#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s GLY -11 N 0.00 -0.36 0.54 -5.12 0.00 -1.25 -4.84 107.32 96.29 3mqw s GLY -11 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 44.72 45.56 3mqw s GLY -11 CO 0.00 0.28 1.08 -0.51 0.00 0.00 0.00 173.10 173.95 3mqw s THR -10 N -2.49 3.54 -0.01 0.90 -4.23 -1.15 -4.42 115.64 107.79 3mqw s THR -10 Ca 0.12 0.88 0.04 0.00 -1.18 0.00 0.00 61.69 61.55 3mqw s THR -10 Cb 0.02 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 3mqw s THR -10 CO -0.04 -0.28 -0.12 -0.76 -0.54 0.00 0.00 174.62 172.88 3mqw s LEU -9 N -3.94 1.99 -1.37 4.79 1.02 -0.83 -4.80 118.68 115.52 3mqw s LEU -9 Ca 0.68 -0.22 -0.12 0.00 0.02 0.00 0.00 54.13 54.49 3mqw s LEU -9 Cb -0.19 -0.61 0.10 0.00 0.02 0.00 0.00 46.19 45.51 3mqw s LEU -9 CO 0.28 0.13 0.57 -1.84 0.02 0.00 0.00 176.35 175.51 3mqw n GLU -8 N 2.87 -3.19 -3.15 1.70 -0.00 -1.26 -2.05 120.64 115.57 3mqw n GLU -8 Ca -0.15 0.40 -0.19 0.00 -0.00 0.00 0.00 57.16 57.23 3mqw n GLU -8 Cb 0.56 -5.10 0.05 0.00 -0.00 0.00 0.00 31.44 26.94 3mqw n GLU -8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mqw n ALA -7 N -3.76 -0.93 -3.00 -1.84 0.00 -1.26 -5.01 120.51 104.71 3mqw n ALA -7 Ca 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 3mqw n ALA -7 Cb 0.52 -3.96 -0.12 0.00 0.00 0.00 0.00 19.45 15.89 3mqw n ALA -7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3mqw s GLN -6 N -5.79 0.26 0.69 0.00 0.74 -0.87 -5.15 119.66 109.54 3mqw s GLN -6 Ca 0.37 -0.21 -0.15 0.00 0.05 0.00 0.00 55.36 55.41 3mqw s GLN -6 Cb -0.16 0.11 0.02 0.00 1.10 0.00 0.00 33.01 34.07 3mqw s GLN -6 CO 0.46 -0.05 1.16 0.95 -0.55 0.00 0.00 175.29 177.26 3mqw s THR -5 N -0.73 2.74 -0.32 -0.34 -4.23 -1.26 -1.97 115.64 109.52 3mqw s THR -5 Ca -0.08 0.36 0.14 0.00 -1.18 0.00 0.00 61.69 60.93 3mqw s THR -5 Cb -0.05 -2.91 0.47 0.00 1.34 0.00 0.00 72.50 71.35 3mqw s THR -5 CO 0.00 -0.20 1.08 0.00 -0.54 0.00 0.00 174.62 174.97 3mqw n GLN -4 N -2.51 2.36 0.00 3.99 1.13 -1.26 -4.82 117.38 116.26 3mqw n GLN -4 Ca 0.12 -3.80 0.00 0.00 -1.94 0.00 0.00 57.00 51.38 3mqw n GLN -4 Cb 0.51 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.45 2.56 3.69 1.08 0.00 -1.26 -4.68 105.19 106.13 3mqw n GLY -3 Ca 0.23 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.91 4.20 0.00 1.61 0.02 -1.26 -1.62 135.00 135.04 3mqw s PRO -2 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3mqw s PRO -2 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3mqw s PRO -2 CO 0.00 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3mqw n GLY -1 N 3.97 1.74 0.23 0.52 0.00 -1.26 -4.94 105.19 105.45 3mqw n GLY -1 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 0.90 0.00 -3.81 1.61 4.64 -1.58 -3.44 113.55 111.87 3mqw h SER 0 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3mqw h SER 0 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 3mqw h SER 0 CO 0.00 0.00 -0.75 -0.32 -0.87 0.00 0.00 176.83 174.89 3mqw s MET 1 N -3.52 0.36 0.24 4.77 0.00 -1.26 -2.94 119.30 116.95 3mqw s MET 1 Ca 0.03 -0.12 -0.16 0.00 0.00 0.00 0.00 55.69 55.43 3mqw s MET 1 Cb 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 34.83 34.56 3mqw s MET 1 CO 0.52 0.06 0.55 0.45 0.00 0.00 0.00 175.02 176.60 3mqw s SER 2 N 0.08 -0.18 0.20 1.11 0.15 -1.26 -5.05 113.70 108.75 3mqw s SER 2 Ca -0.00 -0.72 -0.13 0.00 0.70 0.00 0.00 55.95 55.79 3mqw s SER 2 Cb -0.04 0.62 0.23 0.00 -1.71 0.00 0.00 66.02 65.13 3mqw s SER 2 CO -0.00 -1.17 1.64 0.50 1.20 0.00 0.00 173.24 175.41 3mqw h LYS 3 N 2.17 0.03 -5.29 5.44 3.64 -2.01 -3.38 116.57 117.18 3mqw h LYS 3 Ca -0.25 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.49 3mqw h LYS 3 Cb 1.25 -0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.85 3mqw h LYS 3 CO 0.33 0.02 -0.66 -0.51 -2.27 0.00 0.00 179.45 176.35 3mqw s LEU 4 N -10.77 3.26 -0.14 5.20 1.43 -1.26 -4.36 118.68 112.04 3mqw s LEU 4 Ca -0.14 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3mqw s LEU 4 Cb 0.18 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 3mqw s LEU 4 CO 0.73 0.16 -0.17 -0.89 0.23 0.00 0.00 176.35 176.42 3mqw s THR 5 N 0.40 2.60 -0.00 5.49 2.01 -0.74 -4.95 115.64 120.45 3mqw s THR 5 Ca -0.04 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 3mqw s THR 5 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3mqw s THR 5 CO 0.03 0.53 0.93 -0.69 -0.69 0.00 0.00 174.62 174.72 3mqw s VAL 6 N 0.67 4.87 -0.22 3.82 1.01 -1.26 -0.90 120.40 128.40 3mqw s VAL 6 Ca -0.08 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.74 3mqw s VAL 6 Cb -0.16 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3mqw s VAL 6 CO 0.02 0.19 0.18 -0.69 0.00 0.00 0.00 175.10 174.80 3mqw s VAL 7 N 0.89 5.36 -0.36 2.92 1.01 -0.46 -4.97 120.40 124.79 3mqw s VAL 7 Ca 0.49 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.73 3mqw s VAL 7 Cb -0.21 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.80 3mqw s VAL 7 CO 0.26 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.97 3mqw s ALA 8 N 0.78 1.01 -0.11 5.51 0.00 -1.26 -3.72 121.76 123.97 3mqw s ALA 8 Ca 0.09 -1.96 -0.28 0.00 0.00 0.00 0.00 51.96 49.81 3mqw s ALA 8 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 3mqw s ALA 8 CO 0.02 -2.09 0.93 0.45 0.00 0.00 0.00 175.76 175.07 3mqw s SER 9 N 0.90 7.16 0.00 0.00 0.15 -1.26 -4.91 113.70 115.73 3mqw s SER 9 Ca 0.21 1.42 0.19 0.00 0.70 0.00 0.00 55.95 58.46 3mqw s SER 9 Cb -0.18 -2.52 1.07 0.00 -1.71 0.00 0.00 66.02 62.68 3mqw s SER 9 CO -0.03 -0.38 1.54 -0.81 1.20 0.00 0.00 173.24 174.77 3mqw n PRO 10 N 4.80 0.49 -0.01 5.44 -0.04 -1.26 -2.96 135.00 141.46 3mqw n PRO 10 Ca 0.06 0.04 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 3mqw n PRO 10 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.09 0.37 -4.95 1.53 4.77 -1.26 -4.96 117.00 111.41 3mqw n LEU 11 Ca 0.12 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 3mqw n LEU 11 Cb 0.09 0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3mqw n LEU 11 CO 0.12 0.19 0.26 0.00 -1.33 0.00 0.00 177.39 176.63 3mqw s ALA 12 N -2.99 3.75 0.37 -1.18 0.00 -1.16 -4.44 121.76 116.12 3mqw s ALA 12 Ca -0.06 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 3mqw s ALA 12 Cb 0.09 -2.13 -0.11 0.00 0.00 0.00 0.00 23.12 20.97 3mqw s ALA 12 CO 0.84 -0.31 1.25 -2.30 0.00 0.00 0.00 175.76 175.24 3mqw n PRO 13 N -2.03 1.98 -2.26 0.00 -0.02 -1.26 -4.74 135.00 126.68 3mqw n PRO 13 Ca 0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3mqw n PRO 13 Cb 0.57 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.98 4.43 -0.75 -0.52 2.12 -1.26 -4.94 118.70 115.79 3mqw s GLU 14 Ca 0.58 2.02 -0.23 0.00 0.36 0.00 0.00 54.97 57.69 3mqw s GLU 14 Cb -0.55 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 30.71 3mqw s GLU 14 CO 0.60 -0.17 1.12 0.00 -0.54 0.00 0.00 175.26 176.27 3mqw s ALA 15 N -0.17 2.99 -0.12 6.30 0.00 -1.26 -4.85 121.76 124.66 3mqw s ALA 15 Ca 0.54 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 3mqw s ALA 15 Cb -0.36 -4.07 -0.26 0.00 0.00 0.00 0.00 23.12 18.44 3mqw s ALA 15 CO 0.40 -3.03 0.50 0.28 0.00 0.00 0.00 175.76 173.91 3mqw h VAL 16 N 6.06 1.00 -0.07 0.00 2.07 -1.92 -3.47 116.25 119.91 3mqw h VAL 16 Ca -0.19 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3mqw h VAL 16 Cb 1.05 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3mqw h VAL 16 CO 1.23 0.68 0.00 0.61 0.02 0.00 0.00 177.57 180.10 3mqw n GLY 17 N 1.73 1.00 2.21 2.17 0.00 -1.26 -4.87 105.19 106.16 3mqw n GLY 17 Ca -0.26 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 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 5.97 -3.34 4.61 0.00 -1.26 -4.81 120.51 118.68 3mqw n ALA 18 Ca 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 53.44 51.00 3mqw n ALA 18 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.26 0.10 0.17 0.00 -0.85 -1.26 -5.17 117.35 109.07 3mqw s TYR 19 Ca 0.50 -0.48 0.11 0.00 -0.52 0.00 0.00 57.07 56.68 3mqw s TYR 19 Cb 0.32 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 3mqw s TYR 19 CO -0.12 -1.01 -0.23 -1.12 -1.52 0.00 0.00 175.55 171.55 3mqw s SER 20 N -2.95 3.22 0.25 -0.18 0.01 -1.26 -4.69 113.70 108.10 3mqw s SER 20 Ca 0.16 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.56 3mqw s SER 20 Cb -0.02 -0.22 0.47 0.00 0.21 0.00 0.00 66.02 66.46 3mqw s SER 20 CO 0.04 0.10 1.78 1.56 0.41 0.00 0.00 173.24 177.14 3mqw h GLN 21 N 3.40 0.67 -2.83 12.44 4.20 -1.93 -3.41 115.11 127.66 3mqw h GLN 21 Ca -0.46 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.22 3mqw h GLN 21 Cb 1.20 -0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.70 3mqw h GLN 21 CO 0.46 0.45 0.28 0.00 -0.67 0.00 0.00 178.83 179.34 3mqw s ALA 22 N -6.00 -1.65 -0.06 3.87 0.00 -1.25 -1.04 121.76 115.64 3mqw s ALA 22 Ca -0.12 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.47 3mqw s ALA 22 Cb 0.21 0.78 0.01 0.00 0.00 0.00 0.00 23.12 24.11 3mqw s ALA 22 CO 0.78 -0.75 -0.14 0.42 0.00 0.00 0.00 175.76 176.06 3mqw s ILE 23 N -3.61 1.25 -0.15 0.00 -1.09 -0.37 -1.35 121.20 115.88 3mqw s ILE 23 Ca 0.02 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 3mqw s ILE 23 Cb -0.01 -1.11 -0.05 0.00 -1.58 0.00 0.00 42.46 39.72 3mqw s ILE 23 CO -0.12 0.37 0.23 -0.63 -1.23 0.00 0.00 174.94 173.57 3mqw s ILE 24 N 0.38 5.34 -0.10 2.92 1.01 -0.07 -0.57 121.20 130.10 3mqw s ILE 24 Ca -0.10 0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 3mqw s ILE 24 Cb -0.14 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.83 3mqw s ILE 24 CO 0.03 0.45 0.22 0.00 0.00 0.00 0.00 174.94 175.65 3mqw n ASN 26 N 4.69 -2.47 0.00 0.00 3.02 -1.26 -1.73 115.26 117.50 3mqw n ASN 26 Ca -0.17 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3mqw n ASN 26 Cb 0.51 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 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 -1.69 0.72 3.36 7.41 0.00 -1.26 -5.02 105.19 108.71 3mqw n GLY 27 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 1.48 -0.22 1.61 -1.94 -0.70 -1.88 119.30 117.57 3mqw s MET 28 Ca 0.00 -1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 52.70 3mqw s MET 28 Cb 0.00 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.98 3mqw s MET 28 CO 0.00 0.45 -0.03 0.08 -0.01 0.00 0.00 175.02 175.51 3mqw s VAL 29 N -0.98 3.52 -0.39 -6.03 1.01 0.97 -0.64 120.40 117.85 3mqw s VAL 29 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3mqw s VAL 29 Cb -0.10 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3mqw s VAL 29 CO 0.04 0.41 0.23 -0.31 0.00 0.00 0.00 175.10 175.48 3mqw s TYR 30 N 1.44 3.26 -0.12 5.22 2.02 0.26 -1.17 117.35 128.26 3mqw s TYR 30 Ca 0.05 -1.05 -0.10 0.00 -0.37 0.00 0.00 57.07 55.60 3mqw s TYR 30 Cb -0.14 -2.58 -0.05 0.00 -0.40 0.00 0.00 41.96 38.80 3mqw s TYR 30 CO -0.02 -0.69 0.21 0.00 -1.57 0.00 0.00 175.55 173.48 3mqw n SER 32 N 2.45 -0.00 -4.59 0.00 7.64 -0.21 -3.34 113.62 115.58 3mqw n SER 32 Ca -0.17 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.65 3mqw n SER 32 Cb 0.54 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 3mqw n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mqw s GLY 33 N -2.58 0.89 0.34 0.23 0.00 -1.26 -4.42 107.32 100.51 3mqw s GLY 33 Ca 0.66 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.84 3mqw s GLY 33 CO 0.59 2.95 1.22 1.20 0.00 0.00 0.00 173.10 179.06 3mqw s GLN 34 N 5.46 4.35 0.41 2.90 -1.52 0.05 -4.72 119.66 126.58 3mqw s GLN 34 Ca 0.63 2.03 0.07 0.00 -1.95 0.00 0.00 55.36 56.14 3mqw s GLN 34 Cb -0.14 -3.01 -0.08 0.00 -0.22 0.00 0.00 33.01 29.56 3mqw s GLN 34 CO 0.30 -0.13 0.01 0.96 -0.25 0.00 0.00 175.29 176.18 3mqw s ILE 35 N -1.21 1.92 -0.04 1.08 -4.36 -1.26 -1.41 121.20 115.91 3mqw s ILE 35 Ca 0.50 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.88 3mqw s ILE 35 Cb -0.36 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.41 3mqw s ILE 35 CO 0.47 0.00 2.05 0.61 0.24 0.00 0.00 174.94 178.31 3mqw n GLY 36 N -0.96 2.73 3.81 6.27 0.00 -1.26 -4.53 105.19 111.26 3mqw n GLY 36 Ca -0.05 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.24 4.31 -0.34 0.99 1.43 -1.26 -1.06 118.68 122.51 3mqw s LEU 37 Ca 0.06 1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 54.55 3mqw s LEU 37 Cb 0.04 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.54 3mqw s LEU 37 CO -0.00 -0.02 0.17 -0.62 0.23 0.00 0.00 176.35 176.11 3mqw s ASP 38 N -1.71 5.60 0.42 2.29 -1.08 0.35 -4.66 116.67 117.86 3mqw s ASP 38 Ca 0.46 -0.76 0.22 0.00 -0.52 0.00 0.00 52.55 51.95 3mqw s ASP 38 Cb -0.16 -2.00 1.20 0.00 -1.46 0.00 0.00 42.92 40.50 3mqw s ASP 38 CO 0.21 -0.28 1.74 -0.09 0.52 0.00 0.00 175.17 177.27 3mqw h ARG 39 N 8.38 0.29 -0.06 4.34 9.65 -1.85 -0.40 114.38 134.72 3mqw h ARG 39 Ca -0.29 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.51 3mqw h ARG 39 Cb 1.12 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 3mqw h ARG 39 CO 0.64 0.19 -0.25 0.87 2.80 0.00 0.00 179.97 184.22 3mqw h LYS 40 N 0.30 0.11 0.00 0.20 1.57 -1.94 -3.24 116.57 113.58 3mqw h LYS 40 Ca 0.64 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3mqw h LYS 40 Cb 1.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.07 3mqw h LYS 40 CO -0.30 0.36 -1.31 0.25 -0.57 0.00 0.00 179.45 177.88 3mqw n THR 41 N -4.20 0.00 -1.01 -0.16 -2.24 -0.75 -5.00 114.28 100.93 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 0.33 0.43 -0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.63 0.34 3.39 3.38 0.00 -0.24 -5.00 105.19 108.69 3mqw n GLY 42 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3mqw n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mqw s ASP 43 N -2.02 1.92 0.48 1.61 -1.08 -1.23 -4.90 116.67 111.44 3mqw s ASP 43 Ca 0.00 -1.56 -0.23 0.00 -0.52 0.00 0.00 52.55 50.24 3mqw s ASP 43 Cb 0.00 0.35 -0.07 0.00 -1.46 0.00 0.00 42.92 41.75 3mqw s ASP 43 CO 0.00 -0.86 1.23 -0.36 0.52 0.00 0.00 175.17 175.70 3mqw s PHE 44 N -3.48 2.70 0.46 -5.34 0.08 -1.26 -0.50 117.98 110.65 3mqw s PHE 44 Ca 0.33 1.48 0.15 0.00 0.12 0.00 0.00 56.93 59.01 3mqw s PHE 44 Cb 0.05 -3.53 1.07 0.00 -0.57 0.00 0.00 43.02 40.04 3mqw s PHE 44 CO 0.17 -1.96 2.03 0.00 -0.10 0.00 0.00 175.22 175.35 3mqw h ALA 45 N 1.95 1.77 -1.94 5.36 0.00 -1.41 -3.44 119.26 121.55 3mqw h ALA 45 Ca -0.50 -0.13 0.31 0.00 0.00 0.00 0.00 54.91 54.60 3mqw h ALA 45 Cb 1.26 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3mqw h ALA 45 CO 0.60 0.17 0.83 0.20 0.00 0.00 0.00 179.25 181.05 3mqw s GLY 46 N -4.16 -0.20 0.00 0.00 0.00 -1.26 -4.95 107.32 96.74 3mqw s GLY 46 Ca -0.04 0.22 0.27 0.00 0.00 0.00 0.00 44.72 45.17 3mqw s GLY 46 CO 0.69 3.20 1.68 0.28 0.00 0.00 0.00 173.10 178.94 3mqw n LYS 47 N -0.73 0.23 -4.05 2.90 5.02 -1.26 -4.56 118.16 115.72 3mqw n LYS 47 Ca -0.02 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 55.94 3mqw n LYS 47 Cb 0.60 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.83 4.78 0.36 -0.18 -4.23 -1.26 -5.01 115.64 107.27 3mqw s THR 48 Ca 0.17 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 3mqw s THR 48 Cb 0.19 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 70.74 3mqw s THR 48 CO 0.58 -0.23 1.99 -0.29 -0.54 0.00 0.00 174.62 176.14 3mqw h ILE 49 N 1.62 1.16 -0.30 2.99 6.09 -1.98 -1.45 117.51 125.64 3mqw h ILE 49 Ca -0.49 -0.39 -0.04 0.00 -1.37 0.00 0.00 64.86 62.57 3mqw h ILE 49 Cb 1.22 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 3mqw h ILE 49 CO 0.63 0.17 0.02 -0.33 -3.07 0.00 0.00 178.15 175.57 3mqw h GLU 50 N 0.71 0.52 -0.32 2.19 3.07 -1.95 -0.95 114.58 117.85 3mqw h GLU 50 Ca 0.18 -0.16 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 3mqw h GLU 50 Cb 0.01 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3mqw h GLU 50 CO -0.03 0.65 -0.48 0.93 -1.40 0.00 0.00 179.01 178.67 3mqw h GLU 51 N 0.32 0.89 -0.17 2.33 5.08 -1.82 -2.25 114.58 118.96 3mqw h GLU 51 Ca 0.09 -0.52 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 3mqw h GLU 51 Cb 0.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3mqw h GLU 51 CO 0.01 1.17 -0.56 1.96 -1.00 0.00 0.00 179.01 180.58 3mqw h GLN 52 N 0.70 0.52 -0.50 2.33 4.20 -1.28 -2.18 115.11 118.89 3mqw h GLN 52 Ca 0.03 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 3mqw h GLN 52 Cb 1.09 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3mqw h GLN 52 CO 0.11 0.94 0.05 0.77 -0.67 0.00 0.00 178.83 180.03 3mqw h SER 53 N 0.39 0.82 -0.35 1.46 0.02 -1.06 0.33 113.55 115.17 3mqw h SER 53 Ca 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3mqw h SER 53 Cb 1.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3mqw h SER 53 CO 0.10 0.90 0.23 0.11 -1.14 0.00 0.00 176.83 177.03 3mqw h LYS 54 N 0.72 0.47 -0.64 3.45 1.57 -1.38 -1.98 116.57 118.78 3mqw h LYS 54 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3mqw h LYS 54 Cb 0.45 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3mqw h LYS 54 CO 0.02 0.33 0.31 0.37 -0.57 0.00 0.00 179.45 179.91 3mqw h GLN 55 N 0.47 0.91 -0.31 3.15 5.75 -1.12 -1.95 115.11 122.01 3mqw h GLN 55 Ca 0.13 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3mqw h GLN 55 Cb -0.03 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.31 3mqw h GLN 55 CO -0.03 0.72 0.03 0.28 -2.65 0.00 0.00 178.83 177.19 3mqw h VAL 56 N 0.87 0.81 -0.50 2.39 2.07 -0.77 0.17 116.25 121.29 3mqw h VAL 56 Ca 0.22 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 3mqw h VAL 56 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3mqw h VAL 56 CO -0.03 0.02 0.04 0.24 0.02 0.00 0.00 177.57 177.86 3mqw h MET 57 N 0.13 0.81 -0.21 1.57 2.86 -1.16 -0.07 114.93 118.87 3mqw h MET 57 Ca 0.15 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3mqw h MET 57 Cb 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3mqw h MET 57 CO -0.22 0.79 -0.10 1.15 1.06 0.00 0.00 176.91 179.59 3mqw h THR 58 N 0.76 1.30 -0.41 2.22 2.02 -0.99 -1.72 112.91 116.09 3mqw h THR 58 Ca 0.15 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.21 3mqw h THR 58 Cb 0.41 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 3mqw h THR 58 CO 0.01 0.35 0.20 0.78 0.37 0.00 0.00 175.52 177.24 3mqw h ASN 59 N 0.15 0.29 -0.26 4.18 2.35 -0.44 -0.34 115.58 121.50 3mqw h ASN 59 Ca 0.05 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3mqw h ASN 59 Cb 0.59 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 3mqw h ASN 59 CO 0.03 0.21 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.87 3mqw h LEU 60 N 0.41 -0.27 -0.56 1.61 3.38 -0.91 -1.45 115.31 117.52 3mqw h LEU 60 Ca 0.18 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.34 3mqw h LEU 60 Cb 0.09 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3mqw h LEU 60 CO -0.13 -0.10 0.09 0.50 0.09 0.00 0.00 178.44 178.90 3mqw h LYS 61 N -0.01 0.22 -0.44 1.13 3.64 -0.82 0.37 116.57 120.65 3mqw h LYS 61 Ca 0.13 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3mqw h LYS 61 Cb 0.21 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3mqw h LYS 61 CO -0.28 0.14 0.24 1.88 -2.27 0.00 0.00 179.45 179.17 3mqw h TYR 62 N 0.22 0.45 -0.06 1.91 0.05 -0.56 -0.94 116.97 118.04 3mqw h TYR 62 Ca 0.29 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 3mqw h TYR 62 Cb 0.43 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 3mqw h TYR 62 CO -0.26 0.25 0.01 0.28 -1.05 0.00 0.00 178.16 177.38 3mqw h VAL 63 N 0.49 1.22 -0.53 -2.88 2.07 -0.70 -0.92 116.25 114.99 3mqw h VAL 63 Ca 0.18 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3mqw h VAL 63 Cb 0.05 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3mqw h VAL 63 CO -0.10 0.18 0.28 -0.07 0.02 0.00 0.00 177.57 177.88 3mqw h LEU 64 N -0.16 0.41 -0.50 2.57 3.38 -0.84 -1.86 115.31 118.32 3mqw h LEU 64 Ca 0.02 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3mqw h LEU 64 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mqw h LEU 64 CO 0.00 0.28 -0.58 -0.33 0.09 0.00 0.00 178.44 177.90 3mqw h GLU 65 N 0.54 0.52 -0.94 1.13 5.08 -1.10 0.26 114.58 120.08 3mqw h GLU 65 Ca 0.23 -0.35 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3mqw h GLU 65 Cb 0.12 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3mqw h GLU 65 CO -0.15 0.96 0.59 1.49 -1.00 0.00 0.00 179.01 180.90 3mqw h GLU 66 N 0.40 1.02 0.00 2.33 4.57 -0.93 -2.38 114.58 119.58 3mqw h GLU 66 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3mqw h GLU 66 Cb 1.13 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3mqw h GLU 66 CO 0.11 0.67 0.00 0.00 -1.18 0.00 0.00 179.01 178.61 3mqw n ALA 67 N -2.36 1.80 -0.17 2.92 0.00 -0.72 -4.88 120.51 117.11 3mqw n ALA 67 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3mqw n ALA 67 Cb 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.29 0.89 0.00 0.00 0.00 -0.90 -5.01 105.19 100.47 3mqw n GLY 68 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.70 -3.69 1.61 2.88 0.88 -4.79 113.62 111.21 3mqw n SER 69 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3mqw n SER 69 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.19 -0.13 0.32 -3.46 1.04 -1.26 -3.79 113.70 106.23 3mqw s SER 70 Ca 0.00 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3mqw s SER 70 Cb 0.00 0.42 0.53 0.00 0.10 0.00 0.00 66.02 67.07 3mqw s SER 70 CO 0.00 -0.78 1.85 0.24 0.98 0.00 0.00 173.24 175.52 3mqw h MET 71 N 2.00 0.60 0.00 4.02 2.86 -1.94 -1.90 114.93 120.58 3mqw h MET 71 Ca -0.26 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3mqw h MET 71 Cb 1.22 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3mqw h MET 71 CO 0.27 0.62 0.00 -0.44 1.06 0.00 0.00 176.91 178.42 3mqw h ASP 72 N 0.57 0.00 -0.62 1.22 3.32 -1.96 -2.41 116.42 116.54 3mqw h ASP 72 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3mqw h ASP 72 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mqw h ASP 72 CO 0.01 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 3mqw n LYS 73 N -2.66 3.00 -2.43 3.56 5.02 -0.72 -4.96 118.16 118.97 3mqw n LYS 73 Ca -0.00 -2.60 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 3mqw n LYS 73 Cb 0.16 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.25 3.95 -0.22 -0.18 1.01 -0.91 -1.20 120.40 121.60 3mqw s VAL 74 Ca 0.44 1.47 -0.04 0.00 0.00 0.00 0.00 61.98 63.85 3mqw s VAL 74 Cb 0.25 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.50 3mqw s VAL 74 CO 0.27 0.15 -0.05 0.52 0.00 0.00 0.00 175.10 175.99 3mqw n VAL 75 N 3.48 1.58 -3.69 2.92 0.31 0.70 -4.46 118.33 119.18 3mqw n VAL 75 Ca 0.07 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 3mqw n VAL 75 Cb 0.46 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 0.53 0.28 5.55 2.47 -1.06 -1.23 119.74 123.76 3mqw s LYS 76 Ca -0.32 0.80 0.12 0.00 -1.56 0.00 0.00 55.97 55.01 3mqw s LYS 76 Cb 0.09 0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.56 3mqw s LYS 76 CO 0.63 -0.11 -0.19 0.95 0.16 0.00 0.00 175.35 176.79 3mqw s THR 77 N 0.85 2.44 -0.08 3.43 -4.23 0.01 -0.89 115.64 117.18 3mqw s THR 77 Ca -0.05 -2.39 0.03 0.00 -1.18 0.00 0.00 61.69 58.10 3mqw s THR 77 Cb -0.05 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3mqw s THR 77 CO -0.07 -0.39 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.58 3mqw s THR 78 N -2.53 1.34 -0.21 3.99 2.01 -0.59 -1.83 115.64 117.82 3mqw s THR 78 Ca 0.30 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 3mqw s THR 78 Cb -0.04 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.28 3mqw s THR 78 CO 0.15 0.40 -0.13 0.00 -0.69 0.00 0.00 174.62 174.35 3mqw s LEU 80 N 1.31 2.82 0.15 0.00 1.02 0.26 -2.08 118.68 122.15 3mqw s LEU 80 Ca 0.02 -0.23 0.11 0.00 0.02 0.00 0.00 54.13 54.05 3mqw s LEU 80 Cb -0.15 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 3mqw s LEU 80 CO -0.09 0.25 -0.26 -0.76 0.02 0.00 0.00 176.35 175.51 3mqw s LEU 81 N -0.15 2.35 0.35 1.79 1.43 -0.48 -0.85 118.68 123.12 3mqw s LEU 81 Ca -0.00 -0.78 0.24 0.00 -1.03 0.00 0.00 54.13 52.56 3mqw s LEU 81 Cb -0.13 -1.19 0.54 0.00 0.03 0.00 0.00 46.19 45.43 3mqw s LEU 81 CO 0.03 0.16 1.68 0.00 0.23 0.00 0.00 176.35 178.45 3mqw h ALA 82 N 3.71 1.00 -2.68 4.21 0.00 -1.49 0.14 119.26 124.14 3mqw h ALA 82 Ca -0.50 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 3mqw h ALA 82 Cb 1.18 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.65 3mqw h ALA 82 CO 0.41 0.00 -0.53 0.34 0.00 0.00 0.00 179.25 179.47 3mqw s ASP 83 N -5.56 0.47 0.60 0.00 -1.08 -1.26 -4.83 116.67 105.02 3mqw s ASP 83 Ca 0.08 0.45 0.32 0.00 -0.52 0.00 0.00 52.55 52.88 3mqw s ASP 83 Cb 0.08 0.74 1.91 0.00 -1.46 0.00 0.00 42.92 44.18 3mqw s ASP 83 CO 0.64 -0.26 2.27 -0.29 0.52 0.00 0.00 175.17 178.05 3mqw h ILE 84 N 6.27 0.45 0.00 4.11 6.09 -1.94 -0.49 117.51 132.00 3mqw h ILE 84 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3mqw h ILE 84 Cb 1.12 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3mqw h ILE 84 CO 0.17 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.54 3mqw n LYS 85 N -3.74 0.12 0.00 2.19 5.02 -1.26 -1.45 118.16 119.04 3mqw n LYS 85 Ca -0.03 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.79 3mqw n LYS 85 Cb 0.09 -1.73 0.75 0.00 -0.02 0.00 0.00 35.03 34.12 3mqw n LYS 85 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3mqw n ASP 86 N -1.96 0.34 -0.15 4.39 8.00 -0.19 -4.36 116.55 122.62 3mqw n ASP 86 Ca 0.02 -0.78 -0.03 0.00 0.71 0.00 0.00 54.79 54.71 3mqw n ASP 86 Cb 0.19 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.49 -0.27 -0.13 1.24 3.57 -1.42 -1.06 116.94 119.35 3mqw h PHE 87 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3mqw h PHE 87 Cb 0.23 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3mqw h PHE 87 CO 0.00 -0.21 0.04 0.78 -2.23 0.00 0.00 178.31 176.69 3mqw h GLY 88 N -0.01 0.15 0.98 2.40 0.00 -1.84 0.13 103.07 104.89 3mqw h GLY 88 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 3mqw h GLY 88 CO -0.49 0.02 -0.15 -2.08 0.00 0.00 0.00 176.54 173.83 3mqw h VAL 89 N 0.10 1.28 -0.14 4.60 2.07 -1.81 -2.43 116.25 119.92 3mqw h VAL 89 Ca 0.06 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.34 3mqw h VAL 89 Cb 0.03 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3mqw h VAL 89 CO -0.06 0.42 -0.02 0.15 0.02 0.00 0.00 177.57 178.08 3mqw h PHE 90 N 0.55 -0.04 -0.97 1.57 3.57 -1.08 -2.75 116.94 117.79 3mqw h PHE 90 Ca 0.09 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.73 3mqw h PHE 90 Cb 0.69 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 3mqw h PHE 90 CO 0.06 -0.04 0.61 -0.97 -2.23 0.00 0.00 178.31 175.74 3mqw h ASN 91 N 0.02 0.84 -0.71 0.41 -1.24 -0.59 0.09 115.58 114.40 3mqw h ASN 91 Ca 0.07 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 3mqw h ASN 91 Cb 0.09 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 3mqw h ASN 91 CO -0.13 0.44 0.22 1.23 -1.29 0.00 0.00 177.43 177.90 3mqw h GLY 92 N 0.90 1.18 1.05 1.57 0.00 -1.14 0.29 103.07 106.92 3mqw h GLY 92 Ca 0.48 -0.70 -0.22 0.00 0.00 0.00 0.00 47.33 46.90 3mqw h GLY 92 CO -0.25 0.66 -0.83 -2.22 0.00 0.00 0.00 176.54 173.90 3mqw h ILE 93 N 1.04 1.33 -0.06 2.60 2.04 -1.19 -1.59 117.51 121.68 3mqw h ILE 93 Ca 0.23 -2.11 0.01 0.00 1.00 0.00 0.00 64.86 63.99 3mqw h ILE 93 Cb 0.31 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3mqw h ILE 93 CO -0.01 0.64 -0.03 0.22 0.00 0.00 0.00 178.15 178.98 3mqw h TYR 94 N 0.25 -0.08 -0.67 1.37 3.20 -0.93 -1.19 116.97 118.93 3mqw h TYR 94 Ca -0.09 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3mqw h TYR 94 Cb 1.49 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.77 3mqw h TYR 94 CO 0.11 -0.05 0.31 0.00 -1.64 0.00 0.00 178.16 176.89 3mqw h ALA 95 N 1.02 0.87 -0.84 1.82 0.00 -0.90 -2.19 119.26 119.03 3mqw h ALA 95 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mqw h ALA 95 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3mqw h ALA 95 CO -0.08 0.44 0.52 1.49 0.00 0.00 0.00 179.25 181.62 3mqw h GLU 96 N 0.93 1.13 -0.41 0.00 4.22 -1.02 -0.99 114.58 118.45 3mqw h GLU 96 Ca 0.23 -0.09 -0.11 0.00 0.08 0.00 0.00 59.36 59.46 3mqw h GLU 96 Cb 0.13 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3mqw h GLU 96 CO -0.03 0.78 -0.20 0.00 -2.18 0.00 0.00 179.01 177.38 3mqw h ALA 97 N 1.42 0.87 0.00 2.92 0.00 -0.82 -3.00 119.26 120.64 3mqw h ALA 97 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mqw h ALA 97 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mqw h ALA 97 CO -0.06 0.63 -0.28 1.19 0.00 0.00 0.00 179.25 180.74 3mqw n PHE 98 N -4.12 0.44 0.00 0.00 3.72 -0.86 -5.01 117.46 111.64 3mqw n PHE 98 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3mqw n PHE 98 Cb 0.43 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.39 3.80 0.34 1.37 0.00 -0.40 -1.45 105.19 110.24 3mqw n GLY 99 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 8.28 1.24 -4.76 1.61 3.02 -1.26 -4.83 115.26 118.56 3mqw n ASN 100 Ca 0.00 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 53.03 3mqw n ASN 100 Cb 0.00 0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 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 -2.33 3.93 -0.49 3.10 2.46 -0.53 -5.02 115.29 116.40 3mqw s HIS 101 Ca 0.29 1.75 0.03 0.00 0.47 0.00 0.00 55.06 57.60 3mqw s HIS 101 Cb 0.20 -2.87 0.16 0.00 -0.13 0.00 0.00 32.58 29.94 3mqw s HIS 101 CO 0.46 0.47 0.34 0.15 -2.47 0.00 0.00 174.74 173.69 3mqw s LYS 102 N -1.04 1.41 0.77 2.88 1.02 -1.26 -4.80 119.74 118.72 3mqw s LYS 102 Ca 0.39 -2.36 -0.15 0.00 0.02 0.00 0.00 55.97 53.87 3mqw s LYS 102 Cb -0.24 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3mqw s LYS 102 CO 0.29 -1.28 1.00 -2.30 -0.92 0.00 0.00 175.35 172.13 3mqw n PRO 103 N 2.90 0.32 -1.03 -1.68 -0.02 -1.26 -5.00 135.00 129.23 3mqw n PRO 103 Ca 0.20 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 3mqw n PRO 103 Cb 0.40 -2.26 0.13 0.00 -0.02 0.00 0.00 33.50 31.74 3mqw n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mqw n ALA 104 N -2.88 -0.52 -3.34 3.55 0.00 -0.37 -4.86 120.51 112.10 3mqw n ALA 104 Ca 0.13 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 3mqw n ALA 104 Cb 0.50 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 3mqw n ALA 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3mqw s ARG 105 N -4.01 0.71 -0.01 0.00 3.52 -1.26 -0.81 118.95 117.10 3mqw s ARG 105 Ca 0.70 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 3mqw s ARG 105 Cb -0.28 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.43 3mqw s ARG 105 CO 0.54 -0.18 -0.13 0.00 -0.81 0.00 0.00 175.30 174.72 3mqw s ALA 106 N -0.83 1.05 0.02 6.12 0.00 -0.76 -4.97 121.76 122.39 3mqw s ALA 106 Ca -0.09 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3mqw s ALA 106 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3mqw s ALA 106 CO 0.04 0.25 -0.08 0.00 0.00 0.00 0.00 175.76 175.98 3mqw s PHE 108 N -0.76 -0.30 -0.21 0.00 -0.12 -0.88 -4.98 117.98 110.73 3mqw s PHE 108 Ca -0.03 -0.03 -0.11 0.00 -0.05 0.00 0.00 56.93 56.71 3mqw s PHE 108 Cb -0.06 0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 3mqw s PHE 108 CO 0.00 -1.01 0.18 0.00 -0.05 0.00 0.00 175.22 174.35 3mqw s ALA 109 N -3.72 3.64 0.77 1.99 0.00 -1.26 -1.38 121.76 121.79 3mqw s ALA 109 Ca 0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 3mqw s ALA 109 Cb -0.03 -2.29 0.06 0.00 0.00 0.00 0.00 23.12 20.85 3mqw s ALA 109 CO -0.01 -0.02 1.14 0.00 0.00 0.00 0.00 175.76 176.86 3mqw s ALA 110 N 0.71 2.78 0.27 0.00 0.00 0.47 -4.90 121.76 121.09 3mqw s ALA 110 Ca 0.10 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.57 3mqw s ALA 110 Cb -0.12 -2.94 0.33 0.00 0.00 0.00 0.00 23.12 20.39 3mqw s ALA 110 CO 0.02 -1.47 1.60 0.00 0.00 0.00 0.00 175.76 175.91 3mqw h ALA 111 N -0.89 0.95 -1.55 0.00 0.00 -1.91 -3.43 119.26 112.44 3mqw h ALA 111 Ca -0.46 -0.56 0.15 0.00 0.00 0.00 0.00 54.91 54.05 3mqw h ALA 111 Cb 1.31 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 3mqw h ALA 111 CO 0.65 0.77 0.68 0.00 0.00 0.00 0.00 179.25 181.34 3mqw s ALA 112 N -3.63 -1.98 0.24 0.00 0.00 -1.26 -5.05 121.76 110.07 3mqw s ALA 112 Ca -0.02 1.57 0.11 0.00 0.00 0.00 0.00 51.96 53.62 3mqw s ALA 112 Cb 0.13 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3mqw s ALA 112 CO 0.77 -0.41 -0.17 -0.51 0.00 0.00 0.00 175.76 175.44 3mqw s LEU 113 N -1.51 2.70 0.39 0.00 1.43 -1.26 -5.04 118.68 115.38 3mqw s LEU 113 Ca 0.04 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 3mqw s LEU 113 Cb -0.01 -1.30 -0.11 0.00 0.03 0.00 0.00 46.19 44.80 3mqw s LEU 113 CO -0.03 0.07 1.00 -2.65 0.23 0.00 0.00 176.35 174.96 3mqw n PRO 114 N -0.30 1.35 -1.78 1.29 -0.02 -1.26 -2.84 135.00 131.43 3mqw n PRO 114 Ca -0.08 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.68 3mqw n PRO 114 Cb 0.58 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.30 -1.45 -1.14 -0.52 5.02 -1.26 -1.81 118.16 117.31 3mqw n LYS 115 Ca 0.09 1.15 -0.05 0.00 -2.02 0.00 0.00 58.31 57.49 3mqw n LYS 115 Cb 0.38 -5.57 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 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 -0.63 0.69 3.77 0.72 0.00 -1.13 -4.99 105.19 103.63 3mqw n GLY 116 Ca -0.21 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3mqw n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqw s ALA 117 N -1.96 3.45 -0.44 4.61 0.00 -0.75 -4.92 121.76 121.75 3mqw s ALA 117 Ca 0.00 1.54 0.23 0.00 0.00 0.00 0.00 51.96 53.73 3mqw s ALA 117 Cb 0.00 -3.60 0.34 0.00 0.00 0.00 0.00 23.12 19.86 3mqw s ALA 117 CO 0.00 -1.12 1.60 -0.07 0.00 0.00 0.00 175.76 176.17 3mqw h LEU 118 N 2.73 0.00 -7.19 0.00 3.38 -1.94 -3.40 115.31 108.89 3mqw h LEU 118 Ca -0.51 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 3mqw h LEU 118 Cb 1.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.78 3mqw h LEU 118 CO 0.63 0.00 -0.08 0.54 0.09 0.00 0.00 178.44 179.62 3mqw s VAL 119 N -3.21 0.00 -0.03 1.22 0.11 -1.26 -1.41 120.40 115.82 3mqw s VAL 119 Ca 0.07 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3mqw s VAL 119 Cb 0.05 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3mqw s VAL 119 CO 0.67 -0.01 0.04 -0.70 -3.33 0.00 0.00 175.10 171.77 3mqw s GLU 120 N 0.13 -0.03 -0.10 1.54 2.12 -0.03 -4.36 118.70 117.97 3mqw s GLU 120 Ca -0.01 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.54 3mqw s GLU 120 Cb -0.04 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.12 3mqw s GLU 120 CO 0.01 -0.17 -0.10 0.08 -0.54 0.00 0.00 175.26 174.54 3mqw s VAL 121 N 1.12 1.16 0.34 3.70 1.01 -0.50 -0.57 120.40 126.65 3mqw s VAL 121 Ca -0.09 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3mqw s VAL 121 Cb -0.13 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3mqw s VAL 121 CO -0.03 0.38 0.15 -1.83 0.00 0.00 0.00 175.10 173.77 3mqw s GLU 122 N 1.33 2.40 0.17 2.72 -1.05 -0.54 -0.77 118.70 122.96 3mqw s GLU 122 Ca -0.01 -1.53 -0.24 0.00 -0.15 0.00 0.00 54.97 53.04 3mqw s GLU 122 Cb -0.14 -2.20 0.06 0.00 -0.44 0.00 0.00 34.13 31.42 3mqw s GLU 122 CO -0.05 0.11 0.76 0.00 0.95 0.00 0.00 175.26 177.03 3mqw s ILE 124 N -3.60 2.71 0.20 0.00 2.07 -0.07 -0.80 121.20 121.71 3mqw s ILE 124 Ca 0.07 -0.98 -0.02 0.00 -1.41 0.00 0.00 60.65 58.32 3mqw s ILE 124 Cb -0.03 -2.06 -0.04 0.00 0.13 0.00 0.00 42.46 40.47 3mqw s ILE 124 CO -0.03 0.51 0.14 0.00 -1.91 0.00 0.00 174.94 173.65 3mqw s ALA 125 N -0.76 1.10 0.15 1.50 0.00 -0.32 -0.21 121.76 123.22 3mqw s ALA 125 Ca 0.12 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.48 3mqw s ALA 125 Cb -0.10 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 3mqw s ALA 125 CO 0.02 -0.60 0.10 -0.08 0.00 0.00 0.00 175.76 175.20 3mqw s THR 126 N -4.15 4.35 -2.00 0.00 -1.32 -0.34 -0.02 115.64 112.15 3mqw s THR 126 Ca 0.38 -1.10 0.18 0.00 -1.21 0.00 0.00 61.69 59.94 3mqw s THR 126 Cb 0.07 -3.20 0.52 0.00 -1.51 0.00 0.00 72.50 68.38 3mqw s THR 126 CO 0.12 -0.08 1.49 0.18 -2.21 0.00 0.00 174.62 174.12