#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqh n MET 1 N 0.00 0.85 -1.55 -0.41 2.00 -1.26 -1.03 117.12 115.72 3mqh n MET 1 Ca 0.00 0.33 -0.47 0.00 0.00 0.00 0.00 57.70 57.56 3mqh n MET 1 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 33.22 31.08 3mqh n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3mqh n ALA 2 N -1.72 -1.05 -2.70 3.04 0.00 -1.25 -4.26 120.51 112.57 3mqh n ALA 2 Ca 0.13 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.64 3mqh n ALA 2 Cb 0.47 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 3mqh n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mqh s THR 3 N -0.71 5.28 -0.11 0.00 -4.23 -0.25 -4.95 115.64 110.67 3mqh s THR 3 Ca 0.66 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 3mqh s THR 3 Cb -0.82 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 69.46 3mqh s THR 3 CO 0.56 0.52 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.44 3mqh s ILE 4 N -0.44 1.11 0.38 2.99 1.01 -1.26 -0.84 121.20 124.15 3mqh s ILE 4 Ca 0.18 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.20 3mqh s ILE 4 Cb -0.14 -1.10 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 3mqh s ILE 4 CO 0.07 0.38 1.48 -2.28 0.00 0.00 0.00 174.94 174.59 3mqh s HIS 5 N 1.55 2.58 0.64 3.97 5.65 0.03 -4.87 115.29 124.84 3mqh s HIS 5 Ca 0.02 1.17 0.40 0.00 0.25 0.00 0.00 55.06 56.91 3mqh s HIS 5 Cb -0.13 -4.02 2.22 0.00 -1.18 0.00 0.00 32.58 29.48 3mqh s HIS 5 CO -0.07 -2.99 2.32 -1.00 -0.65 0.00 0.00 174.74 172.36 3mqh h PRO 6 N 2.97 0.00 0.00 2.88 0.13 -1.93 -0.01 132.00 136.05 3mqh h PRO 6 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mqh h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mqh h PRO 6 CO 0.64 0.00 -0.29 0.25 -0.23 0.00 0.00 178.00 178.37 3mqh n THR 7 N -3.32 0.28 -1.83 1.56 -2.24 -1.26 -4.86 114.28 102.60 3mqh n THR 7 Ca -0.03 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 3mqh n THR 7 Cb 0.09 -0.26 0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 2.52 -0.27 6.98 0.00 -0.02 -3.90 121.76 124.00 3mqh s ALA 8 Ca 0.10 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3mqh s ALA 8 Cb 0.15 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 20.03 3mqh s ALA 8 CO 0.64 -1.18 -0.08 0.42 0.00 0.00 0.00 175.76 175.56 3mqh s ILE 9 N -2.32 2.07 -0.36 0.00 1.01 0.26 -4.94 121.20 116.92 3mqh s ILE 9 Ca 0.67 -1.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3mqh s ILE 9 Cb -0.20 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.07 3mqh s ILE 9 CO 0.40 -0.12 0.15 -0.69 0.00 0.00 0.00 174.94 174.68 3mqh s VAL 10 N 1.13 3.91 0.44 2.92 1.01 -1.26 -1.06 120.40 127.48 3mqh s VAL 10 Ca -0.06 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.47 3mqh s VAL 10 Cb -0.20 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 3mqh s VAL 10 CO -0.06 -0.28 1.13 -1.81 0.00 0.00 0.00 175.10 174.08 3mqh s ASP 11 N 1.59 6.34 0.06 3.32 1.01 -0.37 -4.90 116.67 123.72 3mqh s ASP 11 Ca 0.00 2.21 -0.38 0.00 0.71 0.00 0.00 52.55 55.10 3mqh s ASP 11 Cb -0.20 -2.60 -0.18 0.00 1.01 0.00 0.00 42.92 40.95 3mqh s ASP 11 CO 0.03 -0.79 1.22 1.21 0.21 0.00 0.00 175.17 177.04 3mqh n GLU 12 N -0.40 0.72 0.00 8.23 2.13 -1.26 -1.94 120.64 128.12 3mqh n GLU 12 Ca 0.07 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3mqh n GLU 12 Cb 0.49 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3mqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mqh n GLY 13 N 2.12 2.73 3.76 8.31 0.00 -1.26 -4.43 105.19 116.42 3mqh n GLY 13 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.56 3.02 -0.19 4.61 0.00 -0.82 -4.71 121.76 121.11 3mqh s ALA 14 Ca 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 3mqh s ALA 14 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3mqh s ALA 14 CO 0.00 -0.91 -0.07 1.03 0.00 0.00 0.00 175.76 175.80 3mqh s ARG 15 N -2.60 3.36 -0.09 0.00 0.52 -0.71 -5.02 118.95 114.41 3mqh s ARG 15 Ca 0.64 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3mqh s ARG 15 Cb -0.35 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.25 3mqh s ARG 15 CO 0.43 -0.09 -0.09 0.42 0.02 0.00 0.00 175.30 175.99 3mqh s ILE 16 N 1.17 1.02 0.81 1.52 1.01 -1.26 -0.59 121.20 124.88 3mqh s ILE 16 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 3mqh s ILE 16 Cb -0.14 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.40 3mqh s ILE 16 CO -0.02 0.35 1.09 -0.83 0.00 0.00 0.00 174.94 175.54 3mqh s GLY 17 N 1.33 1.62 0.39 6.18 0.00 -0.20 -4.53 107.32 112.12 3mqh s GLY 17 Ca -0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.29 3mqh s GLY 17 CO -0.04 0.27 0.90 0.00 0.00 0.00 0.00 173.10 174.23 3mqh n ALA 18 N -3.50 -0.30 -0.88 3.20 0.00 -1.26 -2.44 120.51 115.33 3mqh n ALA 18 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3mqh n ALA 18 Cb 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.45 0.00 -1.86 0.00 8.25 -0.20 -0.84 115.22 120.12 3mqh n HIS 19 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 3mqh n HIS 19 Cb 0.38 -0.61 0.02 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.41 5.75 -0.09 0.41 0.01 -1.02 -4.08 113.70 112.27 3mqh s SER 20 Ca 0.00 1.66 -0.00 0.00 1.31 0.00 0.00 55.95 58.92 3mqh s SER 20 Cb 0.00 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3mqh s SER 20 CO 0.00 -1.19 -0.06 -0.13 0.41 0.00 0.00 173.24 172.27 3mqh s ARG 21 N -4.60 1.31 -0.19 12.44 0.52 0.34 -1.10 118.95 127.68 3mqh s ARG 21 Ca 0.60 -0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.62 3mqh s ARG 21 Cb -0.14 -1.39 0.01 0.00 0.52 0.00 0.00 34.95 33.95 3mqh s ARG 21 CO 0.46 -0.23 -0.15 0.42 0.02 0.00 0.00 175.30 175.82 3mqh s ILE 22 N 1.59 2.54 0.00 1.52 -1.09 -0.02 -1.00 121.20 124.74 3mqh s ILE 22 Ca 0.02 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 3mqh s ILE 22 Cb -0.13 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 3mqh s ILE 22 CO -0.06 0.50 0.00 0.79 -1.23 0.00 0.00 174.94 174.94 3mqh n TRP 23 N 4.62 -0.37 -2.11 3.97 7.02 -0.67 -0.79 117.44 129.11 3mqh n TRP 23 Ca -0.20 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.87 3mqh n TRP 23 Cb 0.50 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 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 1.52 3.12 -1.51 -5.99 3.76 -1.26 -3.20 115.29 111.73 3mqh s HIS 24 Ca 0.00 1.15 -0.13 0.00 -0.15 0.00 0.00 55.06 55.93 3mqh s HIS 24 Cb 0.00 -3.72 0.08 0.00 1.11 0.00 0.00 32.58 30.06 3mqh s HIS 24 CO 0.00 -2.26 0.87 0.91 -0.85 0.00 0.00 174.74 173.41 3mqh n TRP 25 N 2.30 -2.17 -2.94 1.40 8.01 -1.25 -1.48 117.44 121.30 3mqh n TRP 25 Ca 0.06 0.80 -0.39 0.00 -1.31 0.00 0.00 57.50 56.65 3mqh n TRP 25 Cb 0.41 -3.80 -0.06 0.00 -2.01 0.00 0.00 31.31 25.85 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 -3.22 4.32 -0.17 -0.99 1.01 -1.19 -3.28 120.40 116.87 3mqh s VAL 26 Ca 0.60 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.36 3mqh s VAL 26 Cb -0.30 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3mqh s VAL 26 CO 0.74 0.52 -0.20 -2.28 0.00 0.00 0.00 175.10 173.88 3mqh s HIS 27 N -1.16 2.71 -0.16 5.22 2.46 -0.67 -0.57 115.29 123.12 3mqh s HIS 27 Ca 0.37 -1.55 0.00 0.00 0.47 0.00 0.00 55.06 54.35 3mqh s HIS 27 Cb -0.24 -1.87 -0.00 0.00 -0.13 0.00 0.00 32.58 30.34 3mqh s HIS 27 CO 0.27 -0.75 -0.15 0.42 -2.47 0.00 0.00 174.74 172.06 3mqh s ILE 28 N 1.19 2.65 0.68 0.89 1.01 -0.23 -1.17 121.20 126.22 3mqh s ILE 28 Ca 0.02 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3mqh s ILE 28 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3mqh s ILE 28 CO -0.10 0.51 1.06 0.00 0.00 0.00 0.00 174.94 176.41 3mqh h GLY 30 N -0.65 0.00 1.93 0.00 0.00 -1.77 -2.56 103.07 100.02 3mqh h GLY 30 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mqh h GLY 30 CO 0.58 0.00 -0.05 0.61 0.00 0.00 0.00 176.54 177.68 3mqh n GLY 31 N -0.32 -1.66 3.76 4.60 0.00 -1.26 -1.96 105.19 108.36 3mqh n GLY 31 Ca -0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.09 2.86 -0.10 4.61 0.00 -0.96 -4.68 121.76 120.39 3mqh s ALA 32 Ca 0.11 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3mqh s ALA 32 Cb 0.13 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3mqh s ALA 32 CO 0.60 -0.88 -0.12 -1.21 0.00 0.00 0.00 175.76 174.14 3mqh s GLU 33 N -2.88 1.93 -0.04 0.00 2.02 -0.94 -1.74 118.70 117.05 3mqh s GLU 33 Ca 0.68 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.25 3mqh s GLU 33 Cb -0.31 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3mqh s GLU 33 CO 0.36 -0.11 -0.13 0.42 0.02 0.00 0.00 175.26 175.82 3mqh s ILE 34 N 1.14 1.16 0.00 -1.63 1.01 0.25 -0.57 121.20 122.56 3mqh s ILE 34 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3mqh s ILE 34 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3mqh s ILE 34 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3mqh n GLY 35 N 3.36 -0.66 3.86 6.18 0.00 -0.23 -1.03 105.19 116.68 3mqh n GLY 35 Ca -0.19 -1.64 -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 0.09 3.89 -1.25 1.61 2.02 -1.26 -2.15 118.70 121.65 3mqh s GLU 36 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.40 3mqh s GLU 36 Cb 0.00 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3mqh s GLU 36 CO 0.00 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3mqh n GLY 37 N 0.05 0.75 3.89 -1.39 0.00 -0.02 -0.67 105.19 107.81 3mqh n GLY 37 Ca -0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.16 1.59 -0.25 0.00 0.15 -0.51 -0.50 113.70 110.02 3mqh s SER 39 Ca 0.51 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.96 3mqh s SER 39 Cb -0.11 -0.65 0.05 0.00 -1.71 0.00 0.00 66.02 63.60 3mqh s SER 39 CO 0.48 -0.07 -0.11 -0.76 1.20 0.00 0.00 173.24 173.98 3mqh s LEU 40 N 1.21 3.18 0.00 3.45 1.02 -0.17 -0.36 118.68 127.00 3mqh s LEU 40 Ca -0.05 -1.15 -0.06 0.00 0.02 0.00 0.00 54.13 52.88 3mqh s LEU 40 Cb -0.14 -1.57 0.09 0.00 0.02 0.00 0.00 46.19 44.59 3mqh s LEU 40 CO -0.02 -0.15 0.45 0.61 0.02 0.00 0.00 176.35 177.27 3mqh n GLY 41 N 4.53 -1.59 3.63 -3.19 0.00 -0.02 -1.67 105.19 106.88 3mqh n GLY 41 Ca -0.16 -1.63 -0.47 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.18 1.68 -1.19 1.61 7.27 -1.26 -2.14 117.38 121.17 3mqh n GLN 42 Ca 0.06 0.60 -0.06 0.00 0.07 0.00 0.00 57.00 57.66 3mqh n GLN 42 Cb 0.21 -2.24 -0.03 0.00 2.41 0.00 0.00 30.24 30.59 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 2.44 -4.63 -4.74 1.69 5.15 -0.55 -1.61 115.26 113.02 3mqh n ASN 43 Ca 0.15 0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.92 3mqh n ASN 43 Cb 0.27 -2.69 0.05 0.00 -0.53 0.00 0.00 39.78 36.88 3mqh n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mqh s VAL 44 N -1.95 2.24 -0.01 3.44 1.01 -0.91 -4.38 120.40 119.84 3mqh s VAL 44 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3mqh s VAL 44 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3mqh s VAL 44 CO 0.00 -0.03 -0.22 0.12 0.00 0.00 0.00 175.10 174.97 3mqh s PHE 45 N -1.45 2.00 -0.07 5.22 5.36 -0.86 -1.68 117.98 126.50 3mqh s PHE 45 Ca 0.80 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 3mqh s PHE 45 Cb -0.35 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 3mqh s PHE 45 CO 0.38 -0.02 -0.09 0.08 -1.46 0.00 0.00 175.22 174.11 3mqh s VAL 46 N -0.55 0.92 0.23 3.12 1.01 -0.32 -0.22 120.40 124.60 3mqh s VAL 46 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3mqh s VAL 46 Cb -0.09 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.45 3mqh s VAL 46 CO -0.01 0.32 0.31 0.61 0.00 0.00 0.00 175.10 176.33 3mqh n GLY 47 N 4.21 -1.32 0.13 4.51 0.00 -0.17 -0.97 105.19 111.59 3mqh n GLY 47 Ca -0.20 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.48 0.48 -1.92 1.61 2.35 -1.89 -3.33 115.58 112.39 3mqh h ASN 48 Ca -0.10 -0.90 -0.78 0.00 -0.55 0.00 0.00 56.30 53.98 3mqh h ASN 48 Cb 0.28 -0.16 -0.20 0.00 0.05 0.00 0.00 38.32 38.29 3mqh h ASN 48 CO 0.07 1.60 1.58 -1.14 -1.65 0.00 0.00 177.43 177.89 3mqh n ARG 49 N -3.90 4.49 -3.86 0.81 0.63 -1.26 -2.99 116.66 110.57 3mqh n ARG 49 Ca -0.22 -4.03 -0.15 0.00 -0.92 0.00 0.00 57.85 52.53 3mqh n ARG 49 Cb 0.93 -2.64 -0.15 0.00 0.45 0.00 0.00 32.46 31.04 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 -1.86 0.05 -0.11 5.15 1.01 -1.26 -0.46 120.40 122.92 3mqh s VAL 50 Ca 0.41 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.52 3mqh s VAL 50 Cb 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.38 3mqh s VAL 50 CO -0.02 0.09 -0.20 -0.13 0.00 0.00 0.00 175.10 174.84 3mqh s ARG 51 N 0.75 2.70 -0.10 2.72 0.52 -1.22 -2.20 118.95 122.10 3mqh s ARG 51 Ca -0.07 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3mqh s ARG 51 Cb -0.10 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.21 3mqh s ARG 51 CO -0.02 0.03 -0.22 0.42 0.02 0.00 0.00 175.30 175.53 3mqh s ILE 52 N 0.73 1.94 0.00 1.52 1.01 0.26 -1.16 121.20 125.50 3mqh s ILE 52 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3mqh s ILE 52 Cb -0.16 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3mqh s ILE 52 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3mqh n GLY 53 N 3.66 0.14 3.87 6.18 0.00 0.68 -1.06 105.19 118.65 3mqh n GLY 53 Ca -0.20 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.09 6.65 -1.38 1.61 0.01 -1.26 -2.35 114.94 117.14 3mqh s ASN 54 Ca 0.00 0.82 -0.02 0.00 -0.71 0.00 0.00 52.86 52.95 3mqh s ASN 54 Cb 0.00 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.47 3mqh s ASN 54 CO 0.00 0.13 0.33 0.54 -1.51 0.00 0.00 177.10 176.59 3mqh n ARG 55 N 0.74 -3.14 -3.18 -0.60 1.74 0.15 -1.24 116.66 111.13 3mqh n ARG 55 Ca -0.06 0.80 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 3mqh n ARG 55 Cb 0.52 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.59 3mqh n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqh s VAL 56 N -3.00 5.11 -0.28 1.55 1.01 -1.26 -3.74 120.40 119.78 3mqh s VAL 56 Ca 0.16 1.17 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 3mqh s VAL 56 Cb -0.07 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.40 3mqh s VAL 56 CO 0.20 0.26 0.05 -0.54 0.00 0.00 0.00 175.10 175.08 3mqh s LYS 57 N 0.89 3.12 -0.22 2.72 1.02 -0.73 -1.43 119.74 125.11 3mqh s LYS 57 Ca 0.31 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 3mqh s LYS 57 Cb -0.16 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 3mqh s LYS 57 CO 0.13 -0.40 -0.10 0.42 -0.92 0.00 0.00 175.35 174.48 3mqh s ILE 58 N 1.48 2.69 0.90 2.17 1.01 0.51 -0.73 121.20 129.24 3mqh s ILE 58 Ca 0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 3mqh s ILE 58 Cb -0.17 -2.29 0.16 0.00 0.01 0.00 0.00 42.46 40.17 3mqh s ILE 58 CO 0.01 0.33 1.27 -1.10 0.00 0.00 0.00 174.94 175.45 3mqh s GLN 59 N 1.33 1.13 0.44 2.79 -1.52 -0.35 -0.84 119.66 122.64 3mqh s GLN 59 Ca 0.02 -0.22 -0.23 0.00 -1.95 0.00 0.00 55.36 52.98 3mqh s GLN 59 Cb -0.15 -1.89 -0.11 0.00 -0.22 0.00 0.00 33.01 30.64 3mqh s GLN 59 CO -0.07 -2.11 0.76 0.09 -0.25 0.00 0.00 175.29 173.71 3mqh n ASN 60 N -3.60 0.06 -1.10 5.90 3.02 -1.26 -3.53 115.26 114.76 3mqh n ASN 60 Ca 0.13 0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 55.52 3mqh n ASN 60 Cb 0.60 -1.23 -0.01 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.79 -3.57 -4.64 6.41 3.02 -0.63 -0.96 115.26 115.67 3mqh n ASN 61 Ca 0.11 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 3mqh n ASN 61 Cb 0.40 -2.67 -0.10 0.00 -0.61 0.00 0.00 39.78 36.81 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 5.08 -0.42 2.41 1.01 -1.23 -4.23 120.40 120.53 3mqh s VAL 62 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 3mqh s VAL 62 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 33.08 3mqh s VAL 62 CO 0.00 0.39 0.30 -0.44 0.00 0.00 0.00 175.10 175.35 3mqh s SER 63 N 0.82 5.98 -0.75 3.32 0.01 -1.26 -2.03 113.70 119.79 3mqh s SER 63 Ca 0.06 -1.11 -0.19 0.00 1.31 0.00 0.00 55.95 56.02 3mqh s SER 63 Cb -0.13 -2.12 0.12 0.00 0.21 0.00 0.00 66.02 64.10 3mqh s SER 63 CO 0.02 -0.50 0.93 -0.69 0.41 0.00 0.00 173.24 173.41 3mqh s VAL 64 N 1.61 4.74 0.72 3.43 1.01 0.70 -4.22 120.40 128.39 3mqh s VAL 64 Ca 0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 3mqh s VAL 64 Cb -0.21 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.55 3mqh s VAL 64 CO 0.07 -1.34 1.11 -0.31 0.00 0.00 0.00 175.10 174.64 3mqh s TYR 65 N 2.78 3.27 0.22 5.22 2.02 -1.26 -1.00 117.35 128.60 3mqh s TYR 65 Ca 0.22 1.01 -0.30 0.00 -0.37 0.00 0.00 57.07 57.63 3mqh s TYR 65 Cb -0.14 -3.13 -0.16 0.00 -0.40 0.00 0.00 41.96 38.13 3mqh s TYR 65 CO 0.00 -1.27 0.93 -0.25 -1.57 0.00 0.00 175.55 173.39 3mqh n ASP 66 N -3.06 0.61 0.00 2.29 8.00 -1.26 -1.69 116.55 121.45 3mqh n ASP 66 Ca 0.07 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3mqh n ASP 66 Cb 0.58 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 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 1.66 -2.53 -4.76 -2.24 4.13 0.39 -4.73 115.26 107.18 3mqh n ASN 67 Ca 0.14 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.03 3mqh n ASN 67 Cb 0.27 -0.42 -0.07 0.00 -1.54 0.00 0.00 39.78 38.02 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 -2.12 5.28 -0.10 2.41 1.01 -0.68 -0.90 120.40 125.30 3mqh s VAL 68 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3mqh s VAL 68 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3mqh s VAL 68 CO 0.00 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 175.08 3mqh s PHE 69 N 0.14 1.49 -0.20 5.22 0.08 -0.37 -3.44 117.98 120.90 3mqh s PHE 69 Ca 0.18 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.52 3mqh s PHE 69 Cb -0.13 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3mqh s PHE 69 CO 0.05 -0.46 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.06 3mqh s LEU 70 N 1.44 2.52 1.13 -0.37 1.43 -0.31 -1.03 118.68 123.49 3mqh s LEU 70 Ca 0.00 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 3mqh s LEU 70 Cb -0.13 -1.56 0.25 0.00 0.03 0.00 0.00 46.19 44.78 3mqh s LEU 70 CO -0.05 -0.04 1.14 -1.61 0.23 0.00 0.00 176.35 176.02 3mqh s GLU 71 N 1.32 -0.63 0.55 1.70 2.02 0.01 -0.23 118.70 123.44 3mqh s GLU 71 Ca 0.03 -0.03 -0.20 0.00 0.02 0.00 0.00 54.97 54.80 3mqh s GLU 71 Cb -0.14 -1.66 -0.06 0.00 0.10 0.00 0.00 34.13 32.37 3mqh s GLU 71 CO -0.09 -3.33 1.07 -0.25 0.02 0.00 0.00 175.26 172.68 3mqh n ASP 72 N -4.50 1.33 -0.89 -0.19 8.00 -1.26 -3.24 116.55 115.80 3mqh n ASP 72 Ca 0.12 0.89 -0.12 0.00 0.71 0.00 0.00 54.79 56.39 3mqh n ASP 72 Cb 0.59 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 3mqh n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mqh n ASP 73 N -0.58 -4.77 -4.77 -2.24 8.00 -0.37 -1.89 116.55 109.93 3mqh n ASP 73 Ca 0.12 0.29 -0.39 0.00 0.71 0.00 0.00 54.79 55.52 3mqh n ASP 73 Cb 0.45 -3.29 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 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 -2.31 3.59 -0.19 2.53 1.01 -1.20 -3.45 120.40 120.38 3mqh s VAL 74 Ca 0.00 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 3mqh s VAL 74 Cb 0.00 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 3mqh s VAL 74 CO 0.00 0.20 -0.11 0.12 0.00 0.00 0.00 175.10 175.31 3mqh s PHE 75 N -1.38 2.87 -0.35 5.22 5.36 -0.35 -1.78 117.98 127.56 3mqh s PHE 75 Ca 0.50 -1.11 -0.08 0.00 -0.96 0.00 0.00 56.93 55.28 3mqh s PHE 75 Cb -0.27 -1.99 0.03 0.00 -0.34 0.00 0.00 43.02 40.44 3mqh s PHE 75 CO 0.35 -0.57 0.14 0.00 -1.46 0.00 0.00 175.22 173.68 3mqh s GLY 77 N 1.47 1.57 0.23 0.00 0.00 0.62 -1.22 107.32 109.99 3mqh s GLY 77 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 44.72 43.89 3mqh s GLY 77 CO 0.04 0.09 1.58 -1.55 0.00 0.00 0.00 173.10 173.26 3mqh n PRO 78 N -3.98 2.43 -1.76 2.90 -0.04 -1.26 -1.97 135.00 131.32 3mqh n PRO 78 Ca 0.06 0.87 -0.19 0.00 -0.04 0.00 0.00 63.50 64.21 3mqh n PRO 78 Cb 0.59 -2.64 -0.06 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 2.89 -5.04 -4.76 3.54 7.64 -0.14 -1.17 113.62 116.58 3mqh n SER 79 Ca 0.13 0.35 -0.31 0.00 1.01 0.00 0.00 58.87 60.06 3mqh n SER 79 Cb 0.33 -4.42 0.10 0.00 -1.01 0.00 0.00 64.21 59.21 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 -3.95 2.12 -0.09 1.43 0.23 -0.83 -3.91 119.30 114.29 3mqh s MET 80 Ca 0.00 1.16 -0.00 0.00 -1.03 0.00 0.00 55.69 55.82 3mqh s MET 80 Cb 0.00 -1.88 0.02 0.00 -1.53 0.00 0.00 34.83 31.44 3mqh s MET 80 CO 0.00 -1.74 -0.06 0.08 -2.03 0.00 0.00 175.02 171.27 3mqh s VAL 81 N -2.90 0.83 0.30 5.16 1.01 0.03 -4.44 120.40 120.40 3mqh s VAL 81 Ca 0.62 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3mqh s VAL 81 Cb -0.17 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3mqh s VAL 81 CO 0.56 0.33 0.47 -0.36 0.00 0.00 0.00 175.10 176.09 3mqh s PHE 82 N 1.58 3.46 0.22 5.22 0.08 -1.26 -0.97 117.98 126.30 3mqh s PHE 82 Ca 0.01 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.25 3mqh s PHE 82 Cb -0.13 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3mqh s PHE 82 CO -0.05 0.25 0.04 0.95 -0.10 0.00 0.00 175.22 176.31 3mqh s THR 83 N -2.17 0.67 0.00 0.64 -4.23 -1.22 -4.90 115.64 104.44 3mqh s THR 83 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3mqh s THR 83 Cb -0.09 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3mqh s THR 83 CO 0.33 -0.24 0.00 -0.46 -0.54 0.00 0.00 174.62 173.71 3mqh n ASN 84 N -0.37 0.01 -4.28 3.99 0.23 -1.26 -4.43 115.26 109.15 3mqh n ASN 84 Ca -0.03 -0.07 -0.33 0.00 -0.53 0.00 0.00 54.58 53.62 3mqh n ASN 84 Cb 0.65 0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 38.33 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 -0.14 2.61 0.16 3.53 1.01 -1.26 -1.21 120.40 125.09 3mqh s VAL 85 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3mqh s VAL 85 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3mqh s VAL 85 CO 0.00 0.53 1.54 0.22 0.00 0.00 0.00 175.10 177.39 3mqh h TYR 86 N 6.95 1.14 -2.05 5.22 5.03 -1.89 -3.39 116.97 127.98 3mqh h TYR 86 Ca -0.27 -0.28 -0.53 0.00 2.58 0.00 0.00 58.73 60.22 3mqh h TYR 86 Cb 1.21 -0.26 -0.40 0.00 1.55 0.00 0.00 36.73 38.83 3mqh h TYR 86 CO 0.49 1.11 -1.04 0.27 -1.32 0.00 0.00 178.16 177.68 3mqh n ASN 87 N -4.10 1.31 -4.77 -2.11 6.94 -1.26 -5.04 115.26 106.24 3mqh n ASN 87 Ca -0.00 -3.02 -0.38 0.00 -0.02 0.00 0.00 54.58 51.16 3mqh n ASN 87 Cb 0.47 -0.63 -0.01 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.10 3.90 -0.04 -0.53 0.04 -1.26 -5.04 135.00 129.98 3mqh s PRO 88 Ca 0.39 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 3mqh s PRO 88 Cb 0.25 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 32.21 3mqh s PRO 88 CO -0.09 -0.47 0.01 1.03 0.04 0.00 0.00 177.00 177.52 3mqh s ARG 89 N -2.41 0.30 0.49 4.56 1.81 -1.26 -5.05 118.95 117.39 3mqh s ARG 89 Ca 0.59 0.15 0.18 0.00 -1.72 0.00 0.00 55.73 54.93 3mqh s ARG 89 Cb -0.33 -0.61 1.20 0.00 -0.45 0.00 0.00 34.95 34.76 3mqh s ARG 89 CO 0.41 -0.22 2.03 0.00 -0.68 0.00 0.00 175.30 176.85 3mqh h ALA 90 N 7.77 2.15 0.00 2.13 0.00 -2.03 -1.14 119.26 128.14 3mqh h ALA 90 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mqh h ALA 90 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mqh h ALA 90 CO 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3mqh h ALA 91 N 1.79 1.00 -3.70 0.00 0.00 -2.03 -3.41 119.26 112.92 3mqh h ALA 91 Ca 0.19 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.43 3mqh h ALA 91 Cb 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.92 3mqh h ALA 91 CO -0.03 0.00 -0.73 0.42 0.00 0.00 0.00 179.25 178.91 3mqh s ILE 92 N -3.33 2.34 0.09 0.00 1.01 -0.43 -5.08 121.20 115.79 3mqh s ILE 92 Ca 0.06 -2.11 -0.31 0.00 0.00 0.00 0.00 60.65 58.29 3mqh s ILE 92 Cb 0.09 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 3mqh s ILE 92 CO 0.55 -0.44 1.57 -0.70 0.00 0.00 0.00 174.94 175.92 3mqh s GLU 93 N 0.98 4.23 -0.17 2.79 2.12 -1.26 -4.52 118.70 122.87 3mqh s GLU 93 Ca 0.05 2.26 0.16 0.00 0.36 0.00 0.00 54.97 57.80 3mqh s GLU 93 Cb -0.20 -3.45 0.40 0.00 0.26 0.00 0.00 34.13 31.15 3mqh s GLU 93 CO -0.07 -0.65 1.27 0.54 -0.54 0.00 0.00 175.26 175.82 3mqh n ARG 94 N 4.98 1.84 0.27 4.30 1.74 -1.26 -4.71 116.66 123.82 3mqh n ARG 94 Ca 0.14 -2.82 0.16 0.00 -0.77 0.00 0.00 57.85 54.57 3mqh n ARG 94 Cb 0.41 -1.65 0.90 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.74 0.00 -0.00 5.56 1.57 -2.00 0.44 116.57 122.88 3mqh h LYS 95 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mqh h LYS 95 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3mqh h LYS 95 CO 0.11 0.00 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.80 3mqh n SER 96 N -3.80 0.42 -0.50 0.86 3.41 -1.26 -4.05 113.62 108.71 3mqh n SER 96 Ca -0.02 -0.71 0.07 0.00 -0.26 0.00 0.00 58.87 57.94 3mqh n SER 96 Cb 0.15 -0.08 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.88 2.58 -1.69 4.33 1.02 0.14 -5.05 120.64 121.09 3mqh n GLU 97 Ca 0.17 -2.35 -0.41 0.00 -0.02 0.00 0.00 57.16 54.56 3mqh n GLU 97 Cb 0.24 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 3mqh n GLU 97 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mqh n TYR 98 N -0.43 1.99 -4.33 -0.32 4.01 -1.23 -4.80 117.16 112.06 3mqh n TYR 98 Ca 0.14 0.50 -0.32 0.00 -0.16 0.00 0.00 57.90 58.05 3mqh n TYR 98 Cb 0.60 -2.35 -0.09 0.00 -0.31 0.00 0.00 39.34 37.19 3mqh n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mqh s ARG 99 N -2.25 2.72 0.45 -0.72 0.52 -0.35 -5.04 118.95 114.27 3mqh s ARG 99 Ca 0.62 -0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 3mqh s ARG 99 Cb -0.50 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.26 3mqh s ARG 99 CO 0.57 0.62 1.05 -0.51 0.02 0.00 0.00 175.30 177.05 3mqh s ASP 100 N -1.52 6.49 -0.19 0.23 -0.00 -1.26 -4.32 116.67 116.11 3mqh s ASP 100 Ca 0.19 2.00 0.01 0.00 -0.00 0.00 0.00 52.55 54.75 3mqh s ASP 100 Cb -0.11 -2.57 0.04 0.00 -0.00 0.00 0.00 42.92 40.27 3mqh s ASP 100 CO 0.09 -0.68 -0.11 -0.89 -0.00 0.00 0.00 175.17 173.58 3mqh s THR 101 N -1.82 1.62 -0.18 -1.27 2.01 -0.08 -0.31 115.64 115.61 3mqh s THR 101 Ca 0.63 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 3mqh s THR 101 Cb -0.20 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 3mqh s THR 101 CO 0.24 0.24 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3mqh s ILE 102 N 1.42 3.25 -0.26 1.82 1.01 -1.11 -1.23 121.20 126.10 3mqh s ILE 102 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3mqh s ILE 102 Cb -0.15 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3mqh s ILE 102 CO -0.09 0.47 -0.04 -0.69 0.00 0.00 0.00 174.94 174.59 3mqh s VAL 103 N 0.98 2.94 0.67 2.92 1.01 -0.20 -0.45 120.40 128.27 3mqh s VAL 103 Ca -0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3mqh s VAL 103 Cb -0.15 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3mqh s VAL 103 CO -0.00 0.13 0.98 -0.13 0.00 0.00 0.00 175.10 176.08 3mqh s ARG 104 N 1.31 2.50 0.18 2.72 1.81 0.41 -0.81 118.95 127.08 3mqh s ARG 104 Ca -0.01 -0.11 -0.33 0.00 -1.72 0.00 0.00 55.73 53.57 3mqh s ARG 104 Cb -0.17 -2.19 -0.15 0.00 -0.45 0.00 0.00 34.95 31.99 3mqh s ARG 104 CO -0.03 -1.04 1.34 0.94 -0.68 0.00 0.00 175.30 175.83 3mqh n GLN 105 N -2.82 1.63 -0.90 3.54 7.27 -1.26 -2.11 117.38 122.73 3mqh n GLN 105 Ca 0.07 0.58 0.00 0.00 0.07 0.00 0.00 57.00 57.72 3mqh n GLN 105 Cb 0.59 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 2.36 0.77 3.75 1.69 0.00 -0.79 -0.64 105.19 112.33 3mqh n GLY 106 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.29 2.80 -0.18 4.61 0.00 -0.90 -3.98 121.76 120.82 3mqh s ALA 107 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3mqh s ALA 107 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 3mqh s ALA 107 CO 0.00 -1.25 -0.12 0.99 0.00 0.00 0.00 175.76 175.38 3mqh s THR 108 N -1.37 2.82 -0.45 0.00 2.01 -0.33 -1.21 115.64 117.11 3mqh s THR 108 Ca 0.71 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 3mqh s THR 108 Cb -0.38 -2.22 0.09 0.00 0.01 0.00 0.00 72.50 70.00 3mqh s THR 108 CO 0.44 0.49 0.32 -0.76 -0.69 0.00 0.00 174.62 174.42 3mqh s LEU 109 N 1.10 5.42 0.87 4.42 1.43 0.23 -0.97 118.68 131.17 3mqh s LEU 109 Ca 0.00 -1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 51.46 3mqh s LEU 109 Cb -0.14 -2.06 0.12 0.00 0.03 0.00 0.00 46.19 44.14 3mqh s LEU 109 CO -0.04 -0.61 1.13 -0.83 0.23 0.00 0.00 176.35 176.24 3mqh s GLY 110 N 2.42 1.72 0.03 -3.19 0.00 0.67 -0.28 107.32 108.69 3mqh s GLY 110 Ca 0.04 0.52 -0.38 0.00 0.00 0.00 0.00 44.72 44.89 3mqh s GLY 110 CO 0.03 0.92 1.22 0.00 0.00 0.00 0.00 173.10 175.27 3mqh n ALA 111 N -3.97 -2.24 -1.41 3.20 0.00 -1.26 -1.70 120.51 113.14 3mqh n ALA 111 Ca 0.11 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.97 3mqh n ALA 111 Cb 0.52 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 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 2.10 -5.15 -4.77 0.00 5.15 -0.32 -0.65 115.26 111.62 3mqh n ASN 112 Ca 0.19 0.35 -0.29 0.00 -0.60 0.00 0.00 54.58 54.23 3mqh n ASN 112 Cb 0.13 -3.87 0.13 0.00 -0.53 0.00 0.00 39.78 35.64 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 -3.18 0.65 -0.22 0.00 2.01 0.03 -0.79 115.64 114.15 3mqh s THR 114 Ca 0.63 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3mqh s THR 114 Cb -0.15 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.84 3mqh s THR 114 CO 0.54 0.14 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.77 3mqh s VAL 115 N -0.29 2.08 0.07 3.82 1.01 -0.15 -0.61 120.40 126.34 3mqh s VAL 115 Ca 0.02 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 3mqh s VAL 115 Cb -0.04 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 3mqh s VAL 115 CO -0.00 0.24 1.36 -0.69 0.00 0.00 0.00 175.10 176.01 3mqh s VAL 116 N 1.21 3.55 0.57 2.92 1.01 0.18 -3.38 120.40 126.46 3mqh s VAL 116 Ca -0.02 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 3mqh s VAL 116 Cb -0.17 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3mqh s VAL 116 CO -0.09 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.13 3mqh n GLY 118 N 1.16 3.16 3.79 0.00 0.00 0.58 -4.88 105.19 109.00 3mqh n GLY 118 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.79 3.09 -0.12 4.61 0.00 -1.18 -4.89 121.76 120.48 3mqh s ALA 119 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3mqh s ALA 119 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mqh s ALA 119 CO 0.00 -0.01 -0.02 0.99 0.00 0.00 0.00 175.76 176.72 3mqh s THR 120 N -1.82 4.10 -0.24 0.00 2.01 -1.26 -2.74 115.64 115.69 3mqh s THR 120 Ca 0.58 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.21 3mqh s THR 120 Cb -0.17 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3mqh s THR 120 CO 0.22 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 174.10 3mqh s ILE 121 N -0.20 4.11 0.89 1.82 1.01 0.41 -1.09 121.20 128.15 3mqh s ILE 121 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 3mqh s ILE 121 Cb -0.13 -2.90 0.13 0.00 0.01 0.00 0.00 42.46 39.58 3mqh s ILE 121 CO 0.02 0.37 1.20 -0.83 0.00 0.00 0.00 174.94 175.70 3mqh s GLY 122 N 1.47 1.63 0.16 6.18 0.00 0.28 -0.44 107.32 116.60 3mqh s GLY 122 Ca 0.05 -0.76 -0.33 0.00 0.00 0.00 0.00 44.72 43.68 3mqh s GLY 122 CO 0.02 -0.17 1.66 0.54 0.00 0.00 0.00 173.10 175.15 3mqh n ARG 123 N -3.62 2.40 -1.51 2.90 1.74 -1.26 -1.69 116.66 115.62 3mqh n ARG 123 Ca 0.10 0.87 -0.18 0.00 -0.77 0.00 0.00 57.85 57.86 3mqh n ARG 123 Cb 0.60 -2.67 -0.08 0.00 -1.02 0.00 0.00 32.46 29.29 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 3.95 -0.10 -0.70 -1.55 4.01 0.19 -0.99 117.16 121.97 3mqh n TYR 124 Ca 0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.61 3mqh n TYR 124 Cb 0.31 -3.16 0.20 0.00 -0.31 0.00 0.00 39.34 36.38 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 -2.51 0.74 -0.13 -0.72 0.00 -0.68 -3.80 121.76 114.65 3mqh s ALA 125 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 3mqh s ALA 125 Cb 0.00 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.82 3mqh s ALA 125 CO 0.00 -3.13 0.06 0.12 0.00 0.00 0.00 175.76 172.81 3mqh s PHE 126 N -2.61 0.39 -0.37 0.00 5.36 0.32 -1.19 117.98 119.89 3mqh s PHE 126 Ca 0.67 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 56.21 3mqh s PHE 126 Cb -0.23 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.73 3mqh s PHE 126 CO 0.60 -0.43 0.39 0.08 -1.46 0.00 0.00 175.22 174.40 3mqh s VAL 127 N 2.07 5.14 0.82 3.12 1.01 -0.14 -1.61 120.40 130.80 3mqh s VAL 127 Ca 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3mqh s VAL 127 Cb -0.15 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.42 3mqh s VAL 127 CO -0.07 -0.21 1.20 -0.83 0.00 0.00 0.00 175.10 175.18 3mqh s GLY 128 N 1.76 2.10 0.18 4.51 0.00 0.10 -0.24 107.32 115.73 3mqh s GLY 128 Ca 0.12 0.81 -0.33 0.00 0.00 0.00 0.00 44.72 45.32 3mqh s GLY 128 CO 0.12 1.23 1.37 0.00 0.00 0.00 0.00 173.10 175.82 3mqh n ALA 129 N -3.39 0.27 -0.94 3.20 0.00 -1.26 -1.84 120.51 116.55 3mqh n ALA 129 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3mqh n ALA 129 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.46 0.83 3.76 0.00 0.00 0.17 -4.83 105.19 107.59 3mqh n GLY 130 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.47 2.36 -0.34 4.61 0.00 -0.77 -4.73 121.76 119.43 3mqh s ALA 131 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 3mqh s ALA 131 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3mqh s ALA 131 CO 0.00 -1.50 0.06 0.08 0.00 0.00 0.00 175.76 174.40 3mqh s VAL 132 N -2.51 2.82 -0.17 0.00 1.01 -0.53 -0.79 120.40 120.23 3mqh s VAL 132 Ca 0.65 -1.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.56 3mqh s VAL 132 Cb -0.20 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3mqh s VAL 132 CO 0.47 -0.38 0.81 -0.69 0.00 0.00 0.00 175.10 175.31 3mqh s VAL 133 N 1.12 4.89 -0.05 2.92 1.01 0.22 -0.17 120.40 130.34 3mqh s VAL 133 Ca 0.02 1.58 0.09 0.00 0.00 0.00 0.00 61.98 63.68 3mqh s VAL 133 Cb -0.21 -4.12 0.17 0.00 0.00 0.00 0.00 36.38 32.22 3mqh s VAL 133 CO -0.04 0.03 1.08 -0.46 0.00 0.00 0.00 175.10 175.71 3mqh n ASN 134 N 5.23 0.87 -3.94 3.32 6.94 -1.26 -0.65 115.26 125.77 3mqh n ASN 134 Ca 0.04 -2.41 -0.10 0.00 -0.02 0.00 0.00 54.58 52.09 3mqh n ASN 134 Cb 0.49 -0.30 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 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 -0.97 1.29 0.58 -3.83 -2.85 -1.26 -4.98 119.74 107.72 3mqh s LYS 135 Ca 0.16 -1.15 -0.20 0.00 -1.00 0.00 0.00 55.97 53.77 3mqh s LYS 135 Cb 0.15 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 3mqh s LYS 135 CO -0.02 -0.50 1.33 -0.51 0.10 0.00 0.00 175.35 175.75 3mqh s ASP 136 N -2.97 5.06 -0.23 0.03 1.01 -1.26 -4.72 116.67 113.59 3mqh s ASP 136 Ca 0.18 2.71 -0.04 0.00 0.71 0.00 0.00 52.55 56.11 3mqh s ASP 136 Cb 0.02 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3mqh s ASP 136 CO 0.02 -1.71 -0.03 -0.69 0.21 0.00 0.00 175.17 172.97 3mqh s VAL 137 N -1.34 3.42 0.81 -1.27 1.01 -0.25 -4.97 120.40 117.80 3mqh s VAL 137 Ca 0.75 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 3mqh s VAL 137 Cb -0.39 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.50 3mqh s VAL 137 CO 0.45 0.40 1.20 -2.84 0.00 0.00 0.00 175.10 174.30 3mqh s PRO 138 N 1.48 1.64 0.21 2.72 0.02 -1.26 -0.56 135.00 139.25 3mqh s PRO 138 Ca 0.05 1.73 -0.32 0.00 0.02 0.00 0.00 61.00 62.49 3mqh s PRO 138 Cb -0.14 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.45 3mqh s PRO 138 CO -0.03 -2.21 1.19 -0.25 -0.33 0.00 0.00 177.00 175.37 3mqh n ASP 139 N -3.33 1.64 0.00 2.53 8.00 -1.26 -1.79 116.55 122.34 3mqh n ASP 139 Ca 0.13 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3mqh n ASP 139 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 1.37 0.00 -2.46 1.24 3.01 -0.16 -4.54 117.46 115.92 3mqh n PHE 140 Ca 0.13 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 3mqh n PHE 140 Cb 0.27 -0.63 -0.04 0.00 -0.01 0.00 0.00 39.48 39.07 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 -2.65 3.40 -0.29 4.37 0.00 -0.74 -0.02 121.76 125.83 3mqh s ALA 141 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 3mqh s ALA 141 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3mqh s ALA 141 CO 0.00 -0.25 0.32 -1.17 0.00 0.00 0.00 175.76 174.66 3mqh s LEU 142 N -0.57 4.15 -0.01 0.00 2.96 -0.46 -0.52 118.68 124.23 3mqh s LEU 142 Ca 0.49 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 3mqh s LEU 142 Cb -0.31 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 3mqh s LEU 142 CO 0.37 -0.19 -0.21 0.68 -1.32 0.00 0.00 176.35 175.67 3mqh s VAL 143 N 1.97 1.67 0.06 1.68 -7.23 -0.64 -1.07 120.40 116.84 3mqh s VAL 143 Ca 0.12 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 3mqh s VAL 143 Cb -0.16 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3mqh s VAL 143 CO 0.11 0.45 0.01 0.68 -0.31 0.00 0.00 175.10 176.03 3mqh s VAL 144 N -0.53 0.20 0.00 1.32 -7.23 -0.63 -0.72 120.40 112.82 3mqh s VAL 144 Ca 0.08 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3mqh s VAL 144 Cb -0.08 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3mqh s VAL 144 CO -0.01 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 3mqh n GLY 145 N 0.08 1.08 2.94 2.32 0.00 -1.26 -0.91 105.19 109.43 3mqh n GLY 145 Ca -0.14 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.60 1.79 0.86 1.61 1.01 -1.26 -1.45 120.40 121.36 3mqh s VAL 146 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 3mqh s VAL 146 Cb 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.24 3mqh s VAL 146 CO 0.00 -0.50 1.13 -2.16 0.00 0.00 0.00 175.10 173.57 3mqh s PRO 147 N 1.18 1.56 0.28 2.72 0.04 -1.26 -5.01 135.00 134.51 3mqh s PRO 147 Ca 0.06 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 3mqh s PRO 147 Cb -0.19 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3mqh s PRO 147 CO -0.12 -1.93 1.15 0.00 0.04 0.00 0.00 177.00 176.14 3mqh s ALA 148 N -3.28 3.43 0.04 8.56 0.00 0.76 -4.84 121.76 126.42 3mqh s ALA 148 Ca 0.63 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.61 3mqh s ALA 148 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3mqh s ALA 148 CO 0.53 -0.28 -0.12 1.03 0.00 0.00 0.00 175.76 176.92 3mqh s ARG 149 N -1.41 0.81 0.01 0.00 1.81 -0.09 -4.84 118.95 115.24 3mqh s ARG 149 Ca 0.46 -0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 53.46 3mqh s ARG 149 Cb -0.34 -0.78 -0.05 0.00 -0.45 0.00 0.00 34.95 33.33 3mqh s ARG 149 CO 0.43 0.19 1.29 -1.14 -0.68 0.00 0.00 175.30 175.39 3mqh s GLN 150 N -1.13 4.34 -0.00 3.54 0.74 -1.26 -1.61 119.66 124.28 3mqh s GLN 150 Ca -0.00 1.85 0.05 0.00 0.05 0.00 0.00 55.36 57.30 3mqh s GLN 150 Cb -0.08 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 3mqh s GLN 150 CO 0.01 -0.44 0.20 0.44 -0.55 0.00 0.00 175.29 174.94 3mqh n ILE 151 N 4.39 0.00 -3.02 -2.34 -5.35 -0.24 -4.99 119.36 107.82 3mqh n ILE 151 Ca 0.11 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3mqh n ILE 151 Cb 0.45 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 1.16 -0.65 3.06 3.28 0.00 -1.17 -5.02 105.19 105.85 3mqh n GLY 152 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.00 0.83 -0.12 1.61 0.52 -1.26 -1.35 118.94 116.16 3mqh s TRP 153 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 55.85 3mqh s TRP 153 Cb 0.00 -0.50 -0.01 0.00 -1.15 0.00 0.00 33.47 31.81 3mqh s TRP 153 CO 0.00 -0.02 -0.19 1.41 0.02 0.00 0.00 176.95 178.17 3mqh s MET 154 N -0.83 3.19 0.91 4.98 1.75 0.97 -0.83 119.30 129.44 3mqh s MET 154 Ca -0.01 -0.79 -0.11 0.00 -1.25 0.00 0.00 55.69 53.53 3mqh s MET 154 Cb -0.06 -2.46 0.14 0.00 2.84 0.00 0.00 34.83 35.28 3mqh s MET 154 CO 0.00 0.17 1.10 -1.54 -0.65 0.00 0.00 175.02 174.11 3mqh s SER 155 N 0.40 3.21 0.29 1.11 1.04 0.06 -4.70 113.70 115.11 3mqh s SER 155 Ca -0.14 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.15 3mqh s SER 155 Cb -0.17 -2.42 0.69 0.00 0.10 0.00 0.00 66.02 64.22 3mqh s SER 155 CO 0.07 -2.86 1.76 0.03 0.98 0.00 0.00 173.24 173.22 3mqh h ARG 156 N -1.70 0.67 0.00 4.02 3.08 -1.90 -0.63 114.38 117.92 3mqh h ARG 156 Ca -0.47 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 3mqh h ARG 156 Cb 1.27 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3mqh h ARG 156 CO 0.49 0.44 -0.13 1.25 -1.07 0.00 0.00 179.97 180.95 3mqh h HIS 157 N 0.69 0.00 0.00 3.04 2.76 -1.99 -3.46 115.15 116.18 3mqh h HIS 157 Ca 0.55 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 3mqh h HIS 157 Cb 0.87 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3mqh h HIS 157 CO -0.04 0.13 0.00 0.41 -1.30 0.00 0.00 177.93 177.13 3mqh n GLY 158 N -0.47 1.82 3.21 5.26 0.00 -0.24 -5.13 105.19 109.64 3mqh n GLY 158 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3mqh n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqh s GLU 159 N -0.46 0.94 0.39 1.61 2.02 -1.26 -4.89 118.70 117.05 3mqh s GLU 159 Ca 0.00 -1.14 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 3mqh s GLU 159 Cb 0.00 -0.84 -0.09 0.00 0.10 0.00 0.00 34.13 33.30 3mqh s GLU 159 CO 0.00 0.17 1.34 -0.65 0.02 0.00 0.00 175.26 176.14 3mqh s GLN 160 N -2.39 4.06 0.01 1.61 -0.21 -1.26 -0.76 119.66 120.71 3mqh s GLN 160 Ca 0.05 2.25 -0.12 0.00 0.02 0.00 0.00 55.36 57.56 3mqh s GLN 160 Cb -0.06 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 3mqh s GLN 160 CO 0.02 -0.45 0.37 -0.51 -2.12 0.00 0.00 175.29 172.60 3mqh s LEU 161 N -2.25 4.43 -1.35 2.90 1.43 -0.01 -4.70 118.68 119.13 3mqh s LEU 161 Ca 0.55 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 3mqh s LEU 161 Cb -0.40 -2.62 0.09 0.00 0.03 0.00 0.00 46.19 43.29 3mqh s LEU 161 CO 0.53 0.30 1.93 -0.67 0.23 0.00 0.00 176.35 178.66 3mqh n ASP 162 N 1.59 4.59 -3.81 2.29 4.64 -1.26 -4.57 116.55 120.01 3mqh n ASP 162 Ca -0.13 -2.94 -0.14 0.00 -1.38 0.00 0.00 54.79 50.20 3mqh n ASP 162 Cb 0.53 -1.63 -0.15 0.00 -1.04 0.00 0.00 41.12 38.83 3mqh n ASP 162 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3mqh s LEU 163 N 2.04 1.40 0.83 -2.67 2.96 -1.26 -4.75 118.68 117.23 3mqh s LEU 163 Ca 0.46 0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3mqh s LEU 163 Cb 0.08 -0.03 0.09 0.00 0.50 0.00 0.00 46.19 46.84 3mqh s LEU 163 CO -0.02 -0.08 1.09 -2.16 -1.32 0.00 0.00 176.35 173.86 3mqh s PRO 164 N 0.68 1.77 0.26 0.98 0.04 -1.26 -4.78 135.00 132.68 3mqh s PRO 164 Ca -0.06 0.97 0.03 0.00 0.04 0.00 0.00 61.00 61.98 3mqh s PRO 164 Cb -0.08 -1.86 0.34 0.00 0.04 0.00 0.00 34.50 32.94 3mqh s PRO 164 CO -0.02 -1.93 1.65 -0.07 0.04 0.00 0.00 177.00 176.67 3mqh h LEU 165 N -1.33 0.40 -9.00 -3.56 3.38 -1.96 -3.46 115.31 99.78 3mqh h LEU 165 Ca -0.47 -0.18 -0.51 0.00 0.09 0.00 0.00 57.88 56.82 3mqh h LEU 165 Cb 1.26 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 3mqh h LEU 165 CO 0.53 0.78 -0.75 -0.13 0.09 0.00 0.00 178.44 178.96 3mqh s ARG 166 N -4.17 1.45 1.32 1.13 0.52 -1.26 -4.57 118.95 113.37 3mqh s ARG 166 Ca -0.06 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 3mqh s ARG 166 Cb 0.13 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 34.24 3mqh s ARG 166 CO 0.80 0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.77 3mqh n GLY 167 N -0.43 -0.82 3.35 -3.53 0.00 -1.26 -4.72 105.19 97.78 3mqh n GLY 167 Ca -0.07 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 3.41 0.08 1.61 0.01 -1.26 -1.23 114.94 113.55 3mqh s ASN 168 Ca 0.00 -0.39 -0.27 0.00 -0.71 0.00 0.00 52.86 51.49 3mqh s ASN 168 Cb 0.00 -0.73 0.09 0.00 0.41 0.00 0.00 41.25 41.02 3mqh s ASN 168 CO 0.00 0.29 1.13 0.00 -1.51 0.00 0.00 177.10 177.01 3mqh s ALA 169 N -0.44 -1.94 0.05 0.60 0.00 -0.65 -5.00 121.76 114.39 3mqh s ALA 169 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3mqh s ALA 169 Cb -0.12 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3mqh s ALA 169 CO 0.01 -1.06 -0.05 -1.21 0.00 0.00 0.00 175.76 173.46 3mqh s GLU 170 N -2.71 0.57 0.18 0.00 2.02 -1.26 -0.18 118.70 117.33 3mqh s GLU 170 Ca 0.15 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.93 3mqh s GLU 170 Cb 0.01 0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.29 3mqh s GLU 170 CO 0.00 -0.05 0.55 0.00 0.02 0.00 0.00 175.26 175.78 3mqh s ALA 171 N -2.81 -1.16 0.16 5.21 0.00 -0.79 -4.91 121.76 117.46 3mqh s ALA 171 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.05 3mqh s ALA 171 Cb -0.00 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 3mqh s ALA 171 CO -0.05 -0.80 -0.17 0.95 0.00 0.00 0.00 175.76 175.69 3mqh s THR 172 N -3.83 2.79 0.14 0.00 -4.23 -1.26 -0.34 115.64 108.91 3mqh s THR 172 Ca 0.06 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 3mqh s THR 172 Cb -0.01 -2.33 -0.10 0.00 1.34 0.00 0.00 72.50 71.40 3mqh s THR 172 CO -0.06 -0.03 1.63 0.00 -0.54 0.00 0.00 174.62 175.62 3mqh h PRO 174 N 7.38 0.00 0.00 0.00 0.13 -1.90 0.09 132.00 137.69 3mqh h PRO 174 Ca -0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 3mqh h PRO 174 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3mqh h PRO 174 CO 0.93 0.00 -1.38 1.58 -0.23 0.00 0.00 178.00 178.90 3mqh n HIS 175 N -3.11 0.93 0.54 1.56 -0.00 -1.26 -4.66 115.22 109.22 3mqh n HIS 175 Ca -0.02 0.40 0.09 0.00 -0.00 0.00 0.00 57.72 58.19 3mqh n HIS 175 Cb 0.15 -1.09 -0.13 0.00 -0.00 0.00 0.00 29.99 28.92 3mqh n HIS 175 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3mqh n THR 176 N -4.41 0.00 -0.84 3.57 -2.24 -1.22 -4.98 114.28 104.17 3mqh n THR 176 Ca -0.34 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3mqh n THR 176 Cb 0.70 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.42 0.48 3.77 3.38 0.00 0.01 -4.96 105.19 109.30 3mqh n GLY 177 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3mqh n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mqh s GLU 178 N -0.56 3.80 0.08 1.61 -1.05 -1.26 -4.38 118.70 116.93 3mqh s GLU 178 Ca 0.00 1.92 -0.16 0.00 -0.15 0.00 0.00 54.97 56.58 3mqh s GLU 178 Cb 0.00 -2.52 -0.06 0.00 -0.44 0.00 0.00 34.13 31.10 3mqh s GLU 178 CO 0.00 -0.56 0.52 0.50 0.95 0.00 0.00 175.26 176.67 3mqh s ARG 179 N -2.53 4.05 0.05 -4.83 3.52 -1.26 -0.76 118.95 117.19 3mqh s ARG 179 Ca 0.62 0.57 0.09 0.00 -0.13 0.00 0.00 55.73 56.87 3mqh s ARG 179 Cb -0.32 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3mqh s ARG 179 CO 0.40 0.60 -0.24 0.71 -0.81 0.00 0.00 175.30 175.96 3mqh s TYR 180 N -1.21 2.39 -0.13 5.12 1.51 0.54 -1.08 117.35 124.49 3mqh s TYR 180 Ca 0.30 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3mqh s TYR 180 Cb -0.17 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 3mqh s TYR 180 CO 0.18 0.18 -0.17 0.42 -1.11 0.00 0.00 175.55 175.05 3mqh s ILE 181 N -0.87 2.66 -0.22 2.71 1.01 0.47 -1.89 121.20 125.07 3mqh s ILE 181 Ca 0.13 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 3mqh s ILE 181 Cb -0.10 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3mqh s ILE 181 CO 0.03 0.53 0.12 -0.22 0.00 0.00 0.00 174.94 175.41 3mqh s LEU 182 N 0.49 4.01 -0.13 2.97 2.96 0.75 -0.85 118.68 128.87 3mqh s LEU 182 Ca -0.11 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3mqh s LEU 182 Cb -0.16 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.51 3mqh s LEU 182 CO 0.05 0.11 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.25 3mqh s THR 183 N 0.76 0.93 -1.56 3.68 2.01 -0.39 -1.64 115.64 119.44 3mqh s THR 183 Ca 0.06 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 3mqh s THR 183 Cb -0.13 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.39 3mqh s THR 183 CO 0.02 0.21 0.54 0.47 -0.69 0.00 0.00 174.62 175.17 3mqh n ASP 184 N 4.95 -1.53 -0.01 3.53 10.43 -0.78 -1.46 116.55 131.68 3mqh n ASP 184 Ca -0.11 -1.04 -0.00 0.00 2.57 0.00 0.00 54.79 56.21 3mqh n ASP 184 Cb 0.49 -2.77 -0.00 0.00 1.84 0.00 0.00 41.12 40.68 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 -1.78 0.45 3.29 0.44 0.00 -0.37 -4.68 105.19 102.54 3mqh n GLY 185 Ca -0.14 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.90 2.82 -0.14 1.61 1.01 -0.53 -4.89 120.40 118.38 3mqh s VAL 186 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3mqh s VAL 186 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3mqh s VAL 186 CO 0.00 0.51 0.26 0.00 0.00 0.00 0.00 175.10 175.87 3mqh s ARG 188 N 0.01 0.71 0.27 0.00 1.70 -0.03 -4.78 118.95 116.84 3mqh s ARG 188 Ca 0.16 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.85 3mqh s ARG 188 Cb -0.13 0.03 -0.10 0.00 -0.57 0.00 0.00 34.95 34.18 3mqh s ARG 188 CO 0.04 -0.07 1.31 -0.51 -1.08 0.00 0.00 175.30 174.99 3mqh s LEU 189 N -2.98 4.43 0.00 -1.89 1.43 -1.26 -0.40 118.68 118.02 3mqh s LEU 189 Ca 0.09 2.56 0.19 0.00 -1.03 0.00 0.00 54.13 55.94 3mqh s LEU 189 Cb 0.07 -3.63 1.13 0.00 0.03 0.00 0.00 46.19 43.79 3mqh s LEU 189 CO -0.08 -0.52 1.52 0.00 0.23 0.00 0.00 176.35 177.51