#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 0.29 0.24 1.61 -0.00 -1.26 -5.13 115.29 111.04 3mqh s HIS 0 Ca 0.00 -0.67 -0.30 0.00 -0.00 0.00 0.00 55.06 54.09 3mqh s HIS 0 Cb 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 32.58 32.44 3mqh s HIS 0 CO 0.00 -0.66 1.43 1.41 -0.00 0.00 0.00 174.74 176.92 3mqh s MET 1 N -3.92 4.28 0.37 -0.38 1.75 -1.26 -4.97 119.30 115.16 3mqh s MET 1 Ca 0.12 2.28 -0.28 0.00 -1.25 0.00 0.00 55.69 56.56 3mqh s MET 1 Cb 0.04 -3.12 -0.11 0.00 2.84 0.00 0.00 34.83 34.47 3mqh s MET 1 CO -0.04 -0.41 1.37 0.00 -0.65 0.00 0.00 175.02 175.29 3mqh n ALA 2 N 2.38 1.73 -1.97 4.11 0.00 -1.26 -4.98 120.51 120.52 3mqh n ALA 2 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3mqh n ALA 2 Cb 0.40 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3mqh n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mqh n THR 3 N 0.31 0.00 -4.02 0.00 -2.24 -1.26 -4.85 114.28 102.21 3mqh n THR 3 Ca 0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3mqh n THR 3 Cb 0.38 -0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.00 1.61 0.36 2.28 1.01 -1.26 -1.17 121.20 124.03 3mqh s ILE 4 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 3mqh s ILE 4 Cb 0.00 -1.52 -0.11 0.00 0.01 0.00 0.00 42.46 40.84 3mqh s ILE 4 CO 0.00 0.44 1.44 -2.28 0.00 0.00 0.00 174.94 174.54 3mqh s HIS 5 N 1.47 2.72 0.60 3.97 5.65 -0.10 -4.85 115.29 124.75 3mqh s HIS 5 Ca 0.05 1.22 0.30 0.00 0.25 0.00 0.00 55.06 56.88 3mqh s HIS 5 Cb -0.13 -3.93 1.69 0.00 -1.18 0.00 0.00 32.58 29.03 3mqh s HIS 5 CO -0.11 -2.69 2.07 -1.35 -0.65 0.00 0.00 174.74 172.01 3mqh h PRO 6 N 3.19 0.00 0.00 2.88 0.11 -1.93 -0.18 132.00 136.07 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mqh h PRO 6 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 3mqh n THR 7 N -3.63 0.53 -1.86 -1.15 -2.24 -1.26 -4.84 114.28 99.83 3mqh n THR 7 Ca 0.02 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 3mqh n THR 7 Cb 0.36 -0.69 0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -3.11 2.54 -0.27 6.98 0.00 -0.08 -4.05 121.76 123.76 3mqh s ALA 8 Ca 0.10 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3mqh s ALA 8 Cb 0.13 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 20.00 3mqh s ALA 8 CO 0.53 -1.14 -0.08 0.42 0.00 0.00 0.00 175.76 175.48 3mqh s ILE 9 N -2.29 2.43 -0.33 0.00 1.01 0.52 -4.93 121.20 117.61 3mqh s ILE 9 Ca 0.67 -1.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3mqh s ILE 9 Cb -0.20 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 39.90 3mqh s ILE 9 CO 0.39 -0.03 0.08 -0.69 0.00 0.00 0.00 174.94 174.68 3mqh s VAL 10 N 1.16 3.60 0.47 2.92 1.01 -1.26 -1.23 120.40 127.06 3mqh s VAL 10 Ca -0.07 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 3mqh s VAL 10 Cb -0.20 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 3mqh s VAL 10 CO -0.04 -0.15 1.10 -1.81 0.00 0.00 0.00 175.10 174.20 3mqh s ASP 11 N 1.37 6.23 0.26 3.32 1.01 -0.20 -4.90 116.67 123.76 3mqh s ASP 11 Ca -0.02 2.11 -0.31 0.00 0.71 0.00 0.00 52.55 55.04 3mqh s ASP 11 Cb -0.19 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 41.03 3mqh s ASP 11 CO 0.02 -0.86 1.49 1.21 0.21 0.00 0.00 175.17 177.24 3mqh n GLU 12 N -0.73 2.32 0.00 8.23 4.07 -1.26 -2.07 120.64 131.20 3mqh n GLU 12 Ca 0.08 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 3mqh n GLU 12 Cb 0.50 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 3mqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mqh n GLY 13 N 2.18 2.75 3.78 8.31 0.00 -1.26 -4.39 105.19 116.56 3mqh n GLY 13 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 3.57 -0.29 4.61 0.00 -0.70 -4.72 121.76 121.65 3mqh s ALA 14 Ca 0.00 1.52 -0.08 0.00 0.00 0.00 0.00 51.96 53.40 3mqh s ALA 14 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3mqh s ALA 14 CO 0.00 -0.98 0.11 0.50 0.00 0.00 0.00 175.76 175.39 3mqh s ARG 15 N -1.98 3.32 -0.11 0.00 3.52 -0.62 -5.02 118.95 118.06 3mqh s ARG 15 Ca 0.52 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 3mqh s ARG 15 Cb -0.45 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3mqh s ARG 15 CO 0.61 -0.38 -0.20 0.42 -0.81 0.00 0.00 175.30 174.94 3mqh s ILE 16 N 1.57 1.84 0.82 4.11 1.01 -1.26 -0.87 121.20 128.43 3mqh s ILE 16 Ca 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3mqh s ILE 16 Cb -0.17 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.77 3mqh s ILE 16 CO 0.04 0.51 1.09 -0.83 0.00 0.00 0.00 174.94 175.75 3mqh s GLY 17 N 0.64 1.63 0.60 6.18 0.00 0.42 -4.98 107.32 111.82 3mqh s GLY 17 Ca -0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.37 3mqh s GLY 17 CO 0.03 0.40 1.22 0.00 0.00 0.00 0.00 173.10 174.75 3mqh n ALA 18 N -3.61 1.01 -1.19 3.20 0.00 -1.26 -3.26 120.51 115.39 3mqh n ALA 18 Ca 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 3mqh n ALA 18 Cb 0.55 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 -1.57 0.00 -3.20 0.00 8.25 -1.26 -1.66 115.22 115.78 3mqh n HIS 19 Ca 0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.29 3mqh n HIS 19 Cb 0.47 -1.67 -0.04 0.00 1.12 0.00 0.00 29.99 29.87 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 -2.52 6.57 -0.09 0.41 0.01 -1.20 -3.64 113.70 113.23 3mqh s SER 20 Ca 0.00 0.97 0.02 0.00 1.31 0.00 0.00 55.95 58.26 3mqh s SER 20 Cb 0.00 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3mqh s SER 20 CO 0.00 -0.22 -0.16 -0.13 0.41 0.00 0.00 173.24 173.14 3mqh s ARG 21 N -3.33 2.24 -0.13 12.44 0.52 0.00 -4.75 118.95 125.94 3mqh s ARG 21 Ca 0.48 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 3mqh s ARG 21 Cb -0.11 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.55 3mqh s ARG 21 CO 0.26 0.01 -0.15 0.42 0.02 0.00 0.00 175.30 175.86 3mqh s ILE 22 N 0.76 1.59 0.00 1.52 1.01 -0.31 -0.88 121.20 124.88 3mqh s ILE 22 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3mqh s ILE 22 Cb -0.16 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3mqh s ILE 22 CO 0.02 0.46 0.00 0.79 0.00 0.00 0.00 174.94 176.21 3mqh n TRP 23 N 4.41 -0.39 -1.87 3.97 7.02 -0.38 -0.92 117.44 129.28 3mqh n TRP 23 Ca -0.18 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.88 3mqh n TRP 23 Cb 0.51 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 1.62 2.96 -1.47 -5.99 3.76 -1.26 -3.28 115.29 111.63 3mqh s HIS 24 Ca 0.00 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 3mqh s HIS 24 Cb 0.00 -3.99 0.06 0.00 1.11 0.00 0.00 32.58 29.77 3mqh s HIS 24 CO 0.00 -3.54 0.97 0.91 -0.85 0.00 0.00 174.74 172.23 3mqh n TRP 25 N 3.39 -2.32 -3.08 1.40 8.01 -1.26 -1.56 117.44 122.03 3mqh n TRP 25 Ca 0.12 0.91 -0.39 0.00 -1.31 0.00 0.00 57.50 56.83 3mqh n TRP 25 Cb 0.38 -4.19 -0.06 0.00 -2.01 0.00 0.00 31.31 25.43 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 -3.36 4.56 -0.16 -0.99 1.01 -1.20 -3.37 120.40 116.89 3mqh s VAL 26 Ca 0.54 1.53 0.02 0.00 0.00 0.00 0.00 61.98 64.07 3mqh s VAL 26 Cb -0.27 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.07 3mqh s VAL 26 CO 0.81 0.50 -0.20 -2.28 0.00 0.00 0.00 175.10 173.93 3mqh s HIS 27 N -0.90 2.66 -0.16 5.22 2.46 -0.76 -0.35 115.29 123.46 3mqh s HIS 27 Ca 0.34 -1.48 -0.01 0.00 0.47 0.00 0.00 55.06 54.38 3mqh s HIS 27 Cb -0.21 -1.84 -0.01 0.00 -0.13 0.00 0.00 32.58 30.39 3mqh s HIS 27 CO 0.23 -0.72 -0.11 0.42 -2.47 0.00 0.00 174.74 172.09 3mqh s ILE 28 N 1.12 3.05 0.61 0.89 1.01 -0.37 -1.29 121.20 126.22 3mqh s ILE 28 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3mqh s ILE 28 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3mqh s ILE 28 CO -0.08 0.50 1.04 0.00 0.00 0.00 0.00 174.94 176.39 3mqh h GLY 30 N 0.09 0.00 1.87 0.00 0.00 -1.77 -2.76 103.07 100.50 3mqh h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mqh h GLY 30 CO 0.59 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.66 3mqh n GLY 31 N -1.30 -1.59 3.77 4.60 0.00 -1.26 -1.72 105.19 107.69 3mqh n GLY 31 Ca -0.03 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3mqh n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh s ALA 32 N -3.07 2.79 -0.07 4.61 0.00 -1.04 -4.68 121.76 120.30 3mqh s ALA 32 Ca 0.11 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3mqh s ALA 32 Cb 0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3mqh s ALA 32 CO 0.59 -0.76 -0.17 -1.21 0.00 0.00 0.00 175.76 174.21 3mqh s GLU 33 N -3.07 2.09 -0.04 0.00 2.02 -0.91 -1.59 118.70 117.19 3mqh s GLU 33 Ca 0.70 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 55.10 3mqh s GLU 33 Cb -0.26 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.30 3mqh s GLU 33 CO 0.30 0.14 -0.04 0.42 0.02 0.00 0.00 175.26 176.10 3mqh s ILE 34 N 0.38 0.49 0.00 -1.63 1.01 -0.05 -0.68 121.20 120.73 3mqh s ILE 34 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3mqh s ILE 34 Cb -0.15 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.80 3mqh s ILE 34 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3mqh n GLY 35 N 3.94 -0.60 3.87 6.18 0.00 -0.36 -0.43 105.19 117.79 3mqh n GLY 35 Ca -0.25 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 0.11 3.77 -0.93 1.61 2.02 -1.26 -2.46 118.70 121.56 3mqh s GLU 36 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3mqh s GLU 36 Cb 0.00 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3mqh s GLU 36 CO 0.00 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3mqh n GLY 37 N 0.47 1.01 3.91 -1.39 0.00 -0.67 -0.56 105.19 107.96 3mqh n GLY 37 Ca -0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 0.73 -0.20 0.00 0.15 -0.41 -0.82 113.70 108.87 3mqh s SER 39 Ca 0.53 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.10 3mqh s SER 39 Cb -0.11 -0.35 0.04 0.00 -1.71 0.00 0.00 66.02 63.90 3mqh s SER 39 CO 0.46 -0.06 -0.11 -0.76 1.20 0.00 0.00 173.24 173.97 3mqh s LEU 40 N 0.86 2.34 1.08 3.45 1.02 -0.06 -0.42 118.68 126.95 3mqh s LEU 40 Ca -0.10 -0.90 -0.18 0.00 0.02 0.00 0.00 54.13 52.97 3mqh s LEU 40 Cb -0.13 -1.28 0.25 0.00 0.02 0.00 0.00 46.19 45.05 3mqh s LEU 40 CO -0.00 -0.13 1.28 -0.83 0.02 0.00 0.00 176.35 176.68 3mqh s GLY 41 N 1.37 1.75 0.05 -3.19 0.00 -0.28 -1.25 107.32 105.78 3mqh s GLY 41 Ca -0.01 -1.26 -0.37 0.00 0.00 0.00 0.00 44.72 43.08 3mqh s GLY 41 CO -0.08 -0.39 1.35 -0.18 0.00 0.00 0.00 173.10 173.80 3mqh n GLN 42 N -4.20 1.05 -1.42 2.90 7.27 -1.26 -2.01 117.38 119.71 3mqh n GLN 42 Ca 0.16 0.38 -0.14 0.00 0.07 0.00 0.00 57.00 57.47 3mqh n GLN 42 Cb 0.59 -2.02 -0.06 0.00 2.41 0.00 0.00 30.24 31.17 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 2.62 -5.00 -4.71 1.69 5.15 -0.60 -1.34 115.26 113.07 3mqh n ASN 43 Ca 0.19 0.35 -0.38 0.00 -0.60 0.00 0.00 54.58 54.15 3mqh n ASN 43 Cb 0.18 -3.76 0.06 0.00 -0.53 0.00 0.00 39.78 35.72 3mqh n ASN 43 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3mqh n VAL 44 N -2.49 4.30 -5.02 3.44 0.31 -0.85 -4.37 118.33 113.65 3mqh n VAL 44 Ca -0.14 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.42 3mqh n VAL 44 Cb 0.52 -1.49 -0.16 0.00 -0.91 0.00 0.00 33.84 31.80 3mqh n VAL 44 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3mqh s PHE 45 N -1.37 1.86 -0.08 3.52 5.36 -0.83 -1.83 117.98 124.61 3mqh s PHE 45 Ca 0.77 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 3mqh s PHE 45 Cb -0.40 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 3mqh s PHE 45 CO 0.45 -0.03 -0.07 0.08 -1.46 0.00 0.00 175.22 174.19 3mqh s VAL 46 N -0.49 0.86 0.42 3.12 1.01 -0.41 0.09 120.40 125.00 3mqh s VAL 46 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 3mqh s VAL 46 Cb -0.08 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.52 3mqh s VAL 46 CO -0.01 0.32 0.48 0.61 0.00 0.00 0.00 175.10 176.50 3mqh n GLY 47 N 4.53 -1.84 0.13 4.51 0.00 -0.10 -0.93 105.19 111.50 3mqh n GLY 47 Ca -0.16 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.11 0.60 -1.71 1.61 2.35 -1.89 -3.35 115.58 112.07 3mqh h ASN 48 Ca -0.16 -0.93 -0.77 0.00 -0.55 0.00 0.00 56.30 53.89 3mqh h ASN 48 Cb 0.47 -0.20 -0.18 0.00 0.05 0.00 0.00 38.32 38.47 3mqh h ASN 48 CO 0.11 1.58 1.78 -1.14 -1.65 0.00 0.00 177.43 178.11 3mqh n ARG 49 N -3.90 4.06 -3.78 0.81 0.63 -1.26 -3.00 116.66 110.22 3mqh n ARG 49 Ca -0.18 -3.79 -0.13 0.00 -0.92 0.00 0.00 57.85 52.83 3mqh n ARG 49 Cb 0.96 -2.76 -0.14 0.00 0.45 0.00 0.00 32.46 30.96 3mqh n ARG 49 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 50 N -0.79 -0.03 -0.09 5.15 1.01 -1.26 -0.56 120.40 123.82 3mqh s VAL 50 Ca 0.40 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.53 3mqh s VAL 50 Cb 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.30 3mqh s VAL 50 CO 0.01 0.05 -0.19 -0.13 0.00 0.00 0.00 175.10 174.83 3mqh s ARG 51 N 0.77 2.52 -0.08 2.72 0.52 -1.24 -2.15 118.95 122.01 3mqh s ARG 51 Ca -0.06 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 3mqh s ARG 51 Cb -0.08 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3mqh s ARG 51 CO -0.03 0.10 -0.20 0.42 0.02 0.00 0.00 175.30 175.61 3mqh s ILE 52 N 0.53 1.70 0.00 1.52 1.01 0.14 -1.10 121.20 125.01 3mqh s ILE 52 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3mqh s ILE 52 Cb -0.17 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3mqh s ILE 52 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3mqh n GLY 53 N 3.57 -0.21 3.89 6.18 0.00 0.62 -1.22 105.19 118.01 3mqh n GLY 53 Ca -0.20 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.21 6.53 -1.46 1.61 0.01 -1.26 -1.96 114.94 117.20 3mqh s ASN 54 Ca 0.00 0.63 -0.09 0.00 -0.71 0.00 0.00 52.86 52.69 3mqh s ASN 54 Cb 0.00 -2.11 0.04 0.00 0.41 0.00 0.00 41.25 39.59 3mqh s ASN 54 CO 0.00 0.15 0.84 -1.14 -1.51 0.00 0.00 177.10 175.44 3mqh n ARG 55 N 0.64 -5.61 -3.15 -0.60 0.63 0.28 -1.18 116.66 107.67 3mqh n ARG 55 Ca -0.07 0.73 -0.40 0.00 -0.92 0.00 0.00 57.85 57.19 3mqh n ARG 55 Cb 0.52 -5.63 -0.06 0.00 0.45 0.00 0.00 32.46 27.75 3mqh n ARG 55 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqh s VAL 56 N -3.21 5.05 -0.27 5.15 1.01 -1.26 -3.32 120.40 123.54 3mqh s VAL 56 Ca 0.50 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 3mqh s VAL 56 Cb -0.24 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3mqh s VAL 56 CO 0.61 0.14 0.03 -0.54 0.00 0.00 0.00 175.10 175.34 3mqh s LYS 57 N 1.77 3.11 -0.23 2.72 1.02 -0.76 -1.29 119.74 126.07 3mqh s LYS 57 Ca 0.28 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 3mqh s LYS 57 Cb -0.16 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3mqh s LYS 57 CO 0.10 -0.38 -0.09 0.42 -0.92 0.00 0.00 175.35 174.48 3mqh s ILE 58 N 1.46 2.70 0.94 2.17 1.01 0.44 -0.68 121.20 129.25 3mqh s ILE 58 Ca 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 3mqh s ILE 58 Cb -0.16 -2.32 0.20 0.00 0.01 0.00 0.00 42.46 40.18 3mqh s ILE 58 CO 0.00 0.29 1.30 -1.10 0.00 0.00 0.00 174.94 175.42 3mqh s GLN 59 N 1.32 0.68 0.57 2.79 -1.52 -0.15 -1.12 119.66 122.22 3mqh s GLN 59 Ca 0.01 -0.53 -0.20 0.00 -1.95 0.00 0.00 55.36 52.70 3mqh s GLN 59 Cb -0.16 -1.90 -0.05 0.00 -0.22 0.00 0.00 33.01 30.68 3mqh s GLN 59 CO -0.06 -2.36 1.03 0.09 -0.25 0.00 0.00 175.29 173.74 3mqh n ASN 60 N -3.69 1.12 -1.53 5.90 3.02 -1.26 -3.59 115.26 115.24 3mqh n ASN 60 Ca 0.16 0.86 -0.13 0.00 -0.03 0.00 0.00 54.58 55.43 3mqh n ASN 60 Cb 0.59 -1.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 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 -0.65 -4.14 -4.61 6.41 3.02 -0.45 -0.93 115.26 113.91 3mqh n ASN 61 Ca 0.13 -0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 3mqh n ASN 61 Cb 0.46 -3.32 -0.10 0.00 -0.61 0.00 0.00 39.78 36.21 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 -2.67 4.70 -0.39 2.41 1.01 -1.24 -4.21 120.40 120.01 3mqh s VAL 62 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3mqh s VAL 62 Cb -0.00 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.29 3mqh s VAL 62 CO 0.01 0.46 0.24 -0.44 0.00 0.00 0.00 175.10 175.36 3mqh s SER 63 N 0.44 5.83 -0.80 3.32 0.01 -1.26 -1.96 113.70 119.27 3mqh s SER 63 Ca 0.03 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.09 3mqh s SER 63 Cb -0.13 -2.06 0.13 0.00 0.21 0.00 0.00 66.02 64.18 3mqh s SER 63 CO 0.01 -0.42 0.94 -0.69 0.41 0.00 0.00 173.24 173.49 3mqh s VAL 64 N 1.58 4.87 0.73 3.43 1.01 0.11 -4.26 120.40 127.88 3mqh s VAL 64 Ca 0.03 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 3mqh s VAL 64 Cb -0.19 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.57 3mqh s VAL 64 CO 0.07 -1.33 1.10 -0.31 0.00 0.00 0.00 175.10 174.64 3mqh s TYR 65 N 2.37 3.17 0.18 5.22 2.02 -1.26 -0.92 117.35 128.12 3mqh s TYR 65 Ca 0.24 1.07 -0.31 0.00 -0.37 0.00 0.00 57.07 57.70 3mqh s TYR 65 Cb -0.12 -3.09 -0.16 0.00 -0.40 0.00 0.00 41.96 38.19 3mqh s TYR 65 CO -0.04 -1.37 0.93 -0.25 -1.57 0.00 0.00 175.55 173.26 3mqh n ASP 66 N -3.14 0.39 0.00 2.29 8.00 -1.26 -1.83 116.55 121.00 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 0.57 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 1.78 -2.61 -4.78 -2.24 4.13 0.27 -4.74 115.26 107.08 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 -0.44 -0.07 0.00 -1.54 0.00 0.00 39.78 37.97 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 5.43 -0.10 2.41 1.01 -0.76 -0.99 120.40 125.40 3mqh s VAL 68 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3mqh s VAL 68 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3mqh s VAL 68 CO 0.00 0.50 -0.05 -0.36 0.00 0.00 0.00 175.10 175.18 3mqh s PHE 69 N -0.09 1.23 -0.22 5.22 0.08 -0.26 -3.70 117.98 120.24 3mqh s PHE 69 Ca 0.10 -0.55 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3mqh s PHE 69 Cb -0.11 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.27 3mqh s PHE 69 CO -0.00 -0.44 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.06 3mqh s LEU 70 N 1.73 2.84 1.01 -0.37 1.43 -0.26 -0.99 118.68 124.06 3mqh s LEU 70 Ca 0.04 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 3mqh s LEU 70 Cb -0.13 -1.61 0.19 0.00 0.03 0.00 0.00 46.19 44.67 3mqh s LEU 70 CO -0.07 -0.08 1.15 -1.61 0.23 0.00 0.00 176.35 175.98 3mqh s GLU 71 N 1.32 0.35 0.42 1.70 2.02 -0.37 -0.27 118.70 123.87 3mqh s GLU 71 Ca 0.02 0.12 -0.24 0.00 0.02 0.00 0.00 54.97 54.89 3mqh s GLU 71 Cb -0.15 -1.76 -0.11 0.00 0.10 0.00 0.00 34.13 32.20 3mqh s GLU 71 CO -0.07 -2.70 0.88 -0.25 0.02 0.00 0.00 175.26 173.14 3mqh n ASP 72 N -4.08 0.65 -0.86 -0.19 10.43 -1.26 -2.81 116.55 118.44 3mqh n ASP 72 Ca 0.09 1.00 -0.11 0.00 2.57 0.00 0.00 54.79 58.34 3mqh n ASP 72 Cb 0.59 -1.28 -0.05 0.00 1.84 0.00 0.00 41.12 42.22 3mqh n ASP 72 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3mqh n ASP 73 N 0.72 -4.75 -4.78 -2.24 8.00 -0.33 -1.26 116.55 111.92 3mqh n ASP 73 Ca 0.10 0.28 -0.36 0.00 0.71 0.00 0.00 54.79 55.52 3mqh n ASP 73 Cb 0.39 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.23 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 -2.28 3.55 -0.15 2.53 1.01 -1.12 -3.31 120.40 120.62 3mqh s VAL 74 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3mqh s VAL 74 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3mqh s VAL 74 CO 0.00 -0.04 -0.21 0.12 0.00 0.00 0.00 175.10 174.97 3mqh s PHE 75 N -1.68 2.65 -0.32 5.22 5.36 -0.28 -1.83 117.98 127.11 3mqh s PHE 75 Ca 0.61 -1.43 -0.05 0.00 -0.96 0.00 0.00 56.93 55.10 3mqh s PHE 75 Cb -0.23 -1.82 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 3mqh s PHE 75 CO 0.28 -0.68 0.07 0.00 -1.46 0.00 0.00 175.22 173.43 3mqh s GLY 77 N 1.40 1.58 0.11 0.00 0.00 0.84 -0.98 107.32 110.27 3mqh s GLY 77 Ca -0.01 -0.22 -0.34 0.00 0.00 0.00 0.00 44.72 44.15 3mqh s GLY 77 CO 0.02 0.38 1.63 -1.55 0.00 0.00 0.00 173.10 173.58 3mqh n PRO 78 N -4.28 2.13 -1.91 2.90 -0.04 -1.26 -2.24 135.00 130.29 3mqh n PRO 78 Ca 0.05 0.77 -0.21 0.00 -0.04 0.00 0.00 63.50 64.07 3mqh n PRO 78 Cb 0.56 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.97 -5.67 -4.73 3.54 7.64 -0.10 -1.00 113.62 117.27 3mqh n SER 79 Ca 0.18 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 60.07 3mqh n SER 79 Cb 0.29 -4.88 0.13 0.00 -1.01 0.00 0.00 64.21 58.73 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 -4.26 1.53 -0.06 1.43 0.23 -0.95 -3.84 119.30 113.36 3mqh s MET 80 Ca 0.00 0.94 -0.01 0.00 -1.03 0.00 0.00 55.69 55.59 3mqh s MET 80 Cb 0.00 -1.83 0.03 0.00 -1.53 0.00 0.00 34.83 31.50 3mqh s MET 80 CO 0.00 -2.09 -0.01 0.08 -2.03 0.00 0.00 175.02 170.97 3mqh s VAL 81 N -2.91 0.42 0.31 5.16 1.01 -0.17 -4.42 120.40 119.80 3mqh s VAL 81 Ca 0.63 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3mqh s VAL 81 Cb -0.18 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3mqh s VAL 81 CO 0.57 0.25 0.45 -0.36 0.00 0.00 0.00 175.10 176.01 3mqh s PHE 82 N 1.68 3.31 0.19 5.22 0.08 -1.26 -0.93 117.98 126.27 3mqh s PHE 82 Ca 0.01 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.05 3mqh s PHE 82 Cb -0.13 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3mqh s PHE 82 CO -0.04 0.16 0.02 0.95 -0.10 0.00 0.00 175.22 176.21 3mqh s THR 83 N -2.15 0.69 0.00 0.64 -4.23 -1.22 -4.91 115.64 104.46 3mqh s THR 83 Ca 0.40 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3mqh s THR 83 Cb -0.09 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3mqh s THR 83 CO 0.31 -0.39 0.01 -0.46 -0.54 0.00 0.00 174.62 173.56 3mqh n ASN 84 N -0.29 0.01 -4.31 3.99 0.23 -1.26 -4.42 115.26 109.21 3mqh n ASN 84 Ca -0.05 -0.21 -0.32 0.00 -0.53 0.00 0.00 54.58 53.46 3mqh n ASN 84 Cb 0.64 0.06 -0.15 0.00 -2.08 0.00 0.00 39.78 38.24 3mqh n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mqh s VAL 85 N -0.06 2.60 0.10 3.53 1.01 -1.26 -1.26 120.40 125.06 3mqh s VAL 85 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3mqh s VAL 85 Cb 0.00 -2.05 -0.18 0.00 0.00 0.00 0.00 36.38 34.15 3mqh s VAL 85 CO 0.00 0.54 1.28 0.22 0.00 0.00 0.00 175.10 177.14 3mqh h TYR 86 N 6.59 1.01 -2.09 5.22 5.03 -1.89 -3.39 116.97 127.43 3mqh h TYR 86 Ca -0.25 -0.48 -0.53 0.00 2.58 0.00 0.00 58.73 60.05 3mqh h TYR 86 Cb 1.22 -0.14 -0.41 0.00 1.55 0.00 0.00 36.73 38.95 3mqh h TYR 86 CO 0.48 1.31 -0.99 0.27 -1.32 0.00 0.00 178.16 177.92 3mqh n ASN 87 N -3.89 1.96 -4.77 -2.11 6.94 -1.26 -5.04 115.26 107.09 3mqh n ASN 87 Ca -0.08 -3.18 -0.37 0.00 -0.02 0.00 0.00 54.58 50.92 3mqh n ASN 87 Cb 0.80 -0.61 -0.00 0.00 -2.36 0.00 0.00 39.78 37.60 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 -2.54 3.71 -0.04 -0.53 0.04 -1.26 -5.03 135.00 129.35 3mqh s PRO 88 Ca 0.42 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 3mqh s PRO 88 Cb 0.29 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.45 3mqh s PRO 88 CO -0.10 -0.61 0.07 1.03 0.04 0.00 0.00 177.00 177.44 3mqh s ARG 89 N -2.68 -0.03 0.37 4.56 1.81 -1.26 -5.05 118.95 116.66 3mqh s ARG 89 Ca 0.64 0.33 0.09 0.00 -1.72 0.00 0.00 55.73 55.07 3mqh s ARG 89 Cb -0.30 -0.34 0.82 0.00 -0.45 0.00 0.00 34.95 34.67 3mqh s ARG 89 CO 0.37 -0.25 1.91 0.00 -0.68 0.00 0.00 175.30 176.65 3mqh h ALA 90 N 7.86 1.82 0.00 2.13 0.00 -2.03 -1.37 119.26 127.68 3mqh h ALA 90 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mqh h ALA 90 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3mqh h ALA 90 CO 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3mqh n ALA 91 N -2.45 2.41 -3.86 0.00 0.00 -1.26 -4.45 120.51 110.90 3mqh n ALA 91 Ca 0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3mqh n ALA 91 Cb 0.39 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3mqh n ALA 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mqh s ILE 92 N -2.57 1.69 0.20 0.00 1.01 -0.51 -5.10 121.20 115.92 3mqh s ILE 92 Ca 0.27 -2.19 -0.32 0.00 0.00 0.00 0.00 60.65 58.42 3mqh s ILE 92 Cb 0.19 -2.24 -0.11 0.00 0.01 0.00 0.00 42.46 40.31 3mqh s ILE 92 CO 0.43 -0.70 1.66 -0.70 0.00 0.00 0.00 174.94 175.63 3mqh s GLU 93 N 0.90 4.15 -0.16 2.79 -6.30 -1.26 -4.49 118.70 114.33 3mqh s GLU 93 Ca 0.12 2.52 0.14 0.00 -2.50 0.00 0.00 54.97 55.26 3mqh s GLU 93 Cb -0.20 -3.10 0.40 0.00 0.00 0.00 0.00 34.13 31.23 3mqh s GLU 93 CO -0.11 -0.69 1.20 0.54 0.02 0.00 0.00 175.26 176.21 3mqh n ARG 94 N 3.82 1.26 0.29 4.30 1.74 -1.26 -4.77 116.66 122.04 3mqh n ARG 94 Ca 0.15 -2.97 0.17 0.00 -0.77 0.00 0.00 57.85 54.42 3mqh n ARG 94 Cb 0.36 -1.31 0.89 0.00 -1.02 0.00 0.00 32.46 31.39 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 0.89 0.00 -0.14 5.56 1.57 -2.00 -0.32 116.57 122.13 3mqh h LYS 95 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3mqh h LYS 95 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3mqh h LYS 95 CO 0.02 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 3mqh n SER 96 N -3.34 1.74 -0.12 0.86 3.41 -1.26 -4.09 113.62 110.81 3mqh n SER 96 Ca -0.02 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 56.99 3mqh n SER 96 Cb 0.19 -0.09 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.36 1.81 -1.72 4.33 1.02 -0.13 -5.06 120.64 121.25 3mqh n GLU 97 Ca 0.17 -2.35 -0.40 0.00 -0.02 0.00 0.00 57.16 54.56 3mqh n GLU 97 Cb 0.35 -1.41 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.13 2.27 -4.52 -0.32 4.01 -1.22 -4.78 117.16 111.48 3mqh n TYR 98 Ca 0.13 0.47 -0.31 0.00 -0.16 0.00 0.00 57.90 58.03 3mqh n TYR 98 Cb 0.57 -2.39 -0.11 0.00 -0.31 0.00 0.00 39.34 37.09 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 -2.39 2.27 0.40 -0.72 0.52 -0.39 -5.03 118.95 113.60 3mqh s ARG 99 Ca 0.63 -0.89 -0.23 0.00 -0.52 0.00 0.00 55.73 54.72 3mqh s ARG 99 Cb -0.47 -2.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 3mqh s ARG 99 CO 0.56 0.56 1.00 -0.51 0.02 0.00 0.00 175.30 176.93 3mqh s ASP 100 N -1.55 6.88 -0.23 0.23 1.01 -1.26 -4.28 116.67 117.47 3mqh s ASP 100 Ca 0.17 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.34 3mqh s ASP 100 Cb -0.11 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.30 3mqh s ASP 100 CO 0.07 -0.40 -0.11 -0.89 0.21 0.00 0.00 175.17 174.06 3mqh s THR 101 N -1.81 1.94 -0.18 -1.27 2.01 -0.16 -0.84 115.64 115.34 3mqh s THR 101 Ca 0.58 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3mqh s THR 101 Cb -0.17 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3mqh s THR 101 CO 0.22 0.06 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.52 3mqh s ILE 102 N 1.23 3.47 -0.23 1.82 1.01 -1.21 -1.10 121.20 126.19 3mqh s ILE 102 Ca -0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 3mqh s ILE 102 Cb -0.18 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.78 3mqh s ILE 102 CO -0.07 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.55 3mqh s VAL 103 N 0.84 2.61 0.71 2.92 1.01 -0.16 -1.18 120.40 127.15 3mqh s VAL 103 Ca -0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 3mqh s VAL 103 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.02 3mqh s VAL 103 CO 0.01 0.28 1.02 -0.13 0.00 0.00 0.00 175.10 176.28 3mqh s ARG 104 N 1.30 2.11 0.14 2.72 1.81 0.10 -1.23 118.95 125.90 3mqh s ARG 104 Ca 0.01 -0.31 -0.35 0.00 -1.72 0.00 0.00 55.73 53.36 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 -0.07 -1.29 1.28 0.94 -0.68 0.00 0.00 175.30 175.49 3mqh n GLN 105 N -2.94 1.27 -0.46 3.54 7.27 -1.26 -2.12 117.38 122.67 3mqh n GLN 105 Ca 0.09 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3mqh n GLN 105 Cb 0.60 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.21 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 2.34 2.00 3.75 1.69 0.00 -0.38 -1.22 105.19 113.36 3mqh n GLY 106 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.40 2.59 -0.13 4.61 0.00 -0.90 -4.01 121.76 120.52 3mqh s ALA 107 Ca 0.00 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3mqh s ALA 107 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3mqh s ALA 107 CO 0.00 -1.30 -0.19 0.99 0.00 0.00 0.00 175.76 175.26 3mqh s THR 108 N -1.47 2.45 -0.34 0.00 2.01 -0.20 -1.13 115.64 116.97 3mqh s THR 108 Ca 0.77 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 3mqh s THR 108 Cb -0.35 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.22 3mqh s THR 108 CO 0.38 0.54 0.09 -0.76 -0.69 0.00 0.00 174.62 174.18 3mqh s LEU 109 N 0.55 4.30 0.92 4.42 1.43 0.23 -0.78 118.68 129.75 3mqh s LEU 109 Ca -0.11 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.64 3mqh s LEU 109 Cb -0.16 -1.83 0.14 0.00 0.03 0.00 0.00 46.19 44.37 3mqh s LEU 109 CO 0.04 -0.33 1.10 -0.83 0.23 0.00 0.00 176.35 176.56 3mqh s GLY 110 N 1.43 1.65 0.03 -3.19 0.00 0.83 -0.11 107.32 107.95 3mqh s GLY 110 Ca -0.02 0.28 -0.38 0.00 0.00 0.00 0.00 44.72 44.60 3mqh s GLY 110 CO 0.01 0.74 1.27 0.00 0.00 0.00 0.00 173.10 175.12 3mqh n ALA 111 N -4.11 -1.87 -1.60 3.20 0.00 -1.26 -1.98 120.51 112.89 3mqh n ALA 111 Ca 0.09 0.54 -0.20 0.00 0.00 0.00 0.00 53.44 53.87 3mqh n ALA 111 Cb 0.53 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 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 2.32 -5.47 -4.79 0.00 5.15 -0.17 -0.52 115.26 111.78 3mqh n ASN 112 Ca 0.20 0.50 -0.29 0.00 -0.60 0.00 0.00 54.58 54.39 3mqh n ASN 112 Cb 0.14 -4.76 0.12 0.00 -0.53 0.00 0.00 39.78 34.76 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 -3.38 0.18 -0.25 0.00 2.01 -0.31 -1.00 115.64 112.90 3mqh s THR 114 Ca 0.64 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 3mqh s THR 114 Cb -0.13 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.24 3mqh s THR 114 CO 0.52 0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 3mqh s VAL 115 N 0.06 2.68 -0.06 3.82 1.01 -0.11 -0.64 120.40 127.18 3mqh s VAL 115 Ca -0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3mqh s VAL 115 Cb -0.02 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3mqh s VAL 115 CO -0.00 0.17 1.39 -0.69 0.00 0.00 0.00 175.10 175.97 3mqh s VAL 116 N 1.28 3.89 0.40 2.92 1.01 0.15 -3.45 120.40 126.60 3mqh s VAL 116 Ca -0.01 1.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 3mqh s VAL 116 Cb -0.17 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 3mqh s VAL 116 CO -0.05 -0.04 0.81 0.00 0.00 0.00 0.00 175.10 175.82 3mqh n GLY 118 N 1.45 2.86 3.79 0.00 0.00 -0.02 -4.87 105.19 108.40 3mqh n GLY 118 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 3.07 -0.11 4.61 0.00 -1.16 -4.90 121.76 120.61 3mqh s ALA 119 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3mqh s ALA 119 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3mqh s ALA 119 CO 0.00 -0.08 -0.02 0.99 0.00 0.00 0.00 175.76 176.65 3mqh s THR 120 N -1.81 4.08 -0.22 0.00 2.01 -1.26 -3.36 115.64 115.08 3mqh s THR 120 Ca 0.59 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 3mqh s THR 120 Cb -0.18 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 3mqh s THR 120 CO 0.23 0.56 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.07 3mqh s ILE 121 N -0.42 3.57 0.96 1.82 1.01 -0.33 -1.00 121.20 126.81 3mqh s ILE 121 Ca 0.07 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 3mqh s ILE 121 Cb -0.12 -2.63 0.17 0.00 0.01 0.00 0.00 42.46 39.89 3mqh s ILE 121 CO 0.02 0.41 1.10 -0.83 0.00 0.00 0.00 174.94 175.64 3mqh s GLY 122 N 1.44 1.58 0.19 6.18 0.00 0.60 -0.72 107.32 116.59 3mqh s GLY 122 Ca 0.05 -0.35 -0.33 0.00 0.00 0.00 0.00 44.72 44.09 3mqh s GLY 122 CO -0.02 0.23 1.67 0.54 0.00 0.00 0.00 173.10 175.52 3mqh n ARG 123 N -4.04 2.55 -1.41 2.90 1.74 -1.26 -1.73 116.66 115.40 3mqh n ARG 123 Ca 0.06 0.92 -0.14 0.00 -0.77 0.00 0.00 57.85 57.91 3mqh n ARG 123 Cb 0.57 -2.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.22 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 3.73 0.00 -0.61 -1.55 4.01 -0.36 -0.66 117.16 121.73 3mqh n TYR 124 Ca 0.16 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.60 3mqh n TYR 124 Cb 0.33 -2.92 0.20 0.00 -0.31 0.00 0.00 39.34 36.63 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 1.26 -2.04 -3.64 -0.72 0.00 -0.71 -3.80 120.51 110.86 3mqh n ALA 125 Ca -0.14 -0.86 -0.25 0.00 0.00 0.00 0.00 53.44 52.19 3mqh n ALA 125 Cb 0.60 -2.03 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.50 0.29 -0.36 0.00 5.36 0.27 -1.03 117.98 120.01 3mqh s PHE 126 Ca 0.66 -0.27 -0.14 0.00 -0.96 0.00 0.00 56.93 56.21 3mqh s PHE 126 Cb -0.23 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.74 3mqh s PHE 126 CO 0.62 -0.46 0.29 0.08 -1.46 0.00 0.00 175.22 174.29 3mqh s VAL 127 N 2.10 5.24 0.82 3.12 1.01 0.04 -1.50 120.40 131.23 3mqh s VAL 127 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 3mqh s VAL 127 Cb -0.15 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.50 3mqh s VAL 127 CO -0.08 -0.11 1.02 0.61 0.00 0.00 0.00 175.10 176.55 3mqh n GLY 128 N 5.08 -0.46 3.60 4.51 0.00 0.02 -0.12 105.19 117.82 3mqh n GLY 128 Ca -0.11 -0.52 -0.48 0.00 0.00 0.00 0.00 46.02 44.91 3mqh n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqh n ALA 129 N -3.27 -0.33 -0.85 4.61 0.00 -1.26 -2.04 120.51 117.38 3mqh n ALA 129 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3mqh n ALA 129 Cb 0.51 -2.09 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 2.06 0.40 3.75 0.00 0.00 0.32 -4.82 105.19 106.90 3mqh n GLY 130 Ca 0.14 0.00 -0.31 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 -2.11 2.02 -0.28 4.61 0.00 -0.86 -4.72 121.76 120.41 3mqh s ALA 131 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.24 3mqh s ALA 131 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3mqh s ALA 131 CO 0.00 -2.01 -0.06 0.08 0.00 0.00 0.00 175.76 173.77 3mqh s VAL 132 N -2.87 2.10 -0.23 0.00 1.01 -0.46 -1.16 120.40 118.78 3mqh s VAL 132 Ca 0.62 -1.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 3mqh s VAL 132 Cb -0.18 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3mqh s VAL 132 CO 0.57 -0.18 0.70 -0.69 0.00 0.00 0.00 175.10 175.50 3mqh s VAL 133 N 1.10 4.94 -0.06 2.92 1.01 0.19 -0.39 120.40 130.11 3mqh s VAL 133 Ca -0.04 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.35 3mqh s VAL 133 Cb -0.20 -4.01 0.16 0.00 0.00 0.00 0.00 36.38 32.34 3mqh s VAL 133 CO -0.06 0.02 1.08 -0.46 0.00 0.00 0.00 175.10 175.68 3mqh n ASN 134 N 5.58 1.05 -3.88 3.32 6.94 -1.26 -0.67 115.26 126.33 3mqh n ASN 134 Ca 0.01 -2.51 -0.09 0.00 -0.02 0.00 0.00 54.58 51.97 3mqh n ASN 134 Cb 0.49 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.54 3mqh n ASN 134 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mqh s LYS 135 N -1.26 1.33 0.51 -3.83 -2.85 -1.26 -4.98 119.74 107.40 3mqh s LYS 135 Ca 0.16 -1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 53.84 3mqh s LYS 135 Cb 0.15 0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 36.31 3mqh s LYS 135 CO -0.00 -0.53 1.23 -0.25 0.10 0.00 0.00 175.35 175.89 3mqh n ASP 136 N -0.30 2.16 -4.25 0.03 8.00 -1.26 -4.75 116.55 116.18 3mqh n ASP 136 Ca -0.07 0.98 -0.35 0.00 0.71 0.00 0.00 54.79 56.07 3mqh n ASP 136 Cb 0.62 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.31 3.04 0.81 2.53 1.01 -0.17 -4.97 120.40 121.35 3mqh s VAL 137 Ca 0.69 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3mqh s VAL 137 Cb -0.45 -2.42 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3mqh s VAL 137 CO 0.52 0.38 1.13 -2.84 0.00 0.00 0.00 175.10 174.29 3mqh s PRO 138 N 1.41 1.79 0.17 2.72 0.02 -1.26 -0.29 135.00 139.56 3mqh s PRO 138 Ca 0.04 1.43 -0.33 0.00 0.02 0.00 0.00 61.00 62.16 3mqh s PRO 138 Cb -0.15 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.40 3mqh s PRO 138 CO -0.05 -2.04 1.28 -0.25 -0.33 0.00 0.00 177.00 175.61 3mqh n ASP 139 N -3.59 1.85 0.00 2.53 8.00 -1.26 -1.51 116.55 122.56 3mqh n ASP 139 Ca 0.11 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.74 3mqh n ASP 139 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.93 0.00 -2.43 1.24 3.01 0.17 -4.57 117.46 116.80 3mqh n PHE 140 Ca 0.15 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.20 3mqh n PHE 140 Cb 0.25 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.36 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 -3.14 3.41 -0.34 4.37 0.00 -0.57 -0.11 121.76 125.38 3mqh s ALA 141 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3mqh s ALA 141 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3mqh s ALA 141 CO 0.00 -0.25 0.28 -1.17 0.00 0.00 0.00 175.76 174.63 3mqh s LEU 142 N -1.00 4.51 -0.03 0.00 2.96 -0.32 -0.57 118.68 124.24 3mqh s LEU 142 Ca 0.48 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 3mqh s LEU 142 Cb -0.32 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3mqh s LEU 142 CO 0.40 -0.28 -0.24 0.68 -1.32 0.00 0.00 176.35 175.59 3mqh s VAL 143 N 1.82 1.91 0.05 1.68 -7.23 -0.56 -0.84 120.40 117.22 3mqh s VAL 143 Ca 0.08 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3mqh s VAL 143 Cb -0.17 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3mqh s VAL 143 CO 0.11 0.54 0.03 0.68 -0.31 0.00 0.00 175.10 176.15 3mqh s VAL 144 N -0.44 0.17 0.00 1.32 -7.23 -0.45 -0.80 120.40 112.97 3mqh s VAL 144 Ca 0.06 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3mqh s VAL 144 Cb -0.10 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3mqh s VAL 144 CO 0.00 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 3mqh n GLY 145 N 0.52 1.67 2.94 2.32 0.00 -1.26 -0.93 105.19 110.44 3mqh n GLY 145 Ca -0.17 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.87 1.86 0.79 1.61 1.01 -1.26 -1.36 120.40 121.18 3mqh s VAL 146 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 59.82 3mqh s VAL 146 Cb 0.00 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 34.08 3mqh s VAL 146 CO 0.00 -0.60 1.15 -2.16 0.00 0.00 0.00 175.10 173.50 3mqh s PRO 147 N 1.12 2.11 0.19 2.72 0.04 -1.26 -5.01 135.00 134.91 3mqh s PRO 147 Ca 0.10 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3mqh s PRO 147 Cb -0.19 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3mqh s PRO 147 CO -0.13 -1.51 1.12 0.00 0.04 0.00 0.00 177.00 176.52 3mqh s ALA 148 N -3.49 3.39 0.07 8.56 0.00 0.48 -4.84 121.76 125.93 3mqh s ALA 148 Ca 0.61 0.86 0.08 0.00 0.00 0.00 0.00 51.96 53.51 3mqh s ALA 148 Cb -0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3mqh s ALA 148 CO 0.50 -0.24 -0.21 1.03 0.00 0.00 0.00 175.76 176.83 3mqh s ARG 149 N -0.47 1.32 0.02 0.00 1.81 -0.10 -4.86 118.95 116.67 3mqh s ARG 149 Ca 0.50 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.16 3mqh s ARG 149 Cb -0.30 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 3mqh s ARG 149 CO 0.36 0.37 1.07 -1.14 -0.68 0.00 0.00 175.30 175.28 3mqh s GLN 150 N -1.47 4.50 0.00 3.54 0.74 -1.26 -1.34 119.66 124.37 3mqh s GLN 150 Ca 0.08 1.55 0.02 0.00 0.05 0.00 0.00 55.36 57.06 3mqh s GLN 150 Cb -0.09 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 3mqh s GLN 150 CO 0.03 -0.15 0.22 0.44 -0.55 0.00 0.00 175.29 175.27 3mqh n ILE 151 N 3.96 0.00 -3.59 -2.34 -5.35 -0.02 -4.99 119.36 107.04 3mqh n ILE 151 Ca 0.07 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3mqh n ILE 151 Cb 0.49 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.77 0.68 3.06 3.28 0.00 -1.18 -5.01 105.19 106.78 3mqh n GLY 152 Ca 0.01 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.54 1.12 -0.14 1.61 0.52 -1.26 -1.17 118.94 117.08 3mqh s TRP 153 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 3mqh s TRP 153 Cb 0.00 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 3mqh s TRP 153 CO 0.00 -0.07 -0.10 1.41 0.02 0.00 0.00 176.95 178.21 3mqh s MET 154 N -0.08 3.47 0.99 4.98 1.75 0.84 -0.75 119.30 130.51 3mqh s MET 154 Ca 0.01 -0.63 -0.12 0.00 -1.25 0.00 0.00 55.69 53.70 3mqh s MET 154 Cb -0.07 -2.73 0.18 0.00 2.84 0.00 0.00 34.83 35.06 3mqh s MET 154 CO 0.00 0.21 1.08 -1.54 -0.65 0.00 0.00 175.02 174.13 3mqh s SER 155 N 0.38 2.58 0.25 1.11 1.04 -0.36 -4.69 113.70 114.01 3mqh s SER 155 Ca -0.08 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 57.88 3mqh s SER 155 Cb -0.15 -2.22 0.49 0.00 0.10 0.00 0.00 66.02 64.23 3mqh s SER 155 CO 0.05 -3.21 1.76 0.03 0.98 0.00 0.00 173.24 172.85 3mqh h ARG 156 N -1.94 0.59 -0.27 4.02 3.08 -1.90 -0.49 114.38 117.46 3mqh h ARG 156 Ca -0.53 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.55 3mqh h ARG 156 Cb 1.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3mqh h ARG 156 CO 0.52 0.39 0.19 1.25 -1.07 0.00 0.00 179.97 181.25 3mqh h HIS 157 N 0.60 0.08 0.00 3.04 2.76 -2.00 -3.46 115.15 116.18 3mqh h HIS 157 Ca 0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.61 3mqh h HIS 157 Cb 0.59 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.53 3mqh h HIS 157 CO -0.10 0.04 0.00 0.41 -1.30 0.00 0.00 177.93 176.98 3mqh n GLY 158 N -1.57 1.25 3.12 5.26 0.00 -0.19 -5.13 105.19 107.93 3mqh n GLY 158 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3mqh n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqh s GLU 159 N -0.25 0.69 0.44 1.61 2.12 -1.26 -4.90 118.70 117.15 3mqh s GLU 159 Ca 0.00 -0.90 -0.25 0.00 0.36 0.00 0.00 54.97 54.18 3mqh s GLU 159 Cb 0.00 -0.52 -0.08 0.00 0.26 0.00 0.00 34.13 33.78 3mqh s GLU 159 CO 0.00 0.10 1.39 -0.65 -0.54 0.00 0.00 175.26 175.56 3mqh s GLN 160 N -1.86 3.77 0.09 4.30 -0.21 -1.26 -1.23 119.66 123.26 3mqh s GLN 160 Ca -0.04 2.34 -0.07 0.00 0.02 0.00 0.00 55.36 57.61 3mqh s GLN 160 Cb -0.09 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 3mqh s GLN 160 CO 0.01 -0.72 0.36 -0.51 -2.12 0.00 0.00 175.29 172.30 3mqh s LEU 161 N -2.64 4.31 -1.36 2.90 1.43 0.07 -4.83 118.68 118.56 3mqh s LEU 161 Ca 0.60 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 3mqh s LEU 161 Cb -0.42 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 42.80 3mqh s LEU 161 CO 0.54 0.13 1.94 -0.67 0.23 0.00 0.00 176.35 178.52 3mqh n ASP 162 N 0.55 4.51 -3.98 2.29 2.03 -1.26 -4.62 116.55 116.06 3mqh n ASP 162 Ca -0.06 -2.90 -0.18 0.00 0.52 0.00 0.00 54.79 52.17 3mqh n ASP 162 Cb 0.52 -1.69 -0.15 0.00 -0.72 0.00 0.00 41.12 39.08 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 3.05 1.89 0.85 -2.67 1.43 -1.26 -4.68 118.68 117.29 3mqh s LEU 163 Ca 0.50 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3mqh s LEU 163 Cb 0.08 -0.41 0.10 0.00 0.03 0.00 0.00 46.19 45.99 3mqh s LEU 163 CO 0.00 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 3mqh s PRO 164 N 0.02 1.60 0.22 1.29 0.04 -1.26 -4.78 135.00 132.14 3mqh s PRO 164 Ca 0.00 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 3mqh s PRO 164 Cb -0.05 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.85 3mqh s PRO 164 CO -0.00 -1.98 1.60 -0.07 0.04 0.00 0.00 177.00 176.59 3mqh h LEU 165 N -1.35 0.63 -9.26 -3.56 3.38 -1.96 -3.46 115.31 99.73 3mqh h LEU 165 Ca -0.48 -0.27 -0.52 0.00 0.09 0.00 0.00 57.88 56.69 3mqh h LEU 165 Cb 1.28 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 3mqh h LEU 165 CO 0.57 0.94 -0.65 -0.13 0.09 0.00 0.00 178.44 179.25 3mqh s ARG 166 N -4.33 1.66 1.15 1.13 1.81 -1.26 -4.56 118.95 114.55 3mqh s ARG 166 Ca -0.08 -1.87 0.00 0.00 -1.72 0.00 0.00 55.73 52.06 3mqh s ARG 166 Cb 0.12 -1.24 0.00 0.00 -0.45 0.00 0.00 34.95 33.38 3mqh s ARG 166 CO 0.83 0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.86 3mqh n GLY 167 N -0.68 -1.06 3.49 -3.53 0.00 -1.26 -4.72 105.19 97.43 3mqh n GLY 167 Ca -0.05 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 4.08 0.06 1.61 0.01 -1.26 -1.13 114.94 114.32 3mqh s ASN 168 Ca 0.00 -0.23 -0.28 0.00 -0.71 0.00 0.00 52.86 51.64 3mqh s ASN 168 Cb 0.00 -0.84 0.09 0.00 0.41 0.00 0.00 41.25 40.91 3mqh s ASN 168 CO 0.00 0.32 1.14 0.00 -1.51 0.00 0.00 177.10 177.05 3mqh s ALA 169 N -0.82 -1.97 0.05 0.60 0.00 -0.79 -4.98 121.76 113.85 3mqh s ALA 169 Ca 0.13 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3mqh s ALA 169 Cb -0.11 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3mqh s ALA 169 CO 0.03 -1.05 -0.06 -1.21 0.00 0.00 0.00 175.76 173.46 3mqh s GLU 170 N -2.77 0.54 0.14 0.00 2.02 -1.26 -0.52 118.70 116.84 3mqh s GLU 170 Ca 0.14 -0.87 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 3mqh s GLU 170 Cb 0.02 -0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.13 3mqh s GLU 170 CO -0.01 -0.00 0.32 0.00 0.02 0.00 0.00 175.26 175.59 3mqh s ALA 171 N -2.04 -0.43 -0.05 5.21 0.00 -0.70 -4.87 121.76 118.88 3mqh s ALA 171 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3mqh s ALA 171 Cb -0.06 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.78 3mqh s ALA 171 CO -0.02 -0.63 -0.14 0.99 0.00 0.00 0.00 175.76 175.96 3mqh s THR 172 N -3.88 1.22 0.05 0.00 2.01 -1.26 -0.17 115.64 113.60 3mqh s THR 172 Ca 0.09 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 3mqh s THR 172 Cb 0.03 -1.08 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 3mqh s THR 172 CO -0.07 0.37 1.50 0.00 -0.69 0.00 0.00 174.62 175.73 3mqh n PRO 174 N 5.16 0.24 0.10 0.00 -0.04 -1.26 -0.22 135.00 138.97 3mqh n PRO 174 Ca 0.14 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.72 3mqh n PRO 174 Cb 0.42 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 3mqh n PRO 174 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mqh h HIS 175 N 0.00 0.47 0.00 0.54 3.86 -1.98 -3.39 115.15 114.65 3mqh h HIS 175 Ca 0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3mqh h HIS 175 Cb 0.64 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3mqh h HIS 175 CO 0.00 1.24 -0.79 0.25 0.86 0.00 0.00 177.93 179.49 3mqh n THR 176 N -3.55 0.00 -0.97 2.45 -2.24 -1.22 -5.01 114.28 103.74 3mqh n THR 176 Ca -0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3mqh n THR 176 Cb 0.99 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 2.13 0.31 3.72 3.38 0.00 0.69 -5.00 105.19 110.42 3mqh n GLY 177 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3mqh n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mqh n GLU 178 N -1.29 2.48 -3.87 1.61 1.02 -1.25 -4.66 120.64 114.68 3mqh n GLU 178 Ca 0.00 0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 57.66 3mqh n GLU 178 Cb 0.20 -2.62 -0.06 0.00 -0.02 0.00 0.00 31.44 28.94 3mqh n GLU 178 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mqh s ARG 179 N -0.61 3.45 0.04 3.49 0.52 -1.26 -0.73 118.95 123.85 3mqh s ARG 179 Ca 0.64 -0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.79 3mqh s ARG 179 Cb -0.54 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3mqh s ARG 179 CO 0.50 0.75 -0.26 0.71 0.02 0.00 0.00 175.30 177.02 3mqh s TYR 180 N -1.10 2.30 -0.08 -0.53 1.51 0.76 -0.21 117.35 119.99 3mqh s TYR 180 Ca 0.18 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3mqh s TYR 180 Cb -0.12 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 3mqh s TYR 180 CO 0.08 0.12 -0.19 0.42 -1.11 0.00 0.00 175.55 174.87 3mqh s ILE 181 N -0.80 1.64 -0.19 2.71 1.01 0.20 -1.73 121.20 124.04 3mqh s ILE 181 Ca 0.11 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3mqh s ILE 181 Cb -0.10 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3mqh s ILE 181 CO 0.02 0.47 0.08 -0.22 0.00 0.00 0.00 174.94 175.29 3mqh s LEU 182 N 0.42 3.87 -0.22 2.97 2.96 0.32 -1.23 118.68 127.76 3mqh s LEU 182 Ca -0.15 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3mqh s LEU 182 Cb -0.16 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.60 3mqh s LEU 182 CO 0.06 0.15 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.34 3mqh s THR 183 N 0.50 1.15 -1.42 3.68 2.01 0.14 -1.89 115.64 119.81 3mqh s THR 183 Ca 0.04 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 3mqh s THR 183 Cb -0.12 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 3mqh s THR 183 CO 0.01 -0.17 0.30 0.47 -0.69 0.00 0.00 174.62 174.54 3mqh n ASP 184 N 4.81 -0.82 -0.15 3.53 10.43 -0.39 -1.45 116.55 132.51 3mqh n ASP 184 Ca -0.10 -1.19 -0.02 0.00 2.57 0.00 0.00 54.79 56.05 3mqh n ASP 184 Cb 0.45 -2.13 -0.01 0.00 1.84 0.00 0.00 41.12 41.27 3mqh n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mqh n GLY 185 N -2.27 0.53 3.24 0.44 0.00 -0.28 -4.67 105.19 102.18 3mqh n GLY 185 Ca -0.27 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.92 2.52 -0.15 1.61 1.01 -0.53 -4.91 120.40 118.04 3mqh s VAL 186 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3mqh s VAL 186 Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3mqh s VAL 186 CO 0.00 0.52 0.18 0.00 0.00 0.00 0.00 175.10 175.80 3mqh s ARG 188 N -0.26 0.73 0.28 0.00 1.70 -0.36 -4.80 118.95 116.24 3mqh s ARG 188 Ca 0.13 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 3mqh s ARG 188 Cb -0.12 -0.19 -0.10 0.00 -0.57 0.00 0.00 34.95 33.98 3mqh s ARG 188 CO 0.02 -0.01 1.14 -1.17 -1.08 0.00 0.00 175.30 174.20 3mqh s LEU 189 N -2.66 4.52 0.00 -1.89 2.96 -1.26 -0.63 118.68 119.72 3mqh s LEU 189 Ca 0.06 2.34 0.17 0.00 -0.22 0.00 0.00 54.13 56.47 3mqh s LEU 189 Cb 0.02 -3.63 0.99 0.00 0.50 0.00 0.00 46.19 44.06 3mqh s LEU 189 CO -0.04 -0.23 1.39 0.00 -1.32 0.00 0.00 176.35 176.16