#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqh s HIS 0 N 0.00 0.03 0.25 1.61 0.00 -1.26 -5.14 115.29 110.78 3mqh s HIS 0 Ca 0.00 -0.37 -0.30 0.00 -3.00 0.00 0.00 55.06 51.39 3mqh s HIS 0 Cb 0.00 0.22 -0.10 0.00 -4.00 0.00 0.00 32.58 28.70 3mqh s HIS 0 CO 0.00 -0.80 1.43 1.41 -1.00 0.00 0.00 174.74 175.78 3mqh s MET 1 N -3.89 4.28 0.43 -0.38 1.75 -1.26 -4.97 119.30 115.26 3mqh s MET 1 Ca 0.10 2.28 -0.25 0.00 -1.25 0.00 0.00 55.69 56.57 3mqh s MET 1 Cb 0.01 -3.11 -0.08 0.00 2.84 0.00 0.00 34.83 34.48 3mqh s MET 1 CO -0.04 -0.40 1.37 0.00 -0.65 0.00 0.00 175.02 175.30 3mqh s ALA 2 N -0.05 3.24 0.00 4.11 0.00 -1.26 -4.99 121.76 122.80 3mqh s ALA 2 Ca 0.59 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3mqh s ALA 2 Cb -0.41 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.16 3mqh s ALA 2 CO 0.43 -1.04 0.00 0.25 0.00 0.00 0.00 175.76 175.40 3mqh n THR 3 N -0.08 0.00 -4.14 0.00 -2.24 -1.26 -4.85 114.28 101.71 3mqh n THR 3 Ca 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.52 3mqh n THR 3 Cb 0.43 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.49 3mqh n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3mqh s ILE 4 N 0.28 1.62 0.45 2.28 1.01 -1.26 -1.43 121.20 124.15 3mqh s ILE 4 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 3mqh s ILE 4 Cb 0.00 -1.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 3mqh s ILE 4 CO 0.00 0.47 1.32 -2.28 0.00 0.00 0.00 174.94 174.45 3mqh s HIS 5 N 1.35 2.66 0.63 3.97 5.65 0.18 -4.86 115.29 124.87 3mqh s HIS 5 Ca 0.02 1.39 0.35 0.00 0.25 0.00 0.00 55.06 57.07 3mqh s HIS 5 Cb -0.13 -3.71 1.97 0.00 -1.18 0.00 0.00 32.58 29.53 3mqh s HIS 5 CO -0.09 -2.34 2.20 -1.35 -0.65 0.00 0.00 174.74 172.51 3mqh h PRO 6 N 2.32 0.00 0.00 2.88 0.11 -1.93 -1.70 132.00 133.67 3mqh h PRO 6 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mqh h PRO 6 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mqh h PRO 6 CO 0.61 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 178.52 3mqh n THR 7 N -3.38 0.28 -2.06 -1.15 -2.24 -1.26 -4.87 114.28 99.60 3mqh n THR 7 Ca -0.01 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 3mqh n THR 7 Cb 0.20 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.04 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 -3.06 2.58 -0.27 6.98 0.00 -0.64 -4.12 121.76 123.23 3mqh s ALA 8 Ca 0.11 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3mqh s ALA 8 Cb 0.16 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3mqh s ALA 8 CO 0.60 -1.07 -0.08 0.42 0.00 0.00 0.00 175.76 175.63 3mqh s ILE 9 N -1.69 2.41 -0.37 0.00 1.01 0.24 -4.93 121.20 117.87 3mqh s ILE 9 Ca 0.76 -1.55 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 3mqh s ILE 9 Cb -0.28 -2.40 0.08 0.00 0.01 0.00 0.00 42.46 39.88 3mqh s ILE 9 CO 0.32 -0.04 0.14 -0.69 0.00 0.00 0.00 174.94 174.67 3mqh s VAL 10 N 1.15 3.27 0.51 2.92 1.01 -1.26 -1.04 120.40 126.96 3mqh s VAL 10 Ca -0.08 -1.76 -0.22 0.00 0.00 0.00 0.00 61.98 59.93 3mqh s VAL 10 Cb -0.20 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 3mqh s VAL 10 CO -0.04 -0.47 1.24 -1.81 0.00 0.00 0.00 175.10 174.02 3mqh s ASP 11 N 1.62 5.68 0.16 3.32 1.01 -0.30 -4.90 116.67 123.26 3mqh s ASP 11 Ca 0.03 2.48 -0.34 0.00 0.71 0.00 0.00 52.55 55.43 3mqh s ASP 11 Cb -0.22 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 40.96 3mqh s ASP 11 CO -0.02 -1.26 1.48 1.21 0.21 0.00 0.00 175.17 176.78 3mqh n GLU 12 N -0.87 1.87 0.00 8.23 2.13 -1.26 -1.96 120.64 128.78 3mqh n GLU 12 Ca 0.09 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3mqh n GLU 12 Cb 0.47 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 2.96 2.67 3.76 8.31 0.00 -1.26 -4.45 105.19 117.18 3mqh n GLY 13 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.45 3.14 -0.24 4.61 0.00 -0.66 -4.71 121.76 121.45 3mqh s ALA 14 Ca 0.00 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.18 3mqh s ALA 14 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3mqh s ALA 14 CO 0.00 -1.00 0.02 0.50 0.00 0.00 0.00 175.76 175.28 3mqh s ARG 15 N -2.47 3.50 -0.11 0.00 3.52 -0.51 -5.02 118.95 117.86 3mqh s ARG 15 Ca 0.61 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 3mqh s ARG 15 Cb -0.39 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3mqh s ARG 15 CO 0.49 -0.21 -0.16 0.42 -0.81 0.00 0.00 175.30 175.02 3mqh s ILE 16 N 1.55 1.57 0.78 4.11 1.01 -1.26 -0.65 121.20 128.31 3mqh s ILE 16 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3mqh s ILE 16 Cb -0.15 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 40.96 3mqh s ILE 16 CO 0.01 0.46 1.10 -0.83 0.00 0.00 0.00 174.94 175.67 3mqh s GLY 17 N 0.91 1.74 0.66 6.18 0.00 0.64 -4.97 107.32 112.47 3mqh s GLY 17 Ca -0.08 0.35 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 3mqh s GLY 17 CO -0.01 0.70 1.29 0.00 0.00 0.00 0.00 173.10 175.08 3mqh n ALA 18 N -3.49 1.08 -1.29 3.20 0.00 -1.26 -3.21 120.51 115.53 3mqh n ALA 18 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 3mqh n ALA 18 Cb 0.53 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.00 0.00 -2.53 0.00 8.25 -1.26 -1.55 115.22 116.13 3mqh n HIS 19 Ca 0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.34 3mqh n HIS 19 Cb 0.48 -2.10 -0.00 0.00 1.12 0.00 0.00 29.99 29.49 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 -2.68 6.29 -0.12 0.41 0.01 -1.20 -3.82 113.70 112.59 3mqh s SER 20 Ca 0.00 1.03 0.02 0.00 1.31 0.00 0.00 55.95 58.31 3mqh s SER 20 Cb 0.00 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.95 3mqh s SER 20 CO 0.00 -0.61 -0.16 -0.13 0.41 0.00 0.00 173.24 172.75 3mqh s ARG 21 N -4.71 2.34 -0.15 12.44 0.52 0.41 -4.77 118.95 125.03 3mqh s ARG 21 Ca 0.49 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3mqh s ARG 21 Cb -0.10 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.39 3mqh s ARG 21 CO 0.45 -0.08 -0.18 0.42 0.02 0.00 0.00 175.30 175.93 3mqh s ILE 22 N 1.04 1.82 0.00 1.52 1.01 -0.51 -0.88 121.20 125.20 3mqh s ILE 22 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3mqh s ILE 22 Cb -0.15 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.66 3mqh s ILE 22 CO -0.03 0.50 0.00 0.79 0.00 0.00 0.00 174.94 176.20 3mqh n TRP 23 N 4.53 -1.13 -1.82 3.97 7.02 -0.43 -0.64 117.44 128.95 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 0.50 0.00 -0.02 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 1.50 2.90 -1.58 -5.99 3.76 -1.26 -2.97 115.29 111.64 3mqh s HIS 24 Ca 0.00 0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 55.39 3mqh s HIS 24 Cb 0.00 -4.04 0.10 0.00 1.11 0.00 0.00 32.58 29.75 3mqh s HIS 24 CO 0.00 -3.72 0.87 0.91 -0.85 0.00 0.00 174.74 171.95 3mqh n TRP 25 N 3.20 -2.04 -2.73 1.40 8.01 -1.26 -1.56 117.44 122.45 3mqh n TRP 25 Ca 0.12 0.86 -0.38 0.00 -1.31 0.00 0.00 57.50 56.78 3mqh n TRP 25 Cb 0.37 -3.61 -0.06 0.00 -2.01 0.00 0.00 31.31 26.00 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 -3.35 4.08 -0.13 -0.99 1.01 -1.16 -3.38 120.40 116.48 3mqh s VAL 26 Ca 0.62 1.88 0.01 0.00 0.00 0.00 0.00 61.98 64.50 3mqh s VAL 26 Cb -0.32 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 31.96 3mqh s VAL 26 CO 0.87 0.29 -0.16 -2.28 0.00 0.00 0.00 175.10 173.81 3mqh s HIS 27 N -1.42 2.21 -0.13 5.22 2.46 -0.70 -0.59 115.29 122.34 3mqh s HIS 27 Ca 0.47 -1.13 0.02 0.00 0.47 0.00 0.00 55.06 54.89 3mqh s HIS 27 Cb -0.23 -1.57 0.00 0.00 -0.13 0.00 0.00 32.58 30.65 3mqh s HIS 27 CO 0.28 -0.57 -0.21 0.42 -2.47 0.00 0.00 174.74 172.19 3mqh s ILE 28 N 1.11 2.27 0.71 0.89 1.01 -0.20 -1.07 121.20 125.91 3mqh s ILE 28 Ca -0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 3mqh s ILE 28 Cb -0.14 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.44 3mqh s ILE 28 CO -0.05 0.54 1.09 0.00 0.00 0.00 0.00 174.94 176.53 3mqh h GLY 30 N -0.67 0.00 1.47 0.00 0.00 -1.78 -2.71 103.07 99.39 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 0.64 0.00 -0.30 0.61 0.00 0.00 0.00 176.54 177.49 3mqh n GLY 31 N -0.04 -1.42 3.76 4.60 0.00 -1.26 -1.65 105.19 109.19 3mqh n GLY 31 Ca -0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.04 2.61 -0.08 4.61 0.00 -1.02 -4.67 121.76 120.16 3mqh s ALA 32 Ca 0.11 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3mqh s ALA 32 Cb 0.17 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3mqh s ALA 32 CO 0.64 -0.99 -0.18 -1.21 0.00 0.00 0.00 175.76 174.02 3mqh s GLU 33 N -3.31 2.30 -0.06 0.00 2.02 -0.94 -1.42 118.70 117.28 3mqh s GLU 33 Ca 0.75 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 55.14 3mqh s GLU 33 Cb -0.28 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3mqh s GLU 33 CO 0.30 0.10 -0.13 0.42 0.02 0.00 0.00 175.26 175.98 3mqh s ILE 34 N 0.50 1.18 0.00 -1.63 1.01 0.17 -0.76 121.20 121.67 3mqh s ILE 34 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3mqh s ILE 34 Cb -0.17 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3mqh s ILE 34 CO 0.06 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3mqh n GLY 35 N 3.76 -1.54 3.78 6.18 0.00 -0.03 -0.26 105.19 117.07 3mqh n GLY 35 Ca -0.22 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.32 4.46 -1.23 1.61 2.02 -1.26 -2.63 118.70 119.35 3mqh s GLU 36 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.44 3mqh s GLU 36 Cb 0.00 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3mqh s GLU 36 CO 0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3mqh n GLY 37 N 0.58 0.20 3.91 -1.39 0.00 -0.59 -0.34 105.19 107.57 3mqh n GLY 37 Ca 0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.27 1.52 -0.19 0.00 0.15 -0.50 -0.44 113.70 109.97 3mqh s SER 39 Ca 0.53 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.00 3mqh s SER 39 Cb -0.10 -0.61 0.03 0.00 -1.71 0.00 0.00 66.02 63.62 3mqh s SER 39 CO 0.45 -0.08 -0.16 -0.76 1.20 0.00 0.00 173.24 173.90 3mqh s LEU 40 N 1.25 2.31 0.00 3.45 1.02 -0.06 -0.57 118.68 126.08 3mqh s LEU 40 Ca -0.05 -0.80 -0.12 0.00 0.02 0.00 0.00 54.13 53.18 3mqh s LEU 40 Cb -0.14 -1.40 0.17 0.00 0.02 0.00 0.00 46.19 44.85 3mqh s LEU 40 CO -0.02 -0.07 0.85 0.61 0.02 0.00 0.00 176.35 177.74 3mqh n GLY 41 N 4.62 -1.85 3.65 -3.19 0.00 -0.30 -1.31 105.19 106.81 3mqh n GLY 41 Ca -0.18 -1.62 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.23 1.86 -1.28 1.61 7.27 -1.26 -2.08 117.38 120.26 3mqh n GLN 42 Ca 0.11 0.66 -0.10 0.00 0.07 0.00 0.00 57.00 57.74 3mqh n GLN 42 Cb 0.40 -2.28 -0.04 0.00 2.41 0.00 0.00 30.24 30.73 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 2.04 -5.23 -4.74 1.69 5.15 -0.60 -1.50 115.26 112.06 3mqh n ASN 43 Ca 0.12 0.24 -0.37 0.00 -0.60 0.00 0.00 54.58 53.97 3mqh n ASN 43 Cb 0.30 -3.60 0.06 0.00 -0.53 0.00 0.00 39.78 36.02 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 -2.01 2.16 -0.02 3.44 1.01 -0.88 -4.41 120.40 119.69 3mqh s VAL 44 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3mqh s VAL 44 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3mqh s VAL 44 CO 0.00 -0.02 -0.16 0.12 0.00 0.00 0.00 175.10 175.04 3mqh s PHE 45 N -1.42 1.47 -0.08 5.22 5.36 -0.83 -1.71 117.98 125.98 3mqh s PHE 45 Ca 0.81 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 3mqh s PHE 45 Cb -0.36 -0.96 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 3mqh s PHE 45 CO 0.39 -0.06 -0.06 0.08 -1.46 0.00 0.00 175.22 174.11 3mqh s VAL 46 N -0.27 0.80 0.83 3.12 1.01 -0.23 0.06 120.40 125.72 3mqh s VAL 46 Ca 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3mqh s VAL 46 Cb -0.07 -0.82 0.20 0.00 0.00 0.00 0.00 36.38 35.69 3mqh s VAL 46 CO -0.00 0.31 0.90 0.61 0.00 0.00 0.00 175.10 176.91 3mqh n GLY 47 N 4.53 -2.11 0.15 4.51 0.00 -0.19 -1.13 105.19 110.95 3mqh n GLY 47 Ca -0.17 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.84 0.64 -1.58 1.61 2.35 -1.90 -3.34 115.58 111.53 3mqh h ASN 48 Ca -0.31 -0.82 -0.76 0.00 -0.55 0.00 0.00 56.30 53.86 3mqh h ASN 48 Cb 0.91 -0.20 -0.17 0.00 0.05 0.00 0.00 38.32 38.91 3mqh h ASN 48 CO 0.21 1.39 1.92 -1.14 -1.65 0.00 0.00 177.43 178.16 3mqh n ARG 49 N -4.06 4.25 -3.79 0.81 0.63 -1.26 -2.90 116.66 110.33 3mqh n ARG 49 Ca -0.12 -3.74 -0.14 0.00 -0.92 0.00 0.00 57.85 52.94 3mqh n ARG 49 Cb 0.80 -2.72 -0.15 0.00 0.45 0.00 0.00 32.46 30.84 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 -1.01 -0.03 -0.07 5.15 1.01 -1.26 -0.58 120.40 123.61 3mqh s VAL 50 Ca 0.44 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.58 3mqh s VAL 50 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.39 3mqh s VAL 50 CO -0.03 0.05 -0.19 -0.13 0.00 0.00 0.00 175.10 174.81 3mqh s ARG 51 N 0.71 2.29 -0.13 2.72 0.52 -1.24 -2.21 118.95 121.61 3mqh s ARG 51 Ca -0.06 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3mqh s ARG 51 Cb -0.08 -1.84 0.01 0.00 0.52 0.00 0.00 34.95 33.56 3mqh s ARG 51 CO -0.03 0.16 -0.22 0.42 0.02 0.00 0.00 175.30 175.66 3mqh s ILE 52 N 0.33 2.04 0.00 1.52 1.01 0.06 -0.94 121.20 125.21 3mqh s ILE 52 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3mqh s ILE 52 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3mqh s ILE 52 CO 0.05 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.15 3mqh n GLY 53 N 3.96 -0.19 3.88 6.18 0.00 0.56 -0.85 105.19 118.73 3mqh n GLY 53 Ca -0.20 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.23 6.56 -1.39 1.61 0.01 -1.26 -1.89 114.94 117.35 3mqh s ASN 54 Ca 0.00 0.66 -0.02 0.00 -0.71 0.00 0.00 52.86 52.79 3mqh s ASN 54 Cb 0.00 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.53 3mqh s ASN 54 CO 0.00 0.23 0.28 0.54 -1.51 0.00 0.00 177.10 176.64 3mqh n ARG 55 N 1.10 -2.87 -3.12 -0.60 1.74 0.54 -1.38 116.66 112.07 3mqh n ARG 55 Ca -0.10 0.80 -0.39 0.00 -0.77 0.00 0.00 57.85 57.39 3mqh n ARG 55 Cb 0.53 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.60 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 -2.98 4.98 -0.26 1.55 1.01 -1.26 -3.73 120.40 119.72 3mqh s VAL 56 Ca 0.14 1.35 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 3mqh s VAL 56 Cb -0.06 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3mqh s VAL 56 CO 0.17 0.32 0.01 -0.54 0.00 0.00 0.00 175.10 175.06 3mqh s LYS 57 N 0.37 3.14 -0.21 2.72 1.02 -0.72 -1.41 119.74 124.66 3mqh s LYS 57 Ca 0.34 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 3mqh s LYS 57 Cb -0.18 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3mqh s LYS 57 CO 0.17 -0.34 -0.14 0.42 -0.92 0.00 0.00 175.35 174.54 3mqh s ILE 58 N 1.45 2.42 0.98 2.17 1.01 0.26 -0.67 121.20 128.83 3mqh s ILE 58 Ca 0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3mqh s ILE 58 Cb -0.16 -2.12 0.20 0.00 0.01 0.00 0.00 42.46 40.39 3mqh s ILE 58 CO -0.01 0.40 1.29 -1.10 0.00 0.00 0.00 174.94 175.52 3mqh s GLN 59 N 1.31 0.54 0.52 2.79 -1.52 -0.39 -1.15 119.66 121.76 3mqh s GLN 59 Ca 0.03 -0.33 -0.21 0.00 -1.95 0.00 0.00 55.36 52.90 3mqh s GLN 59 Cb -0.15 -1.83 -0.07 0.00 -0.22 0.00 0.00 33.01 30.75 3mqh s GLN 59 CO -0.09 -2.50 1.01 0.09 -0.25 0.00 0.00 175.29 173.55 3mqh n ASN 60 N -3.84 1.11 -1.52 5.90 3.02 -1.26 -3.68 115.26 115.00 3mqh n ASN 60 Ca 0.14 0.91 -0.12 0.00 -0.03 0.00 0.00 54.58 55.49 3mqh n ASN 60 Cb 0.60 -1.39 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 -0.22 -3.87 -4.60 6.41 3.02 -0.56 -0.99 115.26 114.45 3mqh n ASN 61 Ca 0.11 -0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 3mqh n ASN 61 Cb 0.44 -2.94 -0.10 0.00 -0.61 0.00 0.00 39.78 36.57 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 -2.71 4.85 -0.42 2.41 1.01 -1.24 -4.22 120.40 120.08 3mqh s VAL 62 Ca 0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 3mqh s VAL 62 Cb -0.03 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.17 3mqh s VAL 62 CO 0.09 0.39 0.29 -0.44 0.00 0.00 0.00 175.10 175.44 3mqh s SER 63 N 0.88 5.91 -0.95 3.32 0.01 -1.26 -1.96 113.70 119.65 3mqh s SER 63 Ca 0.05 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 55.95 3mqh s SER 63 Cb -0.13 -2.09 0.13 0.00 0.21 0.00 0.00 66.02 64.13 3mqh s SER 63 CO 0.03 -0.50 1.16 -0.69 0.41 0.00 0.00 173.24 173.64 3mqh s VAL 64 N 1.58 4.69 0.78 3.43 1.01 0.11 -4.24 120.40 127.75 3mqh s VAL 64 Ca 0.03 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.33 3mqh s VAL 64 Cb -0.21 -4.80 0.06 0.00 0.00 0.00 0.00 36.38 31.42 3mqh s VAL 64 CO 0.06 -1.54 1.09 -0.31 0.00 0.00 0.00 175.10 174.41 3mqh s TYR 65 N 2.78 2.88 0.18 5.22 2.02 -1.26 -1.02 117.35 128.15 3mqh s TYR 65 Ca 0.34 1.20 -0.31 0.00 -0.37 0.00 0.00 57.07 57.92 3mqh s TYR 65 Cb -0.04 -3.08 -0.16 0.00 -0.40 0.00 0.00 41.96 38.27 3mqh s TYR 65 CO -0.09 -1.67 0.92 -0.25 -1.57 0.00 0.00 175.55 172.88 3mqh n ASP 66 N -3.38 0.34 0.00 2.29 8.00 -1.26 -1.85 116.55 120.69 3mqh n ASP 66 Ca 0.07 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3mqh n ASP 66 Cb 0.56 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 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 1.77 -2.44 -4.77 -2.24 4.13 0.26 -4.74 115.26 107.23 3mqh n ASN 67 Ca 0.15 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.06 3mqh n ASN 67 Cb 0.24 -0.41 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 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 -2.00 5.44 -0.09 2.41 1.01 -0.77 -1.09 120.40 125.30 3mqh s VAL 68 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3mqh s VAL 68 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3mqh s VAL 68 CO 0.00 0.49 -0.04 -0.36 0.00 0.00 0.00 175.10 175.19 3mqh s PHE 69 N -0.05 1.09 -0.18 5.22 0.08 -0.33 -3.70 117.98 120.11 3mqh s PHE 69 Ca 0.10 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 3mqh s PHE 69 Cb -0.11 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 3mqh s PHE 69 CO -0.00 -0.40 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.06 3mqh s LEU 70 N 1.72 2.42 0.97 -0.37 1.43 -0.12 -1.17 118.68 123.57 3mqh s LEU 70 Ca 0.03 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3mqh s LEU 70 Cb -0.13 -1.57 0.18 0.00 0.03 0.00 0.00 46.19 44.71 3mqh s LEU 70 CO -0.06 0.02 1.22 -1.61 0.23 0.00 0.00 176.35 176.15 3mqh s GLU 71 N 1.19 0.62 0.45 1.70 2.02 0.07 -0.32 118.70 124.42 3mqh s GLU 71 Ca 0.02 -0.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.68 3mqh s GLU 71 Cb -0.14 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.18 3mqh s GLU 71 CO -0.06 -2.48 0.99 -0.25 0.02 0.00 0.00 175.26 173.48 3mqh n ASP 72 N -3.88 1.14 -0.53 -0.19 8.00 -1.26 -2.84 116.55 116.98 3mqh n ASP 72 Ca 0.12 0.99 -0.07 0.00 0.71 0.00 0.00 54.79 56.54 3mqh n ASP 72 Cb 0.60 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 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 0.31 -4.71 -4.77 -2.24 8.00 -0.48 -1.99 116.55 110.67 3mqh n ASP 73 Ca 0.10 0.17 -0.38 0.00 0.71 0.00 0.00 54.79 55.39 3mqh n ASP 73 Cb 0.41 -2.82 -0.03 0.00 -0.02 0.00 0.00 41.12 38.66 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 -1.96 3.38 -0.20 2.53 1.01 -1.13 -3.49 120.40 120.54 3mqh s VAL 74 Ca 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 3mqh s VAL 74 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3mqh s VAL 74 CO 0.00 0.07 -0.13 0.12 0.00 0.00 0.00 175.10 175.16 3mqh s PHE 75 N -1.50 2.86 -0.33 5.22 5.36 -0.31 -1.76 117.98 127.52 3mqh s PHE 75 Ca 0.57 -1.31 -0.08 0.00 -0.96 0.00 0.00 56.93 55.16 3mqh s PHE 75 Cb -0.27 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3mqh s PHE 75 CO 0.34 -0.68 0.12 0.00 -1.46 0.00 0.00 175.22 173.55 3mqh s GLY 77 N 1.49 1.58 0.17 0.00 0.00 0.40 -1.26 107.32 109.70 3mqh s GLY 77 Ca 0.01 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 43.94 3mqh s GLY 77 CO 0.04 0.11 1.62 -1.55 0.00 0.00 0.00 173.10 173.32 3mqh n PRO 78 N -3.86 2.31 -1.70 2.90 -0.04 -1.26 -1.98 135.00 131.37 3mqh n PRO 78 Ca 0.06 0.83 -0.20 0.00 -0.04 0.00 0.00 63.50 64.15 3mqh n PRO 78 Cb 0.58 -2.62 -0.08 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 3.63 -5.47 -4.75 3.54 7.64 -0.16 -1.30 113.62 116.76 3mqh n SER 79 Ca 0.17 0.43 -0.32 0.00 1.01 0.00 0.00 58.87 60.15 3mqh n SER 79 Cb 0.30 -4.70 0.08 0.00 -1.01 0.00 0.00 64.21 58.88 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 -3.88 2.30 -0.11 1.43 0.23 -0.84 -3.92 119.30 114.50 3mqh s MET 80 Ca 0.00 1.38 -0.01 0.00 -1.03 0.00 0.00 55.69 56.04 3mqh s MET 80 Cb 0.00 -1.89 0.03 0.00 -1.53 0.00 0.00 34.83 31.44 3mqh s MET 80 CO 0.00 -1.64 -0.07 0.08 -2.03 0.00 0.00 175.02 171.36 3mqh s VAL 81 N -2.53 0.97 0.34 5.16 1.01 -0.16 -4.43 120.40 120.76 3mqh s VAL 81 Ca 0.66 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3mqh s VAL 81 Cb -0.21 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3mqh s VAL 81 CO 0.49 0.35 0.54 -0.36 0.00 0.00 0.00 175.10 176.12 3mqh s PHE 82 N 1.73 3.50 0.23 5.22 0.08 -1.26 -1.06 117.98 126.42 3mqh s PHE 82 Ca 0.05 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.47 3mqh s PHE 82 Cb -0.13 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3mqh s PHE 82 CO -0.08 0.13 0.02 0.95 -0.10 0.00 0.00 175.22 176.14 3mqh s THR 83 N -2.30 0.90 0.00 0.64 -4.23 -1.22 -4.91 115.64 104.52 3mqh s THR 83 Ca 0.40 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3mqh s THR 83 Cb -0.10 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3mqh s THR 83 CO 0.36 -0.27 0.00 -0.46 -0.54 0.00 0.00 174.62 173.71 3mqh n ASN 84 N -0.41 0.00 -4.26 3.99 0.23 -1.26 -4.45 115.26 109.10 3mqh n ASN 84 Ca -0.04 -0.10 -0.32 0.00 -0.53 0.00 0.00 54.58 53.59 3mqh n ASN 84 Cb 0.64 0.14 -0.16 0.00 -2.08 0.00 0.00 39.78 38.32 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 2.25 0.11 3.53 1.01 -1.26 -1.28 120.40 124.62 3mqh s VAL 85 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3mqh s VAL 85 Cb 0.00 -1.87 -0.15 0.00 0.00 0.00 0.00 36.38 34.36 3mqh s VAL 85 CO 0.00 0.56 1.32 0.22 0.00 0.00 0.00 175.10 177.20 3mqh h TYR 86 N 6.58 1.04 -2.08 5.22 5.03 -1.90 -3.39 116.97 127.47 3mqh h TYR 86 Ca -0.23 -0.45 -0.53 0.00 2.58 0.00 0.00 58.73 60.10 3mqh h TYR 86 Cb 1.22 -0.16 -0.40 0.00 1.55 0.00 0.00 36.73 38.93 3mqh h TYR 86 CO 0.47 1.28 -1.01 0.27 -1.32 0.00 0.00 178.16 177.85 3mqh n ASN 87 N -3.93 1.82 -4.77 -2.11 6.94 -1.26 -5.03 115.26 106.92 3mqh n ASN 87 Ca -0.07 -3.16 -0.38 0.00 -0.02 0.00 0.00 54.58 50.95 3mqh n ASN 87 Cb 0.74 -0.61 -0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 -2.50 3.82 -0.03 -0.53 0.04 -1.26 -5.03 135.00 129.51 3mqh s PRO 88 Ca 0.41 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3mqh s PRO 88 Cb 0.29 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3mqh s PRO 88 CO -0.09 -0.55 0.01 1.03 0.04 0.00 0.00 177.00 177.44 3mqh s ARG 89 N -2.49 0.24 0.49 4.56 1.81 -1.26 -5.05 118.95 117.26 3mqh s ARG 89 Ca 0.61 0.12 0.16 0.00 -1.72 0.00 0.00 55.73 54.90 3mqh s ARG 89 Cb -0.33 -0.48 1.19 0.00 -0.45 0.00 0.00 34.95 34.88 3mqh s ARG 89 CO 0.41 -0.17 2.09 0.00 -0.68 0.00 0.00 175.30 176.95 3mqh h ALA 90 N 7.43 1.84 0.00 2.13 0.00 -2.03 -1.64 119.26 126.99 3mqh h ALA 90 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mqh h ALA 90 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3mqh h ALA 90 CO 0.43 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3mqh h ALA 91 N 1.93 1.00 -3.73 0.00 0.00 -2.02 -3.41 119.26 113.02 3mqh h ALA 91 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3mqh h ALA 91 Cb 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.53 3mqh h ALA 91 CO 0.01 0.00 -0.74 0.42 0.00 0.00 0.00 179.25 178.94 3mqh s ILE 92 N -3.26 2.26 0.06 0.00 1.01 -0.62 -5.08 121.20 115.57 3mqh s ILE 92 Ca 0.07 -2.17 -0.31 0.00 0.00 0.00 0.00 60.65 58.24 3mqh s ILE 92 Cb 0.10 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.90 3mqh s ILE 92 CO 0.50 -0.46 1.62 -0.70 0.00 0.00 0.00 174.94 175.91 3mqh s GLU 93 N 0.95 4.21 -0.18 2.79 2.12 -1.26 -4.49 118.70 122.84 3mqh s GLU 93 Ca 0.06 2.28 0.15 0.00 0.36 0.00 0.00 54.97 57.82 3mqh s GLU 93 Cb -0.19 -3.61 0.38 0.00 0.26 0.00 0.00 34.13 30.97 3mqh s GLU 93 CO -0.07 -0.72 1.22 0.54 -0.54 0.00 0.00 175.26 175.69 3mqh n ARG 94 N 5.62 1.54 0.26 4.30 1.74 -1.26 -4.71 116.66 124.14 3mqh n ARG 94 Ca 0.16 -2.97 0.18 0.00 -0.77 0.00 0.00 57.85 54.45 3mqh n ARG 94 Cb 0.41 -1.59 0.91 0.00 -1.02 0.00 0.00 32.46 31.16 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 0.61 0.00 -0.00 5.56 1.57 -1.99 -0.29 116.57 122.03 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 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3mqh h LYS 95 CO 0.04 0.00 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.69 3mqh n SER 96 N -3.56 0.59 -0.39 0.86 3.41 -1.26 -4.04 113.62 109.23 3mqh n SER 96 Ca -0.00 -0.76 0.07 0.00 -0.26 0.00 0.00 58.87 57.92 3mqh n SER 96 Cb 0.26 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.80 2.29 -1.70 4.33 1.02 -0.12 -5.04 120.64 120.62 3mqh n GLU 97 Ca 0.16 -2.41 -0.42 0.00 -0.02 0.00 0.00 57.16 54.47 3mqh n GLU 97 Cb 0.27 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.74 2.18 -4.22 -0.32 4.01 -1.23 -4.78 117.16 112.07 3mqh n TYR 98 Ca 0.14 0.54 -0.32 0.00 -0.16 0.00 0.00 57.90 58.10 3mqh n TYR 98 Cb 0.63 -2.39 -0.08 0.00 -0.31 0.00 0.00 39.34 37.18 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 -1.99 2.83 0.39 -0.72 0.52 -0.41 -5.03 118.95 114.54 3mqh s ARG 99 Ca 0.58 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.97 3mqh s ARG 99 Cb -0.55 -2.70 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 3mqh s ARG 99 CO 0.61 0.62 0.90 -0.51 0.02 0.00 0.00 175.30 176.94 3mqh s ASP 100 N -1.71 6.96 -0.26 0.23 -0.00 -1.26 -4.29 116.67 116.34 3mqh s ASP 100 Ca 0.21 1.62 0.02 0.00 -0.00 0.00 0.00 52.55 54.41 3mqh s ASP 100 Cb -0.12 -2.51 0.06 0.00 -0.00 0.00 0.00 42.92 40.36 3mqh s ASP 100 CO 0.12 -0.28 -0.08 -0.89 -0.00 0.00 0.00 175.17 174.05 3mqh s THR 101 N -2.05 1.96 -0.20 -1.27 2.01 -0.25 -0.91 115.64 114.93 3mqh s THR 101 Ca 0.58 -1.56 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 3mqh s THR 101 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 3mqh s THR 101 CO 0.15 -0.10 0.00 -0.63 -0.69 0.00 0.00 174.62 173.36 3mqh s ILE 102 N 1.18 4.04 -0.22 1.82 1.01 -1.21 -1.18 121.20 126.63 3mqh s ILE 102 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3mqh s ILE 102 Cb -0.20 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.48 3mqh s ILE 102 CO -0.06 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 3mqh s VAL 103 N 0.89 2.48 0.66 2.92 1.01 -0.32 -0.91 120.40 127.14 3mqh s VAL 103 Ca 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3mqh s VAL 103 Cb -0.14 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.06 3mqh s VAL 103 CO 0.02 0.30 0.99 -0.13 0.00 0.00 0.00 175.10 176.28 3mqh s ARG 104 N 1.28 2.64 0.12 2.72 1.81 0.23 -0.75 118.95 127.00 3mqh s ARG 104 Ca 0.01 0.03 -0.35 0.00 -1.72 0.00 0.00 55.73 53.69 3mqh s ARG 104 Cb -0.16 -2.17 -0.16 0.00 -0.45 0.00 0.00 34.95 32.01 3mqh s ARG 104 CO -0.08 -0.98 1.30 0.94 -0.68 0.00 0.00 175.30 175.81 3mqh n GLN 105 N -2.81 1.23 -0.77 3.54 7.27 -1.26 -2.06 117.38 122.52 3mqh n GLN 105 Ca 0.06 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3mqh n GLN 105 Cb 0.59 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.18 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 2.42 1.38 3.74 1.69 0.00 -0.84 -1.07 105.19 112.51 3mqh n GLY 106 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.68 2.65 -0.18 4.61 0.00 -0.87 -4.03 121.76 120.25 3mqh s ALA 107 Ca 0.00 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3mqh s ALA 107 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3mqh s ALA 107 CO 0.00 -1.46 -0.11 0.99 0.00 0.00 0.00 175.76 175.18 3mqh s THR 108 N -1.34 2.93 -0.38 0.00 2.01 0.02 -1.17 115.64 117.71 3mqh s THR 108 Ca 0.76 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 3mqh s THR 108 Cb -0.39 -2.28 0.06 0.00 0.01 0.00 0.00 72.50 69.90 3mqh s THR 108 CO 0.44 0.48 0.19 -0.76 -0.69 0.00 0.00 174.62 174.29 3mqh s LEU 109 N 1.10 4.81 0.85 4.42 1.43 0.03 -0.70 118.68 130.61 3mqh s LEU 109 Ca 0.00 -1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 51.64 3mqh s LEU 109 Cb -0.14 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.24 3mqh s LEU 109 CO -0.03 -0.45 1.12 -0.83 0.23 0.00 0.00 176.35 176.40 3mqh s GLY 110 N 1.78 1.69 -0.06 -3.19 0.00 0.58 -0.45 107.32 107.67 3mqh s GLY 110 Ca 0.02 0.45 -0.39 0.00 0.00 0.00 0.00 44.72 44.79 3mqh s GLY 110 CO 0.02 0.83 1.35 0.00 0.00 0.00 0.00 173.10 175.30 3mqh n ALA 111 N -3.89 -1.71 -1.26 3.20 0.00 -1.26 -1.69 120.51 113.89 3mqh n ALA 111 Ca 0.11 0.52 -0.09 0.00 0.00 0.00 0.00 53.44 53.97 3mqh n ALA 111 Cb 0.52 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 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 2.83 -4.82 -4.79 0.00 5.15 -0.42 -0.57 115.26 112.63 3mqh n ASN 112 Ca 0.22 0.22 -0.29 0.00 -0.60 0.00 0.00 54.58 54.13 3mqh n ASN 112 Cb 0.12 -3.12 0.12 0.00 -0.53 0.00 0.00 39.78 36.37 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 -3.25 0.32 -0.24 0.00 2.01 0.19 -0.99 115.64 113.67 3mqh s THR 114 Ca 0.63 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.50 3mqh s THR 114 Cb -0.15 -0.30 0.04 0.00 0.01 0.00 0.00 72.50 72.11 3mqh s THR 114 CO 0.53 0.11 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.78 3mqh s VAL 115 N 0.15 2.44 0.09 3.82 1.01 -0.23 -0.12 120.40 127.56 3mqh s VAL 115 Ca -0.01 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 3mqh s VAL 115 Cb -0.04 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 3mqh s VAL 115 CO -0.00 0.17 1.42 -0.69 0.00 0.00 0.00 175.10 175.99 3mqh s VAL 116 N 1.23 3.34 0.58 2.92 1.01 0.14 -3.42 120.40 126.20 3mqh s VAL 116 Ca -0.03 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 3mqh s VAL 116 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3mqh s VAL 116 CO -0.06 0.05 1.15 0.00 0.00 0.00 0.00 175.10 176.24 3mqh n GLY 118 N 1.05 3.44 3.79 0.00 0.00 -0.09 -4.89 105.19 108.49 3mqh n GLY 118 Ca 0.13 0.00 -0.36 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 -2.98 3.00 -0.09 4.61 0.00 -1.16 -4.89 121.76 120.25 3mqh s ALA 119 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 3mqh s ALA 119 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3mqh s ALA 119 CO 0.00 -0.30 -0.01 0.99 0.00 0.00 0.00 175.76 176.44 3mqh s THR 120 N -1.75 4.24 -0.21 0.00 2.01 -1.26 -3.34 115.64 115.33 3mqh s THR 120 Ca 0.62 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3mqh s THR 120 Cb -0.21 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 3mqh s THR 120 CO 0.26 0.59 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.09 3mqh s ILE 121 N -0.76 3.26 0.95 1.82 1.01 -0.08 -1.08 121.20 126.33 3mqh s ILE 121 Ca 0.12 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3mqh s ILE 121 Cb -0.11 -2.47 0.17 0.00 0.01 0.00 0.00 42.46 40.05 3mqh s ILE 121 CO 0.02 0.44 1.17 -0.83 0.00 0.00 0.00 174.94 175.74 3mqh s GLY 122 N 1.36 1.61 0.12 6.18 0.00 0.46 -0.60 107.32 116.45 3mqh s GLY 122 Ca 0.04 -0.70 -0.34 0.00 0.00 0.00 0.00 44.72 43.72 3mqh s GLY 122 CO -0.03 -0.07 1.63 0.54 0.00 0.00 0.00 173.10 175.17 3mqh n ARG 123 N -3.88 2.15 -1.59 2.90 1.74 -1.26 -1.77 116.66 114.95 3mqh n ARG 123 Ca 0.09 0.78 -0.20 0.00 -0.77 0.00 0.00 57.85 57.74 3mqh n ARG 123 Cb 0.59 -2.56 -0.09 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 3.95 -0.00 -0.73 -1.55 4.01 -0.23 -0.35 117.16 122.25 3mqh n TYR 124 Ca 0.18 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.60 3mqh n TYR 124 Cb 0.29 -3.44 0.16 0.00 -0.31 0.00 0.00 39.34 36.04 3mqh n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqh n ALA 125 N 1.37 -0.84 -3.70 -0.72 0.00 -0.73 -3.77 120.51 112.12 3mqh n ALA 125 Ca -0.20 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.45 3mqh n ALA 125 Cb 0.68 -2.18 -0.17 0.00 0.00 0.00 0.00 19.45 17.78 3mqh n ALA 125 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3mqh s PHE 126 N -2.56 0.59 -0.34 0.00 5.36 0.30 -0.80 117.98 120.53 3mqh s PHE 126 Ca 0.67 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 56.10 3mqh s PHE 126 Cb -0.24 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.62 3mqh s PHE 126 CO 0.58 -0.46 0.34 0.08 -1.46 0.00 0.00 175.22 174.29 3mqh s VAL 127 N 2.00 5.19 0.81 3.12 1.01 0.12 -1.57 120.40 131.08 3mqh s VAL 127 Ca 0.02 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 3mqh s VAL 127 Cb -0.15 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.52 3mqh s VAL 127 CO -0.07 -0.06 1.21 -0.83 0.00 0.00 0.00 175.10 175.35 3mqh s GLY 128 N 1.73 2.17 0.14 4.51 0.00 0.02 -0.30 107.32 115.59 3mqh s GLY 128 Ca 0.11 0.85 -0.34 0.00 0.00 0.00 0.00 44.72 45.34 3mqh s GLY 128 CO 0.11 1.28 1.28 0.00 0.00 0.00 0.00 173.10 175.77 3mqh n ALA 129 N -3.29 -0.61 -0.84 3.20 0.00 -1.26 -1.77 120.51 115.94 3mqh n ALA 129 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3mqh n ALA 129 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.32 1.00 3.75 0.00 0.00 0.26 -4.83 105.19 107.69 3mqh n GLY 130 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.46 2.22 -0.31 4.61 0.00 -0.73 -4.71 121.76 119.38 3mqh s ALA 131 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3mqh s ALA 131 Cb 0.00 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.86 3mqh s ALA 131 CO 0.00 -1.72 0.00 0.08 0.00 0.00 0.00 175.76 174.12 3mqh s VAL 132 N -2.56 2.60 -0.19 0.00 1.01 -0.54 -0.64 120.40 120.08 3mqh s VAL 132 Ca 0.65 -1.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 3mqh s VAL 132 Cb -0.20 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3mqh s VAL 132 CO 0.50 -0.28 0.81 -0.69 0.00 0.00 0.00 175.10 175.44 3mqh s VAL 133 N 1.11 4.88 -0.05 2.92 1.01 0.83 0.06 120.40 131.15 3mqh s VAL 133 Ca -0.01 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.62 3mqh s VAL 133 Cb -0.20 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.20 3mqh s VAL 133 CO -0.04 0.01 1.07 -0.46 0.00 0.00 0.00 175.10 175.67 3mqh n ASN 134 N 5.41 0.83 -3.85 3.32 6.94 -1.26 -0.68 115.26 125.97 3mqh n ASN 134 Ca 0.04 -2.39 -0.09 0.00 -0.02 0.00 0.00 54.58 52.11 3mqh n ASN 134 Cb 0.49 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 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 1.35 0.48 -3.83 -2.85 -1.26 -4.98 119.74 107.67 3mqh s LYS 135 Ca 0.13 -1.02 -0.23 0.00 -1.00 0.00 0.00 55.97 53.85 3mqh s LYS 135 Cb 0.13 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.29 3mqh s LYS 135 CO -0.01 -0.55 1.22 -0.25 0.10 0.00 0.00 175.35 175.87 3mqh n ASP 136 N -0.31 2.21 -4.26 0.03 8.00 -1.26 -4.74 116.55 116.22 3mqh n ASP 136 Ca -0.08 1.03 -0.35 0.00 0.71 0.00 0.00 54.79 56.10 3mqh n ASP 136 Cb 0.62 -1.49 -0.14 0.00 -0.02 0.00 0.00 41.12 40.09 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 -1.27 3.15 0.83 2.53 1.01 -0.24 -4.97 120.40 121.44 3mqh s VAL 137 Ca 0.66 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 3mqh s VAL 137 Cb -0.48 -2.52 0.10 0.00 0.00 0.00 0.00 36.38 33.48 3mqh s VAL 137 CO 0.54 0.30 1.13 -2.84 0.00 0.00 0.00 175.10 174.23 3mqh s PRO 138 N 1.41 1.66 0.22 2.72 0.02 -1.26 -0.40 135.00 139.35 3mqh s PRO 138 Ca 0.03 1.42 -0.31 0.00 0.02 0.00 0.00 61.00 62.15 3mqh s PRO 138 Cb -0.15 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.41 3mqh s PRO 138 CO -0.04 -2.13 1.18 -0.25 -0.33 0.00 0.00 177.00 175.43 3mqh n ASP 139 N -3.76 1.65 0.00 2.53 8.00 -1.26 -1.48 116.55 122.23 3mqh n ASP 139 Ca 0.11 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.76 3mqh n ASP 139 Cb 0.52 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 1.28 0.00 -2.48 1.24 3.01 0.53 -4.52 117.46 116.51 3mqh n PHE 140 Ca 0.13 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.18 3mqh n PHE 140 Cb 0.28 -0.91 -0.04 0.00 -0.01 0.00 0.00 39.48 38.79 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 -2.14 3.40 -0.28 4.37 0.00 -0.55 -0.20 121.76 126.36 3mqh s ALA 141 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 3mqh s ALA 141 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3mqh s ALA 141 CO 0.00 -0.18 0.19 -1.17 0.00 0.00 0.00 175.76 174.60 3mqh s LEU 142 N -1.15 4.02 0.01 0.00 2.96 -0.37 -0.54 118.68 123.60 3mqh s LEU 142 Ca 0.46 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 3mqh s LEU 142 Cb -0.31 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3mqh s LEU 142 CO 0.39 -0.04 -0.18 0.68 -1.32 0.00 0.00 176.35 175.88 3mqh s VAL 143 N 1.70 1.43 0.06 1.68 -7.23 -0.61 -1.11 120.40 116.32 3mqh s VAL 143 Ca 0.07 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3mqh s VAL 143 Cb -0.16 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 3mqh s VAL 143 CO 0.10 0.31 0.06 0.68 -0.31 0.00 0.00 175.10 175.94 3mqh s VAL 144 N -0.56 0.18 0.00 1.32 -7.23 -0.70 -0.80 120.40 112.62 3mqh s VAL 144 Ca 0.06 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3mqh s VAL 144 Cb -0.07 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3mqh s VAL 144 CO 0.00 -0.83 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 3mqh n GLY 145 N 0.17 1.21 2.92 2.32 0.00 -1.26 -0.82 105.19 109.72 3mqh n GLY 145 Ca -0.15 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.66 1.74 0.78 1.61 1.01 -1.26 -1.47 120.40 121.15 3mqh s VAL 146 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 61.98 59.97 3mqh s VAL 146 Cb 0.00 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.20 3mqh s VAL 146 CO 0.00 -0.55 1.13 -2.16 0.00 0.00 0.00 175.10 173.52 3mqh s PRO 147 N 1.20 2.25 0.24 2.72 0.04 -1.26 -5.01 135.00 135.17 3mqh s PRO 147 Ca 0.08 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 3mqh s PRO 147 Cb -0.18 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3mqh s PRO 147 CO -0.13 -1.44 1.23 0.00 0.04 0.00 0.00 177.00 176.70 3mqh s ALA 148 N -3.40 3.47 0.10 8.56 0.00 0.11 -4.83 121.76 125.76 3mqh s ALA 148 Ca 0.60 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.69 3mqh s ALA 148 Cb -0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3mqh s ALA 148 CO 0.51 -0.43 -0.18 1.03 0.00 0.00 0.00 175.76 176.70 3mqh s ARG 149 N -0.81 1.01 -0.05 0.00 1.81 -0.00 -4.84 118.95 116.07 3mqh s ARG 149 Ca 0.51 -1.10 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 3mqh s ARG 149 Cb -0.35 -1.13 -0.02 0.00 -0.45 0.00 0.00 34.95 32.99 3mqh s ARG 149 CO 0.42 0.26 1.04 -1.14 -0.68 0.00 0.00 175.30 175.19 3mqh s GLN 150 N -1.96 4.46 0.00 3.54 0.74 -1.26 -1.72 119.66 123.47 3mqh s GLN 150 Ca 0.04 1.46 0.05 0.00 0.05 0.00 0.00 55.36 56.97 3mqh s GLN 150 Cb -0.09 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.48 3mqh s GLN 150 CO 0.04 -0.23 0.32 0.44 -0.55 0.00 0.00 175.29 175.31 3mqh n ILE 151 N 4.28 0.00 -2.64 -2.34 -5.35 -0.27 -4.99 119.36 108.06 3mqh n ILE 151 Ca 0.08 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3mqh n ILE 151 Cb 0.49 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 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 0.95 -0.59 2.97 3.28 0.00 -1.19 -5.02 105.19 105.58 3mqh n GLY 152 Ca 0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.14 0.42 -0.11 1.61 0.52 -1.26 -1.24 118.94 115.75 3mqh s TRP 153 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 55.92 3mqh s TRP 153 Cb 0.00 -0.27 -0.01 0.00 -1.15 0.00 0.00 33.47 32.04 3mqh s TRP 153 CO 0.00 -0.04 -0.17 1.41 0.02 0.00 0.00 176.95 178.17 3mqh s MET 154 N -0.58 3.13 0.92 4.98 1.75 0.72 -0.71 119.30 129.50 3mqh s MET 154 Ca -0.03 -0.75 -0.11 0.00 -1.25 0.00 0.00 55.69 53.55 3mqh s MET 154 Cb -0.04 -2.48 0.14 0.00 2.84 0.00 0.00 34.83 35.29 3mqh s MET 154 CO -0.00 0.28 1.09 -1.54 -0.65 0.00 0.00 175.02 174.20 3mqh s SER 155 N 0.16 3.17 0.29 1.11 1.04 -0.13 -4.69 113.70 114.65 3mqh s SER 155 Ca -0.09 1.60 0.04 0.00 0.48 0.00 0.00 55.95 57.98 3mqh s SER 155 Cb -0.15 -2.26 0.71 0.00 0.10 0.00 0.00 66.02 64.41 3mqh s SER 155 CO 0.06 -2.85 1.73 0.03 0.98 0.00 0.00 173.24 173.19 3mqh h ARG 156 N -1.69 0.52 0.00 4.02 3.08 -1.90 -0.41 114.38 117.99 3mqh h ARG 156 Ca -0.50 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 3mqh h ARG 156 Cb 1.28 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3mqh h ARG 156 CO 0.52 0.34 -0.15 1.25 -1.07 0.00 0.00 179.97 180.86 3mqh h HIS 157 N 0.53 0.00 0.00 3.04 2.76 -1.99 -3.46 115.15 116.03 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 0.97 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.93 3mqh h HIS 157 CO -0.09 0.15 0.00 0.41 -1.30 0.00 0.00 177.93 177.11 3mqh n GLY 158 N -0.52 1.90 3.26 5.26 0.00 -0.16 -5.13 105.19 109.79 3mqh n GLY 158 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.51 1.05 0.39 1.61 2.02 -1.26 -4.89 118.70 117.11 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 -1.19 -0.09 0.00 0.10 0.00 0.00 34.13 32.94 3mqh s GLU 159 CO 0.00 0.27 1.30 -0.65 0.02 0.00 0.00 175.26 176.20 3mqh s GLN 160 N -2.04 4.07 -0.00 1.61 -0.21 -1.26 -0.96 119.66 120.87 3mqh s GLN 160 Ca 0.06 2.17 -0.15 0.00 0.02 0.00 0.00 55.36 57.46 3mqh s GLN 160 Cb -0.09 -2.84 -0.06 0.00 1.00 0.00 0.00 33.01 31.03 3mqh s GLN 160 CO 0.04 -0.41 0.40 -0.51 -2.12 0.00 0.00 175.29 172.69 3mqh s LEU 161 N -2.26 4.47 -1.41 2.90 1.43 0.11 -4.62 118.68 119.29 3mqh s LEU 161 Ca 0.55 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.46 3mqh s LEU 161 Cb -0.38 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3mqh s LEU 161 CO 0.50 0.33 2.11 -0.67 0.23 0.00 0.00 176.35 178.84 3mqh n ASP 162 N 1.81 4.19 -4.09 2.29 2.03 -1.26 -4.55 116.55 116.96 3mqh n ASP 162 Ca -0.14 -2.89 -0.21 0.00 0.52 0.00 0.00 54.79 52.07 3mqh n ASP 162 Cb 0.52 -1.65 -0.15 0.00 -0.72 0.00 0.00 41.12 39.13 3mqh n ASP 162 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mqh s LEU 163 N 2.13 2.04 0.89 -2.67 1.43 -1.26 -4.75 118.68 116.49 3mqh s LEU 163 Ca 0.47 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3mqh s LEU 163 Cb 0.12 -0.65 0.13 0.00 0.03 0.00 0.00 46.19 45.81 3mqh s LEU 163 CO -0.05 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 3mqh s PRO 164 N -0.41 1.29 0.29 1.29 0.04 -1.26 -4.82 135.00 131.42 3mqh s PRO 164 Ca 0.04 0.89 0.10 0.00 0.04 0.00 0.00 61.00 62.07 3mqh s PRO 164 Cb -0.05 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 33.12 3mqh s PRO 164 CO -0.00 -2.24 1.66 -0.07 0.04 0.00 0.00 177.00 176.39 3mqh h LEU 165 N -1.55 0.06 -8.74 -3.56 3.38 -1.96 -3.46 115.31 99.47 3mqh h LEU 165 Ca -0.49 -0.03 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 3mqh h LEU 165 Cb 1.28 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 3mqh h LEU 165 CO 0.53 0.59 -0.73 -0.13 0.09 0.00 0.00 178.44 178.79 3mqh s ARG 166 N -3.82 1.16 2.14 1.13 0.52 -1.26 -4.64 118.95 114.18 3mqh s ARG 166 Ca -0.02 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 3mqh s ARG 166 Cb 0.13 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.74 3mqh s ARG 166 CO 0.76 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.62 3mqh n GLY 167 N -0.17 -0.29 3.28 -3.53 0.00 -1.26 -4.74 105.19 98.48 3mqh n GLY 167 Ca -0.10 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 3.05 0.11 1.61 0.01 -1.26 -0.98 114.94 113.47 3mqh s ASN 168 Ca 0.00 -0.50 -0.25 0.00 -0.71 0.00 0.00 52.86 51.40 3mqh s ASN 168 Cb 0.00 -0.69 0.08 0.00 0.41 0.00 0.00 41.25 41.05 3mqh s ASN 168 CO 0.00 0.27 1.10 0.00 -1.51 0.00 0.00 177.10 176.96 3mqh s ALA 169 N -0.29 -1.86 0.04 0.60 0.00 -0.44 -4.99 121.76 114.82 3mqh s ALA 169 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3mqh s ALA 169 Cb -0.13 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 3mqh s ALA 169 CO 0.02 -1.07 -0.04 -1.21 0.00 0.00 0.00 175.76 173.46 3mqh s GLU 170 N -2.51 0.51 0.16 0.00 2.02 -1.26 -0.42 118.70 117.20 3mqh s GLU 170 Ca 0.19 -0.93 -0.21 0.00 0.02 0.00 0.00 54.97 54.04 3mqh s GLU 170 Cb -0.00 0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.33 3mqh s GLU 170 CO 0.02 -0.05 0.55 0.00 0.02 0.00 0.00 175.26 175.80 3mqh s ALA 171 N -2.55 -1.37 0.08 5.21 0.00 -0.75 -4.90 121.76 117.48 3mqh s ALA 171 Ca -0.04 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.26 3mqh s ALA 171 Cb -0.02 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3mqh s ALA 171 CO -0.04 -0.75 -0.11 0.95 0.00 0.00 0.00 175.76 175.80 3mqh s THR 172 N -3.78 3.30 0.13 0.00 -4.23 -1.26 -0.04 115.64 109.76 3mqh s THR 172 Ca 0.02 -1.21 -0.33 0.00 -1.18 0.00 0.00 61.69 58.99 3mqh s THR 172 Cb -0.00 -2.51 -0.13 0.00 1.34 0.00 0.00 72.50 71.20 3mqh s THR 172 CO -0.11 0.17 1.70 0.00 -0.54 0.00 0.00 174.62 175.84 3mqh h PRO 174 N 7.04 0.00 0.00 0.00 0.13 -1.89 0.38 132.00 137.65 3mqh h PRO 174 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 3mqh h PRO 174 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3mqh h PRO 174 CO 0.92 0.00 -1.18 1.58 -0.23 0.00 0.00 178.00 179.09 3mqh n HIS 175 N -2.98 0.84 0.65 1.56 -0.00 -1.26 -4.69 115.22 109.35 3mqh n HIS 175 Ca -0.00 0.37 0.11 0.00 0.46 0.00 0.00 57.72 58.65 3mqh n HIS 175 Cb 0.22 -0.97 -0.09 0.00 -0.12 0.00 0.00 29.99 29.03 3mqh n HIS 175 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3mqh n THR 176 N -4.47 0.03 -0.41 3.57 -2.24 -1.22 -4.99 114.28 104.56 3mqh n THR 176 Ca -0.27 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3mqh n THR 176 Cb 0.58 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.41 1.86 3.77 3.38 0.00 0.12 -4.96 105.19 110.76 3mqh n GLY 177 Ca 0.02 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 -0.05 3.81 0.10 1.61 -1.05 -1.26 -4.41 118.70 117.44 3mqh s GLU 178 Ca 0.00 2.00 -0.16 0.00 -0.15 0.00 0.00 54.97 56.67 3mqh s GLU 178 Cb 0.00 -2.57 -0.07 0.00 -0.44 0.00 0.00 34.13 31.05 3mqh s GLU 178 CO 0.00 -0.58 0.52 0.50 0.95 0.00 0.00 175.26 176.66 3mqh s ARG 179 N -2.47 4.02 0.09 -4.83 3.52 -1.26 -0.68 118.95 117.34 3mqh s ARG 179 Ca 0.61 0.53 0.10 0.00 -0.13 0.00 0.00 55.73 56.84 3mqh s ARG 179 Cb -0.34 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3mqh s ARG 179 CO 0.43 0.56 -0.25 0.71 -0.81 0.00 0.00 175.30 175.94 3mqh s TYR 180 N -1.30 2.17 -0.13 5.12 1.51 0.94 -1.36 117.35 124.30 3mqh s TYR 180 Ca 0.33 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3mqh s TYR 180 Cb -0.16 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 3mqh s TYR 180 CO 0.18 0.21 -0.17 0.42 -1.11 0.00 0.00 175.55 175.08 3mqh s ILE 181 N -0.95 2.60 -0.23 2.71 1.01 0.40 -1.80 121.20 124.95 3mqh s ILE 181 Ca 0.11 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3mqh s ILE 181 Cb -0.10 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3mqh s ILE 181 CO 0.04 0.53 0.10 -0.22 0.00 0.00 0.00 174.94 175.39 3mqh s LEU 182 N 0.50 3.75 -0.12 2.97 2.96 0.44 -1.06 118.68 128.12 3mqh s LEU 182 Ca -0.12 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3mqh s LEU 182 Cb -0.16 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3mqh s LEU 182 CO 0.05 0.06 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.18 3mqh s THR 183 N 1.09 0.96 -1.52 3.68 2.01 0.02 -1.33 115.64 120.55 3mqh s THR 183 Ca 0.05 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 3mqh s THR 183 Cb -0.14 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.41 3mqh s THR 183 CO 0.04 0.32 0.60 0.47 -0.69 0.00 0.00 174.62 175.35 3mqh n ASP 184 N 4.96 -1.75 -0.14 3.53 10.43 -0.44 -1.60 116.55 131.53 3mqh n ASP 184 Ca -0.12 -0.99 -0.02 0.00 2.57 0.00 0.00 54.79 56.24 3mqh n ASP 184 Cb 0.50 -3.03 -0.01 0.00 1.84 0.00 0.00 41.12 40.42 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 -1.76 0.51 3.28 0.44 0.00 -0.15 -4.70 105.19 102.80 3mqh n GLY 185 Ca -0.15 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.88 2.79 -0.18 1.61 1.01 -0.63 -4.93 120.40 118.19 3mqh s VAL 186 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 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 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.75 3mqh s ARG 188 N 0.02 0.70 0.05 0.00 1.70 -0.23 -4.79 118.95 116.41 3mqh s ARG 188 Ca 0.11 -1.18 -0.30 0.00 -0.47 0.00 0.00 55.73 53.89 3mqh s ARG 188 Cb -0.11 -0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.12 3mqh s ARG 188 CO 0.00 -0.03 1.15 -1.17 -1.08 0.00 0.00 175.30 174.17 3mqh s LEU 189 N -2.70 4.37 0.00 -1.89 2.96 -1.26 -0.45 118.68 119.71 3mqh s LEU 189 Ca 0.06 1.95 0.14 0.00 -0.22 0.00 0.00 54.13 56.06 3mqh s LEU 189 Cb 0.03 -3.58 0.87 0.00 0.50 0.00 0.00 46.19 44.00 3mqh s LEU 189 CO -0.05 -0.42 1.28 0.00 -1.32 0.00 0.00 176.35 175.84