#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqh s ALA 2 N 0.00 2.36 -0.25 -5.12 0.00 -1.26 -4.21 121.76 113.29 3mqh s ALA 2 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3mqh s ALA 2 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3mqh s ALA 2 CO 0.00 -1.52 0.51 0.99 0.00 0.00 0.00 175.76 175.74 3mqh s THR 3 N -2.61 5.08 -0.20 0.00 2.01 -0.11 -4.96 115.64 114.85 3mqh s THR 3 Ca 0.64 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.53 3mqh s THR 3 Cb -0.19 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.54 3mqh s THR 3 CO 0.49 0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 3mqh s ILE 4 N 2.13 1.69 0.27 1.82 1.01 -1.26 -0.69 121.20 126.17 3mqh s ILE 4 Ca 0.21 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3mqh s ILE 4 Cb -0.16 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.43 3mqh s ILE 4 CO 0.09 0.17 1.30 1.57 0.00 0.00 0.00 174.94 178.07 3mqh n HIS 5 N 4.67 2.00 0.20 3.97 -0.00 -0.06 -4.85 115.22 121.15 3mqh n HIS 5 Ca -0.15 0.53 0.18 0.00 -0.00 0.00 0.00 57.72 58.27 3mqh n HIS 5 Cb 0.46 -2.40 0.83 0.00 -0.00 0.00 0.00 29.99 28.88 3mqh n HIS 5 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mqh h PRO 6 N 3.36 0.00 0.00 1.57 0.11 -1.93 -0.31 132.00 134.80 3mqh h PRO 6 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mqh h PRO 6 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3mqh h PRO 6 CO 0.69 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 3mqh n THR 7 N -3.74 0.45 -1.75 -1.15 -2.24 -1.26 -4.86 114.28 99.74 3mqh n THR 7 Ca 0.02 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 3mqh n THR 7 Cb 0.35 -0.60 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3mqh n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqh s ALA 8 N -3.08 2.63 -0.25 6.98 0.00 -0.13 -3.89 121.76 124.02 3mqh s ALA 8 Ca 0.11 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3mqh s ALA 8 Cb 0.14 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 20.10 3mqh s ALA 8 CO 0.56 -1.13 -0.03 0.42 0.00 0.00 0.00 175.76 175.58 3mqh s ILE 9 N -2.70 1.52 -0.33 0.00 1.01 0.35 -4.93 121.20 116.12 3mqh s ILE 9 Ca 0.62 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 3mqh s ILE 9 Cb -0.16 -1.85 0.04 0.00 0.01 0.00 0.00 42.46 40.50 3mqh s ILE 9 CO 0.46 -0.20 0.07 -0.69 0.00 0.00 0.00 174.94 174.58 3mqh s VAL 10 N 1.38 3.54 0.50 2.92 1.01 -1.26 -1.47 120.40 127.02 3mqh s VAL 10 Ca -0.03 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 3mqh s VAL 10 Cb -0.19 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 3mqh s VAL 10 CO -0.08 -0.15 1.10 -1.81 0.00 0.00 0.00 175.10 174.16 3mqh s ASP 11 N 1.36 6.07 0.24 3.32 1.01 -0.38 -4.91 116.67 123.38 3mqh s ASP 11 Ca -0.03 2.11 -0.31 0.00 0.71 0.00 0.00 52.55 55.04 3mqh s ASP 11 Cb -0.19 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 41.02 3mqh s ASP 11 CO 0.02 -0.98 1.41 1.21 0.21 0.00 0.00 175.17 177.04 3mqh n GLU 12 N -0.96 2.04 0.00 8.23 4.07 -1.26 -2.15 120.64 130.61 3mqh n GLU 12 Ca 0.10 0.73 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 3mqh n GLU 12 Cb 0.51 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.51 3mqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mqh n GLY 13 N 2.11 2.26 3.77 8.31 0.00 -1.26 -4.46 105.19 115.92 3mqh n GLY 13 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3mqh n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 14 N -2.28 3.40 -0.18 4.61 0.00 -0.75 -4.73 121.76 121.83 3mqh s ALA 14 Ca 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 3mqh s ALA 14 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3mqh s ALA 14 CO 0.00 -0.83 -0.04 1.03 0.00 0.00 0.00 175.76 175.92 3mqh s ARG 15 N -2.07 3.55 -0.06 0.00 0.52 -0.48 -5.01 118.95 115.39 3mqh s ARG 15 Ca 0.54 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 3mqh s ARG 15 Cb -0.41 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.15 3mqh s ARG 15 CO 0.53 0.08 -0.06 0.42 0.02 0.00 0.00 175.30 176.29 3mqh s ILE 16 N 0.78 0.70 0.76 1.52 1.01 -1.25 -0.48 121.20 124.24 3mqh s ILE 16 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3mqh s ILE 16 Cb -0.15 -0.71 0.05 0.00 0.01 0.00 0.00 42.46 41.66 3mqh s ILE 16 CO 0.02 0.27 1.08 -0.83 0.00 0.00 0.00 174.94 175.48 3mqh s GLY 17 N 0.99 1.65 0.22 6.18 0.00 -0.15 -4.39 107.32 111.83 3mqh s GLY 17 Ca -0.10 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.31 3mqh s GLY 17 CO -0.00 0.34 0.75 0.00 0.00 0.00 0.00 173.10 174.19 3mqh n ALA 18 N -3.35 -1.87 -0.95 3.20 0.00 -1.26 -2.62 120.51 113.66 3mqh n ALA 18 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3mqh n ALA 18 Cb 0.55 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3mqh n ALA 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mqh n HIS 19 N 0.22 0.00 -2.58 0.00 8.25 -1.26 -1.27 115.22 118.58 3mqh n HIS 19 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.28 3mqh n HIS 19 Cb 0.27 -0.49 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 3mqh n HIS 19 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mqh s SER 20 N -2.26 6.51 -0.11 0.41 0.01 -1.08 -3.80 113.70 113.39 3mqh s SER 20 Ca 0.00 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.09 3mqh s SER 20 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 3mqh s SER 20 CO 0.00 -0.66 -0.13 -0.13 0.41 0.00 0.00 173.24 172.72 3mqh s ARG 21 N -3.36 2.03 -0.17 12.44 0.52 -0.06 -0.93 118.95 129.42 3mqh s ARG 21 Ca 0.65 -0.49 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 3mqh s ARG 21 Cb -0.13 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.55 3mqh s ARG 21 CO 0.20 -0.10 -0.14 0.42 0.02 0.00 0.00 175.30 175.70 3mqh s ILE 22 N 1.11 2.68 0.00 1.52 -1.09 0.13 -1.13 121.20 124.43 3mqh s ILE 22 Ca -0.05 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 3mqh s ILE 22 Cb -0.14 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 3mqh s ILE 22 CO -0.03 0.50 0.00 0.79 -1.23 0.00 0.00 174.94 174.97 3mqh n TRP 23 N 4.34 -0.83 -1.83 3.97 7.02 -0.59 -0.88 117.44 128.65 3mqh n TRP 23 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 3mqh n TRP 23 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.38 3mqh n TRP 23 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3mqh s HIS 24 N 1.49 2.91 -1.46 -5.99 3.76 -1.26 -3.32 115.29 111.42 3mqh s HIS 24 Ca 0.00 0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 3mqh s HIS 24 Cb 0.00 -4.03 0.06 0.00 1.11 0.00 0.00 32.58 29.72 3mqh s HIS 24 CO 0.00 -3.71 1.02 0.91 -0.85 0.00 0.00 174.74 172.11 3mqh n TRP 25 N 3.29 -2.42 -3.18 1.40 8.01 -1.25 -1.70 117.44 121.58 3mqh n TRP 25 Ca 0.12 0.93 -0.39 0.00 -1.31 0.00 0.00 57.50 56.85 3mqh n TRP 25 Cb 0.37 -4.31 -0.06 0.00 -2.01 0.00 0.00 31.31 25.30 3mqh n TRP 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mqh s VAL 26 N -3.34 4.71 -0.17 -0.99 1.01 -1.21 -3.32 120.40 117.09 3mqh s VAL 26 Ca 0.58 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.92 3mqh s VAL 26 Cb -0.28 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.14 3mqh s VAL 26 CO 0.80 0.50 -0.20 -2.28 0.00 0.00 0.00 175.10 173.92 3mqh s HIS 27 N -0.80 2.76 -0.14 5.22 2.46 -0.63 -0.50 115.29 123.66 3mqh s HIS 27 Ca 0.32 -1.52 0.00 0.00 0.47 0.00 0.00 55.06 54.32 3mqh s HIS 27 Cb -0.20 -1.90 -0.01 0.00 -0.13 0.00 0.00 32.58 30.34 3mqh s HIS 27 CO 0.20 -0.74 -0.14 0.42 -2.47 0.00 0.00 174.74 172.02 3mqh s ILE 28 N 1.16 2.86 0.68 0.89 1.01 -0.54 -1.34 121.20 125.91 3mqh s ILE 28 Ca 0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 3mqh s ILE 28 Cb -0.14 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3mqh s ILE 28 CO -0.09 0.52 1.06 0.00 0.00 0.00 0.00 174.94 176.42 3mqh h GLY 30 N -0.55 0.00 1.38 0.00 0.00 -1.78 -2.62 103.07 99.50 3mqh h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mqh h GLY 30 CO 0.63 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 177.40 3mqh n GLY 31 N 0.14 -1.41 3.76 4.60 0.00 -1.26 -1.80 105.19 109.22 3mqh n GLY 31 Ca 0.01 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3mqh n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 32 N -3.07 2.75 -0.14 4.61 0.00 -0.99 -4.68 121.76 120.25 3mqh s ALA 32 Ca 0.10 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3mqh s ALA 32 Cb 0.16 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3mqh s ALA 32 CO 0.66 -0.94 -0.16 -2.00 0.00 0.00 0.00 175.76 173.32 3mqh s GLU 33 N -3.06 2.42 -0.02 0.00 2.12 -0.97 -1.38 118.70 117.81 3mqh s GLU 33 Ca 0.71 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 55.47 3mqh s GLU 33 Cb -0.30 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.95 3mqh s GLU 33 CO 0.34 -0.17 -0.15 0.42 -0.54 0.00 0.00 175.26 175.16 3mqh s ILE 34 N 1.28 1.19 0.00 -3.70 1.01 0.37 -0.39 121.20 120.96 3mqh s ILE 34 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3mqh s ILE 34 Cb -0.14 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3mqh s ILE 34 CO -0.08 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3mqh n GLY 35 N 2.94 0.13 3.86 6.18 0.00 -0.24 -0.97 105.19 117.10 3mqh n GLY 35 Ca -0.16 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 3mqh n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqh s GLU 36 N 0.59 3.86 -1.20 1.61 2.02 -1.26 -1.99 118.70 122.34 3mqh s GLU 36 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.33 3mqh s GLU 36 Cb 0.00 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3mqh s GLU 36 CO 0.00 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.10 3mqh n GLY 37 N 0.33 1.22 3.89 -1.39 0.00 -0.40 -0.78 105.19 108.06 3mqh n GLY 37 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3mqh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s SER 39 N -4.26 0.74 -0.22 0.00 0.15 -0.55 -0.88 113.70 108.68 3mqh s SER 39 Ca 0.55 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.12 3mqh s SER 39 Cb -0.11 -0.36 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 3mqh s SER 39 CO 0.51 -0.06 -0.08 -0.76 1.20 0.00 0.00 173.24 174.05 3mqh s LEU 40 N 0.88 2.46 0.00 3.45 1.02 -0.28 -0.51 118.68 125.70 3mqh s LEU 40 Ca -0.11 -1.04 -0.16 0.00 0.02 0.00 0.00 54.13 52.85 3mqh s LEU 40 Cb -0.14 -1.22 0.22 0.00 0.02 0.00 0.00 46.19 45.07 3mqh s LEU 40 CO -0.00 -0.19 1.14 0.61 0.02 0.00 0.00 176.35 177.93 3mqh n GLY 41 N 4.67 -1.73 3.60 -3.19 0.00 -0.28 -1.54 105.19 106.71 3mqh n GLY 41 Ca -0.13 -1.66 -0.48 0.00 0.00 0.00 0.00 46.02 43.75 3mqh n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mqh n GLN 42 N -3.71 1.35 -1.28 1.61 7.27 -1.26 -2.03 117.38 119.34 3mqh n GLN 42 Ca 0.15 0.48 -0.09 0.00 0.07 0.00 0.00 57.00 57.60 3mqh n GLN 42 Cb 0.52 -2.01 -0.04 0.00 2.41 0.00 0.00 30.24 31.11 3mqh n GLN 42 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3mqh n ASN 43 N 2.03 -5.12 -4.72 1.69 5.15 -0.69 -1.51 115.26 112.09 3mqh n ASN 43 Ca 0.14 0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.98 3mqh n ASN 43 Cb 0.26 -3.45 0.06 0.00 -0.53 0.00 0.00 39.78 36.11 3mqh n ASN 43 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3mqh n VAL 44 N -2.40 4.37 -5.03 3.44 0.31 -0.86 -4.36 118.33 113.80 3mqh n VAL 44 Ca -0.09 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.45 3mqh n VAL 44 Cb 0.47 -1.53 -0.16 0.00 -0.91 0.00 0.00 33.84 31.71 3mqh n VAL 44 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3mqh s PHE 45 N -1.35 1.99 -0.08 3.52 5.36 -0.76 -1.61 117.98 125.05 3mqh s PHE 45 Ca 0.77 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 3mqh s PHE 45 Cb -0.40 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3mqh s PHE 45 CO 0.45 -0.13 -0.08 0.08 -1.46 0.00 0.00 175.22 174.07 3mqh s VAL 46 N -0.21 0.96 0.53 3.12 1.01 -0.45 -0.17 120.40 125.19 3mqh s VAL 46 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 3mqh s VAL 46 Cb -0.11 -0.95 0.13 0.00 0.00 0.00 0.00 36.38 35.45 3mqh s VAL 46 CO 0.02 0.34 0.62 0.61 0.00 0.00 0.00 175.10 176.68 3mqh n GLY 47 N 4.41 -1.80 0.11 4.51 0.00 -0.13 -1.04 105.19 111.24 3mqh n GLY 47 Ca -0.18 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 3mqh n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mqh h ASN 48 N -1.24 0.39 -1.12 1.61 2.35 -1.89 -3.33 115.58 112.34 3mqh h ASN 48 Ca -0.21 -0.88 -0.74 0.00 -0.55 0.00 0.00 56.30 53.92 3mqh h ASN 48 Cb 0.60 -0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.73 3mqh h ASN 48 CO 0.15 1.23 2.42 -1.14 -1.65 0.00 0.00 177.43 178.44 3mqh n ARG 49 N -4.27 4.26 -3.84 0.81 0.63 -1.26 -3.13 116.66 109.86 3mqh n ARG 49 Ca -0.12 -3.38 -0.13 0.00 -0.92 0.00 0.00 57.85 53.30 3mqh n ARG 49 Cb 0.69 -2.73 -0.15 0.00 0.45 0.00 0.00 32.46 30.73 3mqh n ARG 49 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 50 N -0.47 -0.02 -0.08 5.15 1.01 -1.26 -0.63 120.40 124.10 3mqh s VAL 50 Ca 0.51 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3mqh s VAL 50 Cb 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.52 3mqh s VAL 50 CO -0.07 0.03 -0.14 -0.13 0.00 0.00 0.00 175.10 174.79 3mqh s ARG 51 N 0.35 1.95 -0.07 2.72 0.52 -1.24 -2.28 118.95 120.89 3mqh s ARG 51 Ca -0.03 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3mqh s ARG 51 Cb -0.04 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 33.84 3mqh s ARG 51 CO -0.01 0.03 -0.16 0.42 0.02 0.00 0.00 175.30 175.60 3mqh s ILE 52 N 0.68 1.46 0.00 1.52 1.01 0.48 -0.60 121.20 125.74 3mqh s ILE 52 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3mqh s ILE 52 Cb -0.16 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3mqh s ILE 52 CO 0.04 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3mqh n GLY 53 N 3.67 -0.46 3.86 6.18 0.00 0.58 -1.08 105.19 117.94 3mqh n GLY 53 Ca -0.21 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3mqh n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqh s ASN 54 N -1.18 6.68 -1.34 1.61 0.01 -1.26 -2.09 114.94 117.37 3mqh s ASN 54 Ca 0.00 0.85 -0.09 0.00 -0.71 0.00 0.00 52.86 52.91 3mqh s ASN 54 Cb 0.00 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.47 3mqh s ASN 54 CO 0.00 0.16 1.17 -1.14 -1.51 0.00 0.00 177.10 175.79 3mqh n ARG 55 N 0.92 -7.88 -3.26 -0.60 0.63 0.04 -1.04 116.66 105.47 3mqh n ARG 55 Ca -0.08 0.82 -0.39 0.00 -0.92 0.00 0.00 57.85 57.28 3mqh n ARG 55 Cb 0.52 -5.85 -0.07 0.00 0.45 0.00 0.00 32.46 27.51 3mqh n ARG 55 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 56 N -3.32 5.11 -0.31 5.15 1.01 -1.26 -3.32 120.40 123.46 3mqh s VAL 56 Ca 0.57 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 63.40 3mqh s VAL 56 Cb -0.25 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3mqh s VAL 56 CO 0.72 0.18 0.08 -0.54 0.00 0.00 0.00 175.10 175.54 3mqh s LYS 57 N 1.64 2.94 -0.27 2.72 1.02 -0.82 -1.48 119.74 125.49 3mqh s LYS 57 Ca 0.23 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 3mqh s LYS 57 Cb -0.15 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3mqh s LYS 57 CO 0.09 -0.51 -0.00 0.42 -0.92 0.00 0.00 175.35 174.43 3mqh s ILE 58 N 1.46 3.26 0.97 2.17 1.01 0.33 -0.48 121.20 129.93 3mqh s ILE 58 Ca 0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3mqh s ILE 58 Cb -0.18 -2.70 0.20 0.00 0.01 0.00 0.00 42.46 39.79 3mqh s ILE 58 CO 0.02 0.11 1.28 -1.10 0.00 0.00 0.00 174.94 175.25 3mqh s GLN 59 N 1.37 0.56 0.57 2.79 -1.52 -0.40 -1.13 119.66 121.90 3mqh s GLN 59 Ca 0.00 -0.31 -0.19 0.00 -1.95 0.00 0.00 55.36 52.91 3mqh s GLN 59 Cb -0.17 -1.83 -0.06 0.00 -0.22 0.00 0.00 33.01 30.73 3mqh s GLN 59 CO -0.02 -2.48 0.94 0.09 -0.25 0.00 0.00 175.29 173.57 3mqh n ASN 60 N -3.84 0.74 -1.11 5.90 3.02 -1.26 -3.52 115.26 115.19 3mqh n ASN 60 Ca 0.14 0.84 -0.10 0.00 -0.03 0.00 0.00 54.58 55.42 3mqh n ASN 60 Cb 0.60 -1.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.38 3mqh n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mqh n ASN 61 N -0.48 -3.63 -4.63 6.41 3.02 -0.57 -1.15 115.26 114.23 3mqh n ASN 61 Ca 0.13 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 3mqh n ASN 61 Cb 0.46 -2.71 -0.10 0.00 -0.61 0.00 0.00 39.78 36.82 3mqh n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqh s VAL 62 N -2.49 4.79 -0.36 2.41 1.01 -1.23 -4.20 120.40 120.32 3mqh s VAL 62 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3mqh s VAL 62 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3mqh s VAL 62 CO 0.00 0.46 0.17 -0.44 0.00 0.00 0.00 175.10 175.29 3mqh s SER 63 N 0.40 5.60 -0.78 3.32 0.01 -1.26 -1.82 113.70 119.16 3mqh s SER 63 Ca 0.03 -0.99 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 3mqh s SER 63 Cb -0.12 -1.98 0.14 0.00 0.21 0.00 0.00 66.02 64.27 3mqh s SER 63 CO 0.00 -0.35 0.89 -0.69 0.41 0.00 0.00 173.24 173.50 3mqh s VAL 64 N 1.52 4.97 0.69 3.43 1.01 0.76 -4.22 120.40 128.55 3mqh s VAL 64 Ca 0.01 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 3mqh s VAL 64 Cb -0.19 -4.60 0.03 0.00 0.00 0.00 0.00 36.38 31.61 3mqh s VAL 64 CO 0.06 -1.26 1.04 -0.31 0.00 0.00 0.00 175.10 174.62 3mqh s TYR 65 N 2.10 3.20 0.26 5.22 2.02 -1.26 -0.96 117.35 127.93 3mqh s TYR 65 Ca 0.22 0.81 -0.28 0.00 -0.37 0.00 0.00 57.07 57.44 3mqh s TYR 65 Cb -0.13 -3.04 -0.15 0.00 -0.40 0.00 0.00 41.96 38.24 3mqh s TYR 65 CO -0.03 -1.18 0.87 -0.25 -1.57 0.00 0.00 175.55 173.38 3mqh n ASP 66 N -2.91 0.53 0.00 2.29 8.00 -1.26 -2.14 116.55 121.06 3mqh n ASP 66 Ca 0.06 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3mqh n ASP 66 Cb 0.58 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3mqh n ASP 66 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mqh n ASN 67 N 1.49 -2.08 -4.77 -2.24 4.13 0.19 -4.75 115.26 107.24 3mqh n ASN 67 Ca 0.12 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.03 3mqh n ASN 67 Cb 0.29 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 38.11 3mqh n ASN 67 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mqh s VAL 68 N -2.29 5.42 -0.10 2.41 1.01 -0.91 -1.31 120.40 124.64 3mqh s VAL 68 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3mqh s VAL 68 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3mqh s VAL 68 CO 0.00 0.48 -0.10 -0.36 0.00 0.00 0.00 175.10 175.12 3mqh s PHE 69 N 0.03 1.56 -0.22 5.22 0.08 -0.32 -3.59 117.98 120.74 3mqh s PHE 69 Ca 0.10 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.45 3mqh s PHE 69 Cb -0.11 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3mqh s PHE 69 CO -0.00 -0.43 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.03 3mqh s LEU 70 N 1.23 2.72 1.16 -0.37 1.43 0.23 -1.06 118.68 124.01 3mqh s LEU 70 Ca -0.03 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 51.97 3mqh s LEU 70 Cb -0.14 -1.54 0.28 0.00 0.03 0.00 0.00 46.19 44.82 3mqh s LEU 70 CO -0.03 -0.08 1.19 -1.61 0.23 0.00 0.00 176.35 176.05 3mqh s GLU 71 N 1.24 -0.91 0.65 1.70 2.02 -0.38 -0.31 118.70 122.72 3mqh s GLU 71 Ca 0.00 -0.30 -0.18 0.00 0.02 0.00 0.00 54.97 54.51 3mqh s GLU 71 Cb -0.16 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.41 3mqh s GLU 71 CO -0.09 -3.46 1.23 -0.25 0.02 0.00 0.00 175.26 172.71 3mqh n ASP 72 N -4.53 1.81 -1.53 -0.19 10.43 -1.26 -3.22 116.55 118.05 3mqh n ASP 72 Ca 0.16 0.81 -0.19 0.00 2.57 0.00 0.00 54.79 58.14 3mqh n ASP 72 Cb 0.60 -1.53 -0.07 0.00 1.84 0.00 0.00 41.12 41.96 3mqh n ASP 72 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3mqh n ASP 73 N -1.78 -5.27 -4.81 -2.24 8.00 -0.20 -1.19 116.55 109.05 3mqh n ASP 73 Ca 0.16 0.39 -0.34 0.00 0.71 0.00 0.00 54.79 55.71 3mqh n ASP 73 Cb 0.48 -4.40 -0.07 0.00 -0.02 0.00 0.00 41.12 37.11 3mqh n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqh s VAL 74 N -2.73 4.30 -0.16 2.53 1.01 -1.20 -3.32 120.40 120.83 3mqh s VAL 74 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.53 3mqh s VAL 74 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3mqh s VAL 74 CO 0.00 -0.20 -0.18 0.12 0.00 0.00 0.00 175.10 174.83 3mqh s PHE 75 N -2.03 2.53 -0.32 5.22 5.36 -0.36 -1.94 117.98 126.45 3mqh s PHE 75 Ca 0.60 -1.44 -0.06 0.00 -0.96 0.00 0.00 56.93 55.07 3mqh s PHE 75 Cb -0.12 -1.78 0.03 0.00 -0.34 0.00 0.00 43.02 40.81 3mqh s PHE 75 CO 0.16 -0.72 0.08 0.00 -1.46 0.00 0.00 175.22 173.28 3mqh s GLY 77 N 1.43 1.57 0.13 0.00 0.00 0.68 -1.28 107.32 109.85 3mqh s GLY 77 Ca -0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 44.72 43.86 3mqh s GLY 77 CO 0.02 0.10 1.66 -1.55 0.00 0.00 0.00 173.10 173.33 3mqh n PRO 78 N -4.02 2.27 -1.63 2.90 -0.04 -1.26 -2.09 135.00 131.12 3mqh n PRO 78 Ca 0.07 0.82 -0.19 0.00 -0.04 0.00 0.00 63.50 64.16 3mqh n PRO 78 Cb 0.59 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.35 3mqh n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mqh n SER 79 N 4.13 -5.25 -4.76 3.54 7.64 -0.30 -1.07 113.62 117.55 3mqh n SER 79 Ca 0.18 0.41 -0.30 0.00 1.01 0.00 0.00 58.87 60.16 3mqh n SER 79 Cb 0.30 -4.37 0.10 0.00 -1.01 0.00 0.00 64.21 59.23 3mqh n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mqh s MET 80 N -3.72 1.97 -0.08 1.43 0.23 -0.89 -3.90 119.30 114.33 3mqh s MET 80 Ca 0.00 0.99 -0.00 0.00 -1.03 0.00 0.00 55.69 55.65 3mqh s MET 80 Cb 0.00 -1.88 0.02 0.00 -1.53 0.00 0.00 34.83 31.45 3mqh s MET 80 CO 0.00 -1.79 -0.05 0.08 -2.03 0.00 0.00 175.02 171.23 3mqh s VAL 81 N -2.95 0.73 0.26 5.16 1.01 -0.16 -4.45 120.40 120.01 3mqh s VAL 81 Ca 0.62 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.52 3mqh s VAL 81 Cb -0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3mqh s VAL 81 CO 0.56 0.30 0.31 -0.36 0.00 0.00 0.00 175.10 175.91 3mqh s PHE 82 N 1.55 3.26 0.24 5.22 0.08 -1.26 -0.91 117.98 126.16 3mqh s PHE 82 Ca 0.00 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3mqh s PHE 82 Cb -0.13 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 3mqh s PHE 82 CO -0.05 0.41 0.05 0.95 -0.10 0.00 0.00 175.22 176.48 3mqh s THR 83 N -2.08 0.80 0.00 0.64 -4.23 -1.22 -4.90 115.64 104.66 3mqh s THR 83 Ca 0.35 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3mqh s THR 83 Cb -0.08 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3mqh s THR 83 CO 0.28 -0.17 0.00 -0.46 -0.54 0.00 0.00 174.62 173.72 3mqh n ASN 84 N -0.44 0.05 -4.36 3.99 0.23 -1.26 -4.44 115.26 109.02 3mqh n ASN 84 Ca -0.03 -0.02 -0.33 0.00 -0.53 0.00 0.00 54.58 53.67 3mqh n ASN 84 Cb 0.65 0.06 -0.15 0.00 -2.08 0.00 0.00 39.78 38.26 3mqh n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mqh s VAL 85 N -0.06 2.93 0.09 3.53 1.01 -1.26 -0.98 120.40 125.65 3mqh s VAL 85 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3mqh s VAL 85 Cb 0.00 -2.21 -0.17 0.00 0.00 0.00 0.00 36.38 34.00 3mqh s VAL 85 CO 0.00 0.53 1.28 0.22 0.00 0.00 0.00 175.10 177.14 3mqh h TYR 86 N 6.60 1.05 -2.08 5.22 5.03 -1.89 -3.39 116.97 127.50 3mqh h TYR 86 Ca -0.26 -0.48 -0.53 0.00 2.58 0.00 0.00 58.73 60.04 3mqh h TYR 86 Cb 1.21 -0.16 -0.40 0.00 1.55 0.00 0.00 36.73 38.93 3mqh h TYR 86 CO 0.50 1.31 -1.01 0.27 -1.32 0.00 0.00 178.16 177.90 3mqh n ASN 87 N -3.95 1.81 -4.77 -2.11 6.94 -1.26 -5.04 115.26 106.88 3mqh n ASN 87 Ca -0.08 -3.16 -0.39 0.00 -0.02 0.00 0.00 54.58 50.94 3mqh n ASN 87 Cb 0.75 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 37.56 3mqh n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3mqh s PRO 88 N -2.51 3.93 -0.03 -0.53 0.04 -1.26 -5.03 135.00 129.61 3mqh s PRO 88 Ca 0.41 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 3mqh s PRO 88 Cb 0.29 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 32.19 3mqh s PRO 88 CO -0.09 -0.49 0.02 1.03 0.04 0.00 0.00 177.00 177.50 3mqh s ARG 89 N -2.33 0.16 0.39 4.56 1.81 -1.26 -5.05 118.95 117.22 3mqh s ARG 89 Ca 0.58 0.14 0.09 0.00 -1.72 0.00 0.00 55.73 54.82 3mqh s ARG 89 Cb -0.35 -0.42 0.85 0.00 -0.45 0.00 0.00 34.95 34.58 3mqh s ARG 89 CO 0.45 -0.17 1.96 0.00 -0.68 0.00 0.00 175.30 176.86 3mqh h ALA 90 N 7.41 1.82 -0.01 2.13 0.00 -2.03 -1.66 119.26 126.93 3mqh h ALA 90 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mqh h ALA 90 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3mqh h ALA 90 CO 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 3mqh n ALA 91 N -2.47 2.65 -3.88 0.00 0.00 -1.26 -4.49 120.51 111.06 3mqh n ALA 91 Ca 0.11 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 3mqh n ALA 91 Cb 0.29 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 3mqh n ALA 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mqh s ILE 92 N -2.03 1.80 0.19 0.00 1.01 -0.62 -5.09 121.20 116.45 3mqh s ILE 92 Ca 0.43 -2.30 -0.31 0.00 0.00 0.00 0.00 60.65 58.47 3mqh s ILE 92 Cb 0.22 -2.31 -0.10 0.00 0.01 0.00 0.00 42.46 40.28 3mqh s ILE 92 CO 0.36 -0.71 1.54 -0.70 0.00 0.00 0.00 174.94 175.44 3mqh s GLU 93 N 0.79 4.22 -0.16 2.79 -6.30 -1.26 -4.47 118.70 114.30 3mqh s GLU 93 Ca 0.13 2.36 0.14 0.00 -2.50 0.00 0.00 54.97 55.10 3mqh s GLU 93 Cb -0.21 -3.14 0.42 0.00 0.00 0.00 0.00 34.13 31.20 3mqh s GLU 93 CO -0.10 -0.57 1.21 0.54 0.02 0.00 0.00 175.26 176.36 3mqh n ARG 94 N 3.56 1.25 0.28 4.30 1.74 -1.26 -4.77 116.66 121.76 3mqh n ARG 94 Ca 0.12 -3.03 0.14 0.00 -0.77 0.00 0.00 57.85 54.31 3mqh n ARG 94 Cb 0.39 -1.27 0.82 0.00 -1.02 0.00 0.00 32.46 31.38 3mqh n ARG 94 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3mqh h LYS 95 N 1.00 0.00 -0.00 5.56 1.57 -1.99 0.31 116.57 123.01 3mqh h LYS 95 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3mqh h LYS 95 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3mqh h LYS 95 CO 0.02 0.05 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.73 3mqh n SER 96 N -3.79 0.46 -0.72 0.86 3.41 -1.26 -4.04 113.62 108.54 3mqh n SER 96 Ca -0.03 -0.60 0.08 0.00 -0.26 0.00 0.00 58.87 58.06 3mqh n SER 96 Cb 0.15 -0.08 0.22 0.00 -0.26 0.00 0.00 64.21 64.25 3mqh n SER 96 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mqh n GLU 97 N -0.94 2.38 -1.80 4.33 1.02 0.09 -5.04 120.64 120.68 3mqh n GLU 97 Ca 0.15 -2.83 -0.40 0.00 -0.02 0.00 0.00 57.16 54.06 3mqh n GLU 97 Cb 0.27 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3mqh n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mqh s TYR 98 N -2.90 2.48 0.02 -0.32 2.02 -1.22 -4.79 117.35 112.64 3mqh s TYR 98 Ca 0.40 1.25 0.03 0.00 -0.37 0.00 0.00 57.07 58.37 3mqh s TYR 98 Cb 0.33 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 3mqh s TYR 98 CO 0.06 -2.95 -0.03 1.03 -1.57 0.00 0.00 175.55 172.09 3mqh s ARG 99 N -2.39 2.64 0.35 -0.62 0.52 -0.16 -5.03 118.95 114.26 3mqh s ARG 99 Ca 0.60 -0.70 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 3mqh s ARG 99 Cb -0.44 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.36 3mqh s ARG 99 CO 0.57 0.60 1.11 -0.51 0.02 0.00 0.00 175.30 177.09 3mqh s ASP 100 N -1.61 6.92 -0.22 0.23 1.01 -1.26 -4.26 116.67 117.47 3mqh s ASP 100 Ca 0.19 2.23 0.02 0.00 0.71 0.00 0.00 52.55 55.70 3mqh s ASP 100 Cb -0.11 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.25 3mqh s ASP 100 CO 0.10 -0.39 -0.13 -0.89 0.21 0.00 0.00 175.17 174.07 3mqh s THR 101 N -1.37 1.99 -0.20 -1.27 2.01 -0.43 -0.81 115.64 115.57 3mqh s THR 101 Ca 0.52 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 3mqh s THR 101 Cb -0.29 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3mqh s THR 101 CO 0.37 0.16 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 3mqh s ILE 102 N 1.23 3.69 -0.24 1.82 1.01 -1.15 -1.17 121.20 126.39 3mqh s ILE 102 Ca -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 3mqh s ILE 102 Cb -0.17 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3mqh s ILE 102 CO -0.08 0.43 -0.07 -0.69 0.00 0.00 0.00 174.94 174.54 3mqh s VAL 103 N 1.10 2.85 0.71 2.92 1.01 -0.22 -0.55 120.40 128.22 3mqh s VAL 103 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3mqh s VAL 103 Cb -0.15 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.88 3mqh s VAL 103 CO 0.01 0.23 1.01 -0.13 0.00 0.00 0.00 175.10 176.22 3mqh s ARG 104 N 1.33 2.08 0.19 2.72 1.81 0.15 -1.25 118.95 125.98 3mqh s ARG 104 Ca 0.01 -0.38 -0.33 0.00 -1.72 0.00 0.00 55.73 53.31 3mqh s ARG 104 Cb -0.16 -2.19 -0.14 0.00 -0.45 0.00 0.00 34.95 32.01 3mqh s ARG 104 CO -0.05 -1.29 1.50 0.94 -0.68 0.00 0.00 175.30 175.72 3mqh n GLN 105 N -2.92 2.06 -0.17 3.54 7.27 -1.26 -1.82 117.38 124.08 3mqh n GLN 105 Ca 0.09 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.90 3mqh n GLN 105 Cb 0.60 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.79 3mqh n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mqh n GLY 106 N 2.88 2.05 3.75 1.69 0.00 -0.33 -0.82 105.19 114.40 3mqh n GLY 106 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3mqh n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 107 N -2.96 2.39 -0.12 4.61 0.00 -0.76 -4.02 121.76 120.90 3mqh s ALA 107 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3mqh s ALA 107 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3mqh s ALA 107 CO 0.00 -1.39 -0.22 0.99 0.00 0.00 0.00 175.76 175.13 3mqh s THR 108 N -2.04 2.15 -0.35 0.00 2.01 -0.07 -1.22 115.64 116.13 3mqh s THR 108 Ca 0.72 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 3mqh s THR 108 Cb -0.25 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.47 3mqh s THR 108 CO 0.40 0.55 0.11 -0.76 -0.69 0.00 0.00 174.62 174.23 3mqh s LEU 109 N 0.52 4.46 0.87 4.42 1.43 0.12 -0.69 118.68 129.82 3mqh s LEU 109 Ca -0.14 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 51.48 3mqh s LEU 109 Cb -0.17 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.33 3mqh s LEU 109 CO 0.05 -0.37 1.11 -0.83 0.23 0.00 0.00 176.35 176.53 3mqh s GLY 110 N 1.53 1.66 -0.21 -3.19 0.00 0.93 -0.23 107.32 107.81 3mqh s GLY 110 Ca -0.00 0.30 -0.43 0.00 0.00 0.00 0.00 44.72 44.59 3mqh s GLY 110 CO 0.00 0.72 1.29 0.00 0.00 0.00 0.00 173.10 175.11 3mqh n ALA 111 N -3.94 -2.66 -1.56 3.20 0.00 -1.26 -1.71 120.51 112.58 3mqh n ALA 111 Ca 0.09 0.55 -0.19 0.00 0.00 0.00 0.00 53.44 53.90 3mqh n ALA 111 Cb 0.53 -1.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 3mqh n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mqh n ASN 112 N 2.55 -5.24 -4.82 0.00 5.15 -0.23 -0.42 115.26 112.25 3mqh n ASN 112 Ca 0.25 0.45 -0.29 0.00 -0.60 0.00 0.00 54.58 54.38 3mqh n ASN 112 Cb 0.02 -4.37 0.11 0.00 -0.53 0.00 0.00 39.78 35.01 3mqh n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mqh s THR 114 N -3.30 0.48 -0.28 0.00 2.01 -0.13 -0.98 115.64 113.45 3mqh s THR 114 Ca 0.62 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 3mqh s THR 114 Cb -0.14 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 71.95 3mqh s THR 114 CO 0.53 0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.93 3mqh s VAL 115 N 0.28 3.20 0.04 3.82 1.01 -0.09 -0.78 120.40 127.89 3mqh s VAL 115 Ca -0.03 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3mqh s VAL 115 Cb -0.07 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 3mqh s VAL 115 CO -0.00 0.07 1.41 -0.69 0.00 0.00 0.00 175.10 175.90 3mqh s VAL 116 N 1.35 3.55 0.54 2.92 1.01 -0.03 -3.38 120.40 126.35 3mqh s VAL 116 Ca -0.01 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.77 3mqh s VAL 116 Cb -0.18 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3mqh s VAL 116 CO -0.02 0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.22 3mqh n GLY 118 N 1.08 2.44 3.77 0.00 0.00 0.01 -4.88 105.19 107.62 3mqh n GLY 118 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3mqh n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 119 N -2.43 3.19 -0.16 4.61 0.00 -1.17 -4.88 121.76 120.92 3mqh s ALA 119 Ca 0.00 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 3mqh s ALA 119 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3mqh s ALA 119 CO 0.00 -0.39 0.03 0.99 0.00 0.00 0.00 175.76 176.39 3mqh s THR 120 N -1.42 4.53 -0.25 0.00 2.01 -1.26 -2.91 115.64 116.34 3mqh s THR 120 Ca 0.55 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 3mqh s THR 120 Cb -0.29 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3mqh s THR 120 CO 0.37 0.49 0.08 -0.63 -0.69 0.00 0.00 174.62 174.24 3mqh s ILE 121 N 0.21 4.47 0.91 1.82 -1.09 0.29 -1.19 121.20 126.62 3mqh s ILE 121 Ca 0.02 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 3mqh s ILE 121 Cb -0.13 -3.09 0.13 0.00 -1.58 0.00 0.00 42.46 37.80 3mqh s ILE 121 CO 0.01 0.34 1.10 -0.83 -1.23 0.00 0.00 174.94 174.33 3mqh s GLY 122 N 1.52 1.60 0.14 6.18 0.00 0.59 -0.68 107.32 116.67 3mqh s GLY 122 Ca 0.06 -0.25 -0.34 0.00 0.00 0.00 0.00 44.72 44.20 3mqh s GLY 122 CO 0.04 0.27 1.61 0.54 0.00 0.00 0.00 173.10 175.57 3mqh n ARG 123 N -3.85 2.17 -1.35 2.90 1.74 -1.26 -1.45 116.66 115.55 3mqh n ARG 123 Ca 0.06 0.78 -0.12 0.00 -0.77 0.00 0.00 57.85 57.81 3mqh n ARG 123 Cb 0.57 -2.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.39 3mqh n ARG 123 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mqh n TYR 124 N 3.71 0.00 -0.72 -1.55 4.01 -0.00 -0.80 117.16 121.81 3mqh n TYR 124 Ca 0.17 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.63 3mqh n TYR 124 Cb 0.29 -2.67 0.24 0.00 -0.31 0.00 0.00 39.34 36.89 3mqh n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqh s ALA 125 N -2.14 -0.14 -0.18 -0.72 0.00 -0.53 -3.88 121.76 114.16 3mqh s ALA 125 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 3mqh s ALA 125 Cb 0.00 -3.12 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3mqh s ALA 125 CO 0.00 -3.76 0.20 0.12 0.00 0.00 0.00 175.76 172.33 3mqh s PHE 126 N -2.61 -0.22 -0.38 0.00 5.36 0.14 -0.89 117.98 119.37 3mqh s PHE 126 Ca 0.68 0.24 -0.16 0.00 -0.96 0.00 0.00 56.93 56.73 3mqh s PHE 126 Cb -0.20 -0.37 0.01 0.00 -0.34 0.00 0.00 43.02 42.11 3mqh s PHE 126 CO 0.61 -0.55 0.38 0.08 -1.46 0.00 0.00 175.22 174.28 3mqh s VAL 127 N 2.31 5.15 0.79 3.12 1.01 0.13 -1.57 120.40 131.34 3mqh s VAL 127 Ca 0.06 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3mqh s VAL 127 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3mqh s VAL 127 CO -0.11 -0.26 0.70 0.61 0.00 0.00 0.00 175.10 176.05 3mqh n GLY 128 N 5.05 -1.17 3.62 4.51 0.00 -0.15 -0.05 105.19 117.01 3mqh n GLY 128 Ca -0.09 -0.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 3mqh n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh n ALA 129 N -2.85 0.19 -0.83 4.61 0.00 -1.26 -2.03 120.51 118.34 3mqh n ALA 129 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3mqh n ALA 129 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3mqh n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqh n GLY 130 N 1.91 0.44 3.74 0.00 0.00 0.44 -4.84 105.19 106.88 3mqh n GLY 130 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3mqh n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 131 N -2.23 2.01 -0.26 4.61 0.00 -0.86 -4.74 121.76 120.28 3mqh s ALA 131 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3mqh s ALA 131 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.90 3mqh s ALA 131 CO 0.00 -2.03 -0.04 0.08 0.00 0.00 0.00 175.76 173.77 3mqh s VAL 132 N -2.86 1.81 -0.22 0.00 1.01 -0.57 -0.95 120.40 118.62 3mqh s VAL 132 Ca 0.62 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3mqh s VAL 132 Cb -0.18 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3mqh s VAL 132 CO 0.57 -0.20 0.66 -0.69 0.00 0.00 0.00 175.10 175.44 3mqh s VAL 133 N 1.23 4.98 -0.07 2.92 1.01 0.04 0.06 120.40 130.57 3mqh s VAL 133 Ca -0.03 1.23 0.11 0.00 0.00 0.00 0.00 61.98 63.29 3mqh s VAL 133 Cb -0.19 -3.97 0.20 0.00 0.00 0.00 0.00 36.38 32.42 3mqh s VAL 133 CO -0.07 0.06 1.10 -0.46 0.00 0.00 0.00 175.10 175.73 3mqh n ASN 134 N 5.36 1.23 -3.73 3.32 6.94 -1.26 -0.86 115.26 126.27 3mqh n ASN 134 Ca -0.00 -2.63 -0.10 0.00 -0.02 0.00 0.00 54.58 51.83 3mqh n ASN 134 Cb 0.49 -0.34 -0.04 0.00 -2.36 0.00 0.00 39.78 37.53 3mqh n ASN 134 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mqh s LYS 135 N -1.51 1.30 0.54 -3.83 -2.85 -1.26 -4.99 119.74 107.14 3mqh s LYS 135 Ca 0.20 -0.85 -0.21 0.00 -1.00 0.00 0.00 55.97 54.11 3mqh s LYS 135 Cb 0.18 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.39 3mqh s LYS 135 CO -0.01 -0.54 1.06 -0.25 0.10 0.00 0.00 175.35 175.71 3mqh n ASP 136 N -0.31 1.30 -4.23 0.03 8.00 -1.26 -4.76 116.55 115.32 3mqh n ASP 136 Ca -0.11 0.90 -0.35 0.00 0.71 0.00 0.00 54.79 55.95 3mqh n ASP 136 Cb 0.63 -1.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.17 3mqh n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqh s VAL 137 N -1.41 2.98 0.79 2.53 1.01 -0.33 -4.99 120.40 120.99 3mqh s VAL 137 Ca 0.71 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3mqh s VAL 137 Cb -0.45 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.56 3mqh s VAL 137 CO 0.50 0.29 1.22 -2.84 0.00 0.00 0.00 175.10 174.27 3mqh s PRO 138 N 1.37 1.70 0.16 2.72 0.02 -1.26 -0.30 135.00 139.41 3mqh s PRO 138 Ca 0.02 1.80 -0.33 0.00 0.02 0.00 0.00 61.00 62.51 3mqh s PRO 138 Cb -0.16 -1.78 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 3mqh s PRO 138 CO -0.05 -2.18 1.17 -0.25 -0.33 0.00 0.00 177.00 175.37 3mqh n ASP 139 N -3.18 1.33 0.00 2.53 8.00 -1.26 -0.99 116.55 122.98 3mqh n ASP 139 Ca 0.14 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3mqh n ASP 139 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3mqh n ASP 139 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mqh n PHE 140 N 1.58 0.00 -2.57 1.24 3.01 0.02 -4.58 117.46 116.16 3mqh n PHE 140 Ca 0.15 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.22 3mqh n PHE 140 Cb 0.24 -0.75 -0.05 0.00 -0.01 0.00 0.00 39.48 38.91 3mqh n PHE 140 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mqh s ALA 141 N -2.39 3.36 -0.35 4.37 0.00 -0.16 -0.20 121.76 126.39 3mqh s ALA 141 Ca 0.00 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 3mqh s ALA 141 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3mqh s ALA 141 CO 0.00 -0.04 0.24 -1.17 0.00 0.00 0.00 175.76 174.79 3mqh s LEU 142 N -1.46 4.58 -0.02 0.00 2.96 -0.65 -0.68 118.68 123.40 3mqh s LEU 142 Ca 0.44 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 3mqh s LEU 142 Cb -0.29 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 3mqh s LEU 142 CO 0.37 -0.27 -0.25 0.68 -1.32 0.00 0.00 176.35 175.56 3mqh s VAL 143 N 1.70 2.13 0.05 1.68 -7.23 -0.61 -1.00 120.40 117.12 3mqh s VAL 143 Ca 0.06 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3mqh s VAL 143 Cb -0.18 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 3mqh s VAL 143 CO 0.10 0.58 0.00 0.68 -0.31 0.00 0.00 175.10 176.15 3mqh s VAL 144 N -0.62 0.19 0.00 1.32 -7.23 -0.46 -0.97 120.40 112.63 3mqh s VAL 144 Ca 0.10 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3mqh s VAL 144 Cb -0.10 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3mqh s VAL 144 CO -0.01 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 3mqh n GLY 145 N 0.38 2.00 3.04 2.32 0.00 -1.26 -0.83 105.19 110.84 3mqh n GLY 145 Ca -0.16 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 3mqh n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqh s VAL 146 N -2.06 2.35 0.80 1.61 1.01 -1.26 -1.51 120.40 121.35 3mqh s VAL 146 Ca 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 59.69 3mqh s VAL 146 Cb 0.00 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.80 3mqh s VAL 146 CO 0.00 -0.49 1.12 -2.16 0.00 0.00 0.00 175.10 173.57 3mqh s PRO 147 N 0.96 2.04 0.25 2.72 0.04 -1.26 -5.02 135.00 134.73 3mqh s PRO 147 Ca 0.07 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 3mqh s PRO 147 Cb -0.19 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3mqh s PRO 147 CO -0.07 -1.61 1.21 0.00 0.04 0.00 0.00 177.00 176.57 3mqh s ALA 148 N -3.30 3.46 0.09 8.56 0.00 0.11 -4.85 121.76 125.82 3mqh s ALA 148 Ca 0.61 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.66 3mqh s ALA 148 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3mqh s ALA 148 CO 0.53 -0.39 -0.15 1.03 0.00 0.00 0.00 175.76 176.77 3mqh s ARG 149 N -0.96 0.91 -0.00 0.00 1.81 -0.01 -4.85 118.95 115.84 3mqh s ARG 149 Ca 0.50 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.16 3mqh s ARG 149 Cb -0.35 -0.94 -0.03 0.00 -0.45 0.00 0.00 34.95 33.18 3mqh s ARG 149 CO 0.42 0.20 0.96 -1.14 -0.68 0.00 0.00 175.30 175.07 3mqh s GLN 150 N -1.96 4.55 0.00 3.54 0.74 -1.26 -1.35 119.66 123.92 3mqh s GLN 150 Ca 0.02 1.39 0.03 0.00 0.05 0.00 0.00 55.36 56.84 3mqh s GLN 150 Cb -0.09 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 3mqh s GLN 150 CO 0.03 -0.04 0.15 0.44 -0.55 0.00 0.00 175.29 175.32 3mqh n ILE 151 N 3.90 0.00 -3.47 -2.34 -5.35 -0.17 -4.99 119.36 106.94 3mqh n ILE 151 Ca 0.06 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3mqh n ILE 151 Cb 0.51 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3mqh n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mqh n GLY 152 N 1.00 0.99 3.07 3.28 0.00 -1.18 -5.00 105.19 107.34 3mqh n GLY 152 Ca 0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 3mqh n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mqh s TRP 153 N -3.66 1.16 -0.14 1.61 0.52 -1.26 -1.64 118.94 115.54 3mqh s TRP 153 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 3mqh s TRP 153 Cb 0.00 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.54 3mqh s TRP 153 CO 0.00 -0.05 -0.11 1.41 0.02 0.00 0.00 176.95 178.22 3mqh s MET 154 N -0.16 3.43 0.97 4.98 1.75 0.72 -1.04 119.30 129.96 3mqh s MET 154 Ca 0.02 -0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 53.69 3mqh s MET 154 Cb -0.06 -2.69 0.17 0.00 2.84 0.00 0.00 34.83 35.09 3mqh s MET 154 CO -0.00 0.21 1.08 -1.54 -0.65 0.00 0.00 175.02 174.12 3mqh s SER 155 N 0.38 2.71 0.27 1.11 1.04 -0.48 -4.70 113.70 114.03 3mqh s SER 155 Ca -0.09 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.89 3mqh s SER 155 Cb -0.16 -2.21 0.60 0.00 0.10 0.00 0.00 66.02 64.35 3mqh s SER 155 CO 0.05 -3.13 1.73 0.03 0.98 0.00 0.00 173.24 172.90 3mqh h ARG 156 N -1.89 0.48 -0.80 4.02 3.08 -1.90 -0.29 114.38 117.09 3mqh h ARG 156 Ca -0.52 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 59.68 3mqh h ARG 156 Cb 1.30 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 3mqh h ARG 156 CO 0.52 0.32 0.54 1.25 -1.07 0.00 0.00 179.97 181.53 3mqh h HIS 157 N 0.49 0.43 0.00 3.04 2.76 -1.99 -3.46 115.15 116.42 3mqh h HIS 157 Ca 0.49 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 3mqh h HIS 157 Cb 0.82 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3mqh h HIS 157 CO -0.13 0.14 0.00 0.41 -1.30 0.00 0.00 177.93 177.06 3mqh n GLY 158 N -1.54 1.41 3.10 5.26 0.00 -0.12 -5.13 105.19 108.18 3mqh n GLY 158 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3mqh n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqh s GLU 159 N -0.40 0.68 0.41 1.61 2.12 -1.26 -4.91 118.70 116.95 3mqh s GLU 159 Ca 0.00 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.30 3mqh s GLU 159 Cb 0.00 -0.58 -0.09 0.00 0.26 0.00 0.00 34.13 33.72 3mqh s GLU 159 CO 0.00 0.13 1.31 -0.65 -0.54 0.00 0.00 175.26 175.51 3mqh s GLN 160 N -1.44 3.93 0.27 4.30 -0.21 -1.26 -1.39 119.66 123.86 3mqh s GLN 160 Ca -0.05 2.17 -0.20 0.00 0.02 0.00 0.00 55.36 57.31 3mqh s GLN 160 Cb -0.09 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.10 3mqh s GLN 160 CO 0.01 -0.53 0.77 -0.51 -2.12 0.00 0.00 175.29 172.91 3mqh s LEU 161 N -2.47 4.27 -1.32 2.90 1.43 -0.20 -4.84 118.68 118.44 3mqh s LEU 161 Ca 0.57 1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 3mqh s LEU 161 Cb -0.38 -3.79 0.11 0.00 0.03 0.00 0.00 46.19 42.16 3mqh s LEU 161 CO 0.49 -0.05 1.86 -0.67 0.23 0.00 0.00 176.35 178.21 3mqh n ASP 162 N 0.42 4.73 -3.73 2.29 -0.08 -1.26 -4.67 116.55 114.25 3mqh n ASP 162 Ca -0.00 -2.96 -0.15 0.00 -1.51 0.00 0.00 54.79 50.16 3mqh n ASP 162 Cb 0.51 -1.61 -0.15 0.00 2.34 0.00 0.00 41.12 42.21 3mqh n ASP 162 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3mqh s LEU 163 N 1.85 0.56 0.80 -2.67 2.96 -1.26 -4.74 118.68 116.18 3mqh s LEU 163 Ca 0.46 0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 3mqh s LEU 163 Cb 0.07 0.22 0.08 0.00 0.50 0.00 0.00 46.19 47.06 3mqh s LEU 163 CO -0.01 -0.17 1.12 -2.16 -1.32 0.00 0.00 176.35 173.81 3mqh s PRO 164 N 1.48 1.90 0.28 0.98 0.04 -1.26 -4.75 135.00 133.67 3mqh s PRO 164 Ca -0.05 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 3mqh s PRO 164 Cb -0.12 -1.84 0.41 0.00 0.04 0.00 0.00 34.50 32.99 3mqh s PRO 164 CO -0.05 -1.95 1.79 -0.07 0.04 0.00 0.00 177.00 176.76 3mqh h LEU 165 N -1.15 0.67 -9.25 -3.56 3.38 -1.96 -3.46 115.31 99.99 3mqh h LEU 165 Ca -0.44 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 3mqh h LEU 165 Cb 1.25 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 3mqh h LEU 165 CO 0.48 0.75 -0.75 -0.13 0.09 0.00 0.00 178.44 178.89 3mqh s ARG 166 N -4.96 1.77 1.78 1.13 1.81 -1.26 -4.52 118.95 114.71 3mqh s ARG 166 Ca -0.09 -1.68 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 3mqh s ARG 166 Cb 0.15 -1.85 0.00 0.00 -0.45 0.00 0.00 34.95 32.80 3mqh s ARG 166 CO 0.80 0.34 0.00 0.41 -0.68 0.00 0.00 175.30 176.17 3mqh n GLY 167 N -0.56 -0.32 3.25 -3.53 0.00 -1.26 -4.71 105.19 98.06 3mqh n GLY 167 Ca -0.06 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3mqh n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqh s ASN 168 N -4.00 3.10 0.19 1.61 0.01 -1.26 -0.87 114.94 113.72 3mqh s ASN 168 Ca 0.00 -0.52 -0.23 0.00 -0.71 0.00 0.00 52.86 51.40 3mqh s ASN 168 Cb 0.00 -1.05 0.07 0.00 0.41 0.00 0.00 41.25 40.68 3mqh s ASN 168 CO 0.00 0.21 0.99 0.00 -1.51 0.00 0.00 177.10 176.80 3mqh s ALA 169 N 0.02 -1.54 0.05 0.60 0.00 -0.71 -4.98 121.76 115.18 3mqh s ALA 169 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3mqh s ALA 169 Cb -0.15 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 3mqh s ALA 169 CO 0.06 -1.05 -0.06 -1.21 0.00 0.00 0.00 175.76 173.50 3mqh s GLU 170 N -2.59 0.54 0.17 0.00 2.02 -1.26 -0.33 118.70 117.25 3mqh s GLU 170 Ca 0.18 -0.88 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 3mqh s GLU 170 Cb -0.02 -0.11 0.02 0.00 0.10 0.00 0.00 34.13 34.12 3mqh s GLU 170 CO 0.05 -0.01 0.42 0.00 0.02 0.00 0.00 175.26 175.74 3mqh s ALA 171 N -2.13 -0.65 -0.02 5.21 0.00 -0.80 -4.88 121.76 118.49 3mqh s ALA 171 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3mqh s ALA 171 Cb -0.05 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3mqh s ALA 171 CO -0.02 -0.72 -0.17 0.99 0.00 0.00 0.00 175.76 175.84 3mqh s THR 172 N -3.88 1.39 0.02 0.00 2.01 -1.26 -0.76 115.64 113.15 3mqh s THR 172 Ca 0.10 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3mqh s THR 172 Cb 0.01 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3mqh s THR 172 CO -0.04 0.40 1.20 0.00 -0.69 0.00 0.00 174.62 175.48 3mqh h PRO 174 N 7.05 0.00 0.07 0.00 0.13 -1.95 0.15 132.00 137.45 3mqh h PRO 174 Ca -0.39 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 3mqh h PRO 174 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3mqh h PRO 174 CO 0.83 0.00 -1.18 0.45 -0.23 0.00 0.00 178.00 177.88 3mqh h HIS 175 N 0.00 0.28 0.00 1.56 3.86 -1.98 -3.39 115.15 115.48 3mqh h HIS 175 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3mqh h HIS 175 Cb 0.67 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.13 3mqh h HIS 175 CO 0.00 1.17 -0.66 0.25 0.86 0.00 0.00 177.93 179.55 3mqh n THR 176 N -3.44 0.00 -0.97 2.45 -2.24 -1.21 -5.01 114.28 103.86 3mqh n THR 176 Ca -0.06 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3mqh n THR 176 Cb 0.99 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3mqh n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqh n GLY 177 N 1.95 0.34 3.69 3.38 0.00 0.53 -5.00 105.19 110.08 3mqh n GLY 177 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3mqh n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mqh n GLU 178 N -1.46 2.28 -3.75 1.61 1.02 -1.25 -4.67 120.64 114.42 3mqh n GLU 178 Ca 0.00 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.58 3mqh n GLU 178 Cb 0.17 -2.54 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 3mqh n GLU 178 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mqh s ARG 179 N -0.11 3.63 0.02 3.49 0.52 -1.26 -0.68 118.95 124.57 3mqh s ARG 179 Ca 0.69 0.03 0.09 0.00 -0.52 0.00 0.00 55.73 56.02 3mqh s ARG 179 Cb -0.60 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 3mqh s ARG 179 CO 0.46 0.72 -0.26 0.71 0.02 0.00 0.00 175.30 176.95 3mqh s TYR 180 N -0.94 2.33 -0.08 -0.53 1.51 0.06 -0.37 117.35 119.33 3mqh s TYR 180 Ca 0.17 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3mqh s TYR 180 Cb -0.13 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3mqh s TYR 180 CO 0.06 0.06 -0.19 0.42 -1.11 0.00 0.00 175.55 174.79 3mqh s ILE 181 N -0.73 1.67 -0.19 2.71 1.01 0.21 -1.90 121.20 123.99 3mqh s ILE 181 Ca 0.11 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3mqh s ILE 181 Cb -0.10 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3mqh s ILE 181 CO 0.01 0.47 0.06 -0.22 0.00 0.00 0.00 174.94 175.27 3mqh s LEU 182 N 0.40 3.81 -0.22 2.97 2.96 0.56 -0.92 118.68 128.23 3mqh s LEU 182 Ca -0.15 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3mqh s LEU 182 Cb -0.16 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.62 3mqh s LEU 182 CO 0.06 0.16 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.34 3mqh s THR 183 N 0.43 1.19 -1.31 3.68 2.01 0.13 -1.74 115.64 120.03 3mqh s THR 183 Ca 0.03 -0.98 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 3mqh s THR 183 Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3mqh s THR 183 CO 0.00 -0.12 0.27 0.47 -0.69 0.00 0.00 174.62 174.55 3mqh n ASP 184 N 4.80 -1.13 0.00 3.53 10.43 -0.48 -1.37 116.55 132.34 3mqh n ASP 184 Ca -0.11 -1.21 0.00 0.00 2.57 0.00 0.00 54.79 56.04 3mqh n ASP 184 Cb 0.45 -1.47 0.00 0.00 1.84 0.00 0.00 41.12 41.94 3mqh n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mqh n GLY 185 N -2.29 0.54 3.23 0.44 0.00 -0.05 -4.65 105.19 102.42 3mqh n GLY 185 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3mqh n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqh s VAL 186 N -2.02 2.49 -0.14 1.61 1.01 -0.47 -4.90 120.40 117.99 3mqh s VAL 186 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3mqh s VAL 186 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3mqh s VAL 186 CO 0.00 0.52 0.18 0.00 0.00 0.00 0.00 175.10 175.80 3mqh s ARG 188 N -0.39 0.63 0.25 0.00 1.70 -0.10 -4.79 118.95 116.25 3mqh s ARG 188 Ca 0.14 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.96 3mqh s ARG 188 Cb -0.12 0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 34.19 3mqh s ARG 188 CO 0.03 -0.06 1.25 -1.17 -1.08 0.00 0.00 175.30 174.26 3mqh s LEU 189 N -2.66 4.45 0.00 -1.89 2.96 -1.26 -0.62 118.68 119.67 3mqh s LEU 189 Ca 0.04 2.43 0.17 0.00 -0.22 0.00 0.00 54.13 56.55 3mqh s LEU 189 Cb 0.03 -3.62 1.02 0.00 0.50 0.00 0.00 46.19 44.12 3mqh s LEU 189 CO -0.06 -0.42 1.43 0.00 -1.32 0.00 0.00 176.35 175.97