#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqw s MET -12 N 0.00 2.76 -0.04 1.57 -1.94 -1.26 -5.13 119.30 115.26 3mqw s MET -12 Ca 0.00 -1.17 -0.31 0.00 -1.71 0.00 0.00 55.69 52.50 3mqw s MET -12 Cb 0.00 -2.46 0.12 0.00 2.01 0.00 0.00 34.83 34.49 3mqw s MET -12 CO 0.00 0.35 1.19 0.20 -0.01 0.00 0.00 175.02 176.75 3mqw s GLY -11 N -3.83 -0.36 0.59 -0.03 0.00 -1.26 -4.87 107.32 97.56 3mqw s GLY -11 Ca 0.34 0.88 -0.15 0.00 0.00 0.00 0.00 44.72 45.78 3mqw s GLY -11 CO 0.24 0.23 1.05 -0.51 0.00 0.00 0.00 173.10 174.11 3mqw s THR -10 N -2.59 3.92 0.02 0.90 -4.23 -1.20 -4.47 115.64 108.00 3mqw s THR -10 Ca 0.12 0.89 0.04 0.00 -1.18 0.00 0.00 61.69 61.56 3mqw s THR -10 Cb 0.02 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 3mqw s THR -10 CO -0.04 -0.56 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.59 3mqw s LEU -9 N -4.53 2.13 -1.58 4.79 1.43 -0.99 -4.84 118.68 115.10 3mqw s LEU -9 Ca 0.62 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 3mqw s LEU -9 Cb -0.15 -0.59 0.13 0.00 0.03 0.00 0.00 46.19 45.61 3mqw s LEU -9 CO 0.38 0.06 0.78 -0.62 0.23 0.00 0.00 176.35 177.18 3mqw n GLU -8 N 2.16 -3.80 -2.81 1.70 1.02 -1.26 -1.21 120.64 116.43 3mqw n GLU -8 Ca -0.17 0.45 -0.21 0.00 -0.02 0.00 0.00 57.16 57.21 3mqw n GLU -8 Cb 0.55 -5.22 0.01 0.00 -0.02 0.00 0.00 31.44 26.76 3mqw n GLU -8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mqw n ALA -7 N -4.28 -0.86 -2.69 0.62 0.00 -1.26 -4.98 120.51 107.05 3mqw n ALA -7 Ca 0.05 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 3mqw n ALA -7 Cb 0.51 -2.99 -0.14 0.00 0.00 0.00 0.00 19.45 16.83 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 -5.47 0.76 0.74 0.00 0.74 -0.35 -5.14 119.66 110.94 3mqw s GLN -6 Ca 0.19 -0.48 -0.15 0.00 0.05 0.00 0.00 55.36 54.97 3mqw s GLN -6 Cb -0.09 -0.72 0.04 0.00 1.10 0.00 0.00 33.01 33.35 3mqw s GLN -6 CO 0.24 0.19 1.23 0.25 -0.55 0.00 0.00 175.29 176.65 3mqw n THR -5 N 2.46 3.22 -2.47 -0.34 -2.24 -1.26 -2.34 114.28 111.31 3mqw n THR -5 Ca -0.16 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 3mqw n THR -5 Cb 0.56 -1.31 0.05 0.00 -2.10 0.00 0.00 70.33 67.52 3mqw n THR -5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqw n GLN -4 N -2.70 2.20 0.00 -0.78 1.13 -1.26 -4.82 117.38 111.15 3mqw n GLN -4 Ca 0.15 -3.59 0.00 0.00 -1.94 0.00 0.00 57.00 51.62 3mqw n GLN -4 Cb 0.49 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 -0.57 2.75 3.70 1.08 0.00 -1.26 -4.73 105.19 106.16 3mqw n GLY -3 Ca 0.20 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 0.51 2.75 0.00 1.61 -0.02 -1.26 -1.03 135.00 137.57 3mqw n PRO -2 Ca 0.00 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3mqw n PRO -2 Cb 0.00 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 30.60 3mqw n PRO -2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mqw n GLY -1 N 4.15 2.57 0.18 -1.23 0.00 -1.26 -4.93 105.19 104.67 3mqw n GLY -1 Ca 0.18 0.00 0.13 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 0.00 0.00 -3.48 1.61 4.64 -1.37 -3.43 113.55 111.53 3mqw h SER 0 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3mqw h SER 0 Cb 0.00 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.76 3mqw h SER 0 CO 0.00 0.00 -0.79 -0.32 -0.87 0.00 0.00 176.83 174.85 3mqw s MET 1 N -3.28 1.23 0.15 4.77 0.00 -1.26 -3.23 119.30 117.68 3mqw s MET 1 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 55.69 55.47 3mqw s MET 1 Cb 0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 34.83 33.79 3mqw s MET 1 CO 0.58 -0.01 0.10 -1.54 0.00 0.00 0.00 175.02 174.15 3mqw s SER 2 N 0.72 0.24 0.29 1.11 1.04 -1.26 -5.05 113.70 110.79 3mqw s SER 2 Ca -0.12 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.11 3mqw s SER 2 Cb -0.15 0.33 0.54 0.00 0.10 0.00 0.00 66.02 66.85 3mqw s SER 2 CO 0.02 -0.78 1.85 0.50 0.98 0.00 0.00 173.24 175.82 3mqw h LYS 3 N 2.77 0.99 -5.80 4.02 3.64 -2.00 -3.39 116.57 116.80 3mqw h LYS 3 Ca -0.35 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.31 3mqw h LYS 3 Cb 1.21 -0.22 -0.20 0.00 -0.41 0.00 0.00 32.23 32.61 3mqw h LYS 3 CO 0.56 0.65 -0.68 -0.51 -2.27 0.00 0.00 179.45 177.21 3mqw s LEU 4 N -10.17 3.22 -0.12 5.20 1.43 -1.26 -4.23 118.68 112.75 3mqw s LEU 4 Ca -0.12 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3mqw s LEU 4 Cb 0.22 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3mqw s LEU 4 CO 0.81 0.29 -0.22 -0.89 0.23 0.00 0.00 176.35 176.57 3mqw s THR 5 N -0.37 2.20 0.03 5.49 2.01 -0.46 -4.95 115.64 119.58 3mqw s THR 5 Ca 0.06 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3mqw s THR 5 Cb -0.12 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3mqw s THR 5 CO 0.02 0.55 1.18 -0.69 -0.69 0.00 0.00 174.62 174.99 3mqw s VAL 6 N 0.55 4.17 -0.19 3.82 1.01 -1.26 -0.48 120.40 128.01 3mqw s VAL 6 Ca -0.13 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 3mqw s VAL 6 Cb -0.17 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3mqw s VAL 6 CO 0.04 0.09 0.37 -0.69 0.00 0.00 0.00 175.10 174.91 3mqw s VAL 7 N 1.30 5.23 -0.36 2.92 1.01 -0.25 -4.96 120.40 125.29 3mqw s VAL 7 Ca 0.57 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3mqw s VAL 7 Cb -0.28 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.54 3mqw s VAL 7 CO 0.28 0.28 0.21 0.00 0.00 0.00 0.00 175.10 175.87 3mqw s ALA 8 N 1.13 1.08 -0.08 5.51 0.00 -1.26 -3.66 121.76 124.47 3mqw s ALA 8 Ca 0.18 -1.94 -0.21 0.00 0.00 0.00 0.00 51.96 49.99 3mqw s ALA 8 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3mqw s ALA 8 CO 0.07 -2.09 0.61 0.45 0.00 0.00 0.00 175.76 174.80 3mqw s SER 9 N 1.00 6.87 0.00 0.00 0.15 -1.26 -4.95 113.70 115.51 3mqw s SER 9 Ca 0.18 1.04 0.24 0.00 0.70 0.00 0.00 55.95 58.11 3mqw s SER 9 Cb -0.23 -2.36 1.25 0.00 -1.71 0.00 0.00 66.02 62.97 3mqw s SER 9 CO 0.00 -0.06 1.79 -0.81 1.20 0.00 0.00 173.24 175.36 3mqw n PRO 10 N 3.69 0.43 0.00 5.44 -0.04 -1.26 -3.10 135.00 140.17 3mqw n PRO 10 Ca -0.04 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 3mqw n PRO 10 Cb 0.51 -1.50 -0.11 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 -1.22 0.64 -4.91 1.53 4.77 -1.26 -4.93 117.00 111.62 3mqw n LEU 11 Ca 0.13 0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 3mqw n LEU 11 Cb 0.16 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3mqw n LEU 11 CO 0.17 0.20 0.45 0.00 -1.33 0.00 0.00 177.39 176.89 3mqw s ALA 12 N -2.89 3.40 0.40 -1.18 0.00 -1.18 -4.44 121.76 115.87 3mqw s ALA 12 Ca -0.05 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 3mqw s ALA 12 Cb 0.09 -2.58 -0.11 0.00 0.00 0.00 0.00 23.12 20.52 3mqw s ALA 12 CO 0.83 -0.41 1.19 -2.30 0.00 0.00 0.00 175.76 175.07 3mqw n PRO 13 N -2.30 1.78 -1.83 0.00 -0.02 -1.26 -4.75 135.00 126.61 3mqw n PRO 13 Ca 0.01 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3mqw n PRO 13 Cb 0.55 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.07 4.16 -0.72 -0.52 2.12 -1.26 -4.93 118.70 115.47 3mqw s GLU 14 Ca 0.61 2.50 -0.21 0.00 0.36 0.00 0.00 54.97 58.23 3mqw s GLU 14 Cb -0.54 -3.07 0.09 0.00 0.26 0.00 0.00 34.13 30.88 3mqw s GLU 14 CO 0.58 -0.61 0.97 0.00 -0.54 0.00 0.00 175.26 175.67 3mqw s ALA 15 N 0.35 3.23 -0.28 6.30 0.00 -1.26 -4.99 121.76 125.10 3mqw s ALA 15 Ca 0.65 -2.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 3mqw s ALA 15 Cb -0.46 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 3mqw s ALA 15 CO 0.42 -2.77 0.19 0.08 0.00 0.00 0.00 175.76 173.68 3mqw s VAL 16 N 3.47 5.31 0.00 0.00 1.01 -1.26 -4.87 120.40 124.06 3mqw s VAL 16 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3mqw s VAL 16 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3mqw s VAL 16 CO 0.04 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3mqw n GLY 17 N 5.02 0.96 1.40 4.51 0.00 -1.26 -4.71 105.19 111.11 3mqw n GLY 17 Ca -0.14 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 1.06 3.53 -2.88 4.61 0.00 -1.26 -4.83 120.51 120.74 3mqw n ALA 18 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 3mqw n ALA 18 Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.05 0.13 0.16 0.00 -0.85 -1.26 -5.17 117.35 109.30 3mqw s TYR 19 Ca 0.18 -0.49 0.08 0.00 -0.52 0.00 0.00 57.07 56.32 3mqw s TYR 19 Cb 0.15 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 3mqw s TYR 19 CO 0.03 -0.73 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.13 3mqw s SER 20 N -2.90 4.36 0.28 -0.18 0.01 -1.26 -4.66 113.70 109.36 3mqw s SER 20 Ca 0.11 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.88 3mqw s SER 20 Cb 0.02 -0.79 0.62 0.00 0.21 0.00 0.00 66.02 66.08 3mqw s SER 20 CO -0.05 0.12 1.78 1.56 0.41 0.00 0.00 173.24 177.06 3mqw h GLN 21 N 3.06 0.73 -2.89 12.44 4.20 -1.93 -3.41 115.11 127.30 3mqw h GLN 21 Ca -0.47 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.21 3mqw h GLN 21 Cb 1.19 -0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.70 3mqw h GLN 21 CO 0.54 0.48 0.26 0.00 -0.67 0.00 0.00 178.83 179.44 3mqw s ALA 22 N -5.92 -1.57 -0.04 3.87 0.00 -1.25 -0.49 121.76 116.36 3mqw s ALA 22 Ca -0.12 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3mqw s ALA 22 Cb 0.23 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.17 3mqw s ALA 22 CO 0.79 -0.81 -0.18 0.42 0.00 0.00 0.00 175.76 175.99 3mqw s ILE 23 N -3.69 1.47 -0.13 0.00 -1.09 -0.30 -1.09 121.20 116.37 3mqw s ILE 23 Ca 0.03 -0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 57.58 3mqw s ILE 23 Cb -0.02 -1.26 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 3mqw s ILE 23 CO -0.09 0.42 0.28 -0.63 -1.23 0.00 0.00 174.94 173.69 3mqw s ILE 24 N -0.00 5.29 -0.10 2.92 1.01 0.37 -0.74 121.20 129.95 3mqw s ILE 24 Ca -0.03 0.53 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 3mqw s ILE 24 Cb -0.11 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.80 3mqw s ILE 24 CO 0.02 0.45 0.20 0.00 0.00 0.00 0.00 174.94 175.61 3mqw n ASN 26 N 5.04 -4.54 0.00 0.00 3.02 -1.26 -1.45 115.26 116.06 3mqw n ASN 26 Ca -0.11 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3mqw n ASN 26 Cb 0.50 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.66 0.68 3.38 7.41 0.00 -1.26 -5.03 105.19 108.71 3mqw n GLY 27 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.19 1.58 -0.24 1.61 -1.94 -0.53 -1.58 119.30 118.02 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 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3mqw s MET 28 CO 0.00 0.48 -0.03 0.08 -0.01 0.00 0.00 175.02 175.54 3mqw s VAL 29 N -0.96 3.32 -0.41 -6.03 1.01 0.67 -0.60 120.40 117.39 3mqw s VAL 29 Ca 0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3mqw s VAL 29 Cb -0.10 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3mqw s VAL 29 CO 0.05 0.31 0.27 -0.31 0.00 0.00 0.00 175.10 175.42 3mqw s TYR 30 N 1.44 3.26 -0.07 5.22 2.02 0.08 -0.76 117.35 128.54 3mqw s TYR 30 Ca 0.04 -0.97 -0.11 0.00 -0.37 0.00 0.00 57.07 55.66 3mqw s TYR 30 Cb -0.15 -2.69 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 3mqw s TYR 30 CO -0.03 -0.70 0.27 0.00 -1.57 0.00 0.00 175.55 173.52 3mqw s SER 32 N -1.00 3.70 -0.19 0.00 0.01 0.36 -3.45 113.70 113.13 3mqw s SER 32 Ca 0.19 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.28 3mqw s SER 32 Cb -0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 3mqw s SER 32 CO 0.08 -2.58 1.97 -0.83 0.41 0.00 0.00 173.24 172.30 3mqw s GLY 33 N -2.73 0.87 0.11 3.44 0.00 -1.26 -4.44 107.32 103.31 3mqw s GLY 33 Ca 0.67 0.72 -0.29 0.00 0.00 0.00 0.00 44.72 45.82 3mqw s GLY 33 CO 0.54 3.48 0.91 1.20 0.00 0.00 0.00 173.10 179.23 3mqw s GLN 34 N 5.54 4.66 0.49 2.90 -1.52 0.11 -4.80 119.66 127.04 3mqw s GLN 34 Ca 0.89 1.36 0.06 0.00 -1.95 0.00 0.00 55.36 55.71 3mqw s GLN 34 Cb -0.31 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.12 3mqw s GLN 34 CO 0.35 0.27 0.33 0.96 -0.25 0.00 0.00 175.29 176.95 3mqw s ILE 35 N -0.16 2.00 -0.30 1.08 -4.36 -1.26 -1.60 121.20 116.60 3mqw s ILE 35 Ca 0.44 -1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.29 3mqw s ILE 35 Cb -0.23 -2.52 0.13 0.00 1.25 0.00 0.00 42.46 41.09 3mqw s ILE 35 CO 0.28 0.00 2.26 0.61 0.24 0.00 0.00 174.94 178.33 3mqw n GLY 36 N -1.58 3.93 3.79 6.27 0.00 -1.26 -4.51 105.19 111.82 3mqw n GLY 36 Ca -0.01 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.61 4.38 -0.29 0.99 1.43 -1.26 -0.70 118.68 121.62 3mqw s LEU 37 Ca 0.36 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 3mqw s LEU 37 Cb 0.25 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3mqw s LEU 37 CO -0.05 -0.01 0.29 -0.62 0.23 0.00 0.00 176.35 176.19 3mqw s ASP 38 N -1.56 6.13 0.37 2.29 -1.08 0.18 -4.66 116.67 118.34 3mqw s ASP 38 Ca 0.47 0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.62 3mqw s ASP 38 Cb -0.19 -2.17 0.87 0.00 -1.46 0.00 0.00 42.92 39.97 3mqw s ASP 38 CO 0.24 -0.16 1.87 -0.09 0.52 0.00 0.00 175.17 177.54 3mqw h ARG 39 N 8.33 0.61 0.00 4.34 9.65 -1.86 0.99 114.38 136.45 3mqw h ARG 39 Ca -0.33 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.48 3mqw h ARG 39 Cb 1.17 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 3mqw h ARG 39 CO 0.61 0.41 -0.19 0.87 2.80 0.00 0.00 179.97 184.47 3mqw h LYS 40 N 0.63 0.00 0.00 0.20 1.57 -1.93 -3.24 116.57 113.80 3mqw h LYS 40 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 3mqw h LYS 40 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3mqw h LYS 40 CO -0.20 0.19 -1.41 0.25 -0.57 0.00 0.00 179.45 177.71 3mqw n THR 41 N -4.22 0.05 -0.92 -0.16 -2.24 -0.63 -4.99 114.28 101.17 3mqw n THR 41 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3mqw n THR 41 Cb 0.26 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 2.06 0.34 3.75 3.38 0.00 0.25 -5.01 105.19 109.96 3mqw n GLY 42 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.16 4.47 0.60 1.61 1.01 -1.25 -4.87 116.67 116.08 3mqw s ASP 43 Ca 0.00 -1.05 -0.19 0.00 0.71 0.00 0.00 52.55 52.02 3mqw s ASP 43 Cb 0.00 -0.49 -0.03 0.00 1.01 0.00 0.00 42.92 43.41 3mqw s ASP 43 CO 0.00 -0.54 1.26 -0.36 0.21 0.00 0.00 175.17 175.74 3mqw s PHE 44 N -2.59 2.28 0.50 4.23 0.08 -1.26 -0.65 117.98 120.57 3mqw s PHE 44 Ca 0.42 1.48 0.20 0.00 0.12 0.00 0.00 56.93 59.14 3mqw s PHE 44 Cb 0.03 -3.61 1.31 0.00 -0.57 0.00 0.00 43.02 40.18 3mqw s PHE 44 CO 0.23 -2.56 2.11 0.00 -0.10 0.00 0.00 175.22 174.90 3mqw h ALA 45 N 0.92 1.71 -1.81 5.36 0.00 -1.22 -3.43 119.26 120.78 3mqw h ALA 45 Ca -0.51 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 54.66 3mqw h ALA 45 Cb 1.31 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 3mqw h ALA 45 CO 0.55 0.10 0.86 0.20 0.00 0.00 0.00 179.25 180.96 3mqw s GLY 46 N -4.14 -0.26 0.13 0.00 0.00 -1.26 -4.97 107.32 96.83 3mqw s GLY 46 Ca -0.04 0.34 0.26 0.00 0.00 0.00 0.00 44.72 45.28 3mqw s GLY 46 CO 0.64 2.86 1.71 0.28 0.00 0.00 0.00 173.10 178.59 3mqw n LYS 47 N -0.70 0.19 -3.65 2.90 4.76 -1.26 -4.55 118.16 115.84 3mqw n LYS 47 Ca -0.03 0.13 -0.26 0.00 -2.87 0.00 0.00 58.31 55.28 3mqw n LYS 47 Cb 0.61 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 3mqw n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3mqw s THR 48 N -3.08 5.18 0.32 -0.18 -4.23 -1.26 -4.99 115.64 107.40 3mqw s THR 48 Ca 0.11 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.19 3mqw s THR 48 Cb 0.14 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.50 3mqw s THR 48 CO 0.61 -0.28 1.90 -0.29 -0.54 0.00 0.00 174.62 176.02 3mqw h ILE 49 N 1.32 0.99 0.10 2.99 6.09 -1.97 -1.50 117.51 125.53 3mqw h ILE 49 Ca -0.49 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 62.68 3mqw h ILE 49 Cb 1.20 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3mqw h ILE 49 CO 0.66 0.17 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.52 3mqw h GLU 50 N 0.91 -0.13 -0.58 2.19 3.07 -1.94 0.16 114.58 118.26 3mqw h GLU 50 Ca 0.41 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.19 3mqw h GLU 50 Cb 0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3mqw h GLU 50 CO -0.17 -0.03 0.03 0.93 -1.40 0.00 0.00 179.01 178.37 3mqw h GLU 51 N -0.20 0.97 -0.08 2.33 5.08 -1.83 -2.02 114.58 118.84 3mqw h GLU 51 Ca -0.01 -0.28 -0.22 0.00 -1.00 0.00 0.00 59.36 57.85 3mqw h GLU 51 Cb 0.16 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3mqw h GLU 51 CO 0.02 0.94 -0.84 1.96 -1.00 0.00 0.00 179.01 180.09 3mqw h GLN 52 N 0.90 0.60 -0.50 2.33 4.20 -1.22 -2.20 115.11 119.22 3mqw h GLN 52 Ca 0.17 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 3mqw h GLN 52 Cb 0.48 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3mqw h GLN 52 CO 0.02 1.16 0.27 0.77 -0.67 0.00 0.00 178.83 180.38 3mqw h SER 53 N 0.38 0.62 -0.50 1.46 0.02 -0.85 0.13 113.55 114.82 3mqw h SER 53 Ca -0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3mqw h SER 53 Cb 1.46 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 3mqw h SER 53 CO 0.16 0.53 0.23 0.11 -1.14 0.00 0.00 176.83 176.72 3mqw h LYS 54 N 0.66 0.72 -0.58 3.45 1.57 -1.33 -1.83 116.57 119.24 3mqw h LYS 54 Ca 0.18 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3mqw h LYS 54 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3mqw h LYS 54 CO -0.03 0.61 0.04 0.37 -0.57 0.00 0.00 179.45 179.88 3mqw h GLN 55 N 0.66 0.99 -0.58 3.15 5.75 -1.13 -1.22 115.11 122.73 3mqw h GLN 55 Ca 0.17 -0.30 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 3mqw h GLN 55 Cb 0.13 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 3mqw h GLN 55 CO -0.02 0.97 0.25 0.28 -2.65 0.00 0.00 178.83 177.66 3mqw h VAL 56 N 0.88 0.86 -0.27 2.39 2.07 -0.52 0.14 116.25 121.80 3mqw h VAL 56 Ca 0.17 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3mqw h VAL 56 Cb 0.49 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3mqw h VAL 56 CO 0.02 0.09 -0.39 0.24 0.02 0.00 0.00 177.57 177.54 3mqw h MET 57 N 0.47 0.64 -0.39 1.57 2.86 -1.06 -0.86 114.93 118.16 3mqw h MET 57 Ca 0.28 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3mqw h MET 57 Cb 0.27 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3mqw h MET 57 CO -0.24 0.93 0.09 1.15 1.06 0.00 0.00 176.91 179.90 3mqw h THR 58 N 0.53 1.23 -0.60 2.22 2.02 -0.89 -2.19 112.91 115.23 3mqw h THR 58 Ca 0.05 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3mqw h THR 58 Cb 0.91 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 3mqw h THR 58 CO 0.08 0.27 0.36 0.78 0.37 0.00 0.00 175.52 177.38 3mqw h ASN 59 N 0.49 0.57 -0.59 4.18 2.35 -0.45 -0.73 115.58 121.40 3mqw h ASN 59 Ca 0.12 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3mqw h ASN 59 Cb 0.32 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3mqw h ASN 59 CO 0.00 0.40 0.27 -0.07 -1.65 0.00 0.00 177.43 176.38 3mqw h LEU 60 N 0.70 0.79 -1.01 1.61 3.38 -1.06 -1.44 115.31 118.28 3mqw h LEU 60 Ca 0.25 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3mqw h LEU 60 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3mqw h LEU 60 CO -0.12 0.71 0.66 0.50 0.09 0.00 0.00 178.44 180.29 3mqw h LYS 61 N 0.81 1.29 -0.56 1.13 3.64 -1.02 0.99 116.57 122.85 3mqw h LYS 61 Ca 0.20 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3mqw h LYS 61 Cb 0.14 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3mqw h LYS 61 CO -0.02 0.85 0.27 1.88 -2.27 0.00 0.00 179.45 180.16 3mqw h TYR 62 N 1.33 0.81 -0.27 1.91 0.05 -0.31 -0.44 116.97 120.05 3mqw h TYR 62 Ca 0.38 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 59.09 3mqw h TYR 62 Cb -0.09 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 3mqw h TYR 62 CO -0.00 0.62 0.02 0.28 -1.05 0.00 0.00 178.16 178.03 3mqw h VAL 63 N 0.76 1.25 -0.45 -2.88 2.07 -0.64 -1.56 116.25 114.79 3mqw h VAL 63 Ca 0.19 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3mqw h VAL 63 Cb 0.11 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3mqw h VAL 63 CO -0.03 0.27 0.22 -0.07 0.02 0.00 0.00 177.57 177.99 3mqw h LEU 64 N 0.26 0.60 -0.64 2.57 3.38 -0.62 -1.95 115.31 118.89 3mqw h LEU 64 Ca 0.08 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3mqw h LEU 64 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mqw h LEU 64 CO 0.01 0.56 -0.34 -0.33 0.09 0.00 0.00 178.44 178.43 3mqw h GLU 65 N 0.59 0.69 -0.95 1.13 5.08 -0.97 0.12 114.58 120.27 3mqw h GLU 65 Ca 0.16 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3mqw h GLU 65 Cb 0.12 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3mqw h GLU 65 CO -0.02 0.93 0.62 1.49 -1.00 0.00 0.00 179.01 181.03 3mqw h GLU 66 N 0.58 1.12 0.00 2.33 4.57 -1.10 -2.21 114.58 119.87 3mqw h GLU 66 Ca 0.06 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3mqw h GLU 66 Cb 0.86 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3mqw h GLU 66 CO 0.07 0.74 -0.04 0.00 -1.18 0.00 0.00 179.01 178.60 3mqw h ALA 67 N 1.46 1.01 0.00 2.92 0.00 -0.80 -3.47 119.26 120.38 3mqw h ALA 67 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3mqw h ALA 67 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mqw h ALA 67 CO -0.13 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3mqw n GLY 68 N 0.14 0.98 0.00 0.00 0.00 -0.83 -5.02 105.19 100.46 3mqw n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.40 -3.67 1.61 2.88 0.38 -4.81 113.62 110.41 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 -0.55 -0.24 0.31 -3.46 1.04 -1.26 -3.97 113.70 105.57 3mqw s SER 70 Ca 0.00 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.19 3mqw s SER 70 Cb 0.00 0.46 0.62 0.00 0.10 0.00 0.00 66.02 67.19 3mqw s SER 70 CO 0.00 -0.81 1.89 0.24 0.98 0.00 0.00 173.24 175.53 3mqw h MET 71 N 2.00 0.90 0.00 4.02 2.86 -1.94 -1.88 114.93 120.89 3mqw h MET 71 Ca -0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3mqw h MET 71 Cb 1.24 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3mqw h MET 71 CO 0.27 0.59 0.00 -0.44 1.06 0.00 0.00 176.91 178.40 3mqw h ASP 72 N 0.93 0.00 -0.59 1.22 3.32 -1.95 -2.17 116.42 117.18 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3mqw h ASP 72 CO -0.19 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.62 3mqw n LYS 73 N -2.90 2.67 -2.24 3.56 5.02 -0.71 -4.95 118.16 118.60 3mqw n LYS 73 Ca -0.01 -2.46 -0.42 0.00 -2.02 0.00 0.00 58.31 53.41 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 -1.09 3.48 -0.16 -0.18 1.01 -0.82 -1.40 120.40 121.24 3mqw s VAL 74 Ca 0.42 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 3mqw s VAL 74 Cb 0.22 -3.69 -0.23 0.00 0.00 0.00 0.00 36.38 32.68 3mqw s VAL 74 CO 0.30 0.09 0.21 0.52 0.00 0.00 0.00 175.10 176.21 3mqw n VAL 75 N 3.86 1.69 -3.69 2.92 0.31 0.65 -4.51 118.33 119.56 3mqw n VAL 75 Ca 0.10 -0.57 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 3mqw n VAL 75 Cb 0.43 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.57 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 -2.53 0.55 0.32 5.55 2.47 -1.03 -1.12 119.74 123.96 3mqw s LYS 76 Ca -0.26 0.83 0.10 0.00 -1.56 0.00 0.00 55.97 55.08 3mqw s LYS 76 Cb 0.07 0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.55 3mqw s LYS 76 CO 0.71 -0.11 -0.10 0.95 0.16 0.00 0.00 175.35 176.96 3mqw s THR 77 N 0.88 2.43 -0.08 3.43 -4.23 0.04 -0.92 115.64 117.20 3mqw s THR 77 Ca -0.05 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.28 3mqw s THR 77 Cb -0.05 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3mqw s THR 77 CO -0.07 -0.26 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.73 3mqw s THR 78 N -2.55 1.20 -0.26 3.99 2.01 -0.70 -1.89 115.64 117.44 3mqw s THR 78 Ca 0.32 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3mqw s THR 78 Cb -0.00 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.44 3mqw s THR 78 CO 0.17 0.37 -0.07 0.00 -0.69 0.00 0.00 174.62 174.40 3mqw s LEU 80 N 1.26 3.50 0.10 0.00 1.02 0.41 -1.73 118.68 123.24 3mqw s LEU 80 Ca -0.02 0.01 0.09 0.00 0.02 0.00 0.00 54.13 54.23 3mqw s LEU 80 Cb -0.18 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3mqw s LEU 80 CO -0.05 0.24 -0.22 -0.76 0.02 0.00 0.00 176.35 175.58 3mqw s LEU 81 N -0.04 2.49 0.37 1.79 1.43 -0.20 -1.42 118.68 123.09 3mqw s LEU 81 Ca 0.03 -0.60 0.19 0.00 -1.03 0.00 0.00 54.13 52.72 3mqw s LEU 81 Cb -0.13 -1.40 0.62 0.00 0.03 0.00 0.00 46.19 45.32 3mqw s LEU 81 CO 0.02 0.20 1.70 0.00 0.23 0.00 0.00 176.35 178.51 3mqw h ALA 82 N 4.08 0.95 -3.13 4.21 0.00 -1.32 -0.04 119.26 124.02 3mqw h ALA 82 Ca -0.49 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 53.77 3mqw h ALA 82 Cb 1.16 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.53 3mqw h ALA 82 CO 0.44 0.48 -0.65 0.34 0.00 0.00 0.00 179.25 179.85 3mqw s ASP 83 N -6.42 0.75 0.57 0.00 -1.08 -1.26 -4.76 116.67 104.48 3mqw s ASP 83 Ca 0.01 0.29 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 3mqw s ASP 83 Cb 0.10 0.21 1.66 0.00 -1.46 0.00 0.00 42.92 43.43 3mqw s ASP 83 CO 0.69 -0.24 2.19 -0.29 0.52 0.00 0.00 175.17 178.04 3mqw h ILE 84 N 6.36 0.62 -0.00 4.11 6.09 -1.94 -1.20 117.51 131.54 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 0.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.36 3mqw h ILE 84 CO 0.16 0.00 0.01 0.11 -3.07 0.00 0.00 178.15 175.36 3mqw h LYS 85 N 0.00 0.00 -0.00 2.19 6.56 -2.00 -1.25 116.57 122.07 3mqw h LYS 85 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3mqw h LYS 85 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3mqw h LYS 85 CO -0.00 0.00 -0.03 -0.25 -2.06 0.00 0.00 179.45 177.11 3mqw n ASP 86 N -3.29 0.21 -0.10 0.86 8.00 -0.45 -4.38 116.55 117.40 3mqw n ASP 86 Ca -0.03 -0.65 -0.06 0.00 0.71 0.00 0.00 54.79 54.77 3mqw n ASP 86 Cb 0.09 -0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.29 -0.04 -0.42 1.24 3.57 -1.39 -1.07 116.94 119.12 3mqw h PHE 87 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3mqw h PHE 87 Cb 0.21 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3mqw h PHE 87 CO 0.00 -0.07 0.22 0.78 -2.23 0.00 0.00 178.31 177.01 3mqw h GLY 88 N 0.09 0.57 0.85 2.40 0.00 -1.83 0.26 103.07 105.40 3mqw h GLY 88 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3mqw h GLY 88 CO -0.29 0.12 -0.17 -2.08 0.00 0.00 0.00 176.54 174.11 3mqw h VAL 89 N 0.45 1.32 -0.26 4.60 2.07 -1.79 -2.67 116.25 119.95 3mqw h VAL 89 Ca 0.17 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3mqw h VAL 89 Cb 0.06 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3mqw h VAL 89 CO -0.11 0.40 0.05 0.15 0.02 0.00 0.00 177.57 178.09 3mqw h PHE 90 N 0.21 0.09 -0.69 1.57 3.57 -1.16 -2.97 116.94 117.56 3mqw h PHE 90 Ca 0.04 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3mqw h PHE 90 Cb 0.70 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 3mqw h PHE 90 CO 0.07 0.02 0.31 -0.91 -2.23 0.00 0.00 178.31 175.57 3mqw h ASN 91 N 0.15 0.36 -0.70 0.41 2.35 -0.75 -0.02 115.58 117.38 3mqw h ASN 91 Ca 0.12 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3mqw h ASN 91 Cb 0.12 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3mqw h ASN 91 CO -0.16 0.19 0.36 1.23 -1.65 0.00 0.00 177.43 177.40 3mqw h GLY 92 N 0.51 1.07 1.16 2.83 0.00 -1.33 0.46 103.07 107.76 3mqw h GLY 92 Ca 0.35 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 3mqw h GLY 92 CO -0.31 0.48 -0.44 -2.22 0.00 0.00 0.00 176.54 174.06 3mqw h ILE 93 N 0.97 1.27 -0.23 2.60 2.04 -1.27 -1.49 117.51 121.41 3mqw h ILE 93 Ca 0.24 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3mqw h ILE 93 Cb 0.08 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3mqw h ILE 93 CO -0.04 0.54 0.15 0.22 0.00 0.00 0.00 178.15 179.02 3mqw h TYR 94 N 0.73 0.28 -0.43 1.37 3.20 -0.83 -1.89 116.97 119.39 3mqw h TYR 94 Ca 0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3mqw h TYR 94 Cb 1.03 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3mqw h TYR 94 CO 0.06 0.18 0.26 0.00 -1.64 0.00 0.00 178.16 177.02 3mqw h ALA 95 N 1.08 0.55 -0.92 1.82 0.00 -0.81 -1.89 119.26 119.10 3mqw h ALA 95 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3mqw h ALA 95 Cb -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3mqw h ALA 95 CO -0.02 -0.06 0.59 1.49 0.00 0.00 0.00 179.25 181.25 3mqw h GLU 96 N 0.52 1.22 -0.35 0.00 4.57 -1.18 -1.71 114.58 117.65 3mqw h GLU 96 Ca 0.17 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3mqw h GLU 96 Cb 0.00 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 3mqw h GLU 96 CO -0.07 0.82 -0.20 0.00 -1.18 0.00 0.00 179.01 178.38 3mqw h ALA 97 N 1.33 0.99 -0.00 2.92 0.00 -0.99 -2.71 119.26 120.79 3mqw h ALA 97 Ca 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mqw h ALA 97 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3mqw h ALA 97 CO -0.07 0.60 -0.21 1.19 0.00 0.00 0.00 179.25 180.76 3mqw n PHE 98 N -4.13 0.00 -0.77 0.00 3.72 -0.74 -5.02 117.46 110.51 3mqw n PHE 98 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3mqw n PHE 98 Cb 0.40 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.37 3.07 1.02 1.37 0.00 -0.67 -1.53 105.19 109.82 3mqw n GLY 99 Ca 0.11 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 4.67 2.99 -4.74 1.61 3.02 -1.26 -4.81 115.26 116.73 3mqw n ASN 100 Ca 0.00 -1.95 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 3mqw n ASN 100 Cb 0.00 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.38 3.87 -0.50 3.10 2.46 -0.59 -5.02 115.29 117.22 3mqw s HIS 101 Ca 0.38 1.76 0.03 0.00 0.47 0.00 0.00 55.06 57.70 3mqw s HIS 101 Cb 0.21 -2.96 0.15 0.00 -0.13 0.00 0.00 32.58 29.85 3mqw s HIS 101 CO 0.28 0.33 0.32 0.15 -2.47 0.00 0.00 174.74 173.35 3mqw s LYS 102 N -0.51 1.57 0.93 2.88 1.02 -1.26 -4.83 119.74 119.54 3mqw s LYS 102 Ca 0.42 -2.39 -0.11 0.00 0.02 0.00 0.00 55.97 53.91 3mqw s LYS 102 Cb -0.24 -2.55 0.15 0.00 -0.52 0.00 0.00 37.83 34.68 3mqw s LYS 102 CO 0.29 -1.22 1.10 -2.14 -0.92 0.00 0.00 175.35 172.46 3mqw s PRO 103 N -0.18 0.93 0.79 -1.68 0.02 -1.26 -5.00 135.00 128.62 3mqw s PRO 103 Ca 0.22 1.21 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 3mqw s PRO 103 Cb -0.16 -1.74 0.07 0.00 0.02 0.00 0.00 34.50 32.69 3mqw s PRO 103 CO -0.07 -2.58 1.11 0.00 -0.33 0.00 0.00 177.00 175.13 3mqw s ALA 104 N -2.72 2.12 -0.03 -1.55 0.00 -0.27 -4.86 121.76 114.45 3mqw s ALA 104 Ca 0.65 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 3mqw s ALA 104 Cb -0.21 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3mqw s ALA 104 CO 0.59 -1.91 0.44 0.50 0.00 0.00 0.00 175.76 175.37 3mqw s ARG 105 N -4.75 0.79 0.01 0.00 3.52 -1.26 -0.78 118.95 116.49 3mqw s ARG 105 Ca 0.63 -0.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 3mqw s ARG 105 Cb -0.19 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 3mqw s ARG 105 CO 0.55 -0.23 -0.10 0.00 -0.81 0.00 0.00 175.30 174.71 3mqw s ALA 106 N -1.20 0.80 0.01 6.12 0.00 -0.79 -4.96 121.76 121.73 3mqw s ALA 106 Ca -0.12 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3mqw s ALA 106 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3mqw s ALA 106 CO 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 175.76 175.93 3mqw s PHE 108 N -0.48 -0.49 -0.20 0.00 -0.12 -0.71 -4.98 117.98 111.01 3mqw s PHE 108 Ca -0.03 0.24 -0.18 0.00 -0.05 0.00 0.00 56.93 56.91 3mqw s PHE 108 Cb -0.04 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 3mqw s PHE 108 CO -0.00 -0.89 0.52 0.00 -0.05 0.00 0.00 175.22 174.80 3mqw s ALA 109 N -3.75 3.54 0.69 1.99 0.00 -1.26 -1.04 121.76 121.94 3mqw s ALA 109 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3mqw s ALA 109 Cb -0.02 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.30 3mqw s ALA 109 CO -0.10 -0.44 1.08 0.00 0.00 0.00 0.00 175.76 176.30 3mqw s ALA 110 N 1.63 2.85 0.30 0.00 0.00 -0.03 -4.89 121.76 121.63 3mqw s ALA 110 Ca 0.24 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3mqw s ALA 110 Cb -0.15 -3.06 0.49 0.00 0.00 0.00 0.00 23.12 20.39 3mqw s ALA 110 CO 0.10 -1.10 1.82 0.00 0.00 0.00 0.00 175.76 176.58 3mqw h ALA 111 N -0.63 1.25 -2.25 0.00 0.00 -1.90 -3.43 119.26 112.31 3mqw h ALA 111 Ca -0.45 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.36 3mqw h ALA 111 Cb 1.24 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 3mqw h ALA 111 CO 0.62 0.50 0.51 0.00 0.00 0.00 0.00 179.25 180.88 3mqw s ALA 112 N -4.96 -1.81 0.21 0.00 0.00 -1.26 -5.02 121.76 108.92 3mqw s ALA 112 Ca -0.08 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.80 3mqw s ALA 112 Cb 0.15 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 3mqw s ALA 112 CO 0.78 -0.76 -0.14 -0.51 0.00 0.00 0.00 175.76 175.13 3mqw s LEU 113 N -2.57 2.55 0.41 0.00 1.43 -1.26 -5.03 118.68 114.21 3mqw s LEU 113 Ca 0.07 -1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 51.89 3mqw s LEU 113 Cb -0.01 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.43 3mqw s LEU 113 CO -0.07 -0.17 1.19 -2.65 0.23 0.00 0.00 176.35 174.88 3mqw n PRO 114 N -0.39 1.74 -1.84 1.29 -0.02 -1.26 -2.21 135.00 132.31 3mqw n PRO 114 Ca -0.08 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 3mqw n PRO 114 Cb 0.60 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.10 -1.53 -1.41 -0.52 5.02 -1.26 -1.58 118.16 116.98 3mqw n LYS 115 Ca 0.07 1.15 -0.14 0.00 -2.02 0.00 0.00 58.31 57.37 3mqw n LYS 115 Cb 0.39 -5.62 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 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 -0.57 1.45 3.63 0.72 0.00 -0.94 -4.98 105.19 104.50 3mqw n GLY 116 Ca -0.22 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 1.26 0.41 0.61 4.61 0.00 -0.62 -4.93 120.51 121.86 3mqw n ALA 117 Ca -0.14 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3mqw n ALA 117 Cb 0.47 -2.13 0.27 0.00 0.00 0.00 0.00 19.45 18.06 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 0.10 0.74 -3.64 0.00 4.77 -1.26 -4.36 117.00 113.36 3mqw n LEU 118 Ca 0.10 0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 3mqw n LEU 118 Cb 0.41 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3mqw n LEU 118 CO 0.55 -0.10 0.56 0.54 -1.33 0.00 0.00 177.39 177.61 3mqw s VAL 119 N -3.13 0.00 -0.01 4.08 0.11 -1.26 -1.03 120.40 119.16 3mqw s VAL 119 Ca 0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 3mqw s VAL 119 Cb 0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3mqw s VAL 119 CO 0.67 0.00 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.72 3mqw s GLU 120 N 0.70 0.19 -0.06 1.54 2.12 -0.51 -4.27 118.70 118.41 3mqw s GLU 120 Ca -0.02 -0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 3mqw s GLU 120 Cb -0.05 -0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.12 3mqw s GLU 120 CO -0.08 -0.00 0.01 0.08 -0.54 0.00 0.00 175.26 174.73 3mqw s VAL 121 N 0.24 0.27 0.36 3.70 1.01 -0.63 -0.44 120.40 124.91 3mqw s VAL 121 Ca -0.02 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3mqw s VAL 121 Cb -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3mqw s VAL 121 CO -0.01 0.23 0.19 -1.83 0.00 0.00 0.00 175.10 173.68 3mqw s GLU 122 N 1.79 2.39 0.19 2.72 -1.05 -0.72 -0.72 118.70 123.29 3mqw s GLU 122 Ca 0.02 -1.59 -0.23 0.00 -0.15 0.00 0.00 54.97 53.01 3mqw s GLU 122 Cb -0.13 -2.18 0.05 0.00 -0.44 0.00 0.00 34.13 31.43 3mqw s GLU 122 CO -0.04 0.02 0.77 0.00 0.95 0.00 0.00 175.26 176.96 3mqw s ILE 124 N -3.64 2.46 0.22 0.00 1.01 -0.10 -1.07 121.20 120.08 3mqw s ILE 124 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3mqw s ILE 124 Cb -0.03 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 3mqw s ILE 124 CO -0.01 0.57 -0.01 0.00 0.00 0.00 0.00 174.94 175.49 3mqw s ALA 125 N -0.18 1.75 0.08 9.38 0.00 0.06 -0.25 121.76 132.60 3mqw s ALA 125 Ca -0.02 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.23 3mqw s ALA 125 Cb -0.14 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3mqw s ALA 125 CO 0.03 -0.24 0.16 -0.08 0.00 0.00 0.00 175.76 175.64 3mqw s THR 126 N -3.42 4.99 -2.00 0.00 -1.32 -0.50 -0.24 115.64 113.15 3mqw s THR 126 Ca 0.27 -0.62 0.17 0.00 -1.21 0.00 0.00 61.69 60.30 3mqw s THR 126 Cb 0.05 -3.45 0.48 0.00 -1.51 0.00 0.00 72.50 68.07 3mqw s THR 126 CO 0.08 0.09 1.41 0.18 -2.21 0.00 0.00 174.62 174.16