mqw s GLY 33 Ca 0.65 1.04 -0.18 0.00 0.00 0.00 0.00 44.72 46.23 3mqw s GLY 33 CO 0.58 3.02 0.52 1.20 0.00 0.00 0.00 173.10 178.43 3mqw s GLN 34 N 3.66 4.14 0.44 2.90 -1.52 0.24 -4.83 119.66 124.69 3mqw s GLN 34 Ca 0.75 0.64 0.07 0.00 -1.95 0.00 0.00 55.36 54.87 3mqw s GLN 34 Cb -0.36 -3.25 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 3mqw s GLN 34 CO 0.31 0.62 0.30 0.96 -0.25 0.00 0.00 175.29 177.23 3mqw s ILE 35 N -0.97 2.30 -0.19 1.08 -4.36 -1.26 -1.17 121.20 116.63 3mqw s ILE 35 Ca 0.28 -1.52 -0.01 0.00 -0.26 0.00 0.00 60.65 59.13 3mqw s ILE 35 Cb -0.19 -2.83 0.11 0.00 1.25 0.00 0.00 42.46 40.81 3mqw s ILE 35 CO 0.17 0.00 2.08 0.61 0.24 0.00 0.00 174.94 178.05 3mqw n GLY 36 N -1.46 3.46 3.78 6.27 0.00 -1.26 -4.51 105.19 111.47 3mqw n GLY 36 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 3mqw n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mqw s LEU 37 N -1.08 4.40 -0.33 0.99 1.43 -1.26 -1.05 118.68 121.78 3mqw s LEU 37 Ca 0.21 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 3mqw s LEU 37 Cb 0.16 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 3mqw s LEU 37 CO -0.01 -0.01 0.22 -0.62 0.23 0.00 0.00 176.35 176.15 3mqw s ASP 38 N -1.54 5.92 0.49 2.29 -1.08 -0.02 -4.70 116.67 118.03 3mqw s ASP 38 Ca 0.48 -0.46 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 3mqw s ASP 38 Cb -0.20 -2.10 1.26 0.00 -1.46 0.00 0.00 42.92 40.43 3mqw s ASP 38 CO 0.25 -0.23 1.98 -0.09 0.52 0.00 0.00 175.17 177.60 3mqw h ARG 39 N 8.45 0.15 0.00 4.34 9.65 -1.87 0.22 114.38 135.32 3mqw h ARG 39 Ca -0.31 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.48 3mqw h ARG 39 Cb 1.15 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 3mqw h ARG 39 CO 0.63 0.10 -0.34 0.87 2.80 0.00 0.00 179.97 184.03 3mqw h LYS 40 N 0.16 0.00 0.00 0.20 1.57 -1.93 -3.29 116.57 113.27 3mqw h LYS 40 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3mqw h LYS 40 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3mqw h LYS 40 CO -0.04 0.34 -1.51 0.25 -0.57 0.00 0.00 179.45 177.92 3mqw n THR 41 N -4.00 0.00 -0.83 -0.16 -2.24 -0.54 -4.99 114.28 101.51 3mqw n THR 41 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3mqw n THR 41 Cb 0.40 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3mqw n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqw n GLY 42 N 1.82 0.63 3.68 3.38 0.00 0.65 -5.00 105.19 110.35 3mqw n GLY 42 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3mqw n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mqw s ASP 43 N -2.61 4.43 0.49 1.61 1.01 -1.25 -4.87 116.67 115.48 3mqw s ASP 43 Ca 0.00 -0.86 -0.24 0.00 0.71 0.00 0.00 52.55 52.16 3mqw s ASP 43 Cb 0.00 -0.65 -0.07 0.00 1.01 0.00 0.00 42.92 43.21 3mqw s ASP 43 CO 0.00 -0.24 1.35 0.49 0.21 0.00 0.00 175.17 176.98 3mqw n PHE 44 N -1.03 2.34 0.26 4.23 3.72 -1.26 -0.84 117.46 124.87 3mqw n PHE 44 Ca -0.04 0.45 0.11 0.00 -0.05 0.00 0.00 57.45 57.92 3mqw n PHE 44 Cb 0.61 -2.39 0.69 0.00 -0.94 0.00 0.00 39.48 37.45 3mqw n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mqw h ALA 45 N 1.85 1.48 -2.28 4.37 0.00 -1.41 -3.44 119.26 119.83 3mqw h ALA 45 Ca -0.50 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 54.59 3mqw h ALA 45 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3mqw h ALA 45 CO 0.59 0.14 0.80 0.41 0.00 0.00 0.00 179.25 181.19 3mqw n GLY 46 N -0.94 0.34 0.05 0.00 0.00 -1.26 -4.94 105.19 98.44 3mqw n GLY 46 Ca -0.02 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.04 3mqw n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mqw n LYS 47 N -0.86 0.22 -3.35 1.61 5.02 -1.26 -4.54 118.16 115.01 3mqw n LYS 47 Ca 0.02 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 3mqw n LYS 47 Cb 0.58 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3mqw n LYS 47 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mqw s THR 48 N -3.13 5.04 0.37 -0.18 -4.23 -1.26 -4.96 115.64 107.29 3mqw s THR 48 Ca 0.07 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 3mqw s THR 48 Cb 0.15 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.57 3mqw s THR 48 CO 0.72 -0.35 1.87 -0.29 -0.54 0.00 0.00 174.62 176.03 3mqw h ILE 49 N 1.28 0.80 -0.27 2.99 6.09 -1.98 -1.77 117.51 124.65 3mqw h ILE 49 Ca -0.48 -0.21 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3mqw h ILE 49 Cb 1.19 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 3mqw h ILE 49 CO 0.66 0.11 0.12 -0.33 -3.07 0.00 0.00 178.15 175.63 3mqw h GLU 50 N 0.61 0.40 -0.23 2.19 3.07 -1.95 0.29 114.58 118.96 3mqw h GLU 50 Ca 0.44 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.13 3mqw h GLU 50 Cb 0.80 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3mqw h GLU 50 CO -0.19 0.42 -0.27 0.93 -1.40 0.00 0.00 179.01 178.50 3mqw h GLU 51 N 0.29 0.58 -0.53 2.33 5.08 -1.79 -2.37 114.58 118.17 3mqw h GLU 51 Ca 0.09 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 3mqw h GLU 51 Cb 0.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3mqw h GLU 51 CO -0.01 0.92 -0.12 1.96 -1.00 0.00 0.00 179.01 180.77 3mqw h GLN 52 N 0.28 1.01 -0.24 2.33 4.20 -1.28 -1.97 115.11 119.43 3mqw h GLN 52 Ca 0.03 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 3mqw h GLN 52 Cb 0.83 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3mqw h GLN 52 CO 0.06 1.06 0.09 0.77 -0.67 0.00 0.00 178.83 180.15 3mqw h SER 53 N 0.90 0.34 -0.42 1.46 0.02 -0.85 0.47 113.55 115.47 3mqw h SER 53 Ca 0.14 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3mqw h SER 53 Cb 0.68 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 3mqw h SER 53 CO 0.05 0.42 0.19 0.11 -1.14 0.00 0.00 176.83 176.46 3mqw h LYS 54 N 0.24 0.37 -0.78 3.45 1.57 -1.37 -1.88 116.57 118.16 3mqw h LYS 54 Ca 0.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3mqw h LYS 54 Cb 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3mqw h LYS 54 CO -0.01 0.25 0.31 0.37 -0.57 0.00 0.00 179.45 179.80 3mqw h GLN 55 N 0.39 1.16 -0.10 3.15 5.75 -0.94 -1.51 115.11 123.02 3mqw h GLN 55 Ca 0.18 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3mqw h GLN 55 Cb 0.12 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3mqw h GLN 55 CO -0.15 0.94 0.03 0.28 -2.65 0.00 0.00 178.83 177.29 3mqw h VAL 56 N 1.14 0.98 -0.76 2.39 2.07 -0.64 0.14 116.25 121.56 3mqw h VAL 56 Ca 0.26 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3mqw h VAL 56 Cb 0.21 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3mqw h VAL 56 CO -0.02 0.02 0.42 0.24 0.02 0.00 0.00 177.57 178.25 3mqw h MET 57 N 0.08 1.05 -0.37 1.57 2.86 -1.07 -0.54 114.93 118.52 3mqw h MET 57 Ca 0.04 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3mqw h MET 57 Cb 0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3mqw h MET 57 CO -0.04 0.76 0.05 1.15 1.06 0.00 0.00 176.91 179.89 3mqw h THR 58 N 1.06 1.24 -0.49 2.22 2.02 -0.99 -1.54 112.91 116.45 3mqw h THR 58 Ca 0.27 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3mqw h THR 58 Cb 0.01 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3mqw h THR 58 CO -0.05 0.30 0.32 0.78 0.37 0.00 0.00 175.52 177.24 3mqw h ASN 59 N 0.46 0.56 -0.56 4.18 2.35 -0.31 -1.13 115.58 121.13 3mqw h ASN 59 Ca 0.11 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3mqw h ASN 59 Cb 0.38 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3mqw h ASN 59 CO 0.01 0.41 0.37 -0.07 -1.65 0.00 0.00 177.43 176.50 3mqw h LEU 60 N 0.66 0.64 -0.53 1.61 3.38 -0.98 -2.22 115.31 117.87 3mqw h LEU 60 Ca 0.18 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3mqw h LEU 60 Cb -0.07 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3mqw h LEU 60 CO -0.04 0.46 0.17 0.50 0.09 0.00 0.00 178.44 179.63 3mqw h LYS 61 N 0.76 0.33 -0.40 1.13 3.64 -0.92 0.54 116.57 121.65 3mqw h LYS 61 Ca 0.21 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 3mqw h LYS 61 Cb -0.08 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 3mqw h LYS 61 CO -0.05 0.22 0.00 1.88 -2.27 0.00 0.00 179.45 179.23 3mqw h TYR 62 N 0.34 -0.02 -0.21 1.91 0.05 -0.77 0.03 116.97 118.30 3mqw h TYR 62 Ca 0.26 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 3mqw h TYR 62 Cb 0.31 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3mqw h TYR 62 CO -0.18 -0.08 0.09 0.28 -1.05 0.00 0.00 178.16 177.22 3mqw h VAL 63 N 0.11 1.16 -0.20 -2.88 2.07 -1.02 -1.27 116.25 114.21 3mqw h VAL 63 Ca 0.19 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3mqw h VAL 63 Cb 0.27 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3mqw h VAL 63 CO -0.32 0.16 0.05 -0.07 0.02 0.00 0.00 177.57 177.40 3mqw h LEU 64 N 0.20 0.03 -0.97 2.57 3.38 -0.70 -1.62 115.31 118.20 3mqw h LEU 64 Ca 0.07 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3mqw h LEU 64 Cb 0.17 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mqw h LEU 64 CO -0.01 0.05 0.08 -0.33 0.09 0.00 0.00 178.44 178.32 3mqw h GLU 65 N 0.13 0.83 -0.41 1.13 5.08 -0.92 0.77 114.58 121.19 3mqw h GLU 65 Ca 0.09 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3mqw h GLU 65 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3mqw h GLU 65 CO -0.11 0.78 0.07 1.49 -1.00 0.00 0.00 179.01 180.23 3mqw h GLU 66 N 0.79 0.62 0.00 2.33 4.57 -0.99 -2.28 114.58 119.63 3mqw h GLU 66 Ca 0.17 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3mqw h GLU 66 Cb 0.36 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3mqw h GLU 66 CO 0.01 0.60 0.00 0.00 -1.18 0.00 0.00 179.01 178.43 3mqw n ALA 67 N -2.47 1.81 -0.72 2.92 0.00 -0.63 -4.86 120.51 116.56 3mqw n ALA 67 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3mqw n ALA 67 Cb 0.22 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3mqw n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqw n GLY 68 N 0.31 0.61 0.00 0.00 0.00 -0.86 -5.01 105.19 100.24 3mqw n GLY 68 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3mqw n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mqw n SER 69 N 0.51 0.26 -3.57 1.61 2.88 0.22 -4.82 113.62 110.71 3mqw n SER 69 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3mqw n SER 69 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3mqw n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3mqw s SER 70 N -0.70 -0.10 0.31 -3.46 1.04 -1.26 -3.82 113.70 105.72 3mqw s SER 70 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.93 3mqw s SER 70 Cb 0.00 0.52 0.53 0.00 0.10 0.00 0.00 66.02 67.17 3mqw s SER 70 CO 0.00 -0.99 1.79 0.24 0.98 0.00 0.00 173.24 175.26 3mqw h MET 71 N 2.00 0.42 0.00 4.02 2.86 -1.94 -2.35 114.93 119.94 3mqw h MET 71 Ca -0.26 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3mqw h MET 71 Cb 1.23 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3mqw h MET 71 CO 0.30 0.60 0.00 -0.44 1.06 0.00 0.00 176.91 178.43 3mqw h ASP 72 N 0.38 0.00 -0.68 1.22 3.32 -1.95 -2.50 116.42 116.21 3mqw h ASP 72 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3mqw h ASP 72 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3mqw h ASP 72 CO 0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.85 3mqw n LYS 73 N -2.58 2.67 -2.43 3.56 5.02 -0.89 -4.97 118.16 118.54 3mqw n LYS 73 Ca 0.01 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.30 3mqw n LYS 73 Cb 0.24 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 3mqw n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mqw s VAL 74 N -1.09 4.02 -0.19 -0.18 1.01 -0.94 -1.40 120.40 121.63 3mqw s VAL 74 Ca 0.48 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.83 3mqw s VAL 74 Cb 0.25 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.48 3mqw s VAL 74 CO 0.33 0.12 0.12 0.52 0.00 0.00 0.00 175.10 176.19 3mqw n VAL 75 N 3.82 1.63 -3.70 2.92 0.31 0.35 -4.52 118.33 119.14 3mqw n VAL 75 Ca 0.08 -0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 3mqw n VAL 75 Cb 0.46 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.54 3mqw n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3mqw s LYS 76 N -2.50 0.61 0.21 5.55 2.47 -1.03 -1.36 119.74 123.69 3mqw s LYS 76 Ca -0.29 0.57 0.09 0.00 -1.56 0.00 0.00 55.97 54.78 3mqw s LYS 76 Cb 0.08 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.70 3mqw s LYS 76 CO 0.66 -0.09 -0.17 0.95 0.16 0.00 0.00 175.35 176.85 3mqw s THR 77 N 0.02 1.93 -0.10 3.43 -4.23 -0.37 -0.84 115.64 115.48 3mqw s THR 77 Ca -0.02 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 58.35 3mqw s THR 77 Cb -0.03 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3mqw s THR 77 CO 0.02 -0.46 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.58 3mqw s THR 78 N -2.58 1.56 -0.22 3.99 2.01 -0.71 -1.74 115.64 117.96 3mqw s THR 78 Ca 0.22 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.52 3mqw s THR 78 Cb -0.03 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 71.11 3mqw s THR 78 CO 0.08 0.45 -0.14 0.00 -0.69 0.00 0.00 174.62 174.33 3mqw s LEU 80 N 1.27 3.12 0.10 0.00 1.02 0.16 -2.08 118.68 122.26 3mqw s LEU 80 Ca 0.01 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.99 3mqw s LEU 80 Cb -0.15 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 3mqw s LEU 80 CO -0.09 0.09 -0.08 -0.76 0.02 0.00 0.00 176.35 175.53 3mqw s LEU 81 N 0.86 3.13 0.44 1.79 1.43 -0.33 -0.91 118.68 125.07 3mqw s LEU 81 Ca -0.01 -0.33 0.24 0.00 -1.03 0.00 0.00 54.13 53.00 3mqw s LEU 81 Cb -0.14 -1.90 0.88 0.00 0.03 0.00 0.00 46.19 45.06 3mqw s LEU 81 CO 0.02 0.18 1.81 0.00 0.23 0.00 0.00 176.35 178.59 3mqw h ALA 82 N 3.63 1.01 -3.05 4.21 0.00 -1.32 -0.02 119.26 123.72 3mqw h ALA 82 Ca -0.49 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 53.93 3mqw h ALA 82 Cb 1.17 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.57 3mqw h ALA 82 CO 0.54 0.29 -0.62 0.34 0.00 0.00 0.00 179.25 179.80 3mqw s ASP 83 N -6.20 0.69 0.47 0.00 -1.08 -1.26 -4.74 116.67 104.53 3mqw s ASP 83 Ca 0.01 0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.63 3mqw s ASP 83 Cb 0.10 0.35 1.21 0.00 -1.46 0.00 0.00 42.92 43.12 3mqw s ASP 83 CO 0.64 -0.24 1.91 -0.29 0.52 0.00 0.00 175.17 177.70 3mqw h ILE 84 N 6.35 0.70 0.00 4.11 6.09 -1.94 -1.90 117.51 130.93 3mqw h ILE 84 Ca -0.13 -0.09 -0.00 0.00 -1.37 0.00 0.00 64.86 63.27 3mqw h ILE 84 Cb 1.12 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 3mqw h ILE 84 CO 0.14 0.05 -0.00 0.11 -3.07 0.00 0.00 178.15 175.38 3mqw h LYS 85 N 0.25 0.00 -0.01 2.19 1.57 -2.00 -1.47 116.57 117.10 3mqw h LYS 85 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3mqw h LYS 85 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3mqw h LYS 85 CO -0.09 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.54 3mqw n ASP 86 N -3.16 0.08 -0.25 0.86 8.00 -0.71 -4.27 116.55 117.10 3mqw n ASP 86 Ca -0.03 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3mqw n ASP 86 Cb 0.08 -0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.30 3mqw n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3mqw h PHE 87 N 0.12 0.70 0.26 1.24 3.57 -1.46 -0.43 116.94 120.94 3mqw h PHE 87 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3mqw h PHE 87 Cb 0.03 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3mqw h PHE 87 CO 0.00 0.30 -0.12 0.78 -2.23 0.00 0.00 178.31 177.04 3mqw h GLY 88 N 0.68 -0.36 1.03 2.40 0.00 -1.84 0.16 103.07 105.15 3mqw h GLY 88 Ca 0.34 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 3mqw h GLY 88 CO -0.23 -0.13 0.15 -0.24 0.00 0.00 0.00 176.54 176.10 3mqw h VAL 89 N -0.54 1.26 -0.19 4.60 3.04 -1.83 -2.02 116.25 120.56 3mqw h VAL 89 Ca -0.04 -0.93 0.02 0.00 -1.01 0.00 0.00 66.70 64.74 3mqw h VAL 89 Cb 0.40 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 3mqw h VAL 89 CO 0.06 0.35 0.05 0.15 -1.01 0.00 0.00 177.57 177.17 3mqw h PHE 90 N 0.94 0.09 -0.77 3.17 3.57 -1.01 -2.69 116.94 120.25 3mqw h PHE 90 Ca 0.20 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3mqw h PHE 90 Cb 0.36 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3mqw h PHE 90 CO 0.03 0.04 0.50 -0.97 -2.23 0.00 0.00 178.31 175.68 3mqw h ASN 91 N 0.14 0.68 -0.49 0.41 -1.24 -0.69 0.53 115.58 114.91 3mqw h ASN 91 Ca 0.08 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3mqw h ASN 91 Cb 0.07 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3mqw h ASN 91 CO -0.10 0.43 -0.06 1.23 -1.29 0.00 0.00 177.43 177.64 3mqw h GLY 92 N 0.77 0.98 0.96 1.57 0.00 -1.06 -0.31 103.07 105.99 3mqw h GLY 92 Ca 0.34 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3mqw h GLY 92 CO -0.12 0.71 -0.23 -2.22 0.00 0.00 0.00 176.54 174.67 3mqw h ILE 93 N 0.77 1.30 -0.25 2.60 2.04 -1.10 -1.47 117.51 121.39 3mqw h ILE 93 Ca 0.13 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.67 3mqw h ILE 93 Cb 0.60 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3mqw h ILE 93 CO 0.04 0.44 -0.10 0.22 0.00 0.00 0.00 178.15 178.75 3mqw h TYR 94 N 0.46 -0.22 -0.57 1.37 3.20 -0.88 -1.36 116.97 118.96 3mqw h TYR 94 Ca 0.06 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3mqw h TYR 94 Cb 0.79 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 3mqw h TYR 94 CO 0.07 -0.15 0.32 0.00 -1.64 0.00 0.00 178.16 176.75 3mqw h ALA 95 N 1.18 0.75 -0.75 1.82 0.00 -0.92 -1.96 119.26 119.38 3mqw h ALA 95 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3mqw h ALA 95 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3mqw h ALA 95 CO -0.29 -0.00 0.38 1.05 0.00 0.00 0.00 179.25 180.39 3mqw h GLU 96 N 0.61 1.06 -0.17 0.00 -0.00 -1.02 -0.38 114.58 114.68 3mqw h GLU 96 Ca 0.25 -0.14 -0.12 0.00 -0.00 0.00 0.00 59.36 59.35 3mqw h GLU 96 Cb 0.12 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 28.65 3mqw h GLU 96 CO -0.15 0.80 -0.42 0.00 -0.00 0.00 0.00 179.01 179.24 3mqw h ALA 97 N 1.36 0.96 0.00 1.06 0.00 -0.75 -3.08 119.26 118.80 3mqw h ALA 97 Ca 0.26 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mqw h ALA 97 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mqw h ALA 97 CO -0.04 0.63 -0.48 1.19 0.00 0.00 0.00 179.25 180.55 3mqw n PHE 98 N -4.02 0.56 0.00 0.00 3.72 -0.78 -5.02 117.46 111.92 3mqw n PHE 98 Ca -0.02 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 3mqw n PHE 98 Cb 0.51 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3mqw n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mqw n GLY 99 N 1.35 3.96 0.35 1.37 0.00 -0.18 -1.57 105.19 110.47 3mqw n GLY 99 Ca 0.04 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3mqw n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mqw n ASN 100 N 7.26 1.26 -4.78 1.61 3.02 -1.26 -4.84 115.26 117.53 3mqw n ASN 100 Ca 0.00 -1.15 -0.38 0.00 -0.03 0.00 0.00 54.58 53.02 3mqw n ASN 100 Cb 0.00 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 3mqw n ASN 100 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mqw s HIS 101 N -2.30 3.80 -0.46 3.10 2.46 -0.61 -5.03 115.29 116.24 3mqw s HIS 101 Ca 0.29 1.68 0.03 0.00 0.47 0.00 0.00 55.06 57.54 3mqw s HIS 101 Cb 0.20 -2.83 0.16 0.00 -0.13 0.00 0.00 32.58 29.98 3mqw s HIS 101 CO 0.45 0.37 0.32 0.15 -2.47 0.00 0.00 174.74 173.55 3mqw s LYS 102 N -1.63 1.22 1.00 2.88 1.02 -1.26 -4.81 119.74 118.16 3mqw s LYS 102 Ca 0.43 -2.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.13 3mqw s LYS 102 Cb -0.21 -2.00 0.19 0.00 -0.52 0.00 0.00 37.83 35.30 3mqw s LYS 102 CO 0.25 -1.28 1.08 -2.14 -0.92 0.00 0.00 175.35 172.35 3mqw s PRO 103 N 0.04 0.37 0.83 -1.68 0.02 -1.26 -5.01 135.00 128.31 3mqw s PRO 103 Ca 0.25 1.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.18 3mqw s PRO 103 Cb -0.10 -1.69 0.09 0.00 0.02 0.00 0.00 34.50 32.82 3mqw s PRO 103 CO -0.10 -2.91 1.10 0.00 -0.33 0.00 0.00 177.00 174.76 3mqw s ALA 104 N -2.68 1.94 -0.14 -1.55 0.00 -0.46 -4.89 121.76 113.97 3mqw s ALA 104 Ca 0.66 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3mqw s ALA 104 Cb -0.22 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3mqw s ALA 104 CO 0.60 -2.08 0.55 0.50 0.00 0.00 0.00 175.76 175.33 3mqw s ARG 105 N -4.86 0.75 0.06 0.00 3.52 -1.26 -1.24 118.95 115.92 3mqw s ARG 105 Ca 0.63 0.52 0.06 0.00 -0.13 0.00 0.00 55.73 56.80 3mqw s ARG 105 Cb -0.18 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 3mqw s ARG 105 CO 0.57 -0.15 -0.17 0.00 -0.81 0.00 0.00 175.30 174.73 3mqw s ALA 106 N -0.29 1.46 0.01 6.12 0.00 -0.71 -4.97 121.76 123.38 3mqw s ALA 106 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3mqw s ALA 106 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3mqw s ALA 106 CO 0.03 0.29 -0.02 0.00 0.00 0.00 0.00 175.76 176.06 3mqw s PHE 108 N -0.40 -0.30 -0.20 0.00 -0.12 -0.89 -4.98 117.98 111.10 3mqw s PHE 108 Ca -0.03 0.02 -0.12 0.00 -0.05 0.00 0.00 56.93 56.75 3mqw s PHE 108 Cb -0.03 0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3mqw s PHE 108 CO -0.00 -0.87 0.20 0.00 -0.05 0.00 0.00 175.22 174.50 3mqw s ALA 109 N -3.52 3.63 0.54 1.99 0.00 -1.26 -1.19 121.76 121.95 3mqw s ALA 109 Ca 0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.31 3mqw s ALA 109 Cb -0.02 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3mqw s ALA 109 CO -0.03 0.02 0.87 0.00 0.00 0.00 0.00 175.76 176.62 3mqw s ALA 110 N 0.63 3.30 0.25 0.00 0.00 -0.02 -4.91 121.76 121.02 3mqw s ALA 110 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3mqw s ALA 110 Cb -0.12 -2.71 0.31 0.00 0.00 0.00 0.00 23.12 20.59 3mqw s ALA 110 CO 0.02 -0.53 1.73 0.00 0.00 0.00 0.00 175.76 176.98 3mqw h ALA 111 N 0.01 1.05 -2.08 0.00 0.00 -1.91 -3.43 119.26 112.90 3mqw h ALA 111 Ca -0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 3mqw h ALA 111 Cb 1.21 -0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.64 3mqw h ALA 111 CO 0.62 0.58 0.23 0.00 0.00 0.00 0.00 179.25 180.68 3mqw s ALA 112 N -4.87 -1.77 0.26 0.00 0.00 -1.26 -5.06 121.76 109.06 3mqw s ALA 112 Ca -0.09 1.24 0.12 0.00 0.00 0.00 0.00 51.96 53.23 3mqw s ALA 112 Cb 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3mqw s ALA 112 CO 0.81 -0.42 -0.21 -0.51 0.00 0.00 0.00 175.76 175.44 3mqw s LEU 113 N -1.39 2.56 0.22 0.00 1.43 -1.26 -5.07 118.68 115.18 3mqw s LEU 113 Ca -0.08 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 51.70 3mqw s LEU 113 Cb -0.00 -1.10 -0.14 0.00 0.03 0.00 0.00 46.19 44.97 3mqw s LEU 113 CO 0.06 0.05 1.29 -2.65 0.23 0.00 0.00 176.35 175.33 3mqw n PRO 114 N -0.48 1.67 -1.86 1.29 -0.02 -1.26 -1.92 135.00 132.42 3mqw n PRO 114 Ca -0.06 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 3mqw n PRO 114 Cb 0.59 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3mqw n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mqw n LYS 115 N 1.79 -1.55 -1.30 -0.52 5.02 -1.26 -1.79 118.16 118.55 3mqw n LYS 115 Ca 0.12 1.08 -0.10 0.00 -2.02 0.00 0.00 58.31 57.39 3mqw n LYS 115 Cb 0.29 -5.55 -0.04 0.00 -0.02 0.00 0.00 35.03 29.71 3mqw n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mqw n GLY 116 N -0.58 1.17 3.60 0.72 0.00 -0.81 -4.98 105.19 104.31 3mqw n GLY 116 Ca -0.21 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3mqw n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqw n ALA 117 N 1.19 0.12 0.45 4.61 0.00 -0.74 -4.92 120.51 121.23 3mqw n ALA 117 Ca -0.10 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3mqw n ALA 117 Cb 0.38 -2.07 0.22 0.00 0.00 0.00 0.00 19.45 17.98 3mqw n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mqw h LEU 118 N 1.29 0.00 -7.03 0.00 3.38 -1.93 -3.40 115.31 107.61 3mqw h LEU 118 Ca -0.45 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3mqw h LEU 118 Cb 1.35 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.89 3mqw h LEU 118 CO 0.55 0.03 0.11 0.54 0.09 0.00 0.00 178.44 179.77 3mqw s VAL 119 N -3.18 0.00 -0.01 1.22 0.11 -1.26 -1.02 120.40 116.26 3mqw s VAL 119 Ca 0.07 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 3mqw s VAL 119 Cb 0.11 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3mqw s VAL 119 CO 0.68 -0.00 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.74 3mqw s GLU 120 N 0.14 0.15 -0.04 1.54 2.12 -0.09 -4.27 118.70 118.26 3mqw s GLU 120 Ca -0.02 -0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3mqw s GLU 120 Cb -0.04 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.16 3mqw s GLU 120 CO 0.02 -0.00 -0.06 0.08 -0.54 0.00 0.00 175.26 174.76 3mqw s VAL 121 N 0.21 0.62 0.39 3.70 1.01 -0.32 -0.67 120.40 125.35 3mqw s VAL 121 Ca -0.02 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3mqw s VAL 121 Cb -0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 3mqw s VAL 121 CO -0.01 0.23 0.03 -1.83 0.00 0.00 0.00 175.10 173.52 3mqw s GLU 122 N 0.62 2.00 0.27 2.72 -1.05 -0.55 -0.60 118.70 122.11 3mqw s GLU 122 Ca -0.09 -1.98 -0.20 0.00 -0.15 0.00 0.00 54.97 52.56 3mqw s GLU 122 Cb -0.12 -1.76 0.02 0.00 -0.44 0.00 0.00 34.13 31.83 3mqw s GLU 122 CO 0.01 -0.01 0.67 0.00 0.95 0.00 0.00 175.26 176.88 3mqw s ILE 124 N -3.93 2.29 0.19 0.00 1.01 -0.02 -1.29 121.20 119.46 3mqw s ILE 124 Ca 0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3mqw s ILE 124 Cb -0.05 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3mqw s ILE 124 CO 0.06 0.56 0.11 0.00 0.00 0.00 0.00 174.94 175.67 3mqw s ALA 125 N -0.66 1.14 0.22 9.38 0.00 -0.02 -0.50 121.76 131.32 3mqw s ALA 125 Ca 0.11 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.49 3mqw s ALA 125 Cb -0.10 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 3mqw s ALA 125 CO -0.00 -0.56 0.03 -0.08 0.00 0.00 0.00 175.76 175.15 3mqw s THR 126 N -4.11 3.75 -2.00 0.00 -1.32 -0.49 -0.04 115.64 111.43 3mqw s THR 126 Ca 0.36 -1.60 0.24 0.00 -1.21 0.00 0.00 61.69 59.47 3mqw s THR 126 Cb 0.07 -2.95 0.67 0.00 -1.51 0.00 0.00 72.50 68.78 3mqw s THR 126 CO 0.10 -0.25 1.77 0.18 -2.21 0.00 0.00 174.62 174.21