#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqg n ALA 2 N 0.00 -1.95 -2.65 3.04 0.00 -1.24 -4.38 120.51 113.33 3mqg n ALA 2 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 3mqg n ALA 2 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 3mqg n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mqg s THR 3 N -2.07 5.11 -0.16 0.00 -4.23 0.41 -4.96 115.64 109.75 3mqg s THR 3 Ca 0.62 0.90 0.02 0.00 -1.18 0.00 0.00 61.69 62.05 3mqg s THR 3 Cb -0.30 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 69.73 3mqg s THR 3 CO 0.62 0.16 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.01 3mqg s ILE 4 N 1.79 2.05 0.46 2.99 1.01 -1.26 -0.79 121.20 127.45 3mqg s ILE 4 Ca 0.23 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3mqg s ILE 4 Cb -0.15 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.41 3mqg s ILE 4 CO 0.09 0.54 1.36 -2.28 0.00 0.00 0.00 174.94 174.65 3mqg s HIS 5 N 1.02 2.56 0.46 3.97 5.65 -0.19 -4.85 115.29 123.90 3mqg s HIS 5 Ca -0.02 1.35 0.40 0.00 0.25 0.00 0.00 55.06 57.04 3mqg s HIS 5 Cb -0.14 -3.79 2.11 0.00 -1.18 0.00 0.00 32.58 29.58 3mqg s HIS 5 CO -0.07 -2.58 2.23 -1.35 -0.65 0.00 0.00 174.74 172.32 3mqg h PRO 6 N 2.23 0.00 0.00 2.88 0.11 -1.93 -1.09 132.00 134.20 3mqg h PRO 6 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mqg h PRO 6 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mqg h PRO 6 CO 0.61 0.00 -0.33 0.25 -0.21 0.00 0.00 178.00 178.32 3mqg n THR 7 N -2.99 0.07 -1.94 -1.15 -2.24 -1.26 -4.86 114.28 99.91 3mqg n THR 7 Ca -0.02 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 3mqg n THR 7 Cb 0.11 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.02 2.63 -0.28 6.98 0.00 -0.41 -3.86 121.76 123.80 3mqg s ALA 8 Ca 0.11 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3mqg s ALA 8 Cb 0.17 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 20.10 3mqg s ALA 8 CO 0.64 -0.99 -0.01 0.42 0.00 0.00 0.00 175.76 175.82 3mqg s ILE 9 N -2.36 1.68 -0.33 0.00 1.01 0.20 -4.93 121.20 116.47 3mqg s ILE 9 Ca 0.65 -1.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 3mqg s ILE 9 Cb -0.18 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.26 3mqg s ILE 9 CO 0.38 -0.31 0.12 -0.69 0.00 0.00 0.00 174.94 174.44 3mqg s VAL 10 N 1.28 4.07 0.49 2.92 1.01 -1.26 -1.40 120.40 127.50 3mqg s VAL 10 Ca 0.01 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3mqg s VAL 10 Cb -0.19 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 3mqg s VAL 10 CO -0.10 -0.06 1.10 -1.81 0.00 0.00 0.00 175.10 174.23 3mqg s ASP 11 N 1.49 6.13 0.22 3.32 1.01 -0.19 -4.93 116.67 123.72 3mqg s ASP 11 Ca 0.01 2.11 -0.32 0.00 0.71 0.00 0.00 52.55 55.06 3mqg s ASP 11 Cb -0.18 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 3mqg s ASP 11 CO 0.04 -0.93 1.45 1.21 0.21 0.00 0.00 175.17 177.15 3mqg n GLU 12 N -0.88 2.06 0.00 8.23 2.13 -1.26 -1.80 120.64 129.12 3mqg n GLU 12 Ca 0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3mqg n GLU 12 Cb 0.51 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.79 3mqg n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mqg n GLY 13 N 2.46 2.34 3.77 8.31 0.00 -1.26 -4.42 105.19 116.39 3mqg n GLY 13 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.36 3.17 -0.20 4.61 0.00 -0.75 -4.71 121.76 121.52 3mqg s ALA 14 Ca 0.00 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 3mqg s ALA 14 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3mqg s ALA 14 CO 0.00 -0.66 -0.04 1.03 0.00 0.00 0.00 175.76 176.09 3mqg s ARG 15 N -2.31 3.46 -0.08 0.00 0.52 -0.36 -5.01 118.95 115.16 3mqg s ARG 15 Ca 0.58 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 3mqg s ARG 15 Cb -0.33 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.17 3mqg s ARG 15 CO 0.42 -0.08 -0.06 0.42 0.02 0.00 0.00 175.30 176.02 3mqg s ILE 16 N 1.19 0.78 0.84 1.52 1.01 -1.25 -0.41 121.20 124.87 3mqg s ILE 16 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3mqg s ILE 16 Cb -0.14 -0.81 0.09 0.00 0.01 0.00 0.00 42.46 41.61 3mqg s ILE 16 CO -0.01 0.31 1.13 -0.83 0.00 0.00 0.00 174.94 175.54 3mqg s GLY 17 N 1.40 1.60 0.61 6.18 0.00 -0.15 -4.26 107.32 112.69 3mqg s GLY 17 Ca -0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 3mqg s GLY 17 CO -0.03 0.05 1.29 0.00 0.00 0.00 0.00 173.10 174.40 3mqg s ALA 18 N -3.31 2.51 0.00 3.20 0.00 -1.26 -2.74 121.76 120.15 3mqg s ALA 18 Ca 0.62 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3mqg s ALA 18 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3mqg s ALA 18 CO 0.53 -1.46 0.00 0.72 0.00 0.00 0.00 175.76 175.54 3mqg n HIS 19 N -1.65 0.00 -2.20 0.00 8.25 -1.26 -0.83 115.22 117.53 3mqg n HIS 19 Ca 0.14 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.28 3mqg n HIS 19 Cb 0.48 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.33 6.18 -0.06 0.41 0.01 -1.11 -4.04 113.70 112.75 3mqg s SER 20 Ca 0.00 1.69 0.01 0.00 1.31 0.00 0.00 55.95 58.96 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 -0.89 -0.06 -0.13 0.41 0.00 0.00 173.24 172.57 3mqg s ARG 21 N -4.11 1.07 -0.20 12.44 0.52 -0.33 -0.44 118.95 127.90 3mqg s ARG 21 Ca 0.61 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.65 3mqg s ARG 21 Cb -0.13 -1.09 0.01 0.00 0.52 0.00 0.00 34.95 34.26 3mqg s ARG 21 CO 0.35 -0.12 -0.12 0.42 0.02 0.00 0.00 175.30 175.84 3mqg s ILE 22 N 1.15 2.69 0.00 1.52 -1.09 0.03 -0.88 121.20 124.63 3mqg s ILE 22 Ca -0.07 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3mqg s ILE 22 Cb -0.14 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 3mqg s ILE 22 CO -0.01 0.47 0.00 0.79 -1.23 0.00 0.00 174.94 174.96 3mqg n TRP 23 N 4.70 -0.86 -2.02 3.97 7.02 -0.39 -1.03 117.44 128.83 3mqg n TRP 23 Ca -0.19 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.87 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 -1.01 -2.02 0.00 0.00 177.69 174.66 3mqg s HIS 24 N 1.02 3.02 -1.50 -5.99 3.76 -1.26 -3.57 115.29 110.77 3mqg s HIS 24 Ca 0.00 1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 55.86 3mqg s HIS 24 Cb 0.00 -3.81 0.07 0.00 1.11 0.00 0.00 32.58 29.95 3mqg s HIS 24 CO 0.00 -2.59 0.94 0.91 -0.85 0.00 0.00 174.74 173.15 3mqg n TRP 25 N 2.20 -2.25 -3.36 1.40 8.01 -1.25 -1.69 117.44 120.50 3mqg n TRP 25 Ca 0.06 0.90 -0.38 0.00 -1.31 0.00 0.00 57.50 56.77 3mqg n TRP 25 Cb 0.40 -4.06 -0.06 0.00 -2.01 0.00 0.00 31.31 25.59 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 -3.37 4.84 -0.16 -0.99 1.01 -1.23 -3.15 120.40 117.36 3mqg s VAL 26 Ca 0.56 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3mqg s VAL 26 Cb -0.28 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3mqg s VAL 26 CO 0.83 0.54 -0.17 -2.28 0.00 0.00 0.00 175.10 174.01 3mqg s HIS 27 N -1.13 2.76 -0.15 5.22 2.46 -0.71 -0.62 115.29 123.12 3mqg s HIS 27 Ca 0.28 -1.21 0.01 0.00 0.47 0.00 0.00 55.06 54.61 3mqg s HIS 27 Cb -0.18 -1.88 -0.00 0.00 -0.13 0.00 0.00 32.58 30.38 3mqg s HIS 27 CO 0.17 -0.56 -0.16 0.42 -2.47 0.00 0.00 174.74 172.14 3mqg s ILE 28 N 0.91 2.63 0.69 0.89 1.01 -0.50 -1.27 121.20 125.56 3mqg s ILE 28 Ca -0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 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 -0.02 0.52 1.06 0.00 0.00 0.00 0.00 174.94 176.50 3mqg h GLY 30 N -0.66 0.00 1.60 0.00 0.00 -1.77 -2.59 103.07 99.65 3mqg h GLY 30 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mqg h GLY 30 CO 0.59 0.00 -0.21 0.61 0.00 0.00 0.00 176.54 177.54 3mqg n GLY 31 N 0.64 -1.41 3.76 4.60 0.00 -1.26 -1.82 105.19 109.70 3mqg n GLY 31 Ca 0.04 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 2.92 -0.12 4.61 0.00 -0.97 -4.65 121.76 120.54 3mqg s ALA 32 Ca 0.13 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3mqg s ALA 32 Cb 0.18 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3mqg s ALA 32 CO 0.60 -1.09 -0.13 -2.00 0.00 0.00 0.00 175.76 173.14 3mqg s GLU 33 N -2.76 2.04 -0.05 0.00 2.12 -0.92 -1.23 118.70 117.90 3mqg s GLU 33 Ca 0.67 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.57 3mqg s GLU 33 Cb -0.37 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.16 3mqg s GLU 33 CO 0.44 -0.18 -0.15 0.42 -0.54 0.00 0.00 175.26 175.25 3mqg s ILE 34 N 1.37 1.27 0.00 -3.70 1.01 0.46 -0.43 121.20 121.17 3mqg s ILE 34 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3mqg s ILE 34 Cb -0.13 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3mqg s ILE 34 CO -0.07 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3mqg n GLY 35 N 3.33 0.10 3.86 6.18 0.00 -0.16 -0.98 105.19 117.52 3mqg n GLY 35 Ca -0.19 -1.62 -0.33 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 0.38 3.85 -1.17 1.61 2.02 -1.26 -2.22 118.70 121.91 3mqg s GLU 36 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.32 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 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.09 3mqg n GLY 37 N 0.28 0.85 3.91 -1.39 0.00 -0.01 -0.17 105.19 108.66 3mqg n GLY 37 Ca -0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.29 1.25 -0.22 0.00 0.15 -0.54 -1.19 113.70 108.85 3mqg s SER 39 Ca 0.54 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.11 3mqg s SER 39 Cb -0.11 -0.39 0.03 0.00 -1.71 0.00 0.00 66.02 63.84 3mqg s SER 39 CO 0.46 -0.15 -0.12 -0.76 1.20 0.00 0.00 173.24 173.87 3mqg s LEU 40 N 1.61 2.82 0.00 3.45 1.02 -0.06 -0.55 118.68 126.98 3mqg s LEU 40 Ca -0.01 -0.84 -0.10 0.00 0.02 0.00 0.00 54.13 53.20 3mqg s LEU 40 Cb -0.13 -1.58 0.14 0.00 0.02 0.00 0.00 46.19 44.64 3mqg s LEU 40 CO -0.03 -0.08 0.82 0.61 0.02 0.00 0.00 176.35 177.69 3mqg n GLY 41 N 4.62 -1.20 3.62 -3.19 0.00 0.06 -1.26 105.19 107.83 3mqg n GLY 41 Ca -0.18 -1.72 -0.48 0.00 0.00 0.00 0.00 46.02 43.64 3mqg n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mqg n GLN 42 N -2.73 1.52 -1.44 1.61 7.27 -1.26 -2.12 117.38 120.23 3mqg n GLN 42 Ca 0.10 0.54 -0.15 0.00 0.07 0.00 0.00 57.00 57.57 3mqg n GLN 42 Cb 0.37 -2.15 -0.07 0.00 2.41 0.00 0.00 30.24 30.80 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 2.36 -5.31 -4.74 1.69 5.15 -0.68 -1.31 115.26 112.42 3mqg n ASN 43 Ca 0.15 0.38 -0.38 0.00 -0.60 0.00 0.00 54.58 54.13 3mqg n ASN 43 Cb 0.26 -4.15 0.05 0.00 -0.53 0.00 0.00 39.78 35.41 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 -2.41 2.03 -0.03 3.44 1.01 -0.90 -4.30 120.40 119.24 3mqg s VAL 44 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3mqg s VAL 44 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3mqg s VAL 44 CO 0.00 -0.00 -0.22 0.12 0.00 0.00 0.00 175.10 175.00 3mqg s PHE 45 N -1.33 2.06 -0.11 5.22 5.36 -0.81 -1.74 117.98 126.63 3mqg s PHE 45 Ca 0.77 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3mqg s PHE 45 Cb -0.40 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 3mqg s PHE 45 CO 0.45 -0.11 -0.09 0.08 -1.46 0.00 0.00 175.22 174.09 3mqg s VAL 46 N -0.31 1.09 0.66 3.12 1.01 -0.40 -0.07 120.40 125.49 3mqg s VAL 46 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3mqg s VAL 46 Cb -0.11 -1.08 0.15 0.00 0.00 0.00 0.00 36.38 35.35 3mqg s VAL 46 CO 0.01 0.37 0.80 0.61 0.00 0.00 0.00 175.10 176.89 3mqg n GLY 47 N 4.74 -1.71 0.13 4.51 0.00 -0.08 -0.83 105.19 111.95 3mqg n GLY 47 Ca -0.15 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.36 0.49 -1.61 1.61 2.35 -1.89 -3.34 115.58 111.83 3mqg h ASN 48 Ca -0.27 -0.84 -0.76 0.00 -0.55 0.00 0.00 56.30 53.88 3mqg h ASN 48 Cb 0.76 -0.15 -0.17 0.00 0.05 0.00 0.00 38.32 38.80 3mqg h ASN 48 CO 0.19 1.28 1.88 -1.14 -1.65 0.00 0.00 177.43 177.99 3mqg n ARG 49 N -4.19 4.26 -3.95 0.81 0.63 -1.26 -2.92 116.66 110.04 3mqg n ARG 49 Ca -0.12 -3.77 -0.16 0.00 -0.92 0.00 0.00 57.85 52.88 3mqg n ARG 49 Cb 0.73 -2.72 -0.16 0.00 0.45 0.00 0.00 32.46 30.76 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 -1.07 0.18 -0.10 5.15 1.01 -1.26 -0.63 120.40 123.68 3mqg s VAL 50 Ca 0.43 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3mqg s VAL 50 Cb 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.27 3mqg s VAL 50 CO -0.03 0.12 -0.15 -0.13 0.00 0.00 0.00 175.10 174.91 3mqg s ARG 51 N 0.77 2.19 -0.11 2.72 0.52 -1.23 -2.16 118.95 121.66 3mqg s ARG 51 Ca -0.08 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 3mqg s ARG 51 Cb -0.11 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.53 3mqg s ARG 51 CO -0.01 -0.02 -0.23 0.42 0.02 0.00 0.00 175.30 175.48 3mqg s ILE 52 N 0.87 2.01 0.00 1.52 1.01 0.43 -1.11 121.20 125.92 3mqg s ILE 52 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3mqg s ILE 52 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3mqg s ILE 52 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3mqg n GLY 53 N 3.68 -0.52 3.87 6.18 0.00 0.36 -0.98 105.19 117.77 3mqg n GLY 53 Ca -0.19 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.23 6.66 -1.55 1.61 0.01 -1.26 -2.03 114.94 117.15 3mqg s ASN 54 Ca 0.00 0.82 -0.05 0.00 -0.71 0.00 0.00 52.86 52.92 3mqg s ASN 54 Cb 0.00 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.48 3mqg s ASN 54 CO 0.00 0.15 0.62 0.54 -1.51 0.00 0.00 177.10 176.90 3mqg n ARG 55 N 0.83 -4.92 -3.10 -0.60 1.74 0.76 -0.91 116.66 110.46 3mqg n ARG 55 Ca -0.07 0.89 -0.39 0.00 -0.77 0.00 0.00 57.85 57.51 3mqg n ARG 55 Cb 0.52 -5.76 -0.05 0.00 -1.02 0.00 0.00 32.46 26.15 3mqg n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqg s VAL 56 N -3.18 5.07 -0.29 1.55 1.01 -1.26 -3.68 120.40 119.62 3mqg s VAL 56 Ca 0.31 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 3mqg s VAL 56 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3mqg s VAL 56 CO 0.39 0.26 0.10 -0.75 0.00 0.00 0.00 175.10 175.10 3mqg s LYS 57 N 0.79 3.33 -0.27 2.72 2.47 -0.56 -1.47 119.74 126.75 3mqg s LYS 57 Ca 0.35 -0.70 0.01 0.00 -1.56 0.00 0.00 55.97 54.06 3mqg s LYS 57 Cb -0.17 -3.42 0.05 0.00 -1.46 0.00 0.00 37.83 32.82 3mqg s LYS 57 CO 0.17 -0.36 -0.07 0.42 0.16 0.00 0.00 175.35 175.66 3mqg s ILE 58 N 1.57 2.53 0.91 5.43 1.01 0.29 -0.22 121.20 132.72 3mqg s ILE 58 Ca 0.04 -1.43 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 3mqg s ILE 58 Cb -0.17 -2.42 0.21 0.00 0.01 0.00 0.00 42.46 40.09 3mqg s ILE 58 CO 0.04 0.01 1.23 0.00 0.00 0.00 0.00 174.94 176.22 3mqg n GLN 59 N 4.54 -1.23 -1.66 2.79 1.13 -0.10 -0.76 117.38 122.09 3mqg n GLN 59 Ca -0.14 -1.90 -0.42 0.00 -1.94 0.00 0.00 57.00 52.60 3mqg n GLN 59 Cb 0.44 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.52 3mqg n GLN 59 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3mqg n ASN 60 N -3.81 2.10 -0.74 1.08 3.02 -1.26 -3.44 115.26 112.22 3mqg n ASN 60 Ca 0.15 1.13 -0.08 0.00 -0.03 0.00 0.00 54.58 55.76 3mqg n ASN 60 Cb 0.53 -1.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.26 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 0.61 -3.32 -4.68 6.41 3.02 -0.43 -0.49 115.26 116.39 3mqg n ASN 61 Ca 0.07 0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 3mqg n ASN 61 Cb 0.37 -2.11 -0.09 0.00 -0.61 0.00 0.00 39.78 37.35 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 -2.34 5.26 -0.36 2.41 1.01 -1.22 -4.30 120.40 120.86 3mqg s VAL 62 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3mqg s VAL 62 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.98 3mqg s VAL 62 CO 0.00 0.40 0.18 -0.44 0.00 0.00 0.00 175.10 175.24 3mqg s SER 63 N 0.69 5.64 -0.86 3.32 0.01 -1.26 -1.92 113.70 119.32 3mqg s SER 63 Ca 0.07 -0.90 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 3mqg s SER 63 Cb -0.12 -2.00 0.16 0.00 0.21 0.00 0.00 66.02 64.26 3mqg s SER 63 CO 0.01 -0.33 0.97 -0.69 0.41 0.00 0.00 173.24 173.60 3mqg s VAL 64 N 1.55 5.03 0.79 3.43 1.01 0.90 -4.19 120.40 128.91 3mqg s VAL 64 Ca 0.02 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.08 3mqg s VAL 64 Cb -0.19 -4.65 0.06 0.00 0.00 0.00 0.00 36.38 31.61 3mqg s VAL 64 CO 0.06 -1.31 1.10 -0.31 0.00 0.00 0.00 175.10 174.64 3mqg s TYR 65 N 1.85 2.90 0.18 5.22 2.02 -1.26 -0.90 117.35 127.35 3mqg s TYR 65 Ca 0.26 1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 57.78 3mqg s TYR 65 Cb -0.08 -3.13 -0.17 0.00 -0.40 0.00 0.00 41.96 38.18 3mqg s TYR 65 CO -0.08 -1.70 0.67 -0.25 -1.57 0.00 0.00 175.55 172.63 3mqg n ASP 66 N -3.37 -0.70 0.00 2.29 8.00 -1.26 -2.34 116.55 119.16 3mqg n ASP 66 Ca 0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3mqg n ASP 66 Cb 0.57 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 1.86 -3.00 -4.70 -2.24 4.13 0.20 -4.71 115.26 106.81 3mqg n ASN 67 Ca 0.17 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.08 3mqg n ASN 67 Cb 0.23 -0.50 -0.09 0.00 -1.54 0.00 0.00 39.78 37.89 3mqg n ASN 67 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mqg s VAL 68 N -2.00 5.22 -0.12 2.41 1.01 -0.99 -1.29 120.40 124.65 3mqg s VAL 68 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3mqg s VAL 68 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3mqg s VAL 68 CO 0.00 0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 175.04 3mqg s PHE 69 N 0.43 1.91 -0.22 5.22 0.08 -0.22 -3.49 117.98 121.69 3mqg s PHE 69 Ca 0.07 -0.95 -0.02 0.00 0.12 0.00 0.00 56.93 56.14 3mqg s PHE 69 Cb -0.12 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 3mqg s PHE 69 CO -0.01 -0.53 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.98 3mqg s LEU 70 N 1.24 2.75 1.17 -0.37 1.43 -0.27 -0.92 118.68 123.71 3mqg s LEU 70 Ca -0.02 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 3mqg s LEU 70 Cb -0.14 -1.64 0.28 0.00 0.03 0.00 0.00 46.19 44.72 3mqg s LEU 70 CO -0.05 -0.04 1.19 -1.61 0.23 0.00 0.00 176.35 176.06 3mqg s GLU 71 N 1.39 -0.99 0.58 1.70 2.02 -0.09 -0.49 118.70 122.81 3mqg s GLU 71 Ca 0.04 -0.30 -0.20 0.00 0.02 0.00 0.00 54.97 54.53 3mqg s GLU 71 Cb -0.14 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 3mqg s GLU 71 CO -0.06 -3.52 1.30 -0.51 0.02 0.00 0.00 175.26 172.49 3mqg s ASP 72 N -4.30 5.13 -1.44 -0.19 1.01 -1.26 -3.35 116.67 112.27 3mqg s ASP 72 Ca 0.74 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.63 3mqg s ASP 72 Cb -0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3mqg s ASP 72 CO 0.55 -1.65 0.00 0.47 0.21 0.00 0.00 175.17 174.75 3mqg n ASP 73 N -1.33 -4.63 -4.77 0.27 8.00 -0.09 -1.60 116.55 112.41 3mqg n ASP 73 Ca 0.12 0.27 -0.39 0.00 0.71 0.00 0.00 54.79 55.51 3mqg n ASP 73 Cb 0.47 -3.47 -0.05 0.00 -0.02 0.00 0.00 41.12 38.05 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 -2.57 3.91 -0.20 2.53 1.01 -1.21 -3.33 120.40 120.55 3mqg s VAL 74 Ca 0.00 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 3mqg s VAL 74 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3mqg s VAL 74 CO 0.00 0.29 -0.12 0.12 0.00 0.00 0.00 175.10 175.40 3mqg s PHE 75 N -1.37 2.86 -0.32 5.22 5.36 -0.36 -1.50 117.98 127.88 3mqg s PHE 75 Ca 0.47 -1.22 -0.06 0.00 -0.96 0.00 0.00 56.93 55.15 3mqg s PHE 75 Cb -0.25 -2.00 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 3mqg s PHE 75 CO 0.31 -0.64 0.09 0.00 -1.46 0.00 0.00 175.22 173.52 3mqg s GLY 77 N 1.43 1.59 0.01 0.00 0.00 0.10 -0.92 107.32 109.52 3mqg s GLY 77 Ca -0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 44.72 43.75 3mqg s GLY 77 CO 0.02 0.05 1.63 -1.05 0.00 0.00 0.00 173.10 173.75 3mqg n PRO 78 N -4.10 1.78 -2.19 2.90 -0.02 -1.26 -1.87 135.00 130.24 3mqg n PRO 78 Ca 0.08 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 62.02 3mqg n PRO 78 Cb 0.59 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 4.39 -5.21 -4.79 2.55 7.64 0.35 -0.82 113.62 117.73 3mqg n SER 79 Ca 0.20 0.15 -0.31 0.00 1.01 0.00 0.00 58.87 59.93 3mqg n SER 79 Cb 0.24 -4.43 0.08 0.00 -1.01 0.00 0.00 64.21 59.09 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 -4.66 2.43 -0.09 1.43 0.23 -0.78 -3.83 119.30 114.03 3mqg s MET 80 Ca 0.00 0.93 -0.00 0.00 -1.03 0.00 0.00 55.69 55.58 3mqg s MET 80 Cb 0.00 -1.94 0.02 0.00 -1.53 0.00 0.00 34.83 31.39 3mqg s MET 80 CO 0.00 -1.45 -0.05 0.08 -2.03 0.00 0.00 175.02 171.57 3mqg s VAL 81 N -3.02 0.76 0.39 5.16 1.01 0.10 -4.39 120.40 120.40 3mqg s VAL 81 Ca 0.60 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3mqg s VAL 81 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3mqg s VAL 81 CO 0.55 0.32 0.57 -0.36 0.00 0.00 0.00 175.10 176.18 3mqg s PHE 82 N 1.63 3.22 0.07 5.22 0.08 -1.26 -1.07 117.98 125.87 3mqg s PHE 82 Ca 0.02 0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.12 3mqg s PHE 82 Cb -0.13 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3mqg s PHE 82 CO -0.05 -0.14 0.01 0.95 -0.10 0.00 0.00 175.22 175.89 3mqg s THR 83 N -2.36 0.18 0.00 0.64 -4.23 -1.21 -4.89 115.64 103.78 3mqg s THR 83 Ca 0.45 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3mqg s THR 83 Cb -0.10 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.10 3mqg s THR 83 CO 0.35 -0.84 0.02 -0.46 -0.54 0.00 0.00 174.62 173.15 3mqg n ASN 84 N 0.05 0.04 -4.27 3.99 0.23 -1.26 -4.24 115.26 109.79 3mqg n ASN 84 Ca -0.12 -0.27 -0.33 0.00 -0.53 0.00 0.00 54.58 53.34 3mqg n ASN 84 Cb 0.62 0.29 -0.15 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.29 2.62 0.07 3.53 1.01 -1.26 -1.56 120.40 124.52 3mqg s VAL 85 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3mqg s VAL 85 Cb 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.15 3mqg s VAL 85 CO 0.00 0.52 1.31 0.22 0.00 0.00 0.00 175.10 177.15 3mqg h TYR 86 N 7.10 0.77 -2.08 5.22 5.03 -1.91 -3.39 116.97 127.71 3mqg h TYR 86 Ca -0.29 -0.29 -0.52 0.00 2.58 0.00 0.00 58.73 60.20 3mqg h TYR 86 Cb 1.20 -0.14 -0.40 0.00 1.55 0.00 0.00 36.73 38.94 3mqg h TYR 86 CO 0.50 1.06 -1.02 0.27 -1.32 0.00 0.00 178.16 177.65 3mqg n ASN 87 N -4.24 1.84 -4.77 -2.11 6.94 -1.26 -5.02 115.26 106.64 3mqg n ASN 87 Ca -0.06 -3.17 -0.40 0.00 -0.02 0.00 0.00 54.58 50.92 3mqg n ASN 87 Cb 0.55 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 3mqg n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3mqg s PRO 88 N -2.56 4.14 -0.03 -0.53 0.04 -1.26 -5.03 135.00 129.78 3mqg s PRO 88 Ca 0.42 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.80 3mqg s PRO 88 Cb 0.30 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.93 3mqg s PRO 88 CO -0.10 -0.41 -0.00 1.03 0.04 0.00 0.00 177.00 177.56 3mqg s ARG 89 N -2.04 0.32 0.48 4.56 1.81 -1.26 -5.05 118.95 117.77 3mqg s ARG 89 Ca 0.53 0.06 0.14 0.00 -1.72 0.00 0.00 55.73 54.73 3mqg s ARG 89 Cb -0.42 -0.48 1.11 0.00 -0.45 0.00 0.00 34.95 34.71 3mqg s ARG 89 CO 0.56 -0.12 2.08 0.00 -0.68 0.00 0.00 175.30 177.14 3mqg h ALA 90 N 7.18 1.85 0.00 2.13 0.00 -2.04 -1.76 119.26 126.62 3mqg h ALA 90 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mqg h ALA 90 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mqg h ALA 90 CO 0.48 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3mqg n ALA 91 N -2.52 2.09 -3.98 0.00 0.00 -1.26 -4.71 120.51 110.14 3mqg n ALA 91 Ca -0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 3mqg n ALA 91 Cb 0.13 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.04 1.67 0.08 0.00 1.01 -0.66 -5.10 121.20 115.15 3mqg s ILE 92 Ca 0.11 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 3mqg s ILE 92 Cb 0.15 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.71 3mqg s ILE 92 CO 0.46 0.01 1.22 -1.61 0.00 0.00 0.00 174.94 175.02 3mqg s GLU 93 N 1.35 4.43 -0.14 2.79 2.02 -1.26 -4.51 118.70 123.37 3mqg s GLU 93 Ca -0.05 1.81 0.15 0.00 0.02 0.00 0.00 54.97 56.90 3mqg s GLU 93 Cb -0.18 -3.33 0.37 0.00 0.10 0.00 0.00 34.13 31.10 3mqg s GLU 93 CO -0.07 -0.26 1.18 0.54 0.02 0.00 0.00 175.26 176.68 3mqg n ARG 94 N 3.79 1.12 -0.27 1.61 1.74 -1.26 -4.72 116.66 118.67 3mqg n ARG 94 Ca 0.09 -2.78 0.08 0.00 -0.77 0.00 0.00 57.85 54.46 3mqg n ARG 94 Cb 0.46 -1.21 0.21 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.76 0.18 0.00 5.56 1.57 -1.98 -0.02 116.57 122.65 3mqg h LYS 95 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3mqg h LYS 95 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3mqg h LYS 95 CO 0.02 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.89 3mqg n SER 96 N -5.25 0.00 -0.43 0.86 3.41 -1.26 -2.69 113.62 108.27 3mqg n SER 96 Ca 0.16 0.12 0.06 0.00 -0.26 0.00 0.00 58.87 58.95 3mqg n SER 96 Cb 0.53 -0.34 0.13 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.34 2.64 -1.64 4.33 1.02 -0.03 -5.03 120.64 120.59 3mqg n GLU 97 Ca 0.08 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.63 3mqg n GLU 97 Cb 0.17 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.33 1.54 -4.76 -0.32 4.01 -1.09 -4.81 117.16 111.40 3mqg n TYR 98 Ca 0.11 0.57 -0.33 0.00 -0.16 0.00 0.00 57.90 58.09 3mqg n TYR 98 Cb 0.52 -2.29 -0.12 0.00 -0.31 0.00 0.00 39.34 37.14 3mqg n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3mqg s ARG 99 N -1.95 2.72 0.44 -0.72 0.52 -0.60 -5.04 118.95 114.32 3mqg s ARG 99 Ca 0.61 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 3mqg s ARG 99 Cb -0.57 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 3mqg s ARG 99 CO 0.58 0.59 1.02 -0.51 0.02 0.00 0.00 175.30 177.01 3mqg s ASP 100 N -0.63 6.61 -0.16 0.23 1.01 -1.26 -4.22 116.67 118.25 3mqg s ASP 100 Ca 0.09 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.29 3mqg s ASP 100 Cb -0.11 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.27 3mqg s ASP 100 CO 0.01 -0.59 -0.19 -0.89 0.21 0.00 0.00 175.17 173.72 3mqg s THR 101 N -1.89 1.91 -0.18 -1.27 2.01 -0.41 -1.02 115.64 114.78 3mqg s THR 101 Ca 0.63 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3mqg s THR 101 Cb -0.17 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.61 3mqg s THR 101 CO 0.21 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.90 3mqg s ILE 102 N 1.25 2.69 -0.26 1.82 1.01 -1.04 -1.06 121.20 125.61 3mqg s ILE 102 Ca 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 3mqg s ILE 102 Cb -0.13 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3mqg s ILE 102 CO -0.10 0.49 0.02 -0.69 0.00 0.00 0.00 174.94 174.66 3mqg s VAL 103 N 1.18 3.65 0.68 2.92 1.01 -0.10 -1.04 120.40 128.69 3mqg s VAL 103 Ca 0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 3mqg s VAL 103 Cb -0.14 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.47 3mqg s VAL 103 CO -0.05 0.23 1.02 -0.13 0.00 0.00 0.00 175.10 176.16 3mqg s ARG 104 N 1.48 2.63 0.22 2.72 1.81 0.23 -0.91 118.95 127.12 3mqg s ARG 104 Ca 0.03 0.10 -0.32 0.00 -1.72 0.00 0.00 55.73 53.82 3mqg s ARG 104 Cb -0.16 -2.13 -0.14 0.00 -0.45 0.00 0.00 34.95 32.06 3mqg s ARG 104 CO -0.00 -1.03 1.33 0.94 -0.68 0.00 0.00 175.30 175.86 3mqg n GLN 105 N -2.87 1.74 -0.67 3.54 7.27 -1.26 -1.94 117.38 123.18 3mqg n GLN 105 Ca 0.06 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.75 3mqg n GLN 105 Cb 0.58 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 31.01 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 2.13 1.32 3.76 1.69 0.00 -0.63 -0.95 105.19 112.51 3mqg n GLY 106 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.33 2.75 -0.14 4.61 0.00 -0.82 -3.99 121.76 120.85 3mqg s ALA 107 Ca 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 3mqg s ALA 107 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3mqg s ALA 107 CO 0.00 -1.08 -0.13 0.99 0.00 0.00 0.00 175.76 175.54 3mqg s THR 108 N -1.49 3.00 -0.36 0.00 2.01 -0.29 -1.23 115.64 117.28 3mqg s THR 108 Ca 0.72 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3mqg s THR 108 Cb -0.33 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 69.98 3mqg s THR 108 CO 0.38 0.52 0.14 -0.76 -0.69 0.00 0.00 174.62 174.21 3mqg s LEU 109 N 0.46 4.60 0.93 4.42 1.43 0.45 -0.44 118.68 130.53 3mqg s LEU 109 Ca -0.10 -1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 51.49 3mqg s LEU 109 Cb -0.16 -1.86 0.15 0.00 0.03 0.00 0.00 46.19 44.35 3mqg s LEU 109 CO 0.05 -0.40 1.10 -0.83 0.23 0.00 0.00 176.35 176.49 3mqg s GLY 110 N 1.62 1.64 0.10 -3.19 0.00 0.65 0.01 107.32 108.14 3mqg s GLY 110 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 44.72 44.56 3mqg s GLY 110 CO 0.01 0.67 1.48 0.00 0.00 0.00 0.00 173.10 175.26 3mqg n ALA 111 N -4.11 0.13 -1.42 3.20 0.00 -1.26 -1.58 120.51 115.47 3mqg n ALA 111 Ca 0.08 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.85 3mqg n ALA 111 Cb 0.54 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 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 3.18 -4.86 -4.73 0.00 5.15 -0.00 -0.71 115.26 113.29 3mqg n ASN 112 Ca 0.18 0.36 -0.29 0.00 -0.60 0.00 0.00 54.58 54.23 3mqg n ASN 112 Cb 0.23 -3.64 0.13 0.00 -0.53 0.00 0.00 39.78 35.97 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 -3.39 0.25 -0.19 0.00 2.01 -0.13 -0.72 115.64 113.47 3mqg s THR 114 Ca 0.64 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.57 3mqg s THR 114 Cb -0.13 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.15 3mqg s THR 114 CO 0.52 0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.68 3mqg s VAL 115 N 0.27 2.17 0.09 3.82 1.01 -0.24 -0.37 120.40 127.15 3mqg s VAL 115 Ca -0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3mqg s VAL 115 Cb -0.05 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 3mqg s VAL 115 CO -0.01 0.47 1.18 -0.69 0.00 0.00 0.00 175.10 176.06 3mqg s VAL 116 N 1.29 3.99 0.50 2.92 1.01 0.26 -3.32 120.40 127.05 3mqg s VAL 116 Ca 0.04 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 3mqg s VAL 116 Cb -0.14 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3mqg s VAL 116 CO -0.12 0.15 1.10 0.00 0.00 0.00 0.00 175.10 176.23 3mqg n GLY 118 N 1.08 2.93 3.80 0.00 0.00 -0.19 -4.91 105.19 107.91 3mqg n GLY 118 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.60 3.03 -0.13 4.61 0.00 -1.17 -4.87 121.76 120.62 3mqg s ALA 119 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 3mqg s ALA 119 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3mqg s ALA 119 CO 0.00 -0.04 -0.07 0.99 0.00 0.00 0.00 175.76 176.64 3mqg s THR 120 N -1.95 3.62 -0.25 0.00 2.01 -1.26 -2.49 115.64 115.31 3mqg s THR 120 Ca 0.61 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 3mqg s THR 120 Cb -0.15 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 3mqg s THR 120 CO 0.19 0.52 0.09 -0.63 -0.69 0.00 0.00 174.62 174.10 3mqg s ILE 121 N 0.15 4.52 0.96 1.82 1.01 -0.20 -1.06 121.20 128.39 3mqg s ILE 121 Ca -0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 3mqg s ILE 121 Cb -0.14 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 39.38 3mqg s ILE 121 CO 0.03 0.33 1.10 -0.83 0.00 0.00 0.00 174.94 175.57 3mqg s GLY 122 N 1.58 1.58 0.20 6.18 0.00 0.84 -0.60 107.32 117.09 3mqg s GLY 122 Ca 0.06 -0.33 -0.33 0.00 0.00 0.00 0.00 44.72 44.13 3mqg s GLY 122 CO 0.05 0.25 1.68 0.54 0.00 0.00 0.00 173.10 175.62 3mqg n ARG 123 N -4.04 2.59 -1.46 2.90 1.74 -1.26 -1.81 116.66 115.31 3mqg n ARG 123 Ca 0.06 0.93 -0.16 0.00 -0.77 0.00 0.00 57.85 57.91 3mqg n ARG 123 Cb 0.57 -2.76 -0.07 0.00 -1.02 0.00 0.00 32.46 29.18 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 3.79 -0.06 -0.56 -1.55 4.01 -0.12 -0.46 117.16 122.21 3mqg n TYR 124 Ca 0.16 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.61 3mqg n TYR 124 Cb 0.33 -3.08 0.23 0.00 -0.31 0.00 0.00 39.34 36.51 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 -2.36 0.13 -0.13 -0.72 0.00 -0.75 -3.90 121.76 114.02 3mqg s ALA 125 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 3mqg s ALA 125 Cb 0.00 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.84 3mqg s ALA 125 CO 0.00 -3.54 0.10 0.12 0.00 0.00 0.00 175.76 172.44 3mqg s PHE 126 N -2.50 0.09 -0.32 0.00 5.36 0.22 -1.14 117.98 119.69 3mqg s PHE 126 Ca 0.68 -0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.44 3mqg s PHE 126 Cb -0.25 -0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 3mqg s PHE 126 CO 0.63 -0.42 0.37 0.08 -1.46 0.00 0.00 175.22 174.42 3mqg s VAL 127 N 2.17 5.16 0.69 3.12 1.01 0.42 -1.58 120.40 131.40 3mqg s VAL 127 Ca 0.03 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 3mqg s VAL 127 Cb -0.15 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3mqg s VAL 127 CO -0.07 -0.02 1.16 0.61 0.00 0.00 0.00 175.10 176.78 3mqg n GLY 128 N 4.88 0.11 3.55 4.51 0.00 0.11 -0.25 105.19 118.11 3mqg n GLY 128 Ca -0.09 -0.26 -0.52 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.30 -1.60 -0.74 4.61 0.00 -1.26 -1.97 120.51 117.24 3mqg n ALA 129 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3mqg n ALA 129 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.07 1.41 3.75 0.00 0.00 0.11 -4.83 105.19 107.70 3mqg n GLY 130 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.63 2.24 -0.28 4.61 0.00 -0.83 -4.73 121.76 119.14 3mqg s ALA 131 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.46 3mqg s ALA 131 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3mqg s ALA 131 CO 0.00 -1.69 -0.05 0.08 0.00 0.00 0.00 175.76 174.10 3mqg s VAL 132 N -2.53 2.53 -0.18 0.00 1.01 -0.45 -0.96 120.40 119.82 3mqg s VAL 132 Ca 0.66 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 3mqg s VAL 132 Cb -0.21 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3mqg s VAL 132 CO 0.49 -0.10 0.72 -0.69 0.00 0.00 0.00 175.10 175.52 3mqg s VAL 133 N 1.16 4.96 -0.04 2.92 1.01 0.50 -0.19 120.40 130.72 3mqg s VAL 133 Ca -0.06 1.38 0.11 0.00 0.00 0.00 0.00 61.98 63.41 3mqg s VAL 133 Cb -0.20 -4.03 0.20 0.00 0.00 0.00 0.00 36.38 32.35 3mqg s VAL 133 CO -0.03 0.08 1.09 -0.46 0.00 0.00 0.00 175.10 175.77 3mqg n ASN 134 N 5.09 0.81 -3.74 3.32 6.94 -1.26 -0.57 115.26 125.84 3mqg n ASN 134 Ca 0.01 -2.36 -0.10 0.00 -0.02 0.00 0.00 54.58 52.11 3mqg n ASN 134 Cb 0.49 -0.30 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 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 -0.78 1.09 0.43 -3.83 -2.85 -1.26 -4.99 119.74 107.55 3mqg s LYS 135 Ca 0.18 -0.85 -0.24 0.00 -1.00 0.00 0.00 55.97 54.05 3mqg s LYS 135 Cb 0.18 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.29 3mqg s LYS 135 CO -0.05 -0.42 1.09 -0.25 0.10 0.00 0.00 175.35 175.82 3mqg n ASP 136 N -0.21 1.63 -4.38 0.03 8.00 -1.26 -4.76 116.55 115.60 3mqg n ASP 136 Ca -0.13 1.04 -0.36 0.00 0.71 0.00 0.00 54.79 56.05 3mqg n ASP 136 Cb 0.63 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.20 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 -1.26 3.91 0.78 2.53 1.01 -0.23 -4.97 120.40 122.17 3mqg s VAL 137 Ca 0.63 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3mqg s VAL 137 Cb -0.54 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.06 3mqg s VAL 137 CO 0.56 0.33 1.09 -2.65 0.00 0.00 0.00 175.10 174.44 3mqg n PRO 138 N 4.87 0.29 -1.65 2.72 -0.02 -1.26 -0.11 135.00 139.84 3mqg n PRO 138 Ca -0.17 0.17 -0.45 0.00 -2.02 0.00 0.00 63.50 61.03 3mqg n PRO 138 Cb 0.51 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3mqg n PRO 138 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mqg n ASP 139 N -2.63 2.30 0.00 2.55 8.00 -1.26 -1.42 116.55 124.09 3mqg n ASP 139 Ca 0.13 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.79 3mqg n ASP 139 Cb 0.50 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 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 1.34 0.00 -2.50 1.24 3.01 0.40 -4.46 117.46 116.49 3mqg n PHE 140 Ca 0.11 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 3mqg n PHE 140 Cb 0.31 -1.11 -0.04 0.00 -0.01 0.00 0.00 39.48 38.63 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 -1.75 3.40 -0.30 4.37 0.00 -0.51 -0.20 121.76 126.76 3mqg s ALA 141 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 3mqg s ALA 141 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3mqg s ALA 141 CO 0.00 -0.16 0.28 -1.17 0.00 0.00 0.00 175.76 174.71 3mqg s LEU 142 N -1.06 4.19 0.04 0.00 2.96 -0.30 -0.61 118.68 123.90 3mqg s LEU 142 Ca 0.46 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3mqg s LEU 142 Cb -0.31 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3mqg s LEU 142 CO 0.39 -0.18 -0.19 0.68 -1.32 0.00 0.00 176.35 175.73 3mqg s VAL 143 N 1.90 1.56 0.06 1.68 -7.23 -0.62 -0.75 120.40 117.00 3mqg s VAL 143 Ca 0.10 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 3mqg s VAL 143 Cb -0.16 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3mqg s VAL 143 CO 0.11 0.17 0.10 0.68 -0.31 0.00 0.00 175.10 175.85 3mqg s VAL 144 N -0.80 0.16 0.00 1.32 -7.23 -0.42 -0.71 120.40 112.73 3mqg s VAL 144 Ca 0.06 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3mqg s VAL 144 Cb -0.09 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3mqg s VAL 144 CO 0.02 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3mqg n GLY 145 N 0.20 1.46 3.00 2.32 0.00 -1.26 -0.76 105.19 110.15 3mqg n GLY 145 Ca -0.16 -2.05 -0.31 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 -1.86 2.05 0.81 1.61 1.01 -1.26 -1.34 120.40 121.42 3mqg s VAL 146 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 59.94 3mqg s VAL 146 Cb 0.00 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 34.08 3mqg s VAL 146 CO 0.00 -0.37 1.10 -2.16 0.00 0.00 0.00 175.10 173.67 3mqg s PRO 147 N 1.08 1.97 0.20 2.72 0.04 -1.26 -5.01 135.00 134.74 3mqg s PRO 147 Ca 0.03 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 3mqg s PRO 147 Cb -0.19 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3mqg s PRO 147 CO -0.08 -1.69 1.17 0.00 0.04 0.00 0.00 177.00 176.44 3mqg s ALA 148 N -3.16 3.42 0.05 8.56 0.00 0.74 -4.83 121.76 126.54 3mqg s ALA 148 Ca 0.61 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.56 3mqg s ALA 148 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3mqg s ALA 148 CO 0.54 -0.32 -0.17 1.03 0.00 0.00 0.00 175.76 176.84 3mqg s ARG 149 N -0.48 1.07 0.08 0.00 3.00 0.06 -4.85 118.95 117.82 3mqg s ARG 149 Ca 0.51 -0.88 -0.30 0.00 0.00 0.00 0.00 55.73 55.05 3mqg s ARG 149 Cb -0.32 -1.14 -0.05 0.00 0.00 0.00 0.00 34.95 33.43 3mqg s ARG 149 CO 0.37 0.28 1.06 -1.14 0.00 0.00 0.00 175.30 175.88 3mqg s GLN 150 N -1.32 4.56 0.00 3.54 0.74 -1.26 -1.30 119.66 124.62 3mqg s GLN 150 Ca 0.03 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.03 3mqg s GLN 150 Cb -0.09 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3mqg s GLN 150 CO 0.02 -0.02 0.04 0.44 -0.55 0.00 0.00 175.29 175.22 3mqg n ILE 151 N 3.31 0.00 -2.98 -2.34 -5.35 0.07 -4.97 119.36 107.09 3mqg n ILE 151 Ca 0.05 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3mqg n ILE 151 Cb 0.48 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 0.85 0.73 2.96 3.28 0.00 -1.18 -4.91 105.19 106.92 3mqg n GLY 152 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.01 0.64 -0.12 1.61 0.52 -1.26 -1.15 118.94 117.17 3mqg s TRP 153 Ca 0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 56.10 55.98 3mqg s TRP 153 Cb 0.00 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.83 3mqg s TRP 153 CO 0.00 -0.06 -0.11 -1.64 0.02 0.00 0.00 176.95 175.16 3mqg s MET 154 N 0.15 3.30 0.93 4.98 -1.94 0.72 -0.25 119.30 127.18 3mqg s MET 154 Ca -0.02 -0.65 -0.11 0.00 -1.71 0.00 0.00 55.69 53.20 3mqg s MET 154 Cb -0.06 -2.64 0.15 0.00 2.01 0.00 0.00 34.83 34.28 3mqg s MET 154 CO -0.00 0.29 1.09 -1.54 -0.01 0.00 0.00 175.02 174.85 3mqg s SER 155 N 0.16 3.07 0.33 3.03 1.04 -0.56 -4.69 113.70 116.08 3mqg s SER 155 Ca -0.06 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.10 3mqg s SER 155 Cb -0.15 -2.29 0.81 0.00 0.10 0.00 0.00 66.02 64.49 3mqg s SER 155 CO 0.04 -2.91 1.80 0.03 0.98 0.00 0.00 173.24 173.18 3mqg h ARG 156 N -1.74 0.68 0.00 4.02 3.08 -1.90 -0.28 114.38 118.24 3mqg h ARG 156 Ca -0.50 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 3mqg h ARG 156 Cb 1.28 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3mqg h ARG 156 CO 0.51 0.45 -0.07 1.25 -1.07 0.00 0.00 179.97 181.04 3mqg h HIS 157 N 0.70 0.00 -0.16 3.04 2.76 -1.99 -3.46 115.15 116.03 3mqg h HIS 157 Ca 0.55 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 3mqg h HIS 157 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 3mqg h HIS 157 CO -0.00 0.07 0.00 0.41 -1.30 0.00 0.00 177.93 177.11 3mqg n GLY 158 N -1.27 0.92 3.10 5.26 0.00 -0.12 -5.13 105.19 107.96 3mqg n GLY 158 Ca -0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 3mqg n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mqg s GLU 159 N -0.57 0.63 0.40 1.61 2.02 -1.26 -4.92 118.70 116.60 3mqg s GLU 159 Ca 0.00 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 53.86 3mqg s GLU 159 Cb 0.00 -0.42 -0.10 0.00 0.10 0.00 0.00 34.13 33.71 3mqg s GLU 159 CO 0.00 0.08 1.44 -0.65 0.02 0.00 0.00 175.26 176.14 3mqg s GLN 160 N -1.82 3.98 0.29 1.61 -0.21 -1.26 -1.50 119.66 120.75 3mqg s GLN 160 Ca -0.06 2.46 -0.13 0.00 0.02 0.00 0.00 55.36 57.65 3mqg s GLN 160 Cb -0.09 -2.86 -0.08 0.00 1.00 0.00 0.00 33.01 30.98 3mqg s GLN 160 CO 0.00 -0.59 0.67 -0.51 -2.12 0.00 0.00 175.29 172.74 3mqg s LEU 161 N -2.30 4.10 -1.43 2.90 1.43 0.65 -4.83 118.68 119.21 3mqg s LEU 161 Ca 0.55 1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 54.65 3mqg s LEU 161 Cb -0.44 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 41.89 3mqg s LEU 161 CO 0.59 -0.15 2.14 -0.67 0.23 0.00 0.00 176.35 178.48 3mqg n ASP 162 N -0.28 4.08 -4.10 2.29 2.03 -1.26 -4.69 116.55 114.62 3mqg n ASP 162 Ca 0.02 -2.86 -0.18 0.00 0.52 0.00 0.00 54.79 52.30 3mqg n ASP 162 Cb 0.53 -1.68 -0.13 0.00 -0.72 0.00 0.00 41.12 39.12 3mqg n ASP 162 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mqg s LEU 163 N 2.56 2.16 0.76 -2.67 1.43 -1.26 -4.70 118.68 116.97 3mqg s LEU 163 Ca 0.48 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3mqg s LEU 163 Cb 0.12 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.92 3mqg s LEU 163 CO -0.06 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.46 3mqg s PRO 164 N -1.08 2.27 0.21 1.29 0.04 -1.26 -4.88 135.00 131.59 3mqg s PRO 164 Ca -0.01 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.21 3mqg s PRO 164 Cb -0.07 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.73 3mqg s PRO 164 CO 0.01 -1.64 1.79 1.25 0.04 0.00 0.00 177.00 178.44 3mqg h LEU 165 N -0.92 1.05 -9.14 -3.56 5.85 -1.97 -3.45 115.31 103.17 3mqg h LEU 165 Ca -0.44 -0.15 -0.45 0.00 0.84 0.00 0.00 57.88 57.68 3mqg h LEU 165 Cb 1.24 -0.27 -0.14 0.00 0.37 0.00 0.00 40.66 41.86 3mqg h LEU 165 CO 0.51 0.91 -0.62 -0.13 -0.34 0.00 0.00 178.44 178.78 3mqg s ARG 166 N -5.63 1.58 0.00 1.25 0.52 -1.26 -4.91 118.95 110.50 3mqg s ARG 166 Ca -0.13 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.22 3mqg s ARG 166 Cb 0.15 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.86 3mqg s ARG 166 CO 0.83 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.37 3mqg n GLY 167 N -0.62 0.56 2.77 -3.53 0.00 -1.26 -4.90 105.19 98.21 3mqg n GLY 167 Ca -0.02 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 0.30 0.09 1.61 0.01 -1.26 -1.44 114.94 110.25 3mqg s ASN 168 Ca 0.00 0.03 -0.26 0.00 -0.71 0.00 0.00 52.86 51.92 3mqg s ASN 168 Cb 0.00 -0.12 0.09 0.00 0.41 0.00 0.00 41.25 41.63 3mqg s ASN 168 CO 0.00 -0.14 1.13 0.00 -1.51 0.00 0.00 177.10 176.59 3mqg s ALA 169 N 1.20 -1.94 0.05 0.60 0.00 -0.58 -5.00 121.76 116.08 3mqg s ALA 169 Ca -0.07 0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3mqg s ALA 169 Cb -0.13 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3mqg s ALA 169 CO -0.03 -1.08 -0.07 -1.21 0.00 0.00 0.00 175.76 173.38 3mqg s GLU 170 N -2.42 0.54 0.18 0.00 2.02 -1.26 -0.61 118.70 117.15 3mqg s GLU 170 Ca 0.20 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 3mqg s GLU 170 Cb -0.00 -0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.05 3mqg s GLU 170 CO 0.01 0.02 0.48 0.00 0.02 0.00 0.00 175.26 175.80 3mqg s ALA 171 N -1.74 -0.84 -0.03 5.21 0.00 -0.57 -4.86 121.76 118.92 3mqg s ALA 171 Ca -0.08 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.67 3mqg s ALA 171 Cb -0.08 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3mqg s ALA 171 CO -0.01 -0.77 -0.18 0.99 0.00 0.00 0.00 175.76 175.80 3mqg s THR 172 N -3.87 1.43 0.02 0.00 2.01 -1.26 -0.35 115.64 113.61 3mqg s THR 172 Ca 0.09 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 3mqg s THR 172 Cb -0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 3mqg s THR 172 CO -0.04 0.41 1.28 0.00 -0.69 0.00 0.00 174.62 175.59 3mqg h PRO 174 N 7.29 0.00 0.00 0.00 0.13 -1.95 0.18 132.00 137.64 3mqg h PRO 174 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 3mqg h PRO 174 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3mqg h PRO 174 CO 0.86 0.00 -1.06 0.45 -0.23 0.00 0.00 178.00 178.02 3mqg h HIS 175 N 0.00 0.00 0.00 1.56 3.86 -1.98 -3.39 115.15 115.20 3mqg h HIS 175 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mqg h HIS 175 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3mqg h HIS 175 CO 0.00 0.94 -0.73 0.25 0.86 0.00 0.00 177.93 179.26 3mqg n THR 176 N -3.28 0.00 -0.95 2.45 -2.24 -1.20 -5.01 114.28 104.04 3mqg n THR 176 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3mqg n THR 176 Cb 0.93 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 2.03 0.56 3.78 3.38 0.00 0.63 -5.01 105.19 110.56 3mqg n GLY 177 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mqg n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mqg s GLU 178 N -0.36 4.10 -0.13 1.61 -1.05 -1.25 -4.68 118.70 116.94 3mqg s GLU 178 Ca 0.00 1.65 -0.08 0.00 -0.15 0.00 0.00 54.97 56.40 3mqg s GLU 178 Cb 0.00 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.05 3mqg s GLU 178 CO 0.00 -0.23 0.15 1.03 0.95 0.00 0.00 175.26 177.16 3mqg s ARG 179 N -2.41 3.54 0.01 -4.83 0.52 -1.26 -1.23 118.95 113.29 3mqg s ARG 179 Ca 0.58 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.75 3mqg s ARG 179 Cb -0.26 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3mqg s ARG 179 CO 0.32 0.72 -0.25 0.71 0.02 0.00 0.00 175.30 176.83 3mqg s TYR 180 N -0.87 2.37 -0.10 -0.53 1.51 0.52 -0.97 117.35 119.29 3mqg s TYR 180 Ca 0.14 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 3mqg s TYR 180 Cb -0.12 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3mqg s TYR 180 CO 0.04 0.07 -0.20 0.42 -1.11 0.00 0.00 175.55 174.77 3mqg s ILE 181 N -0.73 1.80 -0.27 2.71 1.01 0.12 -1.52 121.20 124.32 3mqg s ILE 181 Ca 0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3mqg s ILE 181 Cb -0.10 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3mqg s ILE 181 CO 0.01 0.50 0.19 -0.22 0.00 0.00 0.00 174.94 175.42 3mqg s LEU 182 N 0.58 4.04 -0.13 2.97 2.96 0.22 -1.35 118.68 127.97 3mqg s LEU 182 Ca -0.14 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3mqg s LEU 182 Cb -0.17 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.42 3mqg s LEU 182 CO 0.05 -0.03 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.10 3mqg s THR 183 N 1.60 1.00 -1.59 3.68 2.01 -0.03 -1.53 115.64 120.79 3mqg s THR 183 Ca 0.08 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 3mqg s THR 183 Cb -0.15 -1.10 0.10 0.00 0.01 0.00 0.00 72.50 71.36 3mqg s THR 183 CO 0.09 0.25 0.75 0.47 -0.69 0.00 0.00 174.62 175.50 3mqg n ASP 184 N 4.93 -2.93 -0.35 3.53 10.43 -0.97 -1.43 116.55 129.77 3mqg n ASP 184 Ca -0.12 -0.95 -0.05 0.00 2.57 0.00 0.00 54.79 56.25 3mqg n ASP 184 Cb 0.49 -3.13 -0.02 0.00 1.84 0.00 0.00 41.12 40.30 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 -1.61 0.73 3.25 0.44 0.00 -0.52 -4.82 105.19 102.66 3mqg n GLY 185 Ca -0.03 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.09 2.65 -0.13 1.61 1.01 -0.51 -4.95 120.40 117.98 3mqg s VAL 186 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 3mqg s VAL 186 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3mqg s VAL 186 CO 0.00 0.51 0.15 0.00 0.00 0.00 0.00 175.10 175.76 3mqg s ARG 188 N -0.67 0.72 0.16 0.00 1.70 -0.46 -4.76 118.95 115.64 3mqg s ARG 188 Ca 0.14 -0.88 -0.31 0.00 -0.47 0.00 0.00 55.73 54.21 3mqg s ARG 188 Cb -0.12 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 3mqg s ARG 188 CO 0.03 -0.20 1.43 -0.51 -1.08 0.00 0.00 175.30 174.97 3mqg s LEU 189 N -2.54 4.38 0.00 -1.89 1.43 -1.26 -0.71 118.68 118.10 3mqg s LEU 189 Ca 0.01 2.46 0.09 0.00 -1.03 0.00 0.00 54.13 55.66 3mqg s LEU 189 Cb 0.03 -3.60 0.51 0.00 0.03 0.00 0.00 46.19 43.16 3mqg s LEU 189 CO -0.08 -0.68 0.97 0.00 0.23 0.00 0.00 176.35 176.78