#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s ALA -7 N 0.00 2.24 0.05 -1.84 0.00 -1.26 -5.05 121.76 115.91 3mqw s ALA -7 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3mqw s ALA -7 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3mqw s ALA -7 CO 0.00 -1.65 -0.06 -1.14 0.00 0.00 0.00 175.76 172.91 3mqw s GLN -6 N -4.02 0.58 0.80 0.00 0.74 -1.26 -5.15 119.66 111.36 3mqw s GLN -6 Ca 0.71 -0.96 -0.12 0.00 0.05 0.00 0.00 55.36 55.04 3mqw s GLN -6 Cb -0.25 -0.12 0.08 0.00 1.10 0.00 0.00 33.01 33.82 3mqw s GLN -6 CO 0.44 -0.01 1.13 0.95 -0.55 0.00 0.00 175.29 177.25 3mqw s THR -5 N -2.40 2.71 -0.26 -0.34 -4.23 -1.26 -4.98 115.64 104.88 3mqw s THR -5 Ca -0.02 0.26 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 3mqw s THR -5 Cb -0.03 -2.61 0.48 0.00 1.34 0.00 0.00 72.50 71.68 3mqw s THR -5 CO -0.03 -0.27 1.15 0.00 -0.54 0.00 0.00 174.62 174.93 3mqw n GLN -4 N -3.48 2.52 0.00 3.99 1.13 -1.26 -5.10 117.38 115.18 3mqw n GLN -4 Ca 0.11 -3.74 0.00 0.00 -1.94 0.00 0.00 57.00 51.43 3mqw n GLN -4 Cb 0.52 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.63 2.45 3.74 1.08 0.00 -1.26 -4.67 105.19 105.90 3mqw n GLY -3 Ca 0.24 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3mqw n GLY -3 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mqw s PRO -2 N -3.40 4.13 0.00 1.61 0.02 -1.26 -0.95 135.00 135.15 3mqw s PRO -2 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3mqw s PRO -2 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3mqw s PRO -2 CO 0.00 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3mqw n GLY -1 N 2.84 2.38 0.14 0.52 0.00 -1.26 -4.91 105.19 104.90 3mqw n GLY -1 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3mqw n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mqw h SER 0 N 0.00 0.06 -3.88 1.61 4.64 -1.32 -3.43 113.55 111.22 3mqw h SER 0 Ca 0.00 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.66 3mqw h SER 0 Cb 0.00 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 61.76 3mqw h SER 0 CO 0.00 0.69 -0.86 -0.32 -0.87 0.00 0.00 176.83 175.47 3mqw s MET 1 N -3.56 2.18 0.29 4.77 -2.45 -1.26 -4.92 119.30 114.36 3mqw s MET 1 Ca -0.02 -0.74 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 3mqw s MET 1 Cb 0.12 -1.85 -0.02 0.00 1.25 0.00 0.00 34.83 34.33 3mqw s MET 1 CO 0.78 0.28 0.31 -1.54 1.05 0.00 0.00 175.02 175.90 3mqw s SER 2 N 0.01 0.88 0.22 1.11 1.04 -1.26 -5.05 113.70 110.65 3mqw s SER 2 Ca -0.05 -1.50 -0.07 0.00 0.48 0.00 0.00 55.95 54.80 3mqw s SER 2 Cb -0.13 0.54 0.36 0.00 0.10 0.00 0.00 66.02 66.89 3mqw s SER 2 CO 0.03 -1.07 1.73 0.50 0.98 0.00 0.00 173.24 175.41 3mqw h LYS 3 N 2.27 0.39 -5.34 4.02 3.64 -2.01 -3.38 116.57 116.17 3mqw h LYS 3 Ca -0.29 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.45 3mqw h LYS 3 Cb 1.24 -0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.82 3mqw h LYS 3 CO 0.41 0.26 -0.56 -0.51 -2.27 0.00 0.00 179.45 176.78 3mqw s LEU 4 N -10.44 3.85 -0.12 5.20 1.43 -1.26 -4.28 118.68 113.06 3mqw s LEU 4 Ca -0.13 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3mqw s LEU 4 Cb 0.19 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3mqw s LEU 4 CO 0.75 0.20 -0.13 -0.89 0.23 0.00 0.00 176.35 176.51 3mqw s THR 5 N 0.21 3.08 0.06 5.49 2.01 -0.71 -4.96 115.64 120.81 3mqw s THR 5 Ca 0.04 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 3mqw s THR 5 Cb -0.12 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 3mqw s THR 5 CO 0.00 0.54 0.76 -0.69 -0.69 0.00 0.00 174.62 174.54 3mqw s VAL 6 N 0.14 4.69 -0.22 3.82 1.01 -1.26 -0.48 120.40 128.10 3mqw s VAL 6 Ca -0.07 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 3mqw s VAL 6 Cb -0.15 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3mqw s VAL 6 CO 0.05 0.39 0.20 -0.69 0.00 0.00 0.00 175.10 175.04 3mqw s VAL 7 N -0.20 5.34 -0.41 2.92 1.01 -0.25 -4.96 120.40 123.85 3mqw s VAL 7 Ca 0.38 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.67 3mqw s VAL 7 Cb -0.21 -3.54 0.15 0.00 0.00 0.00 0.00 36.38 32.78 3mqw s VAL 7 CO 0.23 0.34 0.28 0.00 0.00 0.00 0.00 175.10 175.96 3mqw s ALA 8 N 0.98 1.54 0.00 5.51 0.00 -1.26 -3.65 121.76 124.88 3mqw s ALA 8 Ca 0.10 -2.35 -0.30 0.00 0.00 0.00 0.00 51.96 49.41 3mqw s ALA 8 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3mqw s ALA 8 CO 0.04 -2.05 1.06 0.45 0.00 0.00 0.00 175.76 175.26 3mqw s SER 9 N 0.41 7.25 0.00 0.00 0.15 -1.26 -4.93 113.70 115.32 3mqw s SER 9 Ca 0.23 1.76 0.17 0.00 0.70 0.00 0.00 55.95 58.81 3mqw s SER 9 Cb -0.13 -2.57 0.83 0.00 -1.71 0.00 0.00 66.02 62.44 3mqw s SER 9 CO -0.07 -0.36 1.52 -0.81 1.20 0.00 0.00 173.24 174.71 3mqw n PRO 10 N 4.11 0.18 0.04 5.44 -0.04 -1.26 -3.29 135.00 140.18 3mqw n PRO 10 Ca 0.07 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 3mqw n PRO 10 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.34 0.60 -4.95 1.53 4.77 -1.26 -4.91 117.00 111.43 3mqw n LEU 11 Ca 0.07 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 3mqw n LEU 11 Cb 0.15 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3mqw n LEU 11 CO 0.14 0.01 0.19 0.00 -1.33 0.00 0.00 177.39 176.40 3mqw s ALA 12 N -3.19 3.76 0.30 -1.18 0.00 -1.21 -4.54 121.76 115.70 3mqw s ALA 12 Ca -0.04 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 3mqw s ALA 12 Cb 0.10 -2.07 -0.13 0.00 0.00 0.00 0.00 23.12 21.02 3mqw s ALA 12 CO 0.83 -0.11 1.22 -2.30 0.00 0.00 0.00 175.76 175.40 3mqw n PRO 13 N -1.84 1.81 -2.30 0.00 -0.02 -1.26 -4.82 135.00 126.58 3mqw n PRO 13 Ca -0.03 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3mqw n PRO 13 Cb 0.57 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.41 4.48 -0.88 -0.52 2.12 -1.26 -4.92 118.70 116.32 3mqw s GLU 14 Ca 0.60 1.98 -0.25 0.00 0.36 0.00 0.00 54.97 57.66 3mqw s GLU 14 Cb -0.64 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 30.60 3mqw s GLU 14 CO 0.59 -0.05 1.55 0.00 -0.54 0.00 0.00 175.26 176.80 3mqw s ALA 15 N -0.67 2.46 -1.85 6.30 0.00 -1.26 -4.81 121.76 121.92 3mqw s ALA 15 Ca 0.50 -1.70 0.26 0.00 0.00 0.00 0.00 51.96 51.02 3mqw s ALA 15 Cb -0.35 -4.44 0.63 0.00 0.00 0.00 0.00 23.12 18.96 3mqw s ALA 15 CO 0.43 -3.79 1.49 1.33 0.00 0.00 0.00 175.76 175.21 3mqw n VAL 16 N 6.98 0.00 -2.78 0.00 0.24 -1.26 -4.89 118.33 116.62 3mqw n VAL 16 Ca 0.25 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3mqw n VAL 16 Cb 0.50 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3mqw n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mqw n GLY 17 N 1.35 2.69 2.36 7.63 0.00 -1.26 -4.99 105.19 112.97 3mqw n GLY 17 Ca 0.12 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.00 7.22 -3.74 4.61 0.00 -1.26 -4.80 120.51 119.54 3mqw n ALA 18 Ca 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 53.44 49.71 3mqw n ALA 18 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 19.45 16.36 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 0.79 -0.28 0.22 0.00 -0.85 -1.26 -5.18 117.35 110.79 3mqw s TYR 19 Ca 0.64 -0.11 0.11 0.00 -0.52 0.00 0.00 57.07 57.19 3mqw s TYR 19 Cb 0.19 0.67 -0.05 0.00 0.38 0.00 0.00 41.96 43.16 3mqw s TYR 19 CO -0.08 -1.12 -0.19 -1.12 -1.52 0.00 0.00 175.55 171.52 3mqw s SER 20 N -2.87 3.68 0.29 -0.18 0.01 -1.26 -4.82 113.70 108.54 3mqw s SER 20 Ca 0.08 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.46 3mqw s SER 20 Cb -0.05 -0.38 0.42 0.00 0.21 0.00 0.00 66.02 66.23 3mqw s SER 20 CO 0.01 0.08 1.94 1.56 0.41 0.00 0.00 173.24 177.25 3mqw h GLN 21 N 2.78 1.13 -2.80 12.44 4.20 -1.94 -3.41 115.11 127.51 3mqw h GLN 21 Ca -0.44 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.22 3mqw h GLN 21 Cb 1.23 -0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.63 3mqw h GLN 21 CO 0.53 0.75 0.29 0.00 -0.67 0.00 0.00 178.83 179.73 3mqw s ALA 22 N -5.98 -1.63 -0.06 3.87 0.00 -1.25 -0.65 121.76 116.06 3mqw s ALA 22 Ca -0.12 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3mqw s ALA 22 Cb 0.18 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 24.06 3mqw s ALA 22 CO 0.80 -0.78 -0.19 0.42 0.00 0.00 0.00 175.76 176.02 3mqw s ILE 23 N -3.59 1.62 -0.13 0.00 -1.09 -0.41 -1.09 121.20 116.52 3mqw s ILE 23 Ca 0.03 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.52 3mqw s ILE 23 Cb -0.01 -1.40 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 3mqw s ILE 23 CO -0.10 0.46 0.30 -0.63 -1.23 0.00 0.00 174.94 173.74 3mqw s ILE 24 N 0.19 5.28 -0.14 2.92 1.01 0.37 -0.48 121.20 130.36 3mqw s ILE 24 Ca -0.09 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 3mqw s ILE 24 Cb -0.14 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.76 3mqw s ILE 24 CO 0.04 0.45 0.30 0.00 0.00 0.00 0.00 174.94 175.73 3mqw n ASN 26 N 4.81 -3.38 0.00 0.00 3.02 -1.26 -1.78 115.26 116.68 3mqw n ASN 26 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3mqw n ASN 26 Cb 0.52 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 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 -1.61 0.62 3.34 7.41 0.00 -1.26 -5.03 105.19 108.65 3mqw n GLY 27 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 1.48 -0.20 1.61 -1.94 -0.73 -1.92 119.30 117.48 3mqw s MET 28 Ca 0.00 -1.18 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 3mqw s MET 28 Cb 0.00 -1.78 -0.00 0.00 2.01 0.00 0.00 34.83 35.05 3mqw s MET 28 CO 0.00 0.44 -0.10 0.08 -0.01 0.00 0.00 175.02 175.43 3mqw s VAL 29 N -0.95 2.93 -0.34 -6.03 1.01 0.94 -0.61 120.40 117.34 3mqw s VAL 29 Ca 0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 3mqw s VAL 29 Cb -0.10 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.02 3mqw s VAL 29 CO 0.04 0.47 0.13 -0.31 0.00 0.00 0.00 175.10 175.43 3mqw s TYR 30 N 1.27 3.24 -0.09 5.22 2.02 0.37 -0.85 117.35 128.53 3mqw s TYR 30 Ca 0.03 -1.25 -0.08 0.00 -0.37 0.00 0.00 57.07 55.41 3mqw s TYR 30 Cb -0.14 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3mqw s TYR 30 CO -0.05 -0.69 0.18 0.00 -1.57 0.00 0.00 175.55 173.42 3mqw s SER 32 N -1.13 3.39 -0.24 0.00 0.01 0.17 -3.42 113.70 112.48 3mqw s SER 32 Ca 0.18 2.08 -0.29 0.00 1.31 0.00 0.00 55.95 59.23 3mqw s SER 32 Cb -0.13 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3mqw s SER 32 CO 0.07 -2.79 1.89 -0.83 0.41 0.00 0.00 173.24 171.98 3mqw s GLY 33 N -2.89 0.88 0.15 3.44 0.00 -1.26 -4.40 107.32 103.24 3mqw s GLY 33 Ca 0.65 0.55 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 3mqw s GLY 33 CO 0.57 3.37 0.81 1.20 0.00 0.00 0.00 173.10 179.05 3mqw s GLN 34 N 5.50 4.61 0.42 2.90 -1.52 0.44 -4.77 119.66 127.25 3mqw s GLN 34 Ca 0.84 1.21 0.07 0.00 -1.95 0.00 0.00 55.36 55.54 3mqw s GLN 34 Cb -0.28 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.18 3mqw s GLN 34 CO 0.34 0.49 0.24 0.96 -0.25 0.00 0.00 175.29 177.06 3mqw s ILE 35 N -0.88 2.37 -0.21 1.08 -4.36 -1.26 -1.66 121.20 116.28 3mqw s ILE 35 Ca 0.38 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.15 3mqw s ILE 35 Cb -0.23 -2.97 0.06 0.00 1.25 0.00 0.00 42.46 40.56 3mqw s ILE 35 CO 0.27 0.00 2.41 0.61 0.24 0.00 0.00 174.94 178.46 3mqw n GLY 36 N -1.33 3.57 3.75 6.27 0.00 -1.26 -4.58 105.19 111.61 3mqw n GLY 36 Ca 0.00 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.14 4.62 -0.29 0.99 1.43 -1.26 -1.21 118.68 121.81 3mqw s LEU 37 Ca 0.34 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 3mqw s LEU 37 Cb 0.22 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3mqw s LEU 37 CO -0.04 0.05 0.27 -0.62 0.23 0.00 0.00 176.35 176.24 3mqw s ASP 38 N -1.07 6.12 0.44 2.29 -1.08 -0.14 -4.64 116.67 118.60 3mqw s ASP 38 Ca 0.42 -0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.62 3mqw s ASP 38 Cb -0.28 -2.16 1.11 0.00 -1.46 0.00 0.00 42.92 40.13 3mqw s ASP 38 CO 0.35 -0.15 1.93 -0.09 0.52 0.00 0.00 175.17 177.73 3mqw h ARG 39 N 8.34 0.34 0.00 4.34 9.65 -1.88 0.36 114.38 135.53 3mqw h ARG 39 Ca -0.33 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 3mqw h ARG 39 Cb 1.17 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.67 3mqw h ARG 39 CO 0.61 0.23 -0.09 0.87 2.80 0.00 0.00 179.97 184.38 3mqw h LYS 40 N 0.35 0.00 0.00 0.20 1.57 -1.93 -3.26 116.57 113.50 3mqw h LYS 40 Ca 0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 3mqw h LYS 40 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3mqw h LYS 40 CO -0.10 0.09 -1.10 0.25 -0.57 0.00 0.00 179.45 178.02 3mqw n THR 41 N -3.32 0.04 -1.00 -0.16 -2.24 -0.55 -5.02 114.28 102.02 3mqw n THR 41 Ca -0.01 -0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3mqw n THR 41 Cb 0.29 -0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 2.56 0.37 3.48 3.38 0.00 0.12 -5.03 105.19 110.07 3mqw n GLY 42 Ca -0.01 -0.02 -0.23 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 -2.02 2.56 0.46 1.61 1.01 -1.25 -4.91 116.67 114.14 3mqw s ASP 43 Ca 0.00 -1.45 -0.25 0.00 0.71 0.00 0.00 52.55 51.56 3mqw s ASP 43 Cb 0.00 0.05 -0.08 0.00 1.01 0.00 0.00 42.92 43.90 3mqw s ASP 43 CO 0.00 -0.68 1.41 0.49 0.21 0.00 0.00 175.17 176.60 3mqw n PHE 44 N -0.76 2.60 -0.11 4.23 3.72 -1.26 -0.96 117.46 124.92 3mqw n PHE 44 Ca -0.04 0.44 0.19 0.00 -0.05 0.00 0.00 57.45 57.99 3mqw n PHE 44 Cb 0.66 -2.44 0.59 0.00 -0.94 0.00 0.00 39.48 37.36 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 2.15 2.33 -1.73 4.37 0.00 -1.48 -3.44 119.26 121.46 3mqw h ALA 45 Ca -0.51 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.71 3mqw h ALA 45 Cb 1.28 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3mqw h ALA 45 CO 0.60 -0.52 0.82 0.20 0.00 0.00 0.00 179.25 180.34 3mqw s GLY 46 N -3.90 -0.30 0.24 0.00 0.00 -1.26 -4.95 107.32 97.15 3mqw s GLY 46 Ca -0.07 0.43 0.26 0.00 0.00 0.00 0.00 44.72 45.34 3mqw s GLY 46 CO 0.75 1.67 1.76 0.50 0.00 0.00 0.00 173.10 177.79 3mqw h LYS 47 N 2.00 0.00 -6.44 2.90 1.79 -1.98 -3.41 116.57 111.43 3mqw h LYS 47 Ca -0.28 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.71 3mqw h LYS 47 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3mqw h LYS 47 CO 0.30 0.00 -0.24 0.95 -1.08 0.00 0.00 179.45 179.37 3mqw s THR 48 N -3.15 5.14 0.29 -0.16 -4.23 -1.26 -4.98 115.64 107.29 3mqw s THR 48 Ca 0.09 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3mqw s THR 48 Cb 0.11 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.38 3mqw s THR 48 CO 0.57 -0.48 1.93 -0.29 -0.54 0.00 0.00 174.62 175.81 3mqw h ILE 49 N 0.90 1.13 0.26 2.99 6.09 -1.97 -1.45 117.51 125.46 3mqw h ILE 49 Ca -0.50 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 62.61 3mqw h ILE 49 Cb 1.22 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.44 3mqw h ILE 49 CO 0.62 0.20 -0.16 -0.33 -3.07 0.00 0.00 178.15 175.41 3mqw h GLU 50 N 1.10 -0.39 -0.45 2.19 3.07 -1.94 0.53 114.58 118.68 3mqw h GLU 50 Ca 0.36 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.20 3mqw h GLU 50 Cb 0.06 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3mqw h GLU 50 CO -0.11 -0.26 0.11 0.93 -1.40 0.00 0.00 179.01 178.27 3mqw h GLU 51 N -0.40 0.73 -0.35 2.33 5.08 -1.87 -2.16 114.58 117.93 3mqw h GLU 51 Ca -0.02 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 3mqw h GLU 51 Cb 0.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3mqw h GLU 51 CO 0.02 0.73 -0.35 1.96 -1.00 0.00 0.00 179.01 180.38 3mqw h GLN 52 N 0.60 0.79 -0.33 2.33 4.20 -1.22 -2.06 115.11 119.42 3mqw h GLN 52 Ca 0.14 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3mqw h GLN 52 Cb 0.33 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3mqw h GLN 52 CO 0.00 1.02 0.13 0.77 -0.67 0.00 0.00 178.83 180.08 3mqw h SER 53 N 0.66 0.46 -0.70 1.46 0.02 -0.82 -0.20 113.55 114.43 3mqw h SER 53 Ca 0.07 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3mqw h SER 53 Cb 0.89 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 3mqw h SER 53 CO 0.08 0.50 0.43 0.11 -1.14 0.00 0.00 176.83 176.81 3mqw h LYS 54 N 0.39 0.81 -0.35 3.45 1.57 -1.36 -2.04 116.57 119.03 3mqw h LYS 54 Ca 0.11 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3mqw h LYS 54 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3mqw h LYS 54 CO -0.01 0.54 -0.28 0.37 -0.57 0.00 0.00 179.45 179.49 3mqw h GLN 55 N 0.83 0.75 -0.24 3.15 5.75 -1.09 -2.05 115.11 122.21 3mqw h GLN 55 Ca 0.29 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3mqw h GLN 55 Cb 0.05 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3mqw h GLN 55 CO -0.12 0.94 0.16 0.28 -2.65 0.00 0.00 178.83 177.44 3mqw h VAL 56 N 0.64 1.07 -0.66 2.39 2.07 -0.74 0.58 116.25 121.59 3mqw h VAL 56 Ca 0.08 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3mqw h VAL 56 Cb 0.80 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3mqw h VAL 56 CO 0.07 0.07 0.20 0.24 0.02 0.00 0.00 177.57 178.17 3mqw h MET 57 N 0.32 1.01 -0.35 1.57 2.86 -1.19 -0.89 114.93 118.27 3mqw h MET 57 Ca 0.09 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3mqw h MET 57 Cb -0.02 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3mqw h MET 57 CO -0.02 0.87 0.11 1.15 1.06 0.00 0.00 176.91 180.09 3mqw h THR 58 N 0.98 1.21 -0.47 2.22 2.02 -1.08 -1.96 112.91 115.82 3mqw h THR 58 Ca 0.22 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3mqw h THR 58 Cb 0.29 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3mqw h THR 58 CO -0.01 0.23 0.26 0.78 0.37 0.00 0.00 175.52 177.16 3mqw h ASN 59 N 0.42 0.40 -0.43 4.18 2.35 -0.54 -0.92 115.58 121.04 3mqw h ASN 59 Ca 0.11 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3mqw h ASN 59 Cb 0.25 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3mqw h ASN 59 CO -0.00 0.29 0.22 -0.07 -1.65 0.00 0.00 177.43 176.21 3mqw h LEU 60 N 0.52 0.31 -0.57 1.61 3.38 -1.07 -1.53 115.31 117.96 3mqw h LEU 60 Ca 0.20 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3mqw h LEU 60 Cb 0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3mqw h LEU 60 CO -0.11 0.22 0.31 0.50 0.09 0.00 0.00 178.44 179.46 3mqw h LYS 61 N 0.43 0.58 -0.54 1.13 3.64 -0.98 -0.30 116.57 120.55 3mqw h LYS 61 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3mqw h LYS 61 Cb 0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3mqw h LYS 61 CO -0.13 0.39 0.34 1.88 -2.27 0.00 0.00 179.45 179.66 3mqw h TYR 62 N 0.60 0.69 -0.28 1.91 0.05 -0.71 -0.56 116.97 118.68 3mqw h TYR 62 Ca 0.25 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 3mqw h TYR 62 Cb 0.12 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3mqw h TYR 62 CO -0.08 0.46 0.14 0.28 -1.05 0.00 0.00 178.16 177.90 3mqw h VAL 63 N 0.72 1.14 -0.38 -2.88 2.07 -0.90 -1.11 116.25 114.92 3mqw h VAL 63 Ca 0.19 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3mqw h VAL 63 Cb -0.05 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3mqw h VAL 63 CO -0.04 0.15 0.22 -0.07 0.02 0.00 0.00 177.57 177.85 3mqw h LEU 64 N 0.32 0.47 -0.74 2.57 3.38 -0.87 -1.77 115.31 118.66 3mqw h LEU 64 Ca 0.10 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3mqw h LEU 64 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3mqw h LEU 64 CO -0.01 0.40 -0.25 -0.33 0.09 0.00 0.00 178.44 178.34 3mqw h GLU 65 N 0.49 0.68 -0.87 1.13 5.08 -1.02 0.83 114.58 120.91 3mqw h GLU 65 Ca 0.14 -0.28 0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3mqw h GLU 65 Cb 0.03 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 3mqw h GLU 65 CO -0.02 0.87 0.53 1.49 -1.00 0.00 0.00 179.01 180.88 3mqw h GLU 66 N 0.59 0.91 0.00 2.33 4.57 -0.94 -2.17 114.58 119.88 3mqw h GLU 66 Ca 0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3mqw h GLU 66 Cb 0.74 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3mqw h GLU 66 CO 0.06 0.60 0.00 0.00 -1.18 0.00 0.00 179.01 178.49 3mqw h ALA 67 N 1.43 1.00 0.00 2.92 0.00 -0.90 -3.46 119.26 120.25 3mqw h ALA 67 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3mqw h ALA 67 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mqw h ALA 67 CO -0.20 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3mqw n GLY 68 N -0.13 0.85 0.00 0.00 0.00 -0.81 -5.00 105.19 100.09 3mqw n GLY 68 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.09 0.41 -3.62 1.61 2.88 0.25 -4.78 113.62 110.46 3mqw n SER 69 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3mqw n SER 69 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.27 -0.22 0.32 -3.46 1.04 -1.26 -3.88 113.70 105.97 3mqw s SER 70 Ca 0.00 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3mqw s SER 70 Cb 0.00 0.34 0.64 0.00 0.10 0.00 0.00 66.02 67.10 3mqw s SER 70 CO 0.00 -0.59 1.89 0.24 0.98 0.00 0.00 173.24 175.76 3mqw h MET 71 N 2.00 0.87 0.00 4.02 2.86 -1.94 -1.70 114.93 121.04 3mqw h MET 71 Ca -0.22 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3mqw h MET 71 Cb 1.22 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3mqw h MET 71 CO 0.27 0.58 0.00 -0.44 1.06 0.00 0.00 176.91 178.38 3mqw h ASP 72 N 0.90 0.00 -0.52 1.22 3.32 -1.95 -2.24 116.42 117.14 3mqw h ASP 72 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3mqw h ASP 72 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3mqw h ASP 72 CO -0.18 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.63 3mqw n LYS 73 N -2.39 2.58 -2.27 3.56 5.02 -0.65 -4.96 118.16 119.06 3mqw n LYS 73 Ca 0.01 -2.39 -0.42 0.00 -2.02 0.00 0.00 58.31 53.49 3mqw n LYS 73 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.19 3.61 -0.21 -0.18 1.01 -0.85 -1.43 120.40 121.16 3mqw s VAL 74 Ca 0.40 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 3mqw s VAL 74 Cb 0.22 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.67 3mqw s VAL 74 CO 0.30 0.08 -0.01 0.52 0.00 0.00 0.00 175.10 175.99 3mqw n VAL 75 N 3.99 1.60 -3.74 2.92 0.31 -0.24 -4.50 118.33 118.67 3mqw n VAL 75 Ca 0.11 -0.53 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 3mqw n VAL 75 Cb 0.44 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.52 0.48 0.24 5.55 2.47 -1.07 -1.26 119.74 123.62 3mqw s LYS 76 Ca -0.31 0.47 0.08 0.00 -1.56 0.00 0.00 55.97 54.65 3mqw s LYS 76 Cb 0.09 0.23 -0.05 0.00 -1.46 0.00 0.00 37.83 36.64 3mqw s LYS 76 CO 0.64 -0.07 -0.12 0.95 0.16 0.00 0.00 175.35 176.91 3mqw s THR 77 N 0.05 1.77 -0.07 3.43 -4.23 -0.29 -1.18 115.64 115.13 3mqw s THR 77 Ca -0.01 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.31 3mqw s THR 77 Cb -0.03 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.63 3mqw s THR 77 CO 0.01 -0.48 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.62 3mqw s THR 78 N -2.95 1.00 -0.16 3.99 2.01 -0.73 -1.92 115.64 116.89 3mqw s THR 78 Ca 0.25 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3mqw s THR 78 Cb 0.00 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.59 3mqw s THR 78 CO 0.09 0.33 -0.20 0.00 -0.69 0.00 0.00 174.62 174.15 3mqw s LEU 80 N 0.98 2.52 0.06 0.00 1.02 0.41 -1.79 118.68 121.88 3mqw s LEU 80 Ca -0.03 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 53.86 3mqw s LEU 80 Cb -0.15 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 3mqw s LEU 80 CO -0.05 0.24 -0.23 -0.76 0.02 0.00 0.00 176.35 175.57 3mqw s LEU 81 N -0.13 2.20 0.46 1.79 1.43 -0.62 -0.82 118.68 122.98 3mqw s LEU 81 Ca -0.02 -0.59 0.25 0.00 -1.03 0.00 0.00 54.13 52.74 3mqw s LEU 81 Cb -0.14 -1.09 1.05 0.00 0.03 0.00 0.00 46.19 46.04 3mqw s LEU 81 CO 0.04 0.18 1.88 0.00 0.23 0.00 0.00 176.35 178.68 3mqw h ALA 82 N 4.65 1.06 -2.78 4.21 0.00 -1.38 0.90 119.26 125.93 3mqw h ALA 82 Ca -0.45 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 3mqw h ALA 82 Cb 1.16 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.61 3mqw h ALA 82 CO 0.43 0.24 -0.47 0.34 0.00 0.00 0.00 179.25 179.79 3mqw s ASP 83 N -6.14 0.07 0.65 0.00 -1.08 -1.26 -4.73 116.67 104.18 3mqw s ASP 83 Ca -0.00 0.71 0.39 0.00 -0.52 0.00 0.00 52.55 53.13 3mqw s ASP 83 Cb 0.11 0.83 2.20 0.00 -1.46 0.00 0.00 42.92 44.59 3mqw s ASP 83 CO 0.62 -0.23 2.29 -0.29 0.52 0.00 0.00 175.17 178.09 3mqw h ILE 84 N 6.16 0.13 0.00 4.11 6.09 -1.94 -0.91 117.51 131.15 3mqw h ILE 84 Ca -0.19 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3mqw h ILE 84 Cb 1.12 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.37 3mqw h ILE 84 CO 0.17 0.00 -0.01 0.11 -3.07 0.00 0.00 178.15 175.35 3mqw h LYS 85 N 0.00 0.00 -0.00 2.19 6.56 -2.00 -2.11 116.57 121.21 3mqw h LYS 85 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3mqw h LYS 85 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3mqw h LYS 85 CO -0.00 0.01 -0.09 -0.25 -2.06 0.00 0.00 179.45 177.06 3mqw n ASP 86 N -3.58 0.48 -0.12 0.86 8.00 -0.35 -4.32 116.55 117.52 3mqw n ASP 86 Ca -0.03 -0.65 -0.05 0.00 0.71 0.00 0.00 54.79 54.78 3mqw n ASP 86 Cb 0.10 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.61 -0.04 -0.50 1.24 3.57 -1.55 -0.75 116.94 119.52 3mqw h PHE 87 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3mqw h PHE 87 Cb 0.33 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3mqw h PHE 87 CO 0.00 -0.09 0.31 0.78 -2.23 0.00 0.00 178.31 177.09 3mqw h GLY 88 N 0.09 0.71 0.95 2.40 0.00 -1.83 0.13 103.07 105.52 3mqw h GLY 88 Ca 0.19 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3mqw h GLY 88 CO -0.33 0.28 -0.21 -2.08 0.00 0.00 0.00 176.54 174.19 3mqw h VAL 89 N 0.67 1.30 -0.35 4.60 2.07 -1.80 -2.54 116.25 120.19 3mqw h VAL 89 Ca 0.18 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3mqw h VAL 89 Cb -0.04 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3mqw h VAL 89 CO -0.04 0.43 0.19 0.15 0.02 0.00 0.00 177.57 178.32 3mqw h PHE 90 N 0.43 0.34 -0.73 1.57 3.57 -0.93 -2.86 116.94 118.34 3mqw h PHE 90 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3mqw h PHE 90 Cb 0.76 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3mqw h PHE 90 CO 0.07 0.19 0.48 -0.97 -2.23 0.00 0.00 178.31 175.85 3mqw h ASN 91 N 0.38 0.85 -0.62 0.41 -1.24 -0.65 0.98 115.58 115.69 3mqw h ASN 91 Ca 0.15 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 3mqw h ASN 91 Cb 0.04 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 3mqw h ASN 91 CO -0.09 0.62 0.24 1.23 -1.29 0.00 0.00 177.43 178.13 3mqw h GLY 92 N 1.00 1.04 1.07 1.57 0.00 -1.24 0.51 103.07 107.02 3mqw h GLY 92 Ca 0.27 -0.56 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 3mqw h GLY 92 CO -0.06 0.53 -0.85 -2.22 0.00 0.00 0.00 176.54 173.94 3mqw h ILE 93 N 0.95 1.32 -0.14 2.60 2.04 -1.15 -2.16 117.51 120.97 3mqw h ILE 93 Ca 0.22 -2.13 0.02 0.00 1.00 0.00 0.00 64.86 63.97 3mqw h ILE 93 Cb 0.21 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3mqw h ILE 93 CO -0.02 0.65 0.02 0.22 0.00 0.00 0.00 178.15 179.02 3mqw h TYR 94 N 0.27 0.03 -0.68 1.37 3.20 -0.70 -1.60 116.97 118.85 3mqw h TYR 94 Ca -0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 3mqw h TYR 94 Cb 1.52 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 3mqw h TYR 94 CO 0.11 0.01 0.38 0.00 -1.64 0.00 0.00 178.16 177.02 3mqw h ALA 95 N 1.11 0.87 -0.53 1.82 0.00 -0.90 -2.22 119.26 119.41 3mqw h ALA 95 Ca 0.06 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mqw h ALA 95 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3mqw h ALA 95 CO -0.09 0.38 0.23 1.49 0.00 0.00 0.00 179.25 181.26 3mqw h GLU 96 N 0.93 0.43 -0.72 0.00 4.81 -1.21 -0.12 114.58 118.70 3mqw h GLU 96 Ca 0.24 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3mqw h GLU 96 Cb 0.02 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3mqw h GLU 96 CO -0.04 0.28 0.29 0.00 -0.73 0.00 0.00 179.01 178.81 3mqw h ALA 97 N 1.32 1.15 0.00 2.92 0.00 -0.97 -3.01 119.26 120.68 3mqw h ALA 97 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mqw h ALA 97 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mqw h ALA 97 CO -0.21 0.61 -0.28 0.74 0.00 0.00 0.00 179.25 180.11 3mqw h PHE 98 N 1.04 0.00 0.00 0.00 0.04 -1.14 -3.50 116.94 113.38 3mqw h PHE 98 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3mqw h PHE 98 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3mqw h PHE 98 CO 0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 3mqw n GLY 99 N 1.21 3.80 0.03 -1.45 0.00 -0.08 -1.60 105.19 107.10 3mqw n GLY 99 Ca 0.04 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 7.07 0.24 -4.73 1.61 3.02 -1.26 -4.87 115.26 116.35 3mqw n ASN 100 Ca 0.00 0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 54.59 3mqw n ASN 100 Cb 0.00 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.64 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 -3.03 3.77 -0.58 3.10 2.46 -0.63 -5.02 115.29 115.36 3mqw s HIS 101 Ca 0.13 1.75 0.04 0.00 0.47 0.00 0.00 55.06 57.45 3mqw s HIS 101 Cb 0.17 -3.11 0.16 0.00 -0.13 0.00 0.00 32.58 29.67 3mqw s HIS 101 CO 0.56 -0.00 0.40 0.15 -2.47 0.00 0.00 174.74 173.38 3mqw s LYS 102 N -0.19 1.89 0.94 2.88 1.02 -1.26 -4.81 119.74 120.21 3mqw s LYS 102 Ca 0.47 -2.81 -0.11 0.00 0.02 0.00 0.00 55.97 53.55 3mqw s LYS 102 Cb -0.25 -2.79 0.16 0.00 -0.52 0.00 0.00 37.83 34.42 3mqw s LYS 102 CO 0.31 -1.28 1.11 -2.14 -0.92 0.00 0.00 175.35 172.44 3mqw s PRO 103 N -0.75 0.85 0.76 -1.68 0.02 -1.26 -5.00 135.00 127.94 3mqw s PRO 103 Ca 0.25 1.30 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 3mqw s PRO 103 Cb -0.07 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.78 3mqw s PRO 103 CO -0.14 -2.67 1.14 0.00 -0.33 0.00 0.00 177.00 175.01 3mqw s ALA 104 N -2.68 2.11 -0.15 -1.55 0.00 -0.39 -4.90 121.76 114.21 3mqw s ALA 104 Ca 0.66 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 3mqw s ALA 104 Cb -0.22 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3mqw s ALA 104 CO 0.59 -1.88 0.49 0.50 0.00 0.00 0.00 175.76 175.45 3mqw s ARG 105 N -4.38 0.64 0.05 0.00 3.52 -1.26 -1.14 118.95 116.39 3mqw s ARG 105 Ca 0.67 0.51 0.06 0.00 -0.13 0.00 0.00 55.73 56.85 3mqw s ARG 105 Cb -0.22 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.45 3mqw s ARG 105 CO 0.50 -0.11 -0.18 0.00 -0.81 0.00 0.00 175.30 174.69 3mqw s ALA 106 N -0.12 1.55 0.03 6.12 0.00 -0.81 -4.97 121.76 123.56 3mqw s ALA 106 Ca -0.03 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3mqw s ALA 106 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3mqw s ALA 106 CO 0.02 0.33 -0.08 0.00 0.00 0.00 0.00 175.76 176.03 3mqw s PHE 108 N -1.07 -0.28 -0.15 0.00 -0.12 -0.74 -4.96 117.98 110.66 3mqw s PHE 108 Ca -0.06 -0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.67 3mqw s PHE 108 Cb -0.08 0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 3mqw s PHE 108 CO 0.01 -0.98 0.20 0.00 -0.05 0.00 0.00 175.22 174.39 3mqw s ALA 109 N -3.66 3.72 0.55 1.99 0.00 -1.26 -1.59 121.76 121.51 3mqw s ALA 109 Ca 0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3mqw s ALA 109 Cb -0.03 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3mqw s ALA 109 CO -0.01 0.30 0.84 0.00 0.00 0.00 0.00 175.76 176.89 3mqw s ALA 110 N -0.12 3.42 0.28 0.00 0.00 0.31 -4.90 121.76 120.75 3mqw s ALA 110 Ca 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3mqw s ALA 110 Cb -0.12 -2.49 0.39 0.00 0.00 0.00 0.00 23.12 20.90 3mqw s ALA 110 CO 0.02 -0.67 1.83 0.00 0.00 0.00 0.00 175.76 176.94 3mqw h ALA 111 N -0.02 1.22 -2.13 0.00 0.00 -1.89 -3.43 119.26 113.01 3mqw h ALA 111 Ca -0.46 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.34 3mqw h ALA 111 Cb 1.25 -0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 3mqw h ALA 111 CO 0.60 0.54 0.46 0.00 0.00 0.00 0.00 179.25 180.86 3mqw s ALA 112 N -5.25 -1.83 0.30 0.00 0.00 -1.26 -5.04 121.76 108.68 3mqw s ALA 112 Ca -0.10 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.12 3mqw s ALA 112 Cb 0.16 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 3mqw s ALA 112 CO 0.80 -0.58 -0.15 -0.51 0.00 0.00 0.00 175.76 175.32 3mqw s LEU 113 N -2.06 2.68 0.37 0.00 1.43 -1.26 -5.05 118.68 114.78 3mqw s LEU 113 Ca 0.02 -1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 51.79 3mqw s LEU 113 Cb -0.01 -1.12 -0.12 0.00 0.03 0.00 0.00 46.19 44.98 3mqw s LEU 113 CO -0.05 -0.04 1.26 -2.65 0.23 0.00 0.00 176.35 175.10 3mqw n PRO 114 N -0.70 2.01 -1.39 1.29 -0.02 -1.26 -2.29 135.00 132.65 3mqw n PRO 114 Ca -0.05 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3mqw n PRO 114 Cb 0.61 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.40 -1.32 -1.38 -0.52 5.02 -1.26 -1.42 118.16 117.67 3mqw n LYS 115 Ca 0.06 0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 57.19 3mqw n LYS 115 Cb 0.37 -5.19 -0.04 0.00 -0.02 0.00 0.00 35.03 30.14 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 -0.55 1.12 3.66 0.72 0.00 -0.97 -4.99 105.19 104.17 3mqw n GLY 116 Ca -0.13 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 0.99 0.66 0.73 4.61 0.00 -0.51 -4.92 120.51 122.07 3mqw n ALA 117 Ca -0.11 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3mqw n ALA 117 Cb 0.37 -2.19 0.19 0.00 0.00 0.00 0.00 19.45 17.82 3mqw n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mqw n LEU 118 N -0.78 0.60 -3.63 0.00 4.77 -1.26 -4.40 117.00 112.30 3mqw n LEU 118 Ca 0.12 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3mqw n LEU 118 Cb 0.46 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3mqw n LEU 118 CO 0.51 0.02 0.46 0.54 -1.33 0.00 0.00 177.39 177.59 3mqw s VAL 119 N -3.11 0.00 -0.02 4.08 0.11 -1.26 -1.16 120.40 119.04 3mqw s VAL 119 Ca 0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 3mqw s VAL 119 Cb 0.15 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3mqw s VAL 119 CO 0.72 0.00 0.00 -0.70 -3.33 0.00 0.00 175.10 171.80 3mqw s GLU 120 N 0.54 0.18 -0.09 1.54 2.12 -0.01 -4.28 118.70 118.71 3mqw s GLU 120 Ca -0.01 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.41 3mqw s GLU 120 Cb -0.05 -0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.01 3mqw s GLU 120 CO -0.03 -0.11 -0.11 0.08 -0.54 0.00 0.00 175.26 174.56 3mqw s VAL 121 N 0.80 1.13 0.38 3.70 1.01 -0.66 -0.44 120.40 126.32 3mqw s VAL 121 Ca -0.08 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3mqw s VAL 121 Cb -0.11 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3mqw s VAL 121 CO -0.02 0.37 0.12 -1.83 0.00 0.00 0.00 175.10 173.74 3mqw s GLU 122 N 1.08 2.19 0.19 2.72 -1.05 -0.75 -0.42 118.70 122.66 3mqw s GLU 122 Ca -0.06 -1.80 -0.23 0.00 -0.15 0.00 0.00 54.97 52.73 3mqw s GLU 122 Cb -0.14 -1.97 0.05 0.00 -0.44 0.00 0.00 34.13 31.63 3mqw s GLU 122 CO -0.01 -0.01 0.76 0.00 0.95 0.00 0.00 175.26 176.94 3mqw s ILE 124 N -3.65 1.91 0.15 0.00 1.01 -0.32 -0.57 121.20 119.72 3mqw s ILE 124 Ca 0.08 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3mqw s ILE 124 Cb -0.03 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3mqw s ILE 124 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 174.94 175.57 3mqw s ALA 125 N -0.42 0.79 0.13 9.38 0.00 -0.03 -1.08 121.76 130.52 3mqw s ALA 125 Ca 0.05 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.63 3mqw s ALA 125 Cb -0.11 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3mqw s ALA 125 CO 0.00 -0.53 0.06 -0.08 0.00 0.00 0.00 175.76 175.21 3mqw s THR 126 N -4.06 4.21 -2.00 0.00 -1.32 -0.51 -0.04 115.64 111.92 3mqw s THR 126 Ca 0.26 -1.05 0.12 0.00 -1.21 0.00 0.00 61.69 59.81 3mqw s THR 126 Cb 0.07 -3.07 0.35 0.00 -1.51 0.00 0.00 72.50 68.33 3mqw s THR 126 CO 0.04 0.01 1.16 0.18 -2.21 0.00 0.00 174.62 173.79