#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqg s THR 3 N 0.00 5.09 -0.20 0.00 2.01 0.02 -4.97 115.64 117.59 3mqg s THR 3 Ca 0.00 0.93 0.01 0.00 0.31 0.00 0.00 61.69 62.94 3mqg s THR 3 Cb 0.00 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.72 3mqg s THR 3 CO 0.00 0.14 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.37 3mqg s ILE 4 N 1.87 1.49 0.29 1.82 1.01 -1.26 -0.57 121.20 125.85 3mqg s ILE 4 Ca 0.23 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3mqg s ILE 4 Cb -0.15 -1.65 -0.13 0.00 0.01 0.00 0.00 42.46 40.54 3mqg s ILE 4 CO 0.09 0.08 1.24 1.57 0.00 0.00 0.00 174.94 177.92 3mqg n HIS 5 N 4.72 1.93 0.24 3.97 -0.00 0.08 -4.85 115.22 121.31 3mqg n HIS 5 Ca -0.13 0.57 0.16 0.00 -0.00 0.00 0.00 57.72 58.31 3mqg n HIS 5 Cb 0.46 -2.38 0.84 0.00 -0.00 0.00 0.00 29.99 28.92 3mqg n HIS 5 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mqg h PRO 6 N 2.88 0.00 0.00 1.57 0.11 -1.93 -0.60 132.00 134.02 3mqg h PRO 6 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mqg h PRO 6 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3mqg h PRO 6 CO 0.66 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 178.61 3mqg n THR 7 N -3.89 0.26 -1.73 -1.15 -2.24 -1.26 -4.85 114.28 99.41 3mqg n THR 7 Ca -0.00 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 3mqg n THR 7 Cb 0.22 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.06 3mqg n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqg s ALA 8 N -3.05 2.44 -0.25 6.98 0.00 -0.24 -3.88 121.76 123.76 3mqg s ALA 8 Ca 0.12 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3mqg s ALA 8 Cb 0.16 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3mqg s ALA 8 CO 0.58 -1.32 -0.02 0.42 0.00 0.00 0.00 175.76 175.41 3mqg s ILE 9 N -2.30 1.45 -0.36 0.00 1.01 0.51 -4.93 121.20 116.58 3mqg s ILE 9 Ca 0.68 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3mqg s ILE 9 Cb -0.21 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.52 3mqg s ILE 9 CO 0.42 -0.21 0.13 -0.69 0.00 0.00 0.00 174.94 174.59 3mqg s VAL 10 N 1.41 3.63 0.54 2.92 1.01 -1.26 -1.51 120.40 127.13 3mqg s VAL 10 Ca -0.03 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 3mqg s VAL 10 Cb -0.19 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3mqg s VAL 10 CO -0.08 -0.31 1.12 -1.81 0.00 0.00 0.00 175.10 174.01 3mqg s ASP 11 N 1.58 5.77 0.21 3.32 1.01 -0.20 -4.91 116.67 123.44 3mqg s ASP 11 Ca 0.00 2.14 -0.32 0.00 0.71 0.00 0.00 52.55 55.08 3mqg s ASP 11 Cb -0.21 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.01 3mqg s ASP 11 CO 0.01 -1.18 1.40 1.21 0.21 0.00 0.00 175.17 176.81 3mqg n GLU 12 N -1.31 1.87 0.00 8.23 4.07 -1.26 -2.02 120.64 130.22 3mqg n GLU 12 Ca 0.11 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 3mqg n GLU 12 Cb 0.51 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 3mqg n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mqg n GLY 13 N 2.39 1.66 3.76 8.31 0.00 -1.26 -4.47 105.19 115.58 3mqg n GLY 13 Ca 0.13 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3mqg n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 14 N -1.38 3.59 -0.21 4.61 0.00 -0.78 -4.73 121.76 122.85 3mqg s ALA 14 Ca 0.00 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.33 3mqg s ALA 14 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3mqg s ALA 14 CO 0.00 -0.86 0.03 1.03 0.00 0.00 0.00 175.76 175.96 3mqg s ARG 15 N -1.41 3.69 -0.08 0.00 0.52 -0.45 -5.01 118.95 116.20 3mqg s ARG 15 Ca 0.54 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 3mqg s ARG 15 Cb -0.44 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 31.88 3mqg s ARG 15 CO 0.54 -0.00 -0.07 0.42 0.02 0.00 0.00 175.30 176.20 3mqg s ILE 16 N 1.07 0.87 0.75 1.52 1.01 -1.26 -0.76 121.20 124.40 3mqg s ILE 16 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3mqg s ILE 16 Cb -0.14 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.50 3mqg s ILE 16 CO 0.02 0.32 1.08 -0.83 0.00 0.00 0.00 174.94 175.53 3mqg s GLY 17 N 1.23 1.70 0.38 6.18 0.00 0.02 -4.54 107.32 112.29 3mqg s GLY 17 Ca -0.05 0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.66 3mqg s GLY 17 CO -0.02 0.58 0.79 0.00 0.00 0.00 0.00 173.10 174.45 3mqg n ALA 18 N -3.37 -0.79 -0.89 3.20 0.00 -1.26 -2.65 120.51 114.76 3mqg n ALA 18 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3mqg n ALA 18 Cb 0.53 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3mqg n ALA 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mqg n HIS 19 N -0.44 0.00 -2.11 0.00 8.25 -1.26 -1.31 115.22 118.34 3mqg n HIS 19 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 3mqg n HIS 19 Cb 0.37 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 30.86 3mqg n HIS 19 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mqg s SER 20 N -2.39 6.04 -0.10 0.41 0.01 -1.08 -3.89 113.70 112.70 3mqg s SER 20 Ca 0.00 1.70 0.01 0.00 1.31 0.00 0.00 55.95 58.97 3mqg s SER 20 Cb 0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.73 3mqg s SER 20 CO 0.00 -0.99 -0.11 -0.13 0.41 0.00 0.00 173.24 172.41 3mqg s ARG 21 N -4.21 1.79 -0.24 12.44 0.52 0.03 -0.80 118.95 128.47 3mqg s ARG 21 Ca 0.61 -0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 55.38 3mqg s ARG 21 Cb -0.14 -1.61 -0.00 0.00 0.52 0.00 0.00 34.95 33.72 3mqg s ARG 21 CO 0.38 -0.10 -0.03 0.42 0.02 0.00 0.00 175.30 175.98 3mqg s ILE 22 N 1.12 3.38 0.00 1.52 -1.09 0.27 -0.88 121.20 125.53 3mqg s ILE 22 Ca -0.05 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3mqg s ILE 22 Cb -0.14 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 3mqg s ILE 22 CO -0.02 0.34 0.00 0.79 -1.23 0.00 0.00 174.94 174.82 3mqg n TRP 23 N 4.79 -2.04 -1.73 3.97 7.02 -0.26 -0.74 117.44 128.45 3mqg n TRP 23 Ca -0.17 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.89 3mqg n TRP 23 Cb 0.50 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 3mqg n TRP 23 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3mqg n HIS 24 N -0.76 2.83 -3.84 -5.99 8.25 -1.26 -3.48 115.22 110.97 3mqg n HIS 24 Ca 0.00 0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.32 3mqg n HIS 24 Cb 0.00 -2.64 0.03 0.00 1.12 0.00 0.00 29.99 28.50 3mqg n HIS 24 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3mqg n TRP 25 N 3.13 -2.23 -3.26 4.41 8.01 -1.25 -1.88 117.44 124.37 3mqg n TRP 25 Ca 0.12 0.90 -0.39 0.00 -1.31 0.00 0.00 57.50 56.82 3mqg n TRP 25 Cb 0.36 -4.17 -0.06 0.00 -2.01 0.00 0.00 31.31 25.43 3mqg n TRP 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mqg s VAL 26 N -3.41 4.80 -0.16 -0.99 1.01 -1.23 -3.22 120.40 117.20 3mqg s VAL 26 Ca 0.47 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.67 3mqg s VAL 26 Cb -0.23 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3mqg s VAL 26 CO 0.82 0.51 -0.17 -2.28 0.00 0.00 0.00 175.10 173.98 3mqg s HIS 27 N -0.83 2.77 -0.16 5.22 2.46 -0.76 -0.36 115.29 123.63 3mqg s HIS 27 Ca 0.29 -1.22 0.00 0.00 0.47 0.00 0.00 55.06 54.60 3mqg s HIS 27 Cb -0.19 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.37 3mqg s HIS 27 CO 0.18 -0.58 -0.15 0.42 -2.47 0.00 0.00 174.74 172.14 3mqg s ILE 28 N 0.96 2.61 0.71 0.89 1.01 -0.57 -1.43 121.20 125.38 3mqg s ILE 28 Ca -0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 3mqg s ILE 28 Cb -0.15 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3mqg s ILE 28 CO -0.03 0.51 1.07 0.00 0.00 0.00 0.00 174.94 176.49 3mqg h GLY 30 N -0.73 0.00 1.76 0.00 0.00 -1.78 -2.49 103.07 99.83 3mqg h GLY 30 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3mqg h GLY 30 CO 0.59 0.00 -0.14 0.61 0.00 0.00 0.00 176.54 177.60 3mqg n GLY 31 N -0.06 -1.50 3.77 4.60 0.00 -1.26 -1.87 105.19 108.88 3mqg n GLY 31 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3mqg n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 32 N -3.04 2.87 -0.14 4.61 0.00 -0.94 -4.65 121.76 120.48 3mqg s ALA 32 Ca 0.12 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3mqg s ALA 32 Cb 0.17 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3mqg s ALA 32 CO 0.59 -0.74 -0.13 -1.21 0.00 0.00 0.00 175.76 174.27 3mqg s GLU 33 N -2.90 2.13 -0.05 0.00 2.02 -0.90 -1.35 118.70 117.66 3mqg s GLU 33 Ca 0.67 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 55.21 3mqg s GLU 33 Cb -0.28 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 31.96 3mqg s GLU 33 CO 0.33 -0.24 -0.16 0.42 0.02 0.00 0.00 175.26 175.63 3mqg s ILE 34 N 1.52 1.39 0.00 -1.63 1.01 0.06 -0.20 121.20 123.35 3mqg s ILE 34 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3mqg s ILE 34 Cb -0.13 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3mqg s ILE 34 CO -0.10 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3mqg n GLY 35 N 3.29 -0.86 3.83 6.18 0.00 -0.20 -0.80 105.19 116.64 3mqg n GLY 35 Ca -0.19 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3mqg n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqg s GLU 36 N -0.04 4.09 -1.22 1.61 2.02 -1.26 -2.21 118.70 121.69 3mqg s GLU 36 Ca 0.00 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.67 3mqg s GLU 36 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 3mqg s GLU 36 CO 0.00 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.05 3mqg n GLY 37 N 0.44 1.19 3.85 -1.39 0.00 -0.43 -0.47 105.19 108.38 3mqg n GLY 37 Ca -0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3mqg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s SER 39 N -4.08 1.34 -0.21 0.00 0.15 -0.62 -0.79 113.70 109.48 3mqg s SER 39 Ca 0.58 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.07 3mqg s SER 39 Cb -0.13 -0.56 0.04 0.00 -1.71 0.00 0.00 66.02 63.67 3mqg s SER 39 CO 0.54 -0.07 -0.11 -0.76 1.20 0.00 0.00 173.24 174.03 3mqg s LEU 40 N 1.13 2.54 1.03 3.45 1.02 -0.06 -0.45 118.68 127.35 3mqg s LEU 40 Ca -0.07 -0.99 -0.17 0.00 0.02 0.00 0.00 54.13 52.92 3mqg s LEU 40 Cb -0.14 -1.33 0.22 0.00 0.02 0.00 0.00 46.19 44.96 3mqg s LEU 40 CO -0.01 -0.14 1.24 -0.83 0.02 0.00 0.00 176.35 176.62 3mqg s GLY 41 N 1.32 1.70 0.15 -3.19 0.00 0.29 -1.10 107.32 106.49 3mqg s GLY 41 Ca -0.02 -1.06 -0.34 0.00 0.00 0.00 0.00 44.72 43.30 3mqg s GLY 41 CO -0.08 -0.27 1.21 -0.18 0.00 0.00 0.00 173.10 173.78 3mqg n GLN 42 N -4.09 1.15 -1.42 2.90 7.27 -1.26 -1.97 117.38 119.97 3mqg n GLN 42 Ca 0.14 0.41 -0.14 0.00 0.07 0.00 0.00 57.00 57.48 3mqg n GLN 42 Cb 0.59 -1.95 -0.06 0.00 2.41 0.00 0.00 30.24 31.24 3mqg n GLN 42 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3mqg n ASN 43 N 2.15 -5.02 -4.74 1.69 5.15 -0.79 -1.46 115.26 112.24 3mqg n ASN 43 Ca 0.16 0.36 -0.36 0.00 -0.60 0.00 0.00 54.58 54.13 3mqg n ASN 43 Cb 0.23 -3.78 0.05 0.00 -0.53 0.00 0.00 39.78 35.75 3mqg n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mqg s VAL 44 N -2.44 2.36 -0.03 3.44 1.01 -0.83 -4.32 120.40 119.59 3mqg s VAL 44 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3mqg s VAL 44 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3mqg s VAL 44 CO 0.00 -0.05 -0.19 0.12 0.00 0.00 0.00 175.10 174.98 3mqg s PHE 45 N -1.49 1.82 -0.08 5.22 5.36 -0.77 -1.82 117.98 126.22 3mqg s PHE 45 Ca 0.79 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 3mqg s PHE 45 Cb -0.34 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.16 3mqg s PHE 45 CO 0.36 -0.12 -0.06 0.08 -1.46 0.00 0.00 175.22 174.03 3mqg s VAL 46 N -0.18 0.77 0.67 3.12 1.01 -0.52 0.11 120.40 125.37 3mqg s VAL 46 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3mqg s VAL 46 Cb -0.10 -0.80 0.16 0.00 0.00 0.00 0.00 36.38 35.64 3mqg s VAL 46 CO 0.01 0.30 0.75 0.61 0.00 0.00 0.00 175.10 176.77 3mqg n GLY 47 N 4.53 -1.93 0.10 4.51 0.00 -0.22 -0.92 105.19 111.26 3mqg n GLY 47 Ca -0.17 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 3mqg n GLY 47 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mqg h ASN 48 N -1.51 0.29 -1.58 1.61 2.35 -1.89 -3.33 115.58 111.52 3mqg h ASN 48 Ca -0.26 -0.95 -0.76 0.00 -0.55 0.00 0.00 56.30 53.78 3mqg h ASN 48 Cb 0.74 -0.09 -0.17 0.00 0.05 0.00 0.00 38.32 38.85 3mqg h ASN 48 CO 0.18 1.21 1.87 -1.14 -1.65 0.00 0.00 177.43 177.90 3mqg n ARG 49 N -4.33 3.80 -3.79 0.81 0.63 -1.26 -3.11 116.66 109.40 3mqg n ARG 49 Ca -0.12 -3.67 -0.14 0.00 -0.92 0.00 0.00 57.85 53.01 3mqg n ARG 49 Cb 0.67 -2.85 -0.15 0.00 0.45 0.00 0.00 32.46 30.58 3mqg n ARG 49 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqg s VAL 50 N -0.16 -0.04 -0.07 5.15 1.01 -1.26 -0.58 120.40 124.45 3mqg s VAL 50 Ca 0.39 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.53 3mqg s VAL 50 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.34 3mqg s VAL 50 CO 0.01 0.05 -0.17 -0.13 0.00 0.00 0.00 175.10 174.87 3mqg s ARG 51 N 0.74 2.12 -0.06 2.72 0.52 -1.23 -2.12 118.95 121.64 3mqg s ARG 51 Ca -0.06 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 3mqg s ARG 51 Cb -0.08 -1.71 0.01 0.00 0.52 0.00 0.00 34.95 33.69 3mqg s ARG 51 CO -0.03 0.13 -0.14 0.42 0.02 0.00 0.00 175.30 175.71 3mqg s ILE 52 N 0.39 1.21 0.00 1.52 1.01 0.71 -1.09 121.20 124.96 3mqg s ILE 52 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3mqg s ILE 52 Cb -0.15 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3mqg s ILE 52 CO 0.05 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3mqg n GLY 53 N 3.64 0.89 3.87 6.18 0.00 0.37 -1.04 105.19 119.12 3mqg n GLY 53 Ca -0.22 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 3mqg n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqg s ASN 54 N -1.00 6.60 -1.48 1.61 0.01 -1.26 -2.22 114.94 117.20 3mqg s ASN 54 Ca 0.00 0.74 -0.11 0.00 -0.71 0.00 0.00 52.86 52.77 3mqg s ASN 54 Cb 0.00 -2.16 0.06 0.00 0.41 0.00 0.00 41.25 39.57 3mqg s ASN 54 CO 0.00 0.15 1.00 -1.14 -1.51 0.00 0.00 177.10 175.60 3mqg n ARG 55 N 0.75 -5.98 -3.14 -0.60 0.63 0.38 -1.09 116.66 107.61 3mqg n ARG 55 Ca -0.07 0.65 -0.39 0.00 -0.92 0.00 0.00 57.85 57.12 3mqg n ARG 55 Cb 0.52 -5.55 -0.05 0.00 0.45 0.00 0.00 32.46 27.84 3mqg n ARG 55 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mqg s VAL 56 N -3.34 5.07 -0.29 5.15 1.01 -1.26 -3.49 120.40 123.25 3mqg s VAL 56 Ca 0.58 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.78 3mqg s VAL 56 Cb -0.28 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3mqg s VAL 56 CO 0.81 0.29 0.06 -0.54 0.00 0.00 0.00 175.10 175.72 3mqg s LYS 57 N 0.62 3.09 -0.29 2.72 1.02 -0.60 -1.60 119.74 124.70 3mqg s LYS 57 Ca 0.33 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.49 3mqg s LYS 57 Cb -0.17 -3.31 0.07 0.00 -0.52 0.00 0.00 37.83 33.89 3mqg s LYS 57 CO 0.16 -0.42 -0.04 0.42 -0.92 0.00 0.00 175.35 174.55 3mqg s ILE 58 N 1.48 2.42 1.08 2.17 1.01 0.41 -0.34 121.20 129.43 3mqg s ILE 58 Ca 0.02 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.72 3mqg s ILE 58 Cb -0.17 -2.51 0.25 0.00 0.01 0.00 0.00 42.46 40.04 3mqg s ILE 58 CO 0.02 -0.21 1.26 -1.10 0.00 0.00 0.00 174.94 174.91 3mqg s GLN 59 N 1.09 -0.32 0.47 2.79 -1.52 -0.30 -0.54 119.66 121.32 3mqg s GLN 59 Ca -0.03 -0.39 -0.23 0.00 -1.95 0.00 0.00 55.36 52.76 3mqg s GLN 59 Cb -0.20 -1.73 -0.09 0.00 -0.22 0.00 0.00 33.01 30.77 3mqg s GLN 59 CO -0.05 -3.06 1.03 0.09 -0.25 0.00 0.00 175.29 173.05 3mqg n ASN 60 N -4.23 1.29 -1.36 5.90 3.02 -1.26 -3.43 115.26 115.20 3mqg n ASN 60 Ca 0.16 0.99 -0.13 0.00 -0.03 0.00 0.00 54.58 55.57 3mqg n ASN 60 Cb 0.59 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.37 3mqg n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mqg n ASN 61 N 0.17 -4.18 -4.71 6.41 3.02 -0.54 -0.66 115.26 114.78 3mqg n ASN 61 Ca 0.10 0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 3mqg n ASN 61 Cb 0.41 -3.24 -0.08 0.00 -0.61 0.00 0.00 39.78 36.26 3mqg n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqg s VAL 62 N -2.61 5.31 -0.35 2.41 1.01 -1.22 -4.31 120.40 120.64 3mqg s VAL 62 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 3mqg s VAL 62 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3mqg s VAL 62 CO 0.00 0.43 0.15 -0.44 0.00 0.00 0.00 175.10 175.24 3mqg s SER 63 N 0.44 5.48 -1.00 3.32 0.01 -1.26 -1.84 113.70 118.85 3mqg s SER 63 Ca 0.07 -1.04 -0.15 0.00 1.31 0.00 0.00 55.95 56.15 3mqg s SER 63 Cb -0.11 -1.94 0.19 0.00 0.21 0.00 0.00 66.02 64.36 3mqg s SER 63 CO -0.01 -0.34 1.12 -0.69 0.41 0.00 0.00 173.24 173.73 3mqg s VAL 64 N 1.48 5.22 0.93 3.43 1.01 0.12 -4.19 120.40 128.40 3mqg s VAL 64 Ca 0.00 -2.35 -0.12 0.00 0.00 0.00 0.00 61.98 59.51 3mqg s VAL 64 Cb -0.19 -4.71 0.15 0.00 0.00 0.00 0.00 36.38 31.63 3mqg s VAL 64 CO 0.04 -1.37 1.09 -0.31 0.00 0.00 0.00 175.10 174.56 3mqg s TYR 65 N 1.18 2.23 0.22 5.22 2.02 -1.26 -1.06 117.35 125.91 3mqg s TYR 65 Ca 0.31 1.16 -0.28 0.00 -0.37 0.00 0.00 57.07 57.89 3mqg s TYR 65 Cb -0.06 -3.20 -0.16 0.00 -0.40 0.00 0.00 41.96 38.14 3mqg s TYR 65 CO -0.07 -2.58 0.66 -0.25 -1.57 0.00 0.00 175.55 171.74 3mqg n ASP 66 N -3.99 -0.53 0.00 2.29 8.00 -1.26 -2.59 116.55 118.47 3mqg n ASP 66 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3mqg n ASP 66 Cb 0.56 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3mqg n ASP 66 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mqg n ASN 67 N 1.78 -2.68 -4.44 -2.24 3.02 0.25 -4.74 115.26 106.21 3mqg n ASN 67 Ca 0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.38 3mqg n ASN 67 Cb 0.27 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.86 3mqg n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mqg s VAL 68 N -2.00 3.16 -0.07 2.41 1.01 -1.07 -1.19 120.40 122.65 3mqg s VAL 68 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3mqg s VAL 68 Cb 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3mqg s VAL 68 CO 0.00 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.22 3mqg s PHE 69 N -0.17 1.18 -0.19 5.22 0.08 -0.31 -3.54 117.98 120.24 3mqg s PHE 69 Ca 0.00 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3mqg s PHE 69 Cb -0.13 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 3mqg s PHE 69 CO 0.03 -0.31 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.16 3mqg s LEU 70 N 1.09 2.27 1.11 -0.37 1.43 -0.25 -0.75 118.68 123.21 3mqg s LEU 70 Ca -0.07 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 3mqg s LEU 70 Cb -0.14 -1.43 0.26 0.00 0.03 0.00 0.00 46.19 44.91 3mqg s LEU 70 CO -0.01 -0.05 1.23 -1.61 0.23 0.00 0.00 176.35 176.14 3mqg s GLU 71 N 1.30 -0.52 0.59 1.70 2.02 -0.28 -0.48 118.70 123.03 3mqg s GLU 71 Ca 0.03 -0.32 -0.20 0.00 0.02 0.00 0.00 54.97 54.49 3mqg s GLU 71 Cb -0.14 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 3mqg s GLU 71 CO -0.11 -3.20 1.26 -0.25 0.02 0.00 0.00 175.26 172.98 3mqg n ASP 72 N -4.34 2.13 -1.42 -0.19 10.43 -1.26 -3.20 116.55 118.69 3mqg n ASP 72 Ca 0.15 0.90 -0.16 0.00 2.57 0.00 0.00 54.79 58.25 3mqg n ASP 72 Cb 0.59 -1.53 -0.05 0.00 1.84 0.00 0.00 41.12 41.97 3mqg n ASP 72 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3mqg n ASP 73 N -1.21 -4.91 -4.79 -2.24 8.00 -0.25 -1.39 116.55 109.77 3mqg n ASP 73 Ca 0.13 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 3mqg n ASP 73 Cb 0.46 -3.89 -0.06 0.00 -0.02 0.00 0.00 41.12 37.61 3mqg n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqg s VAL 74 N -2.66 4.13 -0.19 2.53 1.01 -1.20 -3.30 120.40 120.73 3mqg s VAL 74 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 3mqg s VAL 74 Cb 0.00 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3mqg s VAL 74 CO 0.00 0.01 -0.17 0.12 0.00 0.00 0.00 175.10 175.07 3mqg s PHE 75 N -1.74 2.82 -0.36 5.22 5.36 -0.22 -1.56 117.98 127.49 3mqg s PHE 75 Ca 0.54 -1.53 -0.07 0.00 -0.96 0.00 0.00 56.93 54.92 3mqg s PHE 75 Cb -0.17 -1.96 0.05 0.00 -0.34 0.00 0.00 43.02 40.60 3mqg s PHE 75 CO 0.22 -0.76 0.15 0.00 -1.46 0.00 0.00 175.22 173.37 3mqg s GLY 77 N 1.59 1.59 -0.07 0.00 0.00 0.75 -1.15 107.32 110.03 3mqg s GLY 77 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 44.72 43.74 3mqg s GLY 77 CO 0.03 0.03 1.67 -1.05 0.00 0.00 0.00 173.10 173.78 3mqg n PRO 78 N -4.06 1.62 -1.80 2.90 -0.02 -1.26 -1.82 135.00 130.55 3mqg n PRO 78 Ca 0.08 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 3mqg n PRO 78 Cb 0.59 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3mqg n PRO 78 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3mqg n SER 79 N 4.81 -5.38 -4.78 2.55 7.64 0.16 -0.86 113.62 117.76 3mqg n SER 79 Ca 0.22 0.33 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 3mqg n SER 79 Cb 0.22 -4.53 0.06 0.00 -1.01 0.00 0.00 64.21 58.95 3mqg n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mqg s MET 80 N -4.03 2.64 -0.09 1.43 0.23 -0.76 -3.81 119.30 114.92 3mqg s MET 80 Ca 0.00 1.17 0.01 0.00 -1.03 0.00 0.00 55.69 55.84 3mqg s MET 80 Cb 0.00 -1.94 0.02 0.00 -1.53 0.00 0.00 34.83 31.37 3mqg s MET 80 CO 0.00 -1.34 -0.11 0.08 -2.03 0.00 0.00 175.02 171.62 3mqg s VAL 81 N -2.78 1.14 0.27 5.16 1.01 0.22 -4.44 120.40 120.98 3mqg s VAL 81 Ca 0.62 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3mqg s VAL 81 Cb -0.17 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3mqg s VAL 81 CO 0.51 0.37 0.31 -0.36 0.00 0.00 0.00 175.10 175.92 3mqg s PHE 82 N 1.09 3.20 0.12 5.22 0.08 -1.26 -0.69 117.98 125.73 3mqg s PHE 82 Ca -0.06 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.87 3mqg s PHE 82 Cb -0.14 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3mqg s PHE 82 CO -0.01 0.37 -0.00 0.95 -0.10 0.00 0.00 175.22 176.42 3mqg s THR 83 N -2.11 0.43 0.00 0.64 -4.23 -1.18 -4.89 115.64 104.30 3mqg s THR 83 Ca 0.36 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3mqg s THR 83 Cb -0.08 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.87 3mqg s THR 83 CO 0.27 -0.67 0.09 -0.46 -0.54 0.00 0.00 174.62 173.32 3mqg n ASN 84 N -0.09 0.19 -4.06 3.99 0.23 -1.26 -4.18 115.26 110.07 3mqg n ASN 84 Ca -0.09 -1.00 -0.25 0.00 -0.53 0.00 0.00 54.58 52.71 3mqg n ASN 84 Cb 0.62 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.16 3mqg n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3mqg s VAL 85 N -0.00 1.25 -0.02 3.53 1.01 -1.26 -2.23 120.40 122.67 3mqg s VAL 85 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 3mqg s VAL 85 Cb 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 36.38 35.05 3mqg s VAL 85 CO 0.00 0.37 1.11 0.22 0.00 0.00 0.00 175.10 176.81 3mqg h TYR 86 N 6.71 0.32 -2.12 5.22 5.03 -1.89 -3.40 116.97 126.84 3mqg h TYR 86 Ca -0.31 -0.15 -0.55 0.00 2.58 0.00 0.00 58.73 60.31 3mqg h TYR 86 Cb 1.19 -0.05 -0.41 0.00 1.55 0.00 0.00 36.73 39.01 3mqg h TYR 86 CO 0.47 0.90 -0.92 0.27 -1.32 0.00 0.00 178.16 177.56 3mqg n ASN 87 N -4.50 2.33 -4.75 -2.11 6.94 -1.26 -4.98 115.26 106.93 3mqg n ASN 87 Ca -0.09 -3.24 -0.42 0.00 -0.02 0.00 0.00 54.58 50.81 3mqg n ASN 87 Cb 0.48 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 3mqg n ASN 87 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3mqg n PRO 88 N 0.36 2.62 -4.34 -0.53 -0.04 -1.26 -5.03 135.00 126.79 3mqg n PRO 88 Ca 0.27 0.92 -0.20 0.00 -0.04 0.00 0.00 63.50 64.46 3mqg n PRO 88 Cb 0.52 -2.66 -0.15 0.00 -0.04 0.00 0.00 33.50 31.16 3mqg n PRO 88 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3mqg s ARG 89 N -1.41 0.88 0.38 0.54 1.81 -1.26 -5.05 118.95 114.84 3mqg s ARG 89 Ca 0.58 -0.27 0.08 0.00 -1.72 0.00 0.00 55.73 54.41 3mqg s ARG 89 Cb -0.50 -0.83 0.83 0.00 -0.45 0.00 0.00 34.95 34.00 3mqg s ARG 89 CO 0.57 0.09 1.96 0.00 -0.68 0.00 0.00 175.30 177.25 3mqg h ALA 90 N 6.42 1.80 -0.01 2.13 0.00 -2.04 -2.05 119.26 125.51 3mqg h ALA 90 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mqg h ALA 90 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3mqg h ALA 90 CO 0.49 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 3mqg n ALA 91 N -2.47 2.66 -3.95 0.00 0.00 -1.26 -4.69 120.51 110.80 3mqg n ALA 91 Ca 0.11 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3mqg n ALA 91 Cb 0.28 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3mqg n ALA 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mqg s ILE 92 N -2.08 2.45 0.30 0.00 1.01 -0.77 -5.09 121.20 117.01 3mqg s ILE 92 Ca 0.37 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.89 3mqg s ILE 92 Cb 0.21 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 3mqg s ILE 92 CO 0.37 -0.28 1.03 -0.70 0.00 0.00 0.00 174.94 175.36 3mqg s GLU 93 N 1.07 4.59 0.00 2.79 2.12 -1.26 -4.55 118.70 123.46 3mqg s GLU 93 Ca -0.01 1.61 0.08 0.00 0.36 0.00 0.00 54.97 57.01 3mqg s GLU 93 Cb -0.20 -3.03 0.15 0.00 0.26 0.00 0.00 34.13 31.31 3mqg s GLU 93 CO -0.05 0.22 0.97 0.54 -0.54 0.00 0.00 175.26 176.41 3mqg n ARG 94 N 0.92 1.51 -0.29 4.30 1.74 -1.26 -4.86 116.66 118.72 3mqg n ARG 94 Ca 0.00 -1.45 0.04 0.00 -0.77 0.00 0.00 57.85 55.68 3mqg n ARG 94 Cb 0.47 -1.18 0.13 0.00 -1.02 0.00 0.00 32.46 30.86 3mqg n ARG 94 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3mqg h LYS 95 N 1.59 0.01 0.00 5.56 1.57 -1.99 2.90 116.57 126.21 3mqg h LYS 95 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mqg h LYS 95 Cb 0.51 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3mqg h LYS 95 CO 0.00 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3mqg n SER 96 N -5.51 0.00 -0.77 0.86 3.41 -1.26 -1.27 113.62 109.08 3mqg n SER 96 Ca 0.13 0.42 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 3mqg n SER 96 Cb 0.46 -0.45 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3mqg n SER 96 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mqg n GLU 97 N -1.45 1.75 -1.65 4.33 1.02 0.97 -5.01 120.64 120.61 3mqg n GLU 97 Ca 0.02 -1.74 -0.39 0.00 -0.02 0.00 0.00 57.16 55.03 3mqg n GLU 97 Cb 0.09 -1.35 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 3mqg n GLU 97 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mqg n TYR 98 N 0.99 1.31 -5.05 -0.32 4.02 -0.40 -4.78 117.16 112.93 3mqg n TYR 98 Ca 0.12 0.47 -0.31 0.00 -0.01 0.00 0.00 57.90 58.17 3mqg n TYR 98 Cb 0.45 -2.23 -0.15 0.00 -0.02 0.00 0.00 39.34 37.40 3mqg n TYR 98 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3mqg s ARG 99 N -2.54 2.18 0.34 -0.72 0.52 -0.95 -5.04 118.95 112.75 3mqg s ARG 99 Ca 0.70 -0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 54.76 3mqg s ARG 99 Cb -0.46 -2.15 -0.09 0.00 0.52 0.00 0.00 34.95 32.77 3mqg s ARG 99 CO 0.51 0.57 1.05 -0.51 0.02 0.00 0.00 175.30 176.94 3mqg s ASP 100 N -0.84 7.02 -0.16 0.23 1.01 -1.26 -4.19 116.67 118.49 3mqg s ASP 100 Ca 0.11 2.09 0.02 0.00 0.71 0.00 0.00 52.55 55.48 3mqg s ASP 100 Cb -0.10 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.24 3mqg s ASP 100 CO 0.01 -0.30 -0.21 -0.89 0.21 0.00 0.00 175.17 173.98 3mqg s THR 101 N -1.47 2.07 -0.17 -1.27 2.01 -0.33 -2.16 115.64 114.32 3mqg s THR 101 Ca 0.52 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 3mqg s THR 101 Cb -0.25 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3mqg s THR 101 CO 0.32 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 174.02 3mqg s ILE 102 N 1.06 2.66 -0.26 1.82 1.01 -1.10 -1.17 121.20 125.21 3mqg s ILE 102 Ca -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 3mqg s ILE 102 Cb -0.14 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3mqg s ILE 102 CO -0.07 0.50 -0.00 -0.69 0.00 0.00 0.00 174.94 174.68 3mqg s VAL 103 N 1.07 3.41 0.72 2.92 1.01 0.07 -0.80 120.40 128.80 3mqg s VAL 103 Ca -0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3mqg s VAL 103 Cb -0.14 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3mqg s VAL 103 CO -0.04 0.19 1.08 -0.13 0.00 0.00 0.00 175.10 176.20 3mqg s ARG 104 N 1.42 2.43 0.12 2.72 1.81 0.17 -1.12 118.95 126.50 3mqg s ARG 104 Ca 0.02 0.12 -0.35 0.00 -1.72 0.00 0.00 55.73 53.80 3mqg s ARG 104 Cb -0.16 -2.07 -0.15 0.00 -0.45 0.00 0.00 34.95 32.11 3mqg s ARG 104 CO -0.01 -1.21 1.46 0.94 -0.68 0.00 0.00 175.30 175.79 3mqg n GLN 105 N -3.03 1.64 -0.09 3.54 7.27 -1.26 -1.90 117.38 123.56 3mqg n GLN 105 Ca 0.07 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.73 3mqg n GLN 105 Cb 0.59 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.94 3mqg n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mqg n GLY 106 N 2.96 1.70 3.76 1.69 0.00 -0.48 -0.84 105.19 113.97 3mqg n GLY 106 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3mqg n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 107 N -2.70 2.54 -0.12 4.61 0.00 -0.80 -4.08 121.76 121.21 3mqg s ALA 107 Ca 0.00 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3mqg s ALA 107 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3mqg s ALA 107 CO 0.00 -1.13 -0.16 0.99 0.00 0.00 0.00 175.76 175.46 3mqg s THR 108 N -1.79 2.78 -0.33 0.00 2.01 -0.01 -1.06 115.64 117.23 3mqg s THR 108 Ca 0.74 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 3mqg s THR 108 Cb -0.27 -2.13 0.06 0.00 0.01 0.00 0.00 72.50 70.17 3mqg s THR 108 CO 0.33 0.54 0.07 -0.76 -0.69 0.00 0.00 174.62 174.11 3mqg s LEU 109 N 0.27 4.27 0.84 4.42 1.43 0.45 -0.68 118.68 129.68 3mqg s LEU 109 Ca -0.11 -1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 51.50 3mqg s LEU 109 Cb -0.16 -1.77 0.10 0.00 0.03 0.00 0.00 46.19 44.39 3mqg s LEU 109 CO 0.06 -0.33 1.12 -0.83 0.23 0.00 0.00 176.35 176.60 3mqg s GLY 110 N 1.41 1.68 -0.09 -3.19 0.00 0.63 -0.18 107.32 107.57 3mqg s GLY 110 Ca -0.02 0.40 -0.40 0.00 0.00 0.00 0.00 44.72 44.70 3mqg s GLY 110 CO -0.01 0.79 1.35 0.00 0.00 0.00 0.00 173.10 175.23 3mqg n ALA 111 N -3.87 -1.84 -1.28 3.20 0.00 -1.26 -1.65 120.51 113.80 3mqg n ALA 111 Ca 0.10 0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.97 3mqg n ALA 111 Cb 0.53 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 3mqg n ALA 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mqg n ASN 112 N 2.84 -4.80 -4.73 0.00 5.15 -0.04 -0.51 115.26 113.18 3mqg n ASN 112 Ca 0.22 0.24 -0.29 0.00 -0.60 0.00 0.00 54.58 54.16 3mqg n ASN 112 Cb 0.10 -3.16 0.14 0.00 -0.53 0.00 0.00 39.78 36.34 3mqg n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mqg s THR 114 N -3.29 0.28 -0.35 0.00 2.01 -0.19 -0.61 115.64 113.48 3mqg s THR 114 Ca 0.64 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 3mqg s THR 114 Cb -0.14 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 72.13 3mqg s THR 114 CO 0.53 0.12 0.13 -0.69 -0.69 0.00 0.00 174.62 174.02 3mqg s VAL 115 N 0.38 3.86 0.21 3.82 1.01 0.13 -0.58 120.40 129.24 3mqg s VAL 115 Ca -0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 3mqg s VAL 115 Cb -0.07 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3mqg s VAL 115 CO -0.01 -0.24 1.42 -0.69 0.00 0.00 0.00 175.10 175.58 3mqg s VAL 116 N 1.40 2.87 0.59 2.92 1.01 -0.01 -3.12 120.40 126.06 3mqg s VAL 116 Ca -0.01 0.70 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 3mqg s VAL 116 Cb -0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3mqg s VAL 116 CO 0.03 0.10 1.25 0.00 0.00 0.00 0.00 175.10 176.47 3mqg n GLY 118 N 0.63 2.97 3.77 0.00 0.00 -0.92 -4.86 105.19 106.79 3mqg n GLY 118 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3mqg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 119 N -2.66 2.83 -0.17 4.61 0.00 -1.16 -4.84 121.76 120.37 3mqg s ALA 119 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3mqg s ALA 119 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3mqg s ALA 119 CO 0.00 -0.67 -0.01 0.99 0.00 0.00 0.00 175.76 176.07 3mqg s THR 120 N -1.69 4.07 -0.26 0.00 2.01 -1.26 -2.71 115.64 115.80 3mqg s THR 120 Ca 0.68 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 3mqg s THR 120 Cb -0.25 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3mqg s THR 120 CO 0.29 0.47 0.09 -0.63 -0.69 0.00 0.00 174.62 174.16 3mqg s ILE 121 N 0.49 4.46 0.90 1.82 -1.09 0.02 -1.27 121.20 126.53 3mqg s ILE 121 Ca -0.02 -0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.14 3mqg s ILE 121 Cb -0.14 -3.11 0.13 0.00 -1.58 0.00 0.00 42.46 37.77 3mqg s ILE 121 CO 0.02 0.31 1.12 -0.83 -1.23 0.00 0.00 174.94 174.34 3mqg s GLY 122 N 1.63 1.58 0.21 6.18 0.00 0.58 -0.65 107.32 116.84 3mqg s GLY 122 Ca 0.06 -0.43 -0.32 0.00 0.00 0.00 0.00 44.72 44.03 3mqg s GLY 122 CO 0.05 0.10 1.65 0.54 0.00 0.00 0.00 173.10 175.44 3mqg n ARG 123 N -3.75 2.53 -1.67 2.90 1.74 -1.26 -1.55 116.66 115.60 3mqg n ARG 123 Ca 0.06 0.91 -0.18 0.00 -0.77 0.00 0.00 57.85 57.87 3mqg n ARG 123 Cb 0.58 -2.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.24 3mqg n ARG 123 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3mqg n TYR 124 N 3.47 -0.27 -0.73 -1.55 4.01 -0.02 -0.71 117.16 121.36 3mqg n TYR 124 Ca 0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 3mqg n TYR 124 Cb 0.33 -3.27 0.23 0.00 -0.31 0.00 0.00 39.34 36.32 3mqg n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mqg s ALA 125 N -2.62 -0.01 -0.18 -0.72 0.00 -0.60 -3.87 121.76 113.76 3mqg s ALA 125 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 3mqg s ALA 125 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.98 3mqg s ALA 125 CO 0.00 -3.53 0.18 0.12 0.00 0.00 0.00 175.76 172.53 3mqg s PHE 126 N -2.61 -0.13 -0.35 0.00 5.36 0.19 -0.83 117.98 119.60 3mqg s PHE 126 Ca 0.67 0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.60 3mqg s PHE 126 Cb -0.23 -0.44 -0.01 0.00 -0.34 0.00 0.00 43.02 42.00 3mqg s PHE 126 CO 0.62 -0.54 0.43 0.08 -1.46 0.00 0.00 175.22 174.36 3mqg s VAL 127 N 2.27 5.10 0.78 3.12 1.01 0.15 -1.45 120.40 131.38 3mqg s VAL 127 Ca 0.05 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 3mqg s VAL 127 Cb -0.15 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.36 3mqg s VAL 127 CO -0.10 -0.18 0.92 0.61 0.00 0.00 0.00 175.10 176.35 3mqg n GLY 128 N 4.91 -0.64 3.60 4.51 0.00 0.28 -0.27 105.19 117.58 3mqg n GLY 128 Ca -0.07 -0.45 -0.50 0.00 0.00 0.00 0.00 46.02 45.00 3mqg n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg n ALA 129 N -2.92 -0.52 -0.88 4.61 0.00 -1.26 -1.96 120.51 117.58 3mqg n ALA 129 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3mqg n ALA 129 Cb 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3mqg n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqg n GLY 130 N 2.41 0.90 3.75 0.00 0.00 0.34 -4.84 105.19 107.74 3mqg n GLY 130 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3mqg n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mqg s ALA 131 N -3.48 2.23 -0.26 4.61 0.00 -0.83 -4.74 121.76 119.29 3mqg s ALA 131 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3mqg s ALA 131 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3mqg s ALA 131 CO 0.00 -1.69 -0.08 0.08 0.00 0.00 0.00 175.76 174.07 3mqg s VAL 132 N -2.38 2.58 -0.26 0.00 1.01 -0.59 -1.02 120.40 119.74 3mqg s VAL 132 Ca 0.68 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3mqg s VAL 132 Cb -0.22 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3mqg s VAL 132 CO 0.47 0.08 0.46 -0.69 0.00 0.00 0.00 175.10 175.42 3mqg s VAL 133 N 1.23 5.11 -0.10 2.92 1.01 0.26 -0.01 120.40 130.81 3mqg s VAL 133 Ca -0.04 0.77 0.13 0.00 0.00 0.00 0.00 61.98 62.85 3mqg s VAL 133 Cb -0.18 -3.78 0.22 0.00 0.00 0.00 0.00 36.38 32.64 3mqg s VAL 133 CO -0.05 0.12 1.11 -0.46 0.00 0.00 0.00 175.10 175.83 3mqg n ASN 134 N 5.38 1.63 -3.75 3.32 6.94 -1.26 -0.83 115.26 126.70 3mqg n ASN 134 Ca -0.06 -2.81 -0.10 0.00 -0.02 0.00 0.00 54.58 51.59 3mqg n ASN 134 Cb 0.50 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 3mqg n ASN 134 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3mqg s LYS 135 N -2.04 1.33 0.62 -3.83 -2.85 -1.26 -5.01 119.74 106.70 3mqg s LYS 135 Ca 0.24 -0.88 -0.19 0.00 -1.00 0.00 0.00 55.97 54.14 3mqg s LYS 135 Cb 0.21 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.46 3mqg s LYS 135 CO 0.01 -0.55 1.23 -0.25 0.10 0.00 0.00 175.35 175.89 3mqg n ASP 136 N -0.32 1.89 -4.23 0.03 8.00 -1.26 -4.78 116.55 115.88 3mqg n ASP 136 Ca -0.10 0.85 -0.34 0.00 0.71 0.00 0.00 54.79 55.91 3mqg n ASP 136 Cb 0.63 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 40.06 3mqg n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mqg s VAL 137 N -1.39 2.87 0.85 2.53 1.01 -0.40 -4.99 120.40 120.88 3mqg s VAL 137 Ca 0.79 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3mqg s VAL 137 Cb -0.40 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 33.79 3mqg s VAL 137 CO 0.43 0.42 1.16 -2.84 0.00 0.00 0.00 175.10 174.27 3mqg s PRO 138 N 1.39 1.44 0.20 2.72 0.02 -1.26 -0.31 135.00 139.20 3mqg s PRO 138 Ca 0.05 1.55 -0.33 0.00 0.02 0.00 0.00 61.00 62.30 3mqg s PRO 138 Cb -0.14 -1.77 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 3mqg s PRO 138 CO -0.07 -2.32 1.40 -0.25 -0.33 0.00 0.00 177.00 175.44 3mqg n ASP 139 N -3.78 2.53 0.00 2.53 8.00 -1.26 -1.30 116.55 123.26 3mqg n ASP 139 Ca 0.12 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.75 3mqg n ASP 139 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3mqg n ASP 139 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mqg n PHE 140 N 2.25 0.00 -2.50 1.24 3.01 0.12 -4.55 117.46 117.02 3mqg n PHE 140 Ca 0.14 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.20 3mqg n PHE 140 Cb 0.29 -0.70 -0.04 0.00 -0.01 0.00 0.00 39.48 39.01 3mqg n PHE 140 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mqg s ALA 141 N -2.46 3.37 -0.30 4.37 0.00 -0.42 0.06 121.76 126.39 3mqg s ALA 141 Ca 0.00 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3mqg s ALA 141 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3mqg s ALA 141 CO 0.00 -0.14 0.19 -1.17 0.00 0.00 0.00 175.76 174.64 3mqg s LEU 142 N -1.57 4.14 -0.02 0.00 2.96 -0.45 -0.64 118.68 123.11 3mqg s LEU 142 Ca 0.46 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 3mqg s LEU 142 Cb -0.30 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 3mqg s LEU 142 CO 0.39 -0.12 -0.20 0.68 -1.32 0.00 0.00 176.35 175.77 3mqg s VAL 143 N 1.72 1.64 0.05 1.68 -7.23 -0.53 -1.03 120.40 116.70 3mqg s VAL 143 Ca 0.06 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.36 3mqg s VAL 143 Cb -0.16 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 3mqg s VAL 143 CO 0.10 0.46 -0.03 0.68 -0.31 0.00 0.00 175.10 176.00 3mqg s VAL 144 N -0.36 0.25 0.00 1.32 -7.23 -0.56 -0.55 120.40 113.26 3mqg s VAL 144 Ca 0.05 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 3mqg s VAL 144 Cb -0.09 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.53 3mqg s VAL 144 CO 0.00 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 3mqg n GLY 145 N 0.36 1.83 3.06 2.32 0.00 -1.26 -1.01 105.19 110.49 3mqg n GLY 145 Ca -0.16 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 3mqg n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqg s VAL 146 N -2.11 2.66 0.77 1.61 1.01 -1.26 -1.55 120.40 121.53 3mqg s VAL 146 Ca 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 59.68 3mqg s VAL 146 Cb 0.00 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.56 3mqg s VAL 146 CO 0.00 -0.59 1.15 -2.16 0.00 0.00 0.00 175.10 173.50 3mqg s PRO 147 N 1.01 2.29 0.23 2.72 0.04 -1.26 -5.01 135.00 135.01 3mqg s PRO 147 Ca 0.09 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 3mqg s PRO 147 Cb -0.20 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3mqg s PRO 147 CO -0.06 -1.39 1.20 0.00 0.04 0.00 0.00 177.00 176.79 3mqg s ALA 148 N -3.50 3.45 0.10 8.56 0.00 0.98 -4.85 121.76 126.50 3mqg s ALA 148 Ca 0.61 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.63 3mqg s ALA 148 Cb -0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3mqg s ALA 148 CO 0.50 -0.38 -0.17 1.03 0.00 0.00 0.00 175.76 176.75 3mqg s ARG 149 N -0.68 1.01 0.00 0.00 1.81 -0.18 -4.86 118.95 116.06 3mqg s ARG 149 Ca 0.51 -1.13 -0.26 0.00 -1.72 0.00 0.00 55.73 53.13 3mqg s ARG 149 Cb -0.34 -1.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.03 3mqg s ARG 149 CO 0.40 0.24 0.82 -1.14 -0.68 0.00 0.00 175.30 174.94 3mqg s GLN 150 N -2.10 4.51 -0.00 3.54 0.74 -1.26 -1.49 119.66 123.60 3mqg s GLN 150 Ca 0.05 1.14 0.02 0.00 0.05 0.00 0.00 55.36 56.61 3mqg s GLN 150 Cb -0.09 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 3mqg s GLN 150 CO 0.04 0.11 0.07 0.44 -0.55 0.00 0.00 175.29 175.40 3mqg n ILE 151 N 3.42 0.00 -3.43 -2.34 -5.35 -0.20 -4.99 119.36 106.48 3mqg n ILE 151 Ca 0.01 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3mqg n ILE 151 Cb 0.51 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 3mqg n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mqg n GLY 152 N 1.12 1.13 3.10 3.28 0.00 -1.18 -5.01 105.19 107.63 3mqg n GLY 152 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 3mqg n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mqg s TRP 153 N -4.32 1.34 -0.13 1.61 0.52 -1.26 -1.34 118.94 115.37 3mqg s TRP 153 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 3mqg s TRP 153 Cb 0.00 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 3mqg s TRP 153 CO 0.00 -0.07 -0.07 1.41 0.02 0.00 0.00 176.95 178.24 3mqg s MET 154 N -0.15 3.42 0.99 4.98 1.75 0.11 -0.87 119.30 129.53 3mqg s MET 154 Ca 0.02 -0.57 -0.12 0.00 -1.25 0.00 0.00 55.69 53.77 3mqg s MET 154 Cb -0.08 -2.78 0.19 0.00 2.84 0.00 0.00 34.83 35.00 3mqg s MET 154 CO 0.00 0.32 1.08 -1.54 -0.65 0.00 0.00 175.02 174.24 3mqg s SER 155 N 0.12 2.59 0.28 1.11 1.04 -0.39 -4.71 113.70 113.75 3mqg s SER 155 Ca -0.03 1.38 0.03 0.00 0.48 0.00 0.00 55.95 57.81 3mqg s SER 155 Cb -0.14 -2.06 0.64 0.00 0.10 0.00 0.00 66.02 64.56 3mqg s SER 155 CO 0.03 -3.18 1.77 0.03 0.98 0.00 0.00 173.24 172.88 3mqg h ARG 156 N -1.92 0.68 -0.50 4.02 3.08 -1.90 -0.27 114.38 117.58 3mqg h ARG 156 Ca -0.54 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 59.57 3mqg h ARG 156 Cb 1.31 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3mqg h ARG 156 CO 0.55 0.45 0.34 1.25 -1.07 0.00 0.00 179.97 181.49 3mqg h HIS 157 N 0.70 0.23 -0.07 3.04 2.76 -1.99 -3.46 115.15 116.37 3mqg h HIS 157 Ca 0.52 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 3mqg h HIS 157 Cb 0.78 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3mqg h HIS 157 CO -0.05 0.11 0.00 0.41 -1.30 0.00 0.00 177.93 177.10 3mqg n GLY 158 N -1.56 1.17 3.13 5.26 0.00 -0.11 -5.13 105.19 107.94 3mqg n GLY 158 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3mqg n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqg s GLU 159 N -0.57 0.72 0.46 1.61 2.12 -1.26 -4.91 118.70 116.87 3mqg s GLU 159 Ca 0.00 -1.03 -0.24 0.00 0.36 0.00 0.00 54.97 54.07 3mqg s GLU 159 Cb 0.00 -0.39 -0.07 0.00 0.26 0.00 0.00 34.13 33.93 3mqg s GLU 159 CO 0.00 0.05 1.24 -0.65 -0.54 0.00 0.00 175.26 175.36 3mqg s GLN 160 N -2.48 3.69 0.25 4.30 -0.21 -1.26 -1.26 119.66 122.69 3mqg s GLN 160 Ca 0.00 1.97 -0.11 0.00 0.02 0.00 0.00 55.36 57.24 3mqg s GLN 160 Cb -0.04 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.42 3mqg s GLN 160 CO -0.01 -0.66 0.60 -0.51 -2.12 0.00 0.00 175.29 172.59 3mqg s LEU 161 N -2.96 4.14 -1.33 2.90 1.43 -0.05 -4.84 118.68 117.98 3mqg s LEU 161 Ca 0.63 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 3mqg s LEU 161 Cb -0.34 -3.78 0.12 0.00 0.03 0.00 0.00 46.19 42.23 3mqg s LEU 161 CO 0.41 -0.10 1.91 -0.67 0.23 0.00 0.00 176.35 178.13 3mqg n ASP 162 N -0.17 4.73 -3.74 2.29 -0.08 -1.26 -4.66 116.55 113.65 3mqg n ASP 162 Ca 0.01 -3.00 -0.16 0.00 -1.51 0.00 0.00 54.79 50.14 3mqg n ASP 162 Cb 0.53 -1.57 -0.16 0.00 2.34 0.00 0.00 41.12 42.26 3mqg n ASP 162 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3mqg s LEU 163 N 1.17 0.75 0.83 -2.67 2.96 -1.26 -4.72 118.68 115.73 3mqg s LEU 163 Ca 0.44 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 54.36 3mqg s LEU 163 Cb 0.09 0.03 0.09 0.00 0.50 0.00 0.00 46.19 46.90 3mqg s LEU 163 CO -0.02 -0.16 1.11 -2.16 -1.32 0.00 0.00 176.35 173.79 3mqg s PRO 164 N 1.39 1.78 0.29 0.98 0.04 -1.26 -4.74 135.00 133.47 3mqg s PRO 164 Ca -0.06 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.26 3mqg s PRO 164 Cb -0.12 -1.84 0.46 0.00 0.04 0.00 0.00 34.50 33.04 3mqg s PRO 164 CO -0.04 -2.00 1.74 -0.07 0.04 0.00 0.00 177.00 176.67 3mqg h LEU 165 N -1.39 0.41 -9.14 -3.56 3.38 -1.96 -3.46 115.31 99.59 3mqg h LEU 165 Ca -0.44 -0.14 -0.65 0.00 0.09 0.00 0.00 57.88 56.74 3mqg h LEU 165 Cb 1.25 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.71 3mqg h LEU 165 CO 0.49 0.67 -0.79 -0.13 0.09 0.00 0.00 178.44 178.78 3mqg s ARG 166 N -4.45 1.77 0.91 1.13 1.81 -1.26 -4.53 118.95 114.33 3mqg s ARG 166 Ca -0.06 -1.33 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 3mqg s ARG 166 Cb 0.14 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.61 3mqg s ARG 166 CO 0.78 0.44 0.00 0.41 -0.68 0.00 0.00 175.30 176.25 3mqg n GLY 167 N 0.38 -0.37 3.30 -3.53 0.00 -1.26 -4.74 105.19 98.98 3mqg n GLY 167 Ca -0.13 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 3mqg n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mqg s ASN 168 N -4.00 3.37 0.13 1.61 0.01 -1.26 -0.72 114.94 114.07 3mqg s ASN 168 Ca 0.00 -0.45 -0.25 0.00 -0.71 0.00 0.00 52.86 51.45 3mqg s ASN 168 Cb 0.00 -1.10 0.08 0.00 0.41 0.00 0.00 41.25 40.64 3mqg s ASN 168 CO 0.00 0.22 1.07 0.00 -1.51 0.00 0.00 177.10 176.89 3mqg s ALA 169 N -0.03 -1.78 0.04 0.60 0.00 -0.67 -4.99 121.76 114.93 3mqg s ALA 169 Ca -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3mqg s ALA 169 Cb -0.15 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3mqg s ALA 169 CO 0.05 -1.07 -0.06 -1.21 0.00 0.00 0.00 175.76 173.47 3mqg s GLU 170 N -2.52 0.52 0.21 0.00 2.02 -1.26 -0.40 118.70 117.27 3mqg s GLU 170 Ca 0.19 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.24 3mqg s GLU 170 Cb -0.01 -0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.05 3mqg s GLU 170 CO 0.03 0.01 0.40 0.00 0.02 0.00 0.00 175.26 175.72 3mqg s ALA 171 N -1.79 -0.20 -0.01 5.21 0.00 -0.68 -4.88 121.76 119.41 3mqg s ALA 171 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3mqg s ALA 171 Cb -0.07 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3mqg s ALA 171 CO -0.01 -0.76 -0.12 0.99 0.00 0.00 0.00 175.76 175.86 3mqg s THR 172 N -3.98 0.99 -0.02 0.00 2.01 -1.26 -0.56 115.64 112.82 3mqg s THR 172 Ca 0.19 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 3mqg s THR 172 Cb 0.01 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 3mqg s THR 172 CO 0.04 0.28 1.14 0.00 -0.69 0.00 0.00 174.62 175.39 3mqg h PRO 174 N 7.10 0.00 0.04 0.00 0.13 -1.95 0.17 132.00 137.49 3mqg h PRO 174 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.52 3mqg h PRO 174 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3mqg h PRO 174 CO 0.83 0.06 -1.14 0.45 -0.23 0.00 0.00 178.00 177.98 3mqg h HIS 175 N 0.00 0.17 0.00 1.56 3.86 -1.98 -3.38 115.15 115.38 3mqg h HIS 175 Ca -0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3mqg h HIS 175 Cb 0.63 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3mqg h HIS 175 CO 0.00 1.10 -0.68 0.25 0.86 0.00 0.00 177.93 179.47 3mqg n THR 176 N -3.39 0.00 -0.95 2.45 -2.24 -1.22 -5.01 114.28 103.92 3mqg n THR 176 Ca -0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3mqg n THR 176 Cb 0.98 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 3mqg n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mqg n GLY 177 N 1.99 0.33 3.69 3.38 0.00 0.58 -5.01 105.19 110.15 3mqg n GLY 177 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3mqg n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mqg n GLU 178 N -1.34 2.21 -3.81 1.61 1.02 -1.25 -4.66 120.64 114.42 3mqg n GLU 178 Ca 0.00 0.78 -0.37 0.00 -0.02 0.00 0.00 57.16 57.56 3mqg n GLU 178 Cb 0.18 -2.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.07 3mqg n GLU 178 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mqg s ARG 179 N -0.50 3.53 0.04 3.49 0.52 -1.26 -0.83 118.95 123.94 3mqg s ARG 179 Ca 0.67 -0.04 0.09 0.00 -0.52 0.00 0.00 55.73 55.92 3mqg s ARG 179 Cb -0.61 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 31.65 3mqg s ARG 179 CO 0.50 0.75 -0.26 0.71 0.02 0.00 0.00 175.30 177.02 3mqg s TYR 180 N -1.07 2.25 -0.07 -0.53 1.51 0.28 -0.52 117.35 119.19 3mqg s TYR 180 Ca 0.18 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 3mqg s TYR 180 Cb -0.13 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3mqg s TYR 180 CO 0.07 0.11 -0.17 0.42 -1.11 0.00 0.00 175.55 174.87 3mqg s ILE 181 N -0.79 1.49 -0.20 2.71 1.01 0.32 -1.69 121.20 124.06 3mqg s ILE 181 Ca 0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 3mqg s ILE 181 Cb -0.10 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3mqg s ILE 181 CO 0.02 0.43 0.02 -0.22 0.00 0.00 0.00 174.94 175.19 3mqg s LEU 182 N 0.38 3.38 -0.21 2.97 2.96 0.47 -1.02 118.68 127.60 3mqg s LEU 182 Ca -0.12 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3mqg s LEU 182 Cb -0.15 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.73 3mqg s LEU 182 CO 0.05 0.07 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.20 3mqg s THR 183 N 0.95 1.46 -1.50 3.68 2.01 -0.02 -1.67 115.64 120.55 3mqg s THR 183 Ca 0.02 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 3mqg s THR 183 Cb -0.14 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.70 3mqg s THR 183 CO 0.02 -0.00 0.13 0.47 -0.69 0.00 0.00 174.62 174.55 3mqg n ASP 184 N 4.72 0.51 0.00 3.53 10.43 -0.36 -1.32 116.55 134.06 3mqg n ASP 184 Ca -0.13 -1.20 0.00 0.00 2.57 0.00 0.00 54.79 56.03 3mqg n ASP 184 Cb 0.45 -2.01 0.00 0.00 1.84 0.00 0.00 41.12 41.40 3mqg n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mqg n GLY 185 N -2.41 0.54 3.32 0.44 0.00 0.10 -4.68 105.19 102.50 3mqg n GLY 185 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3mqg n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mqg s VAL 186 N -2.11 3.05 -0.15 1.61 1.01 -0.43 -4.90 120.40 118.47 3mqg s VAL 186 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 3mqg s VAL 186 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3mqg s VAL 186 CO 0.00 0.49 0.13 0.00 0.00 0.00 0.00 175.10 175.73 3mqg s ARG 188 N -0.52 0.55 0.30 0.00 1.70 -0.19 -4.78 118.95 116.01 3mqg s ARG 188 Ca 0.12 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 54.11 3mqg s ARG 188 Cb -0.12 0.02 -0.10 0.00 -0.57 0.00 0.00 34.95 34.18 3mqg s ARG 188 CO 0.02 -0.05 1.40 -1.17 -1.08 0.00 0.00 175.30 174.42 3mqg s LEU 189 N -2.27 4.39 0.00 -1.89 2.96 -1.26 -0.52 118.68 120.08 3mqg s LEU 189 Ca -0.02 2.75 0.27 0.00 -0.22 0.00 0.00 54.13 56.91 3mqg s LEU 189 Cb -0.01 -3.64 1.62 0.00 0.50 0.00 0.00 46.19 44.66 3mqg s LEU 189 CO -0.05 -0.67 1.97 0.00 -1.32 0.00 0.00 176.35 176.28