#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqa s VAL 3 N 0.00 2.06 0.16 -0.18 1.01 -1.26 0.11 120.40 122.30 3lqa s VAL 3 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3lqa s VAL 3 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3lqa s VAL 3 CO 0.00 0.56 -0.11 0.68 0.00 0.00 0.00 175.10 176.23 3lqa s VAL 4 N 0.34 1.35 -0.02 2.92 -7.23 -0.58 -4.96 120.40 112.21 3lqa s VAL 4 Ca -0.19 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 57.95 3lqa s VAL 4 Cb -0.18 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3lqa s VAL 4 CO 0.09 -0.70 -0.26 -0.76 -0.31 0.00 0.00 175.10 173.16 3lqa s LEU 5 N -3.21 2.05 0.01 1.32 1.43 -1.26 -2.84 118.68 116.18 3lqa s LEU 5 Ca 0.19 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3lqa s LEU 5 Cb 0.02 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 3lqa s LEU 5 CO 0.02 0.32 -0.14 -0.83 0.23 0.00 0.00 176.35 175.95 3lqa s GLY 6 N -0.62 0.74 0.52 -3.19 0.00 -0.64 -4.97 107.32 99.15 3lqa s GLY 6 Ca 0.10 -0.71 -0.20 0.00 0.00 0.00 0.00 44.72 43.91 3lqa s GLY 6 CO -0.01 -0.64 1.09 0.54 0.00 0.00 0.00 173.10 174.08 3lqa s LYS 7 N -0.69 3.56 0.28 2.90 1.02 -1.26 -3.49 119.74 122.05 3lqa s LYS 7 Ca 0.04 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 3lqa s LYS 7 Cb -0.06 -2.05 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 3lqa s LYS 7 CO 0.00 -0.66 1.33 0.21 -0.92 0.00 0.00 175.35 175.32 3lqa s LYS 8 N -3.25 4.36 0.00 1.68 2.20 -1.13 -2.90 119.74 120.69 3lqa s LYS 8 Ca 0.70 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 3lqa s LYS 8 Cb -0.21 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3lqa s LYS 8 CO 0.24 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3lqa n GLY 9 N 1.53 1.53 3.78 5.54 0.00 0.18 -4.90 105.19 112.85 3lqa n GLY 9 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3lqa n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lqa n ASP 10 N 0.00 1.07 -4.22 1.61 8.00 -1.14 -3.69 116.55 118.17 3lqa n ASP 10 Ca 0.00 -1.98 -0.32 0.00 0.71 0.00 0.00 54.79 53.20 3lqa n ASP 10 Cb 0.00 -0.70 -0.17 0.00 -0.02 0.00 0.00 41.12 40.23 3lqa n ASP 10 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3lqa s THR 11 N -3.17 2.06 -0.01 -3.53 2.01 -1.26 -1.54 115.64 110.20 3lqa s THR 11 Ca 0.66 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3lqa s THR 11 Cb -0.03 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 3lqa s THR 11 CO 0.45 0.56 -0.13 0.54 -0.69 0.00 0.00 174.62 175.34 3lqa s VAL 12 N 0.33 1.03 -0.08 3.82 0.11 -0.35 -5.01 120.40 120.25 3lqa s VAL 12 Ca -0.19 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 3lqa s VAL 12 Cb -0.18 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 3lqa s VAL 12 CO 0.09 0.29 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.25 3lqa s GLU 13 N -0.30 2.53 -0.15 1.54 2.12 -1.26 -1.23 118.70 121.93 3lqa s GLU 13 Ca 0.05 -0.71 -0.08 0.00 0.36 0.00 0.00 54.97 54.59 3lqa s GLU 13 Cb -0.05 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 3lqa s GLU 13 CO -0.00 0.14 0.12 -0.51 -0.54 0.00 0.00 175.26 174.47 3lqa s LEU 14 N 0.41 4.24 -0.19 2.70 1.43 0.12 -4.96 118.68 122.43 3lqa s LEU 14 Ca -0.16 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3lqa s LEU 14 Cb -0.17 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3lqa s LEU 14 CO 0.07 0.30 0.11 -0.89 0.23 0.00 0.00 176.35 176.16 3lqa s THR 15 N -0.37 5.19 -0.08 5.49 2.01 -1.26 -1.01 115.64 125.61 3lqa s THR 15 Ca 0.11 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3lqa s THR 15 Cb -0.12 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.03 3lqa s THR 15 CO 0.01 0.45 -0.22 0.00 -0.69 0.00 0.00 174.62 174.16 3lqa s THR 17 N 0.26 2.07 0.23 0.00 2.01 -1.26 -2.65 115.64 116.29 3lqa s THR 17 Ca -0.15 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 60.89 3lqa s THR 17 Cb -0.17 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3lqa s THR 17 CO 0.07 0.56 0.29 0.00 -0.69 0.00 0.00 174.62 174.85 3lqa s ALA 18 N 0.34 3.81 0.25 7.40 0.00 -1.09 -5.01 121.76 127.46 3lqa s ALA 18 Ca -0.19 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 3lqa s ALA 18 Cb -0.18 -1.58 0.26 0.00 0.00 0.00 0.00 23.12 21.62 3lqa s ALA 18 CO 0.09 0.29 1.93 0.77 0.00 0.00 0.00 175.76 178.83 3lqa h SER 19 N 1.43 1.15 -3.90 0.00 0.02 -1.94 -3.43 113.55 106.88 3lqa h SER 19 Ca -0.50 -0.03 -0.38 0.00 -0.84 0.00 0.00 61.79 60.04 3lqa h SER 19 Cb 1.23 -0.29 -0.16 0.00 0.14 0.00 0.00 62.40 63.32 3lqa h SER 19 CO 0.62 0.83 -0.74 0.00 -1.14 0.00 0.00 176.83 176.40 3lqa s GLN 20 N -6.12 1.08 -1.33 3.45 -2.07 -1.26 -5.02 119.66 108.39 3lqa s GLN 20 Ca -0.13 -1.37 -0.17 0.00 -1.82 0.00 0.00 55.36 51.87 3lqa s GLN 20 Cb 0.18 -0.81 0.06 0.00 -1.09 0.00 0.00 33.01 31.35 3lqa s GLN 20 CO 0.82 0.13 1.83 0.36 -1.32 0.00 0.00 175.29 177.11 3lqa n LYS 21 N 0.12 3.13 -3.88 9.60 2.85 -1.23 -4.66 118.16 124.09 3lqa n LYS 21 Ca -0.12 -3.15 -0.12 0.00 -1.05 0.00 0.00 58.31 53.86 3lqa n LYS 21 Cb 0.59 -3.46 -0.14 0.00 -0.65 0.00 0.00 35.03 31.37 3lqa n LYS 21 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3lqa s LYS 22 N 4.04 0.02 0.11 -1.58 2.20 -1.05 -4.47 119.74 119.00 3lqa s LYS 22 Ca 0.53 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.79 3lqa s LYS 22 Cb 0.06 0.00 -0.07 0.00 -1.51 0.00 0.00 37.83 36.31 3lqa s LYS 22 CO 0.05 -0.00 1.35 0.45 -0.36 0.00 0.00 175.35 176.84 3lqa s SER 23 N -0.09 6.87 -0.10 1.43 0.15 -1.20 -4.10 113.70 116.67 3lqa s SER 23 Ca -0.01 2.27 0.04 0.00 0.70 0.00 0.00 55.95 58.95 3lqa s SER 23 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3lqa s SER 23 CO -0.00 -0.62 -0.24 -0.63 1.20 0.00 0.00 173.24 172.95 3lqa s ILE 24 N 1.09 2.04 0.31 6.45 1.01 -1.26 -5.08 121.20 125.76 3lqa s ILE 24 Ca 0.63 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3lqa s ILE 24 Cb -0.35 -1.77 -0.11 0.00 0.01 0.00 0.00 42.46 40.24 3lqa s ILE 24 CO 0.30 0.56 1.60 -1.58 0.00 0.00 0.00 174.94 175.82 3lqa s GLN 25 N 0.34 4.10 0.05 2.79 0.74 -1.26 -4.97 119.66 121.46 3lqa s GLN 25 Ca -0.19 2.61 -0.01 0.00 0.05 0.00 0.00 55.36 57.82 3lqa s GLN 25 Cb -0.18 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 3lqa s GLN 25 CO 0.09 -0.65 -0.03 -0.59 -0.55 0.00 0.00 175.29 173.56 3lqa s PHE 26 N -0.13 0.52 0.12 1.67 -0.71 -1.26 -4.23 117.98 113.95 3lqa s PHE 26 Ca 0.63 -1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 55.30 3lqa s PHE 26 Cb -0.48 -0.39 0.03 0.00 -1.21 0.00 0.00 43.02 40.97 3lqa s PHE 26 CO 0.50 -0.38 0.36 -1.58 -1.34 0.00 0.00 175.22 172.78 3lqa s HIS 27 N -3.91 -0.13 -0.02 3.49 2.46 -1.02 -2.99 115.29 113.17 3lqa s HIS 27 Ca 0.07 -0.21 0.08 0.00 0.47 0.00 0.00 55.06 55.47 3lqa s HIS 27 Cb 0.08 0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.70 3lqa s HIS 27 CO -0.10 -0.67 -0.26 -1.58 -2.47 0.00 0.00 174.74 169.66 3lqa s TRP 28 N -3.80 2.33 0.04 3.88 0.52 0.14 -1.91 118.94 120.14 3lqa s TRP 28 Ca 0.03 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.75 3lqa s TRP 28 Cb 0.02 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 3lqa s TRP 28 CO -0.12 -0.04 -0.11 0.15 0.02 0.00 0.00 176.95 176.86 3lqa s LYS 29 N -0.61 0.69 0.50 4.98 1.02 -0.06 -1.95 119.74 124.32 3lqa s LYS 29 Ca 0.10 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 3lqa s LYS 29 Cb -0.10 -0.61 0.10 0.00 -0.52 0.00 0.00 37.83 36.70 3lqa s LYS 29 CO -0.01 0.14 0.69 0.27 -0.92 0.00 0.00 175.35 175.52 3lqa n ASN 30 N 1.79 0.72 -0.35 2.83 6.94 -1.08 0.24 115.26 126.35 3lqa n ASN 30 Ca -0.19 -1.65 -0.03 0.00 -0.02 0.00 0.00 54.58 52.68 3lqa n ASN 30 Cb 0.55 -0.46 0.10 0.00 -2.36 0.00 0.00 39.78 37.61 3lqa n ASN 30 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 3lqa h SER 31 N -0.53 1.08 -4.36 0.53 0.87 -1.85 -3.39 113.55 105.92 3lqa h SER 31 Ca -0.23 -0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 59.80 3lqa h SER 31 Cb 0.78 -0.27 0.06 0.00 -0.44 0.00 0.00 62.40 62.53 3lqa h SER 31 CO 0.22 0.79 0.41 0.20 -0.53 0.00 0.00 176.83 177.92 3lqa s ASN 32 N -6.06 6.15 -1.29 6.23 0.01 -1.26 -4.90 114.94 113.82 3lqa s ASN 32 Ca -0.13 1.38 -0.10 0.00 -0.71 0.00 0.00 52.86 53.31 3lqa s ASN 32 Cb 0.17 -2.41 0.16 0.00 0.41 0.00 0.00 41.25 39.58 3lqa s ASN 32 CO 0.81 -0.91 1.90 0.00 -1.51 0.00 0.00 177.10 177.39 3lqa n GLN 33 N -2.77 3.58 -4.71 -0.60 1.13 -1.26 -4.84 117.38 107.92 3lqa n GLN 33 Ca 0.06 -3.47 -0.33 0.00 -1.94 0.00 0.00 57.00 51.32 3lqa n GLN 33 Cb 0.54 -2.94 -0.14 0.00 0.11 0.00 0.00 30.24 27.81 3lqa n GLN 33 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3lqa s ILE 34 N 0.53 3.21 -0.25 5.09 1.01 -1.26 -5.01 121.20 124.52 3lqa s ILE 34 Ca 0.40 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 3lqa s ILE 34 Cb 0.10 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3lqa s ILE 34 CO -0.00 0.52 0.67 -0.54 0.00 0.00 0.00 174.94 175.59 3lqa s LYS 35 N 0.35 4.12 -0.00 2.79 1.02 -1.26 -2.62 119.74 124.14 3lqa s LYS 35 Ca -0.10 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.52 3lqa s LYS 35 Cb -0.16 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3lqa s LYS 35 CO 0.05 -0.43 -0.00 0.82 -0.92 0.00 0.00 175.35 174.87 3lqa h ILE 36 N 5.42 0.00 -3.74 2.17 2.04 -1.65 -3.07 117.51 118.67 3lqa h ILE 36 Ca -0.26 -0.01 -0.23 0.00 1.00 0.00 0.00 64.86 65.36 3lqa h ILE 36 Cb 1.12 0.00 -0.28 0.00 -0.74 0.00 0.00 36.82 36.92 3lqa h ILE 36 CO 0.79 0.00 -0.72 -0.22 0.00 0.00 0.00 178.15 178.00 3lqa s LEU 37 N -4.02 2.01 0.36 1.44 2.96 -1.26 0.40 118.68 120.56 3lqa s LEU 37 Ca -0.00 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3lqa s LEU 37 Cb 0.00 -0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.70 3lqa s LEU 37 CO 0.00 -0.00 0.59 -0.83 -1.32 0.00 0.00 176.35 174.79 3lqa s GLY 38 N -0.04 1.08 0.05 7.98 0.00 -0.86 0.26 107.32 115.79 3lqa s GLY 38 Ca -0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 3lqa s GLY 38 CO -0.00 -0.74 -0.03 0.54 0.00 0.00 0.00 173.10 172.87 3lqa s ASN 39 N -3.18 0.49 -0.29 1.64 6.03 -1.16 -1.63 114.94 116.85 3lqa s ASN 39 Ca 0.25 -1.00 0.02 0.00 -1.03 0.00 0.00 52.86 51.10 3lqa s ASN 39 Cb -0.02 0.20 0.07 0.00 -3.03 0.00 0.00 41.25 38.47 3lqa s ASN 39 CO 0.17 -0.60 -0.04 -1.10 -2.03 0.00 0.00 177.10 173.50 3lqa s GLN 40 N -3.92 2.13 3.85 3.55 -1.52 -0.17 -4.61 119.66 118.97 3lqa s GLN 40 Ca 0.07 -1.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.03 3lqa s GLN 40 Cb 0.08 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 3lqa s GLN 40 CO -0.10 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.68 3lqa n GLY 41 N 4.45 2.93 0.36 3.09 0.00 -1.26 -0.63 105.19 114.13 3lqa n GLY 41 Ca -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 3lqa n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3lqa h SER 42 N 0.82 1.13 -4.36 1.61 0.87 -2.02 -3.47 113.55 108.14 3lqa h SER 42 Ca 0.00 -0.11 -0.51 0.00 -1.23 0.00 0.00 61.79 59.94 3lqa h SER 42 Cb 0.00 -0.29 0.07 0.00 -0.44 0.00 0.00 62.40 61.74 3lqa h SER 42 CO 0.00 0.92 0.41 -0.36 -0.53 0.00 0.00 176.83 177.27 3lqa s PHE 43 N -5.80 3.53 -0.02 2.24 0.40 0.20 -5.08 117.98 113.45 3lqa s PHE 43 Ca -0.13 1.32 0.08 0.00 -0.60 0.00 0.00 56.93 57.59 3lqa s PHE 43 Cb 0.17 -2.75 -0.02 0.00 0.51 0.00 0.00 43.02 40.93 3lqa s PHE 43 CO 0.83 -0.79 -0.25 -1.17 0.70 0.00 0.00 175.22 174.54 3lqa s LEU 44 N -5.25 2.13 0.04 -0.37 2.96 -1.26 -1.00 118.68 115.94 3lqa s LEU 44 Ca 0.56 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3lqa s LEU 44 Cb -0.12 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 3lqa s LEU 44 CO 0.54 0.32 -0.07 0.42 -1.32 0.00 0.00 176.35 176.24 3lqa s THR 45 N -0.63 0.51 -0.22 3.68 -4.23 -0.64 -4.92 115.64 109.19 3lqa s THR 45 Ca 0.10 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.38 3lqa s THR 45 Cb -0.10 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 3lqa s THR 45 CO -0.01 -0.43 0.15 -0.54 -0.54 0.00 0.00 174.62 173.25 3lqa s LYS 46 N -1.73 4.11 0.61 3.99 1.02 -1.26 -2.04 119.74 124.44 3lqa s LYS 46 Ca -0.09 -0.25 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 3lqa s LYS 46 Cb -0.09 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3lqa s LYS 46 CO -0.00 0.16 1.11 0.20 -0.92 0.00 0.00 175.35 175.90 3lqa s GLY 47 N 0.78 2.35 0.00 -3.33 0.00 1.29 -4.91 107.32 103.50 3lqa s GLY 47 Ca 0.08 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.45 3lqa s GLY 47 CO 0.02 1.00 0.32 -1.05 0.00 0.00 0.00 173.10 173.39 3lqa n PRO 48 N -1.92 0.36 -1.90 2.90 -0.02 -1.18 -4.22 135.00 129.02 3lqa n PRO 48 Ca 0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 3lqa n PRO 48 Cb 0.52 -1.29 0.09 0.00 -0.02 0.00 0.00 33.50 32.79 3lqa n PRO 48 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3lqa s SER 49 N 0.65 4.50 0.25 2.55 1.04 -1.17 -4.92 113.70 116.60 3lqa s SER 49 Ca 0.00 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 3lqa s SER 49 Cb 0.00 -1.27 0.26 0.00 0.10 0.00 0.00 66.02 65.11 3lqa s SER 49 CO 0.00 -1.91 1.93 0.11 0.98 0.00 0.00 173.24 174.35 3lqa h LYS 50 N -1.06 1.32 -1.01 4.02 1.57 -1.92 -3.12 116.57 116.38 3lqa h LYS 50 Ca -0.46 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3lqa h LYS 50 Cb 1.33 -0.30 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3lqa h LYS 50 CO 0.66 0.88 0.66 -0.07 -0.57 0.00 0.00 179.45 181.01 3lqa h LEU 51 N 1.36 1.16 0.00 2.94 3.38 -1.91 -3.42 115.31 118.82 3lqa h LEU 51 Ca 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3lqa h LEU 51 Cb -0.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.31 3lqa h LEU 51 CO -0.08 0.84 0.00 -0.46 0.09 0.00 0.00 178.44 178.83 3lqa n ASN 52 N -4.38 0.00 -4.90 -0.43 2.04 -1.18 -4.07 115.26 102.35 3lqa n ASN 52 Ca 0.12 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.97 3lqa n ASN 52 Cb 0.01 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.32 3lqa n ASN 52 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 3lqa s ASP 53 N -3.65 5.08 -2.23 0.53 -4.77 -1.26 -2.91 116.67 107.46 3lqa s ASP 53 Ca 0.00 0.92 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 3lqa s ASP 53 Cb 0.00 -1.61 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 3lqa s ASP 53 CO 0.00 -1.54 0.00 -2.11 0.70 0.00 0.00 175.17 172.22 3lqa n ARG 54 N -3.07 -1.46 -4.07 2.11 1.85 -1.26 -4.94 116.66 105.83 3lqa n ARG 54 Ca 0.07 1.24 -0.32 0.00 -1.00 0.00 0.00 57.85 57.84 3lqa n ARG 54 Cb 0.59 -5.63 -0.16 0.00 -1.05 0.00 0.00 32.46 26.21 3lqa n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3lqa s ALA 55 N -2.78 2.34 0.02 2.89 0.00 -1.15 -2.24 121.76 120.84 3lqa s ALA 55 Ca 0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 51.96 50.23 3lqa s ALA 55 Cb 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 23.12 21.81 3lqa s ALA 55 CO 0.00 -0.83 0.66 0.34 0.00 0.00 0.00 175.76 175.93 3lqa s ASP 56 N 1.24 -0.63 0.30 0.00 -1.08 -0.98 -4.96 116.67 110.56 3lqa s ASP 56 Ca -0.02 0.49 0.03 0.00 -0.52 0.00 0.00 52.55 52.52 3lqa s ASP 56 Cb -0.17 0.56 -0.06 0.00 -1.46 0.00 0.00 42.92 41.79 3lqa s ASP 56 CO -0.08 -0.72 0.07 -0.94 0.52 0.00 0.00 175.17 174.01 3lqa s SER 57 N -1.69 2.02 -0.27 -0.34 1.04 -1.26 -2.01 113.70 111.19 3lqa s SER 57 Ca -0.07 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 54.84 3lqa s SER 57 Cb -0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3lqa s SER 57 CO 0.03 -0.64 0.34 -0.13 0.98 0.00 0.00 173.24 173.81 3lqa s ARG 58 N -3.93 4.01 0.24 4.02 0.52 -1.26 -4.98 118.95 117.57 3lqa s ARG 58 Ca 0.37 -0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.49 3lqa s ARG 58 Cb 0.08 -3.66 0.24 0.00 0.52 0.00 0.00 34.95 32.14 3lqa s ARG 58 CO 0.15 -0.26 1.91 0.00 0.02 0.00 0.00 175.30 177.12 3lqa h ARG 59 N 8.20 1.30 -1.01 3.54 3.08 -1.98 -3.30 114.38 124.21 3lqa h ARG 59 Ca -0.32 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.64 3lqa h ARG 59 Cb 1.17 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 3lqa h ARG 59 CO 0.63 0.89 0.67 0.77 -1.07 0.00 0.00 179.97 181.85 3lqa h SER 60 N 1.33 1.16 -0.61 7.04 0.02 -1.95 -3.17 113.55 117.37 3lqa h SER 60 Ca 0.35 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3lqa h SER 60 Cb -0.10 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.12 3lqa h SER 60 CO -0.07 0.84 0.40 -0.07 -1.14 0.00 0.00 176.83 176.78 3lqa h LEU 61 N 1.36 0.70 -1.21 5.07 -0.00 -1.82 -3.34 115.31 116.08 3lqa h LEU 61 Ca 0.37 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 58.24 3lqa h LEU 61 Cb -0.15 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.29 3lqa h LEU 61 CO -0.08 0.52 0.54 -0.50 -0.00 0.00 0.00 178.44 178.91 3lqa h TRP 62 N 0.83 1.01 -1.00 1.13 4.06 -1.54 -1.50 115.95 118.93 3lqa h TRP 62 Ca 0.22 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.21 3lqa h TRP 62 Cb -0.09 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 27.69 3lqa h TRP 62 CO 0.00 0.62 0.66 -0.44 -3.56 0.00 0.00 178.44 175.72 3lqa h ASP 63 N 1.07 1.15 -1.00 -3.49 3.32 -1.82 -1.53 116.42 114.12 3lqa h ASP 63 Ca 0.30 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.33 3lqa h ASP 63 Cb -0.09 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.12 3lqa h ASP 63 CO -0.07 0.84 0.65 1.56 -1.72 0.00 0.00 179.24 180.50 3lqa h GLN 64 N 1.36 1.32 0.00 3.56 7.50 -1.53 -2.85 115.11 124.48 3lqa h GLN 64 Ca 0.37 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.43 3lqa h GLN 64 Cb -0.15 -0.30 0.00 0.00 0.05 0.00 0.00 27.48 27.08 3lqa h GLN 64 CO -0.08 0.88 0.00 0.41 -1.50 0.00 0.00 178.83 178.55 3lqa n GLY 65 N -1.36 1.80 3.59 3.46 0.00 -0.58 -2.54 105.19 109.55 3lqa n GLY 65 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3lqa n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lqa s ASN 66 N -2.00 6.00 -0.56 1.61 3.84 -1.10 -2.65 114.94 120.08 3lqa s ASN 66 Ca 0.00 -0.02 0.05 0.00 0.21 0.00 0.00 52.86 53.10 3lqa s ASN 66 Cb 0.00 -2.12 0.18 0.00 -0.55 0.00 0.00 41.25 38.76 3lqa s ASN 66 CO 0.00 -0.05 0.45 0.49 -2.79 0.00 0.00 177.10 175.20 3lqa n PHE 67 N 5.06 1.24 -1.60 0.43 0.99 -1.09 -3.31 117.46 119.18 3lqa n PHE 67 Ca -0.14 -3.82 -0.31 0.00 -0.00 0.00 0.00 57.45 53.18 3lqa n PHE 67 Cb 0.52 -0.22 0.05 0.00 -1.00 0.00 0.00 39.48 38.83 3lqa n PHE 67 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3lqa s PRO 68 N -0.86 2.89 -0.10 -1.08 0.05 -1.26 -4.09 135.00 130.54 3lqa s PRO 68 Ca 0.30 1.04 0.04 0.00 0.05 0.00 0.00 61.00 62.43 3lqa s PRO 68 Cb 0.02 -1.98 -0.00 0.00 0.05 0.00 0.00 34.50 32.59 3lqa s PRO 68 CO -0.17 -1.14 -0.24 -1.17 0.05 0.00 0.00 177.00 174.33 3lqa s LEU 69 N -5.42 2.09 -0.15 -3.56 2.96 -0.18 -4.45 118.68 109.98 3lqa s LEU 69 Ca 0.60 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3lqa s LEU 69 Cb -0.15 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3lqa s LEU 69 CO 0.52 0.16 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.86 3lqa s ILE 70 N 0.34 2.06 -0.14 6.68 1.01 -0.85 0.15 121.20 130.45 3lqa s ILE 70 Ca -0.19 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 3lqa s ILE 70 Cb -0.18 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3lqa s ILE 70 CO 0.09 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 174.86 3lqa s ILE 71 N 0.92 3.42 0.14 2.92 1.01 -0.37 -2.33 121.20 126.92 3lqa s ILE 71 Ca -0.04 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.14 3lqa s ILE 71 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3lqa s ILE 71 CO -0.04 0.51 -0.14 -1.59 0.00 0.00 0.00 174.94 173.67 3lqa s LYS 72 N 0.34 1.11 -1.18 2.79 -2.85 -0.95 -1.21 119.74 117.81 3lqa s LYS 72 Ca -0.08 -1.34 -0.01 0.00 -1.00 0.00 0.00 55.97 53.54 3lqa s LYS 72 Cb -0.15 -0.98 -0.01 0.00 -2.06 0.00 0.00 37.83 34.62 3lqa s LYS 72 CO 0.05 0.18 0.99 -1.71 0.10 0.00 0.00 175.35 174.95 3lqa n ASN 73 N 0.29 -2.76 -4.78 0.03 4.05 -0.82 -4.84 115.26 106.43 3lqa n ASN 73 Ca -0.13 -0.63 -0.41 0.00 0.45 0.00 0.00 54.58 53.85 3lqa n ASN 73 Cb 0.58 -5.14 -0.00 0.00 1.23 0.00 0.00 39.78 36.45 3lqa n ASN 73 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3lqa n LEU 74 N -3.99 4.85 -4.46 1.20 4.77 -0.59 -4.70 117.00 114.08 3lqa n LEU 74 Ca -0.26 1.23 -0.27 0.00 -0.03 0.00 0.00 56.01 56.68 3lqa n LEU 74 Cb 0.66 -1.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 3lqa n LEU 74 CO 0.61 0.19 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.81 3lqa s LYS 75 N -2.11 1.65 0.18 3.23 1.02 -1.26 -0.64 119.74 121.81 3lqa s LYS 75 Ca 0.53 -1.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 3lqa s LYS 75 Cb -0.47 -1.94 0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3lqa s LYS 75 CO 0.64 0.42 1.85 0.82 -0.92 0.00 0.00 175.35 178.16 3lqa h ILE 76 N 3.21 1.15 0.00 2.17 1.08 -1.96 -2.21 117.51 120.94 3lqa h ILE 76 Ca -0.47 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3lqa h ILE 76 Cb 1.20 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3lqa h ILE 76 CO 0.48 0.14 0.00 1.05 -0.69 0.00 0.00 178.15 179.14 3lqa h GLU 77 N 0.79 0.00 0.00 2.37 4.11 -1.97 -1.79 114.58 118.09 3lqa h GLU 77 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3lqa h GLU 77 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3lqa h GLU 77 CO -0.05 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 178.59 3lqa h ASP 78 N 0.00 0.00 -2.91 3.06 3.32 -1.80 -3.43 116.42 114.65 3lqa h ASP 78 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3lqa h ASP 78 Cb 0.38 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.00 3lqa h ASP 78 CO 0.00 0.00 0.97 -1.20 -1.72 0.00 0.00 179.24 177.29 3lqa n SER 79 N -3.08 3.99 -3.84 6.45 7.64 -0.67 -4.91 113.62 119.18 3lqa n SER 79 Ca 0.01 1.09 -0.07 0.00 1.01 0.00 0.00 58.87 60.91 3lqa n SER 79 Cb 0.30 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 61.89 3lqa n SER 79 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3lqa s ASP 80 N 0.92 -0.26 -0.26 6.43 -1.08 0.43 -4.97 116.67 117.88 3lqa s ASP 80 Ca 0.71 -0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 52.01 3lqa s ASP 80 Cb -0.50 0.73 -0.05 0.00 -1.46 0.00 0.00 42.92 41.65 3lqa s ASP 80 CO 0.38 -1.36 0.17 -0.89 0.52 0.00 0.00 175.17 174.00 3lqa s THR 81 N -3.89 5.33 -0.02 1.71 2.01 -1.26 0.14 115.64 119.66 3lqa s THR 81 Ca 0.11 0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.36 3lqa s THR 81 Cb -0.06 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3lqa s THR 81 CO 0.07 0.30 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.73 3lqa s TYR 82 N 1.40 2.32 -0.18 4.92 1.51 0.15 -2.58 117.35 124.90 3lqa s TYR 82 Ca 0.07 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3lqa s TYR 82 Cb -0.15 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 3lqa s TYR 82 CO 0.08 -0.04 -0.20 0.42 -1.11 0.00 0.00 175.55 174.70 3lqa s ILE 83 N -0.61 2.07 -0.20 2.71 1.01 0.64 -0.93 121.20 125.90 3lqa s ILE 83 Ca 0.10 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3lqa s ILE 83 Cb -0.10 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3lqa s ILE 83 CO -0.01 0.54 0.12 0.00 0.00 0.00 0.00 174.94 175.59 3lqa s GLU 85 N 0.36 3.16 -0.00 0.00 2.02 -0.80 -2.66 118.70 120.78 3lqa s GLU 85 Ca 0.07 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3lqa s GLU 85 Cb -0.11 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.91 3lqa s GLU 85 CO -0.02 -0.35 -0.05 0.54 0.02 0.00 0.00 175.26 175.40 3lqa s VAL 86 N 1.47 0.36 -1.55 2.63 0.11 -1.24 -2.44 120.40 119.75 3lqa s VAL 86 Ca 0.03 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 3lqa s VAL 86 Cb -0.16 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3lqa s VAL 86 CO -0.00 0.10 0.00 -1.84 -3.33 0.00 0.00 175.10 170.03 3lqa n GLU 87 N 2.98 -0.94 -3.87 1.54 0.28 -1.26 -0.74 120.64 118.63 3lqa n GLU 87 Ca -0.13 0.09 -0.29 0.00 -0.16 0.00 0.00 57.16 56.67 3lqa n GLU 87 Cb 0.58 -3.57 0.03 0.00 1.43 0.00 0.00 31.44 29.92 3lqa n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3lqa n ASP 88 N -2.88 -5.09 -4.31 -1.84 8.00 -1.26 -5.02 116.55 104.14 3lqa n ASP 88 Ca -0.33 -0.74 -0.31 0.00 0.71 0.00 0.00 54.79 54.12 3lqa n ASP 88 Cb 0.70 -4.05 -0.16 0.00 -0.02 0.00 0.00 41.12 37.59 3lqa n ASP 88 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3lqa s GLN 89 N -6.58 2.10 -0.20 -1.24 -0.21 0.08 -5.11 119.66 108.50 3lqa s GLN 89 Ca 0.66 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 55.06 3lqa s GLN 89 Cb -0.33 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 3lqa s GLN 89 CO 0.81 0.56 0.02 0.15 -2.12 0.00 0.00 175.29 174.71 3lqa s LYS 90 N -0.61 3.71 -0.02 2.91 -0.14 -1.26 -3.66 119.74 120.67 3lqa s LYS 90 Ca 0.10 -0.48 0.08 0.00 -1.36 0.00 0.00 55.97 54.31 3lqa s LYS 90 Cb -0.10 -3.13 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 3lqa s LYS 90 CO -0.01 0.06 -0.26 -1.21 -0.76 0.00 0.00 175.35 173.17 3lqa s GLU 91 N 0.89 2.10 0.04 1.68 2.02 -1.09 -5.02 118.70 119.32 3lqa s GLU 91 Ca 0.02 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.11 3lqa s GLU 91 Cb -0.14 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 3lqa s GLU 91 CO 0.02 0.56 -0.08 -1.83 0.02 0.00 0.00 175.26 173.95 3lqa s GLU 92 N -0.60 0.53 -0.00 1.61 1.03 -1.26 -1.78 118.70 118.23 3lqa s GLU 92 Ca 0.10 -0.76 -0.00 0.00 0.03 0.00 0.00 54.97 54.34 3lqa s GLU 92 Cb -0.10 -0.30 0.00 0.00 -0.80 0.00 0.00 34.13 32.93 3lqa s GLU 92 CO -0.01 0.05 0.00 0.54 -1.33 0.00 0.00 175.26 174.51 3lqa s VAL 93 N -1.38 -0.00 -0.22 1.83 0.11 -0.10 -4.59 120.40 116.04 3lqa s VAL 93 Ca -0.10 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.85 3lqa s VAL 93 Cb -0.10 -0.01 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 3lqa s VAL 93 CO 0.00 0.00 0.15 -1.58 -3.33 0.00 0.00 175.10 170.34 3lqa s GLN 94 N 0.01 4.12 -0.14 1.54 2.00 0.29 0.35 119.66 127.82 3lqa s GLN 94 Ca -0.00 -0.25 0.02 0.00 -2.00 0.00 0.00 55.36 53.13 3lqa s GLN 94 Cb -0.00 -3.49 0.01 0.00 0.80 0.00 0.00 33.01 30.33 3lqa s GLN 94 CO -0.00 0.15 -0.22 -1.17 -0.50 0.00 0.00 175.29 173.55 3lqa s LEU 95 N 0.79 2.11 0.01 3.68 2.96 0.12 -1.53 118.68 126.82 3lqa s LEU 95 Ca 0.08 -0.61 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3lqa s LEU 95 Cb -0.13 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3lqa s LEU 95 CO 0.02 0.08 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.15 3lqa s LEU 96 N 0.83 2.36 -0.12 -0.68 1.43 -1.13 -0.43 118.68 120.94 3lqa s LEU 96 Ca -0.07 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3lqa s LEU 96 Cb -0.15 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3lqa s LEU 96 CO -0.02 0.29 -0.23 -0.69 0.23 0.00 0.00 176.35 175.92 3lqa s VAL 97 N -0.78 2.07 -0.02 -1.59 1.01 -1.26 -1.62 120.40 118.21 3lqa s VAL 97 Ca 0.12 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3lqa s VAL 97 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3lqa s VAL 97 CO 0.02 0.56 -0.26 -0.36 0.00 0.00 0.00 175.10 175.05 3lqa s PHE 98 N 0.52 2.33 -0.01 5.22 0.08 -1.23 -3.46 117.98 121.43 3lqa s PHE 98 Ca -0.14 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.51 3lqa s PHE 98 Cb -0.17 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3lqa s PHE 98 CO 0.05 -0.04 -0.14 0.20 -0.10 0.00 0.00 175.22 175.19 3lqa s GLY 99 N -0.62 0.68 -0.09 4.36 0.00 0.31 -2.85 107.32 109.12 3lqa s GLY 99 Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 3lqa s GLY 99 CO -0.01 -0.47 -0.01 1.08 0.00 0.00 0.00 173.10 173.68 3lqa s LEU 100 N -0.29 3.47 0.02 0.66 1.43 -1.26 -1.82 118.68 120.90 3lqa s LEU 100 Ca 0.05 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3lqa s LEU 100 Cb -0.06 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3lqa s LEU 100 CO -0.00 0.35 -0.03 0.42 0.23 0.00 0.00 176.35 177.32 3lqa s THR 101 N -0.72 0.11 0.64 5.49 -4.23 -1.00 -4.96 115.64 110.96 3lqa s THR 101 Ca 0.11 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 3lqa s THR 101 Cb -0.12 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 3lqa s THR 101 CO 0.02 -0.50 1.04 0.00 -0.54 0.00 0.00 174.62 174.65 3lqa s ALA 102 N -1.46 3.06 0.25 3.99 0.00 -1.26 -1.67 121.76 124.68 3lqa s ALA 102 Ca -0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 3lqa s ALA 102 Cb -0.10 -3.07 0.27 0.00 0.00 0.00 0.00 23.12 20.22 3lqa s ALA 102 CO -0.01 -0.78 1.93 -2.95 0.00 0.00 0.00 175.76 173.95 3lqa h ASN 103 N -0.39 1.15 -5.36 0.00 -0.00 -1.65 -3.47 115.58 105.87 3lqa h ASN 103 Ca -0.44 -0.03 -0.12 0.00 -0.00 0.00 0.00 56.30 55.71 3lqa h ASN 103 Cb 1.20 -0.29 -0.11 0.00 -0.00 0.00 0.00 38.32 39.12 3lqa h ASN 103 CO 0.62 0.83 -0.30 -0.94 -0.00 0.00 0.00 177.43 177.65 3lqa s SER 104 N -6.13 -0.00 0.25 6.14 1.04 -1.26 -5.07 113.70 108.66 3lqa s SER 104 Ca -0.13 -1.08 -0.06 0.00 0.48 0.00 0.00 55.95 55.16 3lqa s SER 104 Cb 0.18 0.51 0.26 0.00 0.10 0.00 0.00 66.02 67.07 3lqa s SER 104 CO 0.82 -1.02 1.93 0.44 0.98 0.00 0.00 173.24 176.38 3lqa h ASP 105 N 2.39 1.16 -5.21 7.02 3.32 -2.05 -3.49 116.42 119.57 3lqa h ASP 105 Ca -0.30 -0.03 0.12 0.00 0.02 0.00 0.00 57.03 56.84 3lqa h ASP 105 Cb 1.25 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 3lqa h ASP 105 CO 0.42 0.84 0.40 0.28 -1.72 0.00 0.00 179.24 179.46 3lqa s THR 106 N -6.12 0.00 -1.46 0.35 -1.32 -1.26 -5.03 115.64 100.80 3lqa s THR 106 Ca -0.13 -0.79 -0.08 0.00 -1.21 0.00 0.00 61.69 59.48 3lqa s THR 106 Cb 0.18 -2.27 0.05 0.00 -1.51 0.00 0.00 72.50 68.95 3lqa s THR 106 CO 0.82 0.00 0.79 1.41 -2.21 0.00 0.00 174.62 175.43 3lqa n HIS 107 N -0.51 -2.02 -3.03 9.09 8.25 -1.26 -4.93 115.22 120.80 3lqa n HIS 107 Ca -0.05 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.86 3lqa n HIS 107 Cb 0.60 -3.97 -0.05 0.00 1.12 0.00 0.00 29.99 27.69 3lqa n HIS 107 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3lqa s LEU 108 N -7.04 4.36 0.33 2.41 1.43 -1.06 -4.94 118.68 114.17 3lqa s LEU 108 Ca 0.36 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 3lqa s LEU 108 Cb -0.18 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3lqa s LEU 108 CO 0.84 -0.07 0.18 -0.76 0.23 0.00 0.00 176.35 176.77 3lqa s LEU 109 N 0.52 3.36 0.39 1.79 1.43 -1.26 -3.56 118.68 121.35 3lqa s LEU 109 Ca 0.38 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 3lqa s LEU 109 Cb -0.18 -1.88 -0.11 0.00 0.03 0.00 0.00 46.19 44.05 3lqa s LEU 109 CO 0.19 -0.29 1.49 0.00 0.23 0.00 0.00 176.35 177.97 3lqa n GLN 110 N -1.20 2.62 0.00 1.70 6.02 -1.26 -3.31 117.38 121.96 3lqa n GLN 110 Ca -0.03 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 3lqa n GLN 110 Cb 0.61 -2.68 0.00 0.00 1.02 0.00 0.00 30.24 29.19 3lqa n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lqa n GLY 111 N 0.46 1.51 3.87 1.08 0.00 -1.21 -4.91 105.19 105.99 3lqa n GLY 111 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3lqa n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lqa s GLN 112 N -0.50 3.59 0.10 1.61 -0.21 -1.21 -4.47 119.66 118.57 3lqa s GLN 112 Ca 0.00 0.75 0.08 0.00 0.02 0.00 0.00 55.36 56.21 3lqa s GLN 112 Cb 0.00 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 3lqa s GLN 112 CO 0.00 -0.58 -0.20 -1.54 -2.12 0.00 0.00 175.29 170.85 3lqa s SER 113 N -4.18 2.44 -0.24 5.90 1.04 -1.26 -1.00 113.70 116.40 3lqa s SER 113 Ca 0.55 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 3lqa s SER 113 Cb -0.11 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 3lqa s SER 113 CO 0.54 0.04 0.13 -0.22 0.98 0.00 0.00 173.24 174.72 3lqa s LEU 114 N -1.88 3.93 -0.10 2.42 2.96 -1.07 -4.98 118.68 119.95 3lqa s LEU 114 Ca 0.05 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3lqa s LEU 114 Cb -0.10 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.54 3lqa s LEU 114 CO 0.04 0.04 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.98 3lqa s THR 115 N 1.18 2.06 -0.07 3.68 2.01 -1.26 -1.84 115.64 121.39 3lqa s THR 115 Ca 0.06 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3lqa s THR 115 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3lqa s THR 115 CO 0.05 0.56 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 3lqa s LEU 116 N 0.34 3.19 0.08 4.42 1.43 -0.52 -1.51 118.68 126.12 3lqa s LEU 116 Ca -0.19 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 3lqa s LEU 116 Cb -0.18 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3lqa s LEU 116 CO 0.09 0.36 -0.17 0.42 0.23 0.00 0.00 176.35 177.28 3lqa s THR 117 N -0.77 1.34 -0.13 5.49 -4.23 -0.67 -1.62 115.64 115.05 3lqa s THR 117 Ca 0.12 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3lqa s THR 117 Cb -0.11 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.48 3lqa s THR 117 CO 0.02 -0.16 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.52 3lqa s LEU 118 N -1.80 2.27 -0.16 4.79 2.96 -1.20 -2.38 118.68 123.16 3lqa s LEU 118 Ca 0.01 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3lqa s LEU 118 Cb -0.10 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3lqa s LEU 118 CO 0.03 0.12 -0.02 -1.83 -1.32 0.00 0.00 176.35 173.33 3lqa s GLU 119 N 0.61 3.73 0.13 1.98 -1.05 -0.75 -4.92 118.70 118.42 3lqa s GLU 119 Ca -0.11 -0.48 0.11 0.00 -0.15 0.00 0.00 54.97 54.34 3lqa s GLU 119 Cb -0.16 -2.97 -0.04 0.00 -0.44 0.00 0.00 34.13 30.52 3lqa s GLU 119 CO 0.03 0.25 -0.27 0.45 0.95 0.00 0.00 175.26 176.67 3lqa s SER 120 N 0.35 3.32 0.69 0.83 0.15 -1.26 -0.53 113.70 117.24 3lqa s SER 120 Ca -0.03 -0.75 -0.14 0.00 0.70 0.00 0.00 55.95 55.74 3lqa s SER 120 Cb -0.14 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3lqa s SER 120 CO 0.02 0.18 1.10 -2.16 1.20 0.00 0.00 173.24 173.59 3lqa s PRO 121 N -2.04 2.67 -0.02 5.44 0.04 -1.22 -4.89 135.00 134.98 3lqa s PRO 121 Ca 0.14 1.32 -0.38 0.00 0.04 0.00 0.00 61.00 62.12 3lqa s PRO 121 Cb -0.10 -1.94 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 3lqa s PRO 121 CO 0.06 -1.34 1.03 -0.35 0.04 0.00 0.00 177.00 176.44 3lqa n PRO 122 N -2.70 0.00 -2.19 0.56 -0.04 -1.26 -2.79 135.00 126.57 3lqa n PRO 122 Ca 0.10 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 3lqa n PRO 122 Cb 0.52 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 3lqa n PRO 122 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lqa n GLY 123 N 1.51 -0.06 3.18 0.55 0.00 -1.26 -5.07 105.19 104.04 3lqa n GLY 123 Ca 0.19 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3lqa n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lqa s SER 124 N -2.53 1.75 0.11 1.61 0.01 -1.12 -5.14 113.70 108.39 3lqa s SER 124 Ca 0.00 -0.60 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 3lqa s SER 124 Cb 0.00 -0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.09 3lqa s SER 124 CO 0.00 -0.05 1.35 -0.44 0.41 0.00 0.00 173.24 174.51 3lqa s SER 125 N -1.67 6.87 -0.12 2.44 0.01 -1.26 -4.91 113.70 115.06 3lqa s SER 125 Ca -0.01 2.27 -0.01 0.00 1.31 0.00 0.00 55.95 59.51 3lqa s SER 125 Cb -0.10 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.58 3lqa s SER 125 CO 0.02 -0.62 -0.04 -2.16 0.41 0.00 0.00 173.24 170.86 3lqa s PRO 126 N 1.08 1.18 -0.01 12.44 0.05 -1.26 -4.79 135.00 143.68 3lqa s PRO 126 Ca 0.63 -0.23 0.06 0.00 0.05 0.00 0.00 61.00 61.51 3lqa s PRO 126 Cb -0.35 -1.57 -0.01 0.00 0.05 0.00 0.00 34.50 32.61 3lqa s PRO 126 CO 0.30 -0.35 -0.19 -1.54 0.05 0.00 0.00 177.00 175.27 3lqa s SER 127 N 1.78 2.28 -0.10 6.66 1.04 -1.26 -3.72 113.70 120.37 3lqa s SER 127 Ca 0.03 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.15 3lqa s SER 127 Cb -0.14 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.73 3lqa s SER 127 CO -0.07 0.24 -0.23 -0.69 0.98 0.00 0.00 173.24 173.46 3lqa s VAL 128 N -0.46 2.02 -0.11 5.02 1.01 -0.91 -3.13 120.40 123.84 3lqa s VAL 128 Ca 0.07 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3lqa s VAL 128 Cb -0.07 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3lqa s VAL 128 CO -0.01 0.55 -0.20 -1.58 0.00 0.00 0.00 175.10 173.87 3lqa s GLN 129 N 0.39 3.18 -0.08 2.72 0.74 -0.19 -2.84 119.66 123.58 3lqa s GLN 129 Ca -0.18 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.45 3lqa s GLN 129 Cb -0.18 -2.43 0.01 0.00 1.10 0.00 0.00 33.01 31.51 3lqa s GLN 129 CO 0.08 0.19 -0.16 0.00 -0.55 0.00 0.00 175.29 174.85 3lqa s ARG 131 N 0.56 4.06 0.77 0.00 0.52 0.05 -2.30 118.95 122.61 3lqa s ARG 131 Ca -0.16 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 3lqa s ARG 131 Cb -0.17 -3.44 0.05 0.00 0.52 0.00 0.00 34.95 31.92 3lqa s ARG 131 CO 0.05 0.14 1.09 -1.54 0.02 0.00 0.00 175.30 175.07 3lqa s SER 132 N 0.80 4.54 0.38 0.23 1.04 -0.98 -2.50 113.70 117.21 3lqa s SER 132 Ca 0.07 1.81 0.14 0.00 0.48 0.00 0.00 55.95 58.45 3lqa s SER 132 Cb -0.13 -2.52 0.97 0.00 0.10 0.00 0.00 66.02 64.44 3lqa s SER 132 CO 0.02 -2.01 1.83 -0.65 0.98 0.00 0.00 173.24 173.41 3lqa h PRO 133 N -1.11 0.51 -1.01 4.02 0.11 -1.85 1.52 132.00 134.19 3lqa h PRO 133 Ca -0.44 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3lqa h PRO 133 Cb 1.23 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3lqa h PRO 133 CO 0.52 0.34 0.67 0.00 -0.21 0.00 0.00 178.00 179.31 3lqa h ARG 134 N 0.53 1.32 0.00 1.05 3.08 -1.88 -3.48 114.38 115.01 3lqa h ARG 134 Ca 0.50 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3lqa h ARG 134 Cb 1.08 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3lqa h ARG 134 CO -0.24 0.88 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 3lqa n GLY 135 N -1.38 0.66 3.72 0.04 0.00 0.52 -5.05 105.19 103.69 3lqa n GLY 135 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3lqa n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lqa s LYS 136 N -0.75 4.16 -0.27 1.61 2.20 -1.26 -4.39 119.74 121.03 3lqa s LYS 136 Ca 0.00 2.52 -0.10 0.00 -0.36 0.00 0.00 55.97 58.03 3lqa s LYS 136 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3lqa s LYS 136 CO 0.00 -0.70 0.16 1.21 -0.36 0.00 0.00 175.35 175.66 3lqa s ASN 137 N 1.18 5.80 -0.17 1.43 3.84 -1.26 -2.31 114.94 123.45 3lqa s ASN 137 Ca 0.73 -0.06 0.01 0.00 0.21 0.00 0.00 52.86 53.76 3lqa s ASN 137 Cb -0.48 -2.07 0.02 0.00 -0.55 0.00 0.00 41.25 38.17 3lqa s ASN 137 CO 0.32 -0.05 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.75 3lqa s ILE 138 N 1.72 2.08 -1.01 -5.21 1.01 -0.97 -4.96 121.20 113.86 3lqa s ILE 138 Ca 0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 3lqa s ILE 138 Cb -0.16 -1.86 0.26 0.00 0.01 0.00 0.00 42.46 40.71 3lqa s ILE 138 CO 0.09 0.54 0.99 -1.10 0.00 0.00 0.00 174.94 175.47 3lqa s GLN 139 N 1.14 3.99 0.25 2.79 -0.21 -1.26 -2.52 119.66 123.84 3lqa s GLN 139 Ca 0.01 -2.94 -0.06 0.00 0.02 0.00 0.00 55.36 52.39 3lqa s GLN 139 Cb -0.14 -4.52 0.27 0.00 1.00 0.00 0.00 33.01 29.62 3lqa s GLN 139 CO -0.09 -1.27 1.93 0.78 -2.12 0.00 0.00 175.29 174.52 3lqa h GLY 140 N 7.11 1.40 0.00 3.09 0.00 -1.75 -3.48 103.07 109.45 3lqa h GLY 140 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3lqa h GLY 140 CO 0.92 0.51 0.00 0.61 0.00 0.00 0.00 176.54 178.59 3lqa n GLY 141 N -1.38 2.40 0.38 4.60 0.00 -1.21 -4.05 105.19 105.93 3lqa n GLY 141 Ca 0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3lqa n GLY 141 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3lqa h LYS 142 N 0.00 1.33 -4.09 1.61 2.10 -1.93 -2.41 116.57 113.17 3lqa h LYS 142 Ca 0.00 -0.08 -0.15 0.00 -2.00 0.00 0.00 60.65 58.42 3lqa h LYS 142 Cb 0.00 -0.30 -0.18 0.00 -0.90 0.00 0.00 32.23 30.85 3lqa h LYS 142 CO 0.00 0.88 -0.69 0.95 -2.00 0.00 0.00 179.45 178.59 3lqa s THR 143 N -6.12 0.16 -0.10 0.07 -4.23 -1.26 -3.24 115.64 100.92 3lqa s THR 143 Ca -0.13 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3lqa s THR 143 Cb 0.18 -0.79 -0.00 0.00 1.34 0.00 0.00 72.50 73.23 3lqa s THR 143 CO 0.82 -0.71 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.73 3lqa s LEU 144 N -2.07 2.09 -0.01 4.79 1.98 -0.64 -4.49 118.68 120.33 3lqa s LEU 144 Ca -0.06 -0.56 0.05 0.00 -2.89 0.00 0.00 54.13 50.67 3lqa s LEU 144 Cb -0.02 -1.41 -0.01 0.00 0.66 0.00 0.00 46.19 45.40 3lqa s LEU 144 CO -0.05 0.16 -0.16 -0.44 -1.89 0.00 0.00 176.35 173.97 3lqa s SER 145 N 0.33 1.87 -0.22 3.68 0.01 -1.26 -1.43 113.70 116.68 3lqa s SER 145 Ca -0.19 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 3lqa s SER 145 Cb -0.18 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 3lqa s SER 145 CO 0.09 0.20 -0.03 -0.69 0.41 0.00 0.00 173.24 173.21 3lqa s VAL 146 N -0.37 3.45 0.23 3.43 1.01 -0.77 -5.00 120.40 122.37 3lqa s VAL 146 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3lqa s VAL 146 Cb -0.06 -2.57 0.20 0.00 0.00 0.00 0.00 36.38 33.95 3lqa s VAL 146 CO -0.01 0.41 1.84 0.77 0.00 0.00 0.00 175.10 178.12 3lqa h SER 147 N 8.12 1.13 -3.62 3.32 4.64 -1.92 -2.84 113.55 122.37 3lqa h SER 147 Ca -0.41 -0.11 -0.34 0.00 -0.47 0.00 0.00 61.79 60.46 3lqa h SER 147 Cb 1.16 -0.29 -0.32 0.00 -0.31 0.00 0.00 62.40 62.64 3lqa h SER 147 CO 0.60 0.92 -0.75 0.00 -0.87 0.00 0.00 176.83 176.73 3lqa s GLN 148 N -5.78 0.39 0.60 4.77 -2.07 -1.26 -4.16 119.66 112.14 3lqa s GLN 148 Ca -0.13 -0.03 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 3lqa s GLN 148 Cb 0.17 -0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 31.57 3lqa s GLN 148 CO 0.83 -0.05 1.02 -0.51 -1.32 0.00 0.00 175.29 175.27 3lqa s LEU 149 N 0.59 3.31 0.15 2.60 1.43 -0.17 -4.83 118.68 121.75 3lqa s LEU 149 Ca -0.06 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 3lqa s LEU 149 Cb -0.09 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3lqa s LEU 149 CO -0.01 -0.82 -0.02 -1.61 0.23 0.00 0.00 176.35 174.13 3lqa s GLU 150 N -4.97 1.01 0.25 1.70 2.02 -1.26 -3.35 118.70 114.10 3lqa s GLU 150 Ca 0.56 -1.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.02 3lqa s GLU 150 Cb -0.11 -0.22 0.26 0.00 0.10 0.00 0.00 34.13 34.16 3lqa s GLU 150 CO 0.50 -0.10 1.93 -0.07 0.02 0.00 0.00 175.26 177.53 3lqa h LEU 151 N 2.79 1.16 -1.01 1.80 3.38 -1.99 -3.30 115.31 118.13 3lqa h LEU 151 Ca -0.36 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3lqa h LEU 151 Cb 1.19 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3lqa h LEU 151 CO 0.63 0.84 0.67 1.56 0.09 0.00 0.00 178.44 182.23 3lqa h GLN 152 N 1.36 1.33 0.00 1.13 4.20 -2.04 -2.99 115.11 118.11 3lqa h GLN 152 Ca 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3lqa h GLN 152 Cb -0.15 -0.30 -0.00 0.00 0.30 0.00 0.00 27.48 27.33 3lqa h GLN 152 CO -0.08 0.88 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.49 3lqa h ASP 153 N 1.37 0.00 -4.31 1.46 3.32 -1.99 -3.39 116.42 112.87 3lqa h ASP 153 Ca 0.37 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.90 3lqa h ASP 153 Cb -0.16 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.52 3lqa h ASP 153 CO -0.08 0.03 0.32 -0.94 -1.72 0.00 0.00 179.24 176.85 3lqa s SER 154 N -5.74 4.54 0.00 6.45 1.04 -1.13 -4.74 113.70 114.11 3lqa s SER 154 Ca 0.01 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3lqa s SER 154 Cb 0.09 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3lqa s SER 154 CO 0.55 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 173.37 3lqa n GLY 155 N -1.24 -2.65 3.70 7.32 0.00 0.21 -4.87 105.19 107.66 3lqa n GLY 155 Ca 0.09 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 3lqa n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lqa s THR 156 N -1.00 5.39 0.16 2.61 2.01 -1.26 -0.90 115.64 122.65 3lqa s THR 156 Ca 0.00 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.24 3lqa s THR 156 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3lqa s THR 156 CO 0.00 0.40 -0.11 -1.66 -0.69 0.00 0.00 174.62 172.56 3lqa s TRP 157 N 0.65 1.38 -0.10 4.92 1.48 -0.54 -4.52 118.94 122.20 3lqa s TRP 157 Ca 0.08 -0.71 0.04 0.00 -1.06 0.00 0.00 56.10 54.45 3lqa s TRP 157 Cb -0.12 -0.68 -0.00 0.00 -1.16 0.00 0.00 33.47 31.51 3lqa s TRP 157 CO 0.01 0.15 -0.24 0.99 -4.06 0.00 0.00 176.95 173.80 3lqa s THR 158 N -3.24 2.07 0.08 0.66 2.01 -1.04 -0.61 115.64 115.57 3lqa s THR 158 Ca 0.18 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.21 3lqa s THR 158 Cb 0.02 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3lqa s THR 158 CO 0.02 0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 174.48 3lqa s THR 160 N -1.23 2.06 -0.11 0.00 2.01 0.21 -0.94 115.64 117.63 3lqa s THR 160 Ca 0.23 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3lqa s THR 160 Cb -0.11 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 3lqa s THR 160 CO 0.15 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.76 3lqa s VAL 161 N 0.34 2.47 -0.21 3.82 1.01 -1.01 -1.02 120.40 125.80 3lqa s VAL 161 Ca -0.19 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3lqa s VAL 161 Cb -0.18 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 3lqa s VAL 161 CO 0.09 0.54 -0.08 -0.22 0.00 0.00 0.00 175.10 175.44 3lqa s LEU 162 N 0.37 2.73 0.00 3.92 0.20 -1.18 -2.63 118.68 122.09 3lqa s LEU 162 Ca -0.15 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.22 3lqa s LEU 162 Cb -0.17 -1.68 -0.00 0.00 -0.43 0.00 0.00 46.19 43.90 3lqa s LEU 162 CO 0.07 -0.01 -0.01 -1.10 -0.29 0.00 0.00 176.35 175.01 3lqa s GLN 163 N 1.42 0.06 -1.63 1.98 -1.52 -0.95 -4.50 119.66 114.53 3lqa s GLN 163 Ca 0.05 -0.11 -0.17 0.00 -1.95 0.00 0.00 55.36 53.19 3lqa s GLN 163 Cb -0.14 0.01 0.13 0.00 -0.22 0.00 0.00 33.01 32.79 3lqa s GLN 163 CO -0.05 -0.01 0.89 0.09 -0.25 0.00 0.00 175.29 175.97 3lqa n ASN 164 N 2.82 -4.11 -4.03 5.90 3.02 -1.26 -0.33 115.26 117.26 3lqa n ASN 164 Ca -0.14 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.19 3lqa n ASN 164 Cb 0.59 -3.32 0.01 0.00 -0.61 0.00 0.00 39.78 36.45 3lqa n ASN 164 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lqa n GLN 165 N -4.54 -4.64 -4.43 3.52 1.13 -1.26 -4.94 117.38 102.22 3lqa n GLN 165 Ca 0.06 0.51 -0.23 0.00 -1.94 0.00 0.00 57.00 55.40 3lqa n GLN 165 Cb 0.50 -5.35 -0.13 0.00 0.11 0.00 0.00 30.24 25.37 3lqa n GLN 165 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3lqa s LYS 166 N -6.74 1.17 0.04 -1.09 -0.14 0.55 -5.16 119.74 108.37 3lqa s LYS 166 Ca 0.70 -0.98 0.09 0.00 -1.36 0.00 0.00 55.97 54.43 3lqa s LYS 166 Cb -0.36 -1.30 -0.03 0.00 -1.68 0.00 0.00 37.83 34.45 3lqa s LYS 166 CO 0.87 0.32 -0.26 0.15 -0.76 0.00 0.00 175.35 175.66 3lqa s LYS 167 N -1.46 1.83 -0.01 1.68 1.02 -1.26 -2.24 119.74 119.30 3lqa s LYS 167 Ca 0.05 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.98 3lqa s LYS 167 Cb -0.09 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3lqa s LYS 167 CO 0.03 0.52 -0.13 0.54 -0.92 0.00 0.00 175.35 175.38 3lqa s VAL 168 N -0.79 1.03 -0.24 3.17 0.11 -1.08 -4.96 120.40 117.64 3lqa s VAL 168 Ca 0.12 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.51 3lqa s VAL 168 Cb -0.10 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 3lqa s VAL 168 CO 0.02 0.29 0.15 -0.70 -3.33 0.00 0.00 175.10 171.53 3lqa s GLU 169 N -0.30 4.05 -0.02 1.54 2.12 -1.26 -2.39 118.70 122.43 3lqa s GLU 169 Ca 0.05 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.18 3lqa s GLU 169 Cb -0.05 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 3lqa s GLU 169 CO -0.00 0.06 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.45 3lqa s PHE 170 N 1.06 2.33 -0.01 5.30 0.08 -0.11 -4.98 117.98 121.66 3lqa s PHE 170 Ca 0.07 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.72 3lqa s PHE 170 Cb -0.14 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3lqa s PHE 170 CO 0.04 -0.04 -0.13 -1.59 -0.10 0.00 0.00 175.22 173.41 3lqa s LYS 171 N -0.61 1.03 -0.13 0.44 -2.85 -1.26 0.51 119.74 116.87 3lqa s LYS 171 Ca 0.10 -0.49 0.03 0.00 -1.00 0.00 0.00 55.97 54.61 3lqa s LYS 171 Cb -0.10 -1.00 0.01 0.00 -2.06 0.00 0.00 37.83 34.68 3lqa s LYS 171 CO -0.01 0.27 -0.23 0.42 0.10 0.00 0.00 175.35 175.90 3lqa s ILE 172 N -0.35 2.06 0.14 3.79 -1.09 0.22 -4.95 121.20 121.01 3lqa s ILE 172 Ca 0.05 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.17 3lqa s ILE 172 Cb -0.05 -1.81 -0.06 0.00 -1.58 0.00 0.00 42.46 38.96 3lqa s ILE 172 CO -0.00 0.55 0.96 -1.81 -1.23 0.00 0.00 174.94 173.40 3lqa s ASP 173 N 0.67 7.53 -0.12 3.58 1.01 -1.26 -1.47 116.67 126.60 3lqa s ASP 173 Ca -0.11 1.82 0.03 0.00 0.71 0.00 0.00 52.55 55.01 3lqa s ASP 173 Cb -0.16 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3lqa s ASP 173 CO 0.01 -0.02 -0.23 -0.63 0.21 0.00 0.00 175.17 174.52 3lqa s ILE 174 N -0.24 2.05 -0.21 0.77 1.01 -0.08 -4.92 121.20 119.59 3lqa s ILE 174 Ca 0.46 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 3lqa s ILE 174 Cb -0.24 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3lqa s ILE 174 CO 0.30 0.55 -0.06 -0.69 0.00 0.00 0.00 174.94 175.05 3lqa s VAL 175 N 0.54 3.30 -0.36 2.92 1.01 -1.26 0.65 120.40 127.20 3lqa s VAL 175 Ca -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3lqa s VAL 175 Cb -0.17 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3lqa s VAL 175 CO 0.04 0.44 0.59 0.52 0.00 0.00 0.00 175.10 176.70