#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqa s VAL 4 N 0.00 0.05 0.29 -3.33 0.11 -1.26 -5.02 120.40 111.24 3lqa s VAL 4 Ca 0.00 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 3lqa s VAL 4 Cb 0.00 -0.05 -0.08 0.00 -1.53 0.00 0.00 36.38 34.71 3lqa s VAL 4 CO 0.00 0.01 0.67 -0.76 -3.33 0.00 0.00 175.10 171.70 3lqa s LEU 5 N -0.02 4.11 -0.01 2.54 1.43 -1.26 -4.87 118.68 120.59 3lqa s LEU 5 Ca 0.00 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.31 3lqa s LEU 5 Cb -0.00 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 3lqa s LEU 5 CO -0.00 -0.15 -0.15 0.42 0.23 0.00 0.00 176.35 176.70 3lqa s THR 6 N -1.92 1.17 0.05 5.49 -4.23 -0.98 -3.98 115.64 111.24 3lqa s THR 6 Ca 0.52 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 3lqa s THR 6 Cb -0.11 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 3lqa s THR 6 CO 0.19 0.33 -0.03 0.00 -0.54 0.00 0.00 174.62 174.57 3lqa s GLN 7 N -0.35 0.61 0.67 3.99 -2.07 -1.26 -1.46 119.66 119.79 3lqa s GLN 7 Ca 0.06 -1.22 -0.14 0.00 -1.82 0.00 0.00 55.36 52.23 3lqa s GLN 7 Cb -0.06 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 3lqa s GLN 7 CO -0.01 -0.11 1.11 -1.25 -1.32 0.00 0.00 175.29 173.71 3lqa s PRO 8 N -3.92 2.76 0.18 9.60 0.04 -1.26 -4.78 135.00 137.63 3lqa s PRO 8 Ca 0.07 1.36 0.10 0.00 0.04 0.00 0.00 61.00 62.57 3lqa s PRO 8 Cb 0.08 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 3lqa s PRO 8 CO -0.10 -1.28 1.33 -1.35 0.04 0.00 0.00 177.00 175.65 3lqa h PRO 9 N -0.09 0.00 -3.12 0.56 0.11 -1.95 -3.29 132.00 124.22 3lqa h PRO 9 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3lqa h PRO 9 Cb 1.24 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.15 3lqa h PRO 9 CO 0.54 0.78 -0.32 -1.54 -0.21 0.00 0.00 178.00 177.25 3lqa s SER 10 N -6.59 -0.15 -0.00 -2.05 1.04 -1.26 -3.17 113.70 101.52 3lqa s SER 10 Ca 0.02 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 3lqa s SER 10 Cb 0.09 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3lqa s SER 10 CO 0.79 -0.42 0.00 -0.69 0.98 0.00 0.00 173.24 173.90 3lqa s VAL 11 N -1.27 0.00 0.04 5.02 1.01 -1.08 -5.01 120.40 119.11 3lqa s VAL 11 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3lqa s VAL 11 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 3lqa s VAL 11 CO 0.04 -0.00 -0.03 -0.94 0.00 0.00 0.00 175.10 174.16 3lqa s SER 12 N -0.01 0.40 0.16 3.32 1.04 -1.26 -1.31 113.70 116.04 3lqa s SER 12 Ca -0.00 -0.79 -0.23 0.00 0.48 0.00 0.00 55.95 55.41 3lqa s SER 12 Cb -0.00 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.35 3lqa s SER 12 CO -0.00 -0.47 0.60 0.00 0.98 0.00 0.00 173.24 174.35 3lqa s ALA 13 N -2.89 -1.60 0.77 5.32 0.00 -0.99 -4.98 121.76 117.40 3lqa s ALA 13 Ca -0.03 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3lqa s ALA 13 Cb 0.00 0.88 0.06 0.00 0.00 0.00 0.00 23.12 24.06 3lqa s ALA 13 CO -0.06 -0.77 1.09 0.00 0.00 0.00 0.00 175.76 176.02 3lqa s ALA 14 N -3.74 2.27 -1.01 0.00 0.00 -1.26 -1.72 121.76 116.29 3lqa s ALA 14 Ca 0.01 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.34 3lqa s ALA 14 Cb -0.01 -3.27 0.48 0.00 0.00 0.00 0.00 23.12 20.32 3lqa s ALA 14 CO -0.13 -1.75 1.36 -2.30 0.00 0.00 0.00 175.76 172.93 3lqa n PRO 15 N -3.51 0.01 -0.08 0.00 -0.02 -1.26 -3.12 135.00 127.01 3lqa n PRO 15 Ca 0.09 0.30 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 3lqa n PRO 15 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 3lqa n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lqa n GLY 16 N -0.34 -0.51 3.78 -1.23 0.00 -1.26 -4.19 105.19 101.44 3lqa n GLY 16 Ca 0.03 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3lqa n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3lqa n GLN 17 N -3.28 2.70 -2.80 1.61 7.27 -1.18 -2.76 117.38 118.95 3lqa n GLN 17 Ca -0.39 0.95 -0.38 0.00 0.07 0.00 0.00 57.00 57.24 3lqa n GLN 17 Cb 1.03 -2.68 -0.06 0.00 2.41 0.00 0.00 30.24 30.93 3lqa n GLN 17 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3lqa s LYS 18 N -2.10 4.69 -0.00 3.69 2.20 -1.26 -2.89 119.74 124.06 3lqa s LYS 18 Ca 0.53 1.36 -0.00 0.00 -0.36 0.00 0.00 55.97 57.50 3lqa s LYS 18 Cb -0.47 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3lqa s LYS 18 CO 0.64 0.41 0.00 0.54 -0.36 0.00 0.00 175.35 176.58 3lqa s VAL 19 N -1.38 0.00 0.08 4.02 0.11 -1.06 -5.02 120.40 117.14 3lqa s VAL 19 Ca 0.45 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.55 3lqa s VAL 19 Cb -0.22 -0.01 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3lqa s VAL 19 CO 0.27 -0.00 -0.16 0.42 -3.33 0.00 0.00 175.10 172.31 3lqa s THR 20 N -0.00 1.26 -0.18 5.04 -4.23 -1.26 -2.73 115.64 113.54 3lqa s THR 20 Ca -0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3lqa s THR 20 Cb -0.00 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.67 3lqa s THR 20 CO 0.00 -0.18 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.07 3lqa s ILE 21 N -1.24 2.07 -0.12 2.99 1.01 -1.00 -4.98 121.20 119.92 3lqa s ILE 21 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3lqa s ILE 21 Cb -0.10 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3lqa s ILE 21 CO 0.03 0.54 -0.16 -0.94 0.00 0.00 0.00 174.94 174.41 3lqa s SER 22 N 1.29 3.80 -0.10 3.58 1.04 -1.26 -1.36 113.70 120.69 3lqa s SER 22 Ca 0.05 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.13 3lqa s SER 22 Cb -0.13 -1.56 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 3lqa s SER 22 CO -0.13 0.17 -0.19 0.00 0.98 0.00 0.00 173.24 174.07 3lqa s SER 24 N 0.11 1.99 0.00 0.00 0.01 -0.54 -1.53 113.70 113.74 3lqa s SER 24 Ca -0.09 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3lqa s SER 24 Cb -0.15 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.86 3lqa s SER 24 CO 0.06 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.52 3lqa n GLY 25 N 2.65 5.62 3.20 3.44 0.00 -0.24 -2.33 105.19 117.53 3lqa n GLY 25 Ca -0.15 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 3lqa n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lqa s SER 26 N 1.00 1.90 0.53 1.61 0.01 -1.26 -4.82 113.70 112.67 3lqa s SER 26 Ca 0.00 -0.64 0.27 0.00 1.31 0.00 0.00 55.95 56.89 3lqa s SER 26 Cb 0.00 -0.07 1.42 0.00 0.21 0.00 0.00 66.02 67.57 3lqa s SER 26 CO 0.00 -0.04 1.96 0.77 0.41 0.00 0.00 173.24 176.34 3lqa h SER 27 N 4.23 0.01 -1.01 2.44 4.64 -1.95 0.49 113.55 122.40 3lqa h SER 27 Ca -0.42 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3lqa h SER 27 Cb 1.19 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3lqa h SER 27 CO 0.40 0.00 0.67 0.77 -0.87 0.00 0.00 176.83 177.80 3lqa h SER 28 N 0.01 1.16 0.00 4.97 4.64 -1.98 -3.07 113.55 119.27 3lqa h SER 28 Ca 0.31 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3lqa h SER 28 Cb 1.22 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3lqa h SER 28 CO -0.01 0.84 0.00 -0.46 -0.87 0.00 0.00 176.83 176.33 3lqa n ASN 29 N -4.38 0.00 -0.22 4.97 6.94 0.17 -3.18 115.26 119.56 3lqa n ASN 29 Ca 0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.63 3lqa n ASN 29 Cb 0.01 -0.01 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3lqa n ASN 29 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3lqa h ILE 30 N 0.00 1.17 -0.01 1.53 1.08 -1.60 -2.42 117.51 117.24 3lqa h ILE 30 Ca 0.00 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3lqa h ILE 30 Cb 0.00 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 33.99 3lqa h ILE 30 CO 0.00 0.16 0.01 1.23 -0.69 0.00 0.00 178.15 178.86 3lqa h GLY 31 N 0.86 0.02 1.02 5.37 0.00 -1.62 -2.96 103.07 105.76 3lqa h GLY 31 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3lqa h GLY 31 CO -0.05 0.01 0.56 0.50 0.00 0.00 0.00 176.54 177.56 3lqa h LYS 32 N 0.02 1.28 -6.01 4.80 1.57 -1.56 -3.48 116.57 113.20 3lqa h LYS 32 Ca 0.01 -0.12 -0.61 0.00 -1.87 0.00 0.00 60.65 58.05 3lqa h LYS 32 Cb -0.00 -0.27 -0.13 0.00 0.08 0.00 0.00 32.23 31.91 3lqa h LYS 32 CO -0.00 0.90 -0.69 -0.80 -0.57 0.00 0.00 179.45 178.29 3lqa s ASN 33 N -6.18 3.74 0.54 0.86 -0.87 -0.91 -5.11 114.94 107.00 3lqa s ASN 33 Ca -0.13 -1.14 -0.20 0.00 -1.57 0.00 0.00 52.86 49.83 3lqa s ASN 33 Cb 0.17 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.25 40.99 3lqa s ASN 33 CO 0.83 -0.15 1.13 -0.31 -2.57 0.00 0.00 177.10 176.03 3lqa s TYR 34 N -2.58 2.68 -0.18 2.20 2.02 -1.26 -4.71 117.35 115.53 3lqa s TYR 34 Ca 0.32 1.54 -0.04 0.00 -0.37 0.00 0.00 57.07 58.53 3lqa s TYR 34 Cb 0.00 -3.29 -0.02 0.00 -0.40 0.00 0.00 41.96 38.26 3lqa s TYR 34 CO 0.16 -1.56 -0.04 0.08 -1.57 0.00 0.00 175.55 172.63 3lqa s VAL 35 N -1.77 3.72 0.11 0.71 1.01 -1.26 -3.68 120.40 119.25 3lqa s VAL 35 Ca 0.72 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3lqa s VAL 35 Cb -0.24 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3lqa s VAL 35 CO 0.27 0.47 -0.11 -0.94 0.00 0.00 0.00 175.10 174.79 3lqa s SER 36 N 0.73 1.63 -0.02 3.32 1.04 0.15 -0.78 113.70 119.77 3lqa s SER 36 Ca -0.02 -0.87 0.08 0.00 0.48 0.00 0.00 55.95 55.63 3lqa s SER 36 Cb -0.14 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3lqa s SER 36 CO 0.02 -0.26 -0.26 0.26 0.98 0.00 0.00 173.24 173.98 3lqa s TRP 37 N -2.63 2.33 -0.07 5.02 0.52 0.69 -0.74 118.94 124.06 3lqa s TRP 37 Ca 0.09 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.83 3lqa s TRP 37 Cb -0.02 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 3lqa s TRP 37 CO 0.01 -0.04 -0.24 0.71 0.02 0.00 0.00 176.95 177.41 3lqa s TYR 38 N -0.61 2.49 -0.28 -1.98 2.02 0.05 0.92 117.35 119.96 3lqa s TYR 38 Ca 0.10 -0.81 -0.11 0.00 -0.37 0.00 0.00 57.07 55.89 3lqa s TYR 38 Cb -0.10 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 3lqa s TYR 38 CO -0.01 -0.27 0.19 -1.14 -1.57 0.00 0.00 175.55 172.75 3lqa s GLN 39 N -0.02 3.93 -0.23 -0.62 0.74 0.22 -1.09 119.66 122.60 3lqa s GLN 39 Ca -0.08 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.02 3lqa s GLN 39 Cb -0.15 -3.65 0.04 0.00 1.10 0.00 0.00 33.01 30.35 3lqa s GLN 39 CO 0.05 -0.18 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.33 3lqa s GLN 40 N 1.75 2.64 0.77 1.67 0.74 0.56 -2.57 119.66 125.22 3lqa s GLN 40 Ca 0.07 -1.08 -0.11 0.00 0.05 0.00 0.00 55.36 54.29 3lqa s GLN 40 Cb -0.16 -2.78 0.05 0.00 1.10 0.00 0.00 33.01 31.22 3lqa s GLN 40 CO 0.11 -0.40 1.09 -0.51 -0.55 0.00 0.00 175.29 175.03 3lqa s LEU 41 N 1.21 3.04 -0.97 3.68 1.43 -1.26 -0.50 118.68 125.31 3lqa s LEU 41 Ca -0.02 1.82 -0.25 0.00 -1.03 0.00 0.00 54.13 54.64 3lqa s LEU 41 Cb -0.17 -4.52 -0.24 0.00 0.03 0.00 0.00 46.19 41.30 3lqa s LEU 41 CO -0.08 -2.01 2.50 -2.65 0.23 0.00 0.00 176.35 174.34 3lqa n PRO 42 N -3.50 0.00 -1.26 1.29 -0.02 -1.26 -2.18 135.00 128.06 3lqa n PRO 42 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 3lqa n PRO 42 Cb 0.53 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 3lqa n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lqa n GLY 43 N 6.08 1.07 3.74 -1.23 0.00 -1.26 -4.98 105.19 108.61 3lqa n GLY 43 Ca 0.64 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3lqa n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqa s ALA 44 N -2.27 3.43 0.53 4.61 0.00 -0.93 -5.10 121.76 122.03 3lqa s ALA 44 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 3lqa s ALA 44 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 3lqa s ALA 44 CO 0.00 0.17 1.13 0.00 0.00 0.00 0.00 175.76 177.06 3lqa s ALA 45 N -2.30 2.73 0.41 0.00 0.00 -1.26 -4.69 121.76 116.65 3lqa s ALA 45 Ca 0.34 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 3lqa s ALA 45 Cb -0.06 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3lqa s ALA 45 CO 0.23 -0.73 1.22 -2.14 0.00 0.00 0.00 175.76 174.34 3lqa s PRO 46 N -3.22 3.98 0.04 0.00 0.02 -1.26 -4.70 135.00 129.87 3lqa s PRO 46 Ca 0.71 1.97 0.07 0.00 0.02 0.00 0.00 61.00 63.77 3lqa s PRO 46 Cb -0.24 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 3lqa s PRO 46 CO 0.27 -0.42 -0.16 0.21 -0.33 0.00 0.00 177.00 176.57 3lqa s LYS 47 N -2.31 2.13 -0.65 5.54 2.20 -1.06 -4.93 119.74 120.66 3lqa s LYS 47 Ca 0.58 -0.95 -0.26 0.00 -0.36 0.00 0.00 55.97 54.98 3lqa s LYS 47 Cb -0.34 -2.23 0.04 0.00 -1.51 0.00 0.00 37.83 33.79 3lqa s LYS 47 CO 0.42 0.55 1.13 -1.17 -0.36 0.00 0.00 175.35 175.92 3lqa s LEU 48 N -1.47 3.66 0.14 5.43 2.96 -1.26 0.70 118.68 128.84 3lqa s LEU 48 Ca 0.15 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 3lqa s LEU 48 Cb -0.11 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 3lqa s LEU 48 CO 0.06 -1.56 1.47 0.25 -1.32 0.00 0.00 176.35 175.24 3lqa h LEU 49 N 12.05 1.01 -7.73 -0.68 5.85 0.24 -3.45 115.31 122.59 3lqa h LEU 49 Ca -0.27 -0.47 -0.23 0.00 0.84 0.00 0.00 57.88 57.74 3lqa h LEU 49 Cb 1.06 -0.28 -0.28 0.00 0.37 0.00 0.00 40.66 41.52 3lqa h LEU 49 CO 1.20 1.28 -0.72 -0.63 -0.34 0.00 0.00 178.44 179.23 3lqa s ILE 50 N -4.36 0.00 0.06 4.05 1.01 -0.68 -4.54 121.20 116.74 3lqa s ILE 50 Ca -0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3lqa s ILE 50 Cb 0.11 -0.01 -0.03 0.00 0.01 0.00 0.00 42.46 42.54 3lqa s ILE 50 CO 0.88 0.00 0.04 0.72 0.00 0.00 0.00 174.94 176.59 3lqa s PHE 51 N 0.00 0.39 -1.44 3.97 -0.12 -0.48 0.25 117.98 120.56 3lqa s PHE 51 Ca -0.00 -0.89 -0.04 0.00 -0.05 0.00 0.00 56.93 55.95 3lqa s PHE 51 Cb -0.00 -0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.14 3lqa s PHE 51 CO -0.00 -0.43 0.60 -0.25 -0.05 0.00 0.00 175.22 175.09 3lqa n ASP 52 N 0.10 -1.43 0.00 1.98 10.43 -1.20 -0.76 116.55 125.68 3lqa n ASP 52 Ca -0.15 -0.94 0.00 0.00 2.57 0.00 0.00 54.79 56.28 3lqa n ASP 52 Cb 0.61 -3.35 0.00 0.00 1.84 0.00 0.00 41.12 40.22 3lqa n ASP 52 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3lqa n ASP 53 N -2.94 0.00 -0.00 -2.24 8.00 0.04 -3.30 116.55 116.10 3lqa n ASP 53 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3lqa n ASP 53 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3lqa n ASP 53 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3lqa n THR 54 N 0.00 0.99 -3.62 -3.53 -2.24 -1.26 -3.55 114.28 101.08 3lqa n THR 54 Ca 0.00 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.41 3lqa n THR 54 Cb 0.00 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 3lqa n THR 54 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3lqa s GLN 55 N -0.99 3.89 -0.10 -0.78 -1.52 0.06 -4.66 119.66 115.55 3lqa s GLN 55 Ca 0.00 -0.35 -0.20 0.00 -1.95 0.00 0.00 55.36 52.86 3lqa s GLN 55 Cb 0.00 -3.60 -0.04 0.00 -0.22 0.00 0.00 33.01 29.15 3lqa s GLN 55 CO 0.00 -0.19 0.54 0.50 -0.25 0.00 0.00 175.29 175.90 3lqa s ARG 56 N 1.73 4.37 0.76 2.91 3.52 -1.26 -1.38 118.95 129.59 3lqa s ARG 56 Ca 0.07 0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 56.14 3lqa s ARG 56 Cb -0.16 -3.44 0.06 0.00 -1.56 0.00 0.00 34.95 29.85 3lqa s ARG 56 CO 0.10 0.13 1.11 -1.25 -0.81 0.00 0.00 175.30 174.57 3lqa s PRO 57 N 0.68 2.19 0.38 5.12 0.04 -1.26 -5.02 135.00 137.14 3lqa s PRO 57 Ca 0.29 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.10 3lqa s PRO 57 Cb -0.16 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3lqa s PRO 57 CO 0.13 -1.38 1.50 0.45 0.04 0.00 0.00 177.00 177.73 3lqa s SER 58 N -4.52 6.31 0.00 6.66 0.15 -1.26 -3.54 113.70 117.49 3lqa s SER 58 Ca 0.61 3.07 0.00 0.00 0.70 0.00 0.00 55.95 60.33 3lqa s SER 58 Cb -0.11 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3lqa s SER 58 CO 0.48 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3lqa n GLY 59 N 0.44 1.50 3.75 9.45 0.00 -1.26 -5.04 105.19 114.03 3lqa n GLY 59 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3lqa n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lqa s ILE 60 N -2.50 4.09 0.67 -0.61 -1.09 -1.23 -5.05 121.20 115.48 3lqa s ILE 60 Ca 0.00 2.05 -0.05 0.00 -2.23 0.00 0.00 60.65 60.42 3lqa s ILE 60 Cb 0.00 -4.29 0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3lqa s ILE 60 CO 0.00 0.46 0.97 -2.16 -1.23 0.00 0.00 174.94 172.98 3lqa s PRO 61 N -1.27 2.29 0.00 2.79 0.04 -1.26 -4.90 135.00 132.69 3lqa s PRO 61 Ca 0.42 -0.33 0.15 0.00 0.04 0.00 0.00 61.00 61.27 3lqa s PRO 61 Cb -0.25 -2.23 0.70 0.00 0.04 0.00 0.00 34.50 32.76 3lqa s PRO 61 CO 0.31 -1.13 1.44 -0.40 0.04 0.00 0.00 177.00 177.26 3lqa n ASP 62 N -2.81 0.00 -0.38 6.66 5.75 -1.26 -1.23 116.55 123.28 3lqa n ASP 62 Ca 0.08 0.25 -0.02 0.00 -0.01 0.00 0.00 54.79 55.09 3lqa n ASP 62 Cb 0.60 -0.38 0.11 0.00 -1.03 0.00 0.00 41.12 40.43 3lqa n ASP 62 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3lqa h ARG 63 N 0.00 1.32 -6.56 0.11 3.08 -1.90 -3.42 114.38 107.00 3lqa h ARG 63 Ca 0.00 -0.08 -0.52 0.00 0.07 0.00 0.00 59.98 59.45 3lqa h ARG 63 Cb 0.19 -0.30 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3lqa h ARG 63 CO 0.00 0.87 0.46 -0.06 -1.07 0.00 0.00 179.97 180.18 3lqa s PHE 64 N -6.11 3.60 0.05 3.04 0.08 -0.37 -2.97 117.98 115.30 3lqa s PHE 64 Ca -0.13 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.48 3lqa s PHE 64 Cb 0.18 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 3lqa s PHE 64 CO 0.82 -0.55 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.83 3lqa s SER 65 N 0.36 0.46 0.10 1.36 1.04 -0.16 -4.96 113.70 111.90 3lqa s SER 65 Ca 0.52 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3lqa s SER 65 Cb -0.27 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3lqa s SER 65 CO 0.32 -0.61 -0.08 -0.83 0.98 0.00 0.00 173.24 173.01 3lqa s GLY 66 N -2.92 0.81 0.05 7.32 0.00 -1.26 -1.37 107.32 109.95 3lqa s GLY 66 Ca 0.07 -1.26 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 3lqa s GLY 66 CO -0.10 -1.35 0.23 -1.35 0.00 0.00 0.00 173.10 170.53 3lqa s SER 67 N -2.73 -0.01 -0.01 1.64 1.04 -0.83 -4.61 113.70 108.19 3lqa s SER 67 Ca 0.08 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 3lqa s SER 67 Cb 0.01 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3lqa s SER 67 CO -0.02 -0.59 0.02 -0.75 0.98 0.00 0.00 173.24 172.88 3lqa s LYS 68 N -2.67 -0.01 -0.05 4.02 2.20 -1.26 -1.77 119.74 120.20 3lqa s LYS 68 Ca -0.04 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.34 3lqa s LYS 68 Cb -0.01 -0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.28 3lqa s LYS 68 CO -0.04 -0.07 0.68 0.45 -0.36 0.00 0.00 175.35 176.01 3lqa s SER 69 N 0.45 -0.66 0.65 1.43 0.15 -0.96 -5.01 113.70 109.74 3lqa s SER 69 Ca -0.04 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.33 3lqa s SER 69 Cb -0.05 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3lqa s SER 69 CO -0.01 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.43 3lqa n GLY 70 N 0.91 2.31 1.67 9.45 0.00 -1.26 -2.39 105.19 115.88 3lqa n GLY 70 Ca -0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3lqa n GLY 70 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3lqa n THR 71 N 0.00 2.85 -4.07 2.61 5.66 -1.26 -4.57 114.28 115.49 3lqa n THR 71 Ca 0.00 -2.28 -0.07 0.00 -3.05 0.00 0.00 64.05 58.64 3lqa n THR 71 Cb 0.00 -0.38 -0.10 0.00 -1.55 0.00 0.00 70.33 68.29 3lqa n THR 71 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3lqa s SER 72 N -1.88 0.46 0.04 1.09 1.04 -1.01 -1.08 113.70 112.37 3lqa s SER 72 Ca 0.51 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 56.04 3lqa s SER 72 Cb 0.44 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 3lqa s SER 72 CO 0.06 -0.55 -0.09 0.00 0.98 0.00 0.00 173.24 173.64 3lqa s ALA 73 N -3.52 0.69 -0.10 5.32 0.00 -0.58 -2.27 121.76 121.30 3lqa s ALA 73 Ca 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3lqa s ALA 73 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3lqa s ALA 73 CO -0.08 0.05 -0.24 0.99 0.00 0.00 0.00 175.76 176.47 3lqa s THR 74 N -1.14 2.06 -0.18 0.00 2.01 -0.73 -1.89 115.64 115.78 3lqa s THR 74 Ca -0.06 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.84 3lqa s THR 74 Cb -0.09 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3lqa s THR 74 CO 0.01 0.56 0.10 -0.22 -0.69 0.00 0.00 174.62 174.38 3lqa s LEU 75 N 0.34 4.09 -0.07 4.42 2.96 -0.46 -1.97 118.68 127.99 3lqa s LEU 75 Ca -0.19 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3lqa s LEU 75 Cb -0.18 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3lqa s LEU 75 CO 0.09 0.22 -0.25 0.00 -1.32 0.00 0.00 176.35 175.10 3lqa s ALA 76 N 0.08 2.17 -0.10 5.97 0.00 -0.47 -2.39 121.76 127.02 3lqa s ALA 76 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3lqa s ALA 76 Cb -0.12 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 3lqa s ALA 76 CO -0.00 0.39 -0.24 0.42 0.00 0.00 0.00 175.76 176.33 3lqa s ILE 77 N -0.06 2.06 0.10 0.00 1.01 -1.10 -0.99 121.20 122.22 3lqa s ILE 77 Ca -0.07 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.63 3lqa s ILE 77 Cb -0.15 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3lqa s ILE 77 CO 0.05 0.56 -0.17 0.42 0.00 0.00 0.00 174.94 175.80 3lqa s THR 78 N 0.34 1.46 -0.74 2.92 -4.23 -1.16 -2.58 115.64 111.65 3lqa s THR 78 Ca -0.19 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3lqa s THR 78 Cb -0.18 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3lqa s THR 78 CO 0.09 -0.20 0.43 0.61 -0.54 0.00 0.00 174.62 175.01 3lqa n GLY 79 N 0.99 0.13 3.78 3.99 0.00 -1.11 -4.81 105.19 108.16 3lqa n GLY 79 Ca -0.19 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3lqa n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lqa s LEU 80 N -3.84 4.31 0.21 0.99 2.96 -1.14 -4.84 118.68 117.33 3lqa s LEU 80 Ca 0.21 3.08 0.08 0.00 -0.22 0.00 0.00 54.13 57.28 3lqa s LEU 80 Cb -0.09 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 3lqa s LEU 80 CO 0.26 -0.90 0.05 -1.10 -1.32 0.00 0.00 176.35 173.34 3lqa s GLN 81 N -2.07 2.51 0.25 1.98 -0.21 -1.26 -4.02 119.66 116.84 3lqa s GLN 81 Ca 0.53 -1.16 -0.06 0.00 0.02 0.00 0.00 55.36 54.70 3lqa s GLN 81 Cb -0.47 -2.37 0.27 0.00 1.00 0.00 0.00 33.01 31.44 3lqa s GLN 81 CO 0.64 0.42 1.93 1.79 -2.12 0.00 0.00 175.29 177.95 3lqa h THR 82 N 2.10 1.26 -0.40 -0.19 1.35 -1.93 -2.62 112.91 112.48 3lqa h THR 82 Ca -0.47 -0.47 0.07 0.00 -0.55 0.00 0.00 66.41 64.99 3lqa h THR 82 Cb 1.22 -0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 3lqa h THR 82 CO 0.60 0.25 0.27 1.23 -0.25 0.00 0.00 175.52 177.61 3lqa h GLY 83 N 1.35 0.32 2.00 5.82 0.00 -2.00 -2.78 103.07 107.78 3lqa h GLY 83 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3lqa h GLY 83 CO -0.08 0.08 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3lqa n ASP 84 N -4.47 0.16 -4.76 0.19 8.00 -0.99 -4.78 116.55 109.91 3lqa n ASP 84 Ca 0.05 0.54 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 3lqa n ASP 84 Cb 0.29 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 3lqa n ASP 84 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3lqa n GLU 85 N -1.69 2.74 -3.50 -1.24 2.13 -1.05 -4.88 120.64 113.16 3lqa n GLU 85 Ca 0.03 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.82 3lqa n GLU 85 Cb 0.17 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.13 3lqa n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3lqa n ALA 86 N 1.69 0.00 -3.17 4.31 0.00 -1.24 -4.78 120.51 117.32 3lqa n ALA 86 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 3lqa n ALA 86 Cb 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 3lqa n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lqa s ASP 87 N -4.00 3.09 -0.10 0.00 1.01 0.34 -2.44 116.67 114.58 3lqa s ASP 87 Ca 0.00 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.70 3lqa s ASP 87 Cb 0.00 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.54 3lqa s ASP 87 CO 0.00 0.17 -0.06 -0.31 0.21 0.00 0.00 175.17 175.17 3lqa s TYR 88 N 0.29 2.96 -0.02 4.23 2.02 -0.53 -0.32 117.35 125.97 3lqa s TYR 88 Ca -0.17 -0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.47 3lqa s TYR 88 Cb -0.18 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3lqa s TYR 88 CO 0.08 0.17 -0.26 0.71 -1.57 0.00 0.00 175.55 174.69 3lqa s TYR 89 N -0.34 2.33 -0.23 2.71 2.02 -0.25 -2.29 117.35 121.30 3lqa s TYR 89 Ca 0.05 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 3lqa s TYR 89 Cb -0.12 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3lqa s TYR 89 CO 0.02 -0.04 0.10 0.00 -1.57 0.00 0.00 175.55 174.07 3lqa s GLY 91 N 1.02 1.69 0.02 0.00 0.00 0.08 -2.44 107.32 107.70 3lqa s GLY 91 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3lqa s GLY 91 CO 0.04 -0.28 -0.04 -1.08 0.00 0.00 0.00 173.10 171.74 3lqa s THR 92 N -0.04 0.16 -0.12 0.90 -1.32 -1.03 -0.67 115.64 113.53 3lqa s THR 92 Ca 0.00 -0.93 -0.07 0.00 -1.21 0.00 0.00 61.69 59.48 3lqa s THR 92 Cb -0.13 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 3lqa s THR 92 CO 0.03 -0.49 0.14 0.86 -2.21 0.00 0.00 174.62 172.95 3lqa s TRP 93 N -1.46 3.60 -0.10 9.09 -0.00 -1.24 -1.78 118.94 127.05 3lqa s TRP 93 Ca -0.15 0.53 0.04 0.00 -0.00 0.00 0.00 56.10 56.52 3lqa s TRP 93 Cb -0.10 -1.94 -0.00 0.00 -0.00 0.00 0.00 33.47 31.43 3lqa s TRP 93 CO -0.01 0.74 -0.24 0.34 -0.00 0.00 0.00 176.95 177.78 3lqa s ASP 94 N -1.02 3.13 0.16 5.86 3.68 0.35 -4.66 116.67 124.17 3lqa s ASP 94 Ca 0.15 -0.55 -0.10 0.00 2.13 0.00 0.00 52.55 54.18 3lqa s ASP 94 Cb -0.12 -1.42 0.01 0.00 -1.45 0.00 0.00 42.92 39.94 3lqa s ASP 94 CO 0.04 0.16 1.56 0.77 0.13 0.00 0.00 175.17 177.83 3lqa h SER 95 N 6.71 1.04 -4.24 -0.34 4.64 -1.82 -3.16 113.55 116.38 3lqa h SER 95 Ca -0.19 -0.38 -0.51 0.00 -0.47 0.00 0.00 61.79 60.23 3lqa h SER 95 Cb 1.24 -0.29 0.11 0.00 -0.31 0.00 0.00 62.40 63.15 3lqa h SER 95 CO 0.47 1.19 0.36 -0.94 -0.87 0.00 0.00 176.83 177.04 3lqa s SER 96 N -6.71 4.96 0.50 4.97 1.04 -1.25 -4.82 113.70 112.39 3lqa s SER 96 Ca -0.11 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.24 3lqa s SER 96 Cb 0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3lqa s SER 96 CO 0.87 -1.73 0.00 -0.11 0.98 0.00 0.00 173.24 173.25 3lqa n LEU 97 N -2.76 0.00 -0.34 2.42 0.00 -1.26 -2.81 117.00 112.25 3lqa n LEU 97 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.07 3lqa n LEU 97 Cb 0.52 0.00 0.09 0.00 0.00 0.00 0.00 43.42 44.03 3lqa n LEU 97 CO 0.50 -0.25 1.19 0.28 0.00 0.00 0.00 177.39 179.11 3lqa h SER 98 N 0.00 1.13 0.00 1.96 0.02 -1.95 -3.44 113.55 111.28 3lqa h SER 98 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3lqa h SER 98 Cb 0.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.25 3lqa h SER 98 CO 0.00 0.90 1.00 0.35 -1.14 0.00 0.00 176.83 177.94 3lqa n THR 99 N -4.34 0.00 -4.53 -2.27 -2.24 -1.13 -4.92 114.28 94.86 3lqa n THR 99 Ca 0.10 1.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.88 3lqa n THR 99 Cb 0.09 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 3lqa n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lqa n GLY 100 N -1.50 0.35 3.78 3.38 0.00 -1.20 -4.78 105.19 105.22 3lqa n GLY 100 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 3lqa n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lqa s GLN 101 N 0.00 4.17 0.02 1.61 2.00 -1.26 -0.49 119.66 125.71 3lqa s GLN 101 Ca 0.00 2.48 0.01 0.00 -2.00 0.00 0.00 55.36 55.85 3lqa s GLN 101 Cb 0.00 -2.99 -0.01 0.00 0.80 0.00 0.00 33.01 30.80 3lqa s GLN 101 CO 0.00 -0.44 -0.04 -0.51 -0.50 0.00 0.00 175.29 173.80 3lqa s LEU 102 N -2.02 2.14 -0.02 3.68 1.43 -0.73 -4.81 118.68 118.36 3lqa s LEU 102 Ca 0.52 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 3lqa s LEU 102 Cb -0.45 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 3lqa s LEU 102 CO 0.60 -0.14 -0.26 -0.36 0.23 0.00 0.00 176.35 176.43 3lqa s PHE 103 N -0.85 2.33 0.88 0.29 0.08 -1.26 -2.45 117.98 117.00 3lqa s PHE 103 Ca -0.07 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.41 3lqa s PHE 103 Cb -0.06 -1.49 0.13 0.00 -0.57 0.00 0.00 43.02 41.03 3lqa s PHE 103 CO -0.00 -0.03 1.21 0.20 -0.10 0.00 0.00 175.22 176.49 3lqa s GLY 104 N -0.64 1.64 0.25 4.36 0.00 -1.02 -4.40 107.32 107.51 3lqa s GLY 104 Ca 0.10 -0.78 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 3lqa s GLY 104 CO -0.01 -0.19 1.93 -1.33 0.00 0.00 0.00 173.10 173.50 3lqa h GLY 105 N -1.35 1.42 0.00 0.20 0.00 -1.91 -3.44 103.07 97.99 3lqa h GLY 105 Ca -0.46 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3lqa h GLY 105 CO 0.57 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.24 3lqa n GLY 106 N -1.38 1.69 3.17 4.60 0.00 -1.26 -5.00 105.19 107.01 3lqa n GLY 106 Ca 0.12 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 3lqa n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lqa s THR 107 N -2.17 0.96 -0.17 2.61 -4.23 -0.97 -4.43 115.64 107.24 3lqa s THR 107 Ca 0.00 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 58.88 3lqa s THR 107 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 3lqa s THR 107 CO 0.00 -0.51 0.01 -0.54 -0.54 0.00 0.00 174.62 173.04 3lqa s LYS 108 N -2.62 3.80 -0.06 3.99 3.01 -1.19 -1.46 119.74 125.21 3lqa s LYS 108 Ca 0.04 -0.44 0.02 0.00 -1.01 0.00 0.00 55.97 54.59 3lqa s LYS 108 Cb -0.04 -3.04 -0.03 0.00 -1.01 0.00 0.00 37.83 33.71 3lqa s LYS 108 CO 0.00 0.27 -0.11 -1.17 0.51 0.00 0.00 175.35 174.86 3lqa s LEU 109 N 0.33 2.95 0.03 3.17 2.96 -1.02 -2.63 118.68 124.47 3lqa s LEU 109 Ca -0.01 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3lqa s LEU 109 Cb -0.13 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3lqa s LEU 109 CO 0.02 0.35 -0.06 0.28 -1.32 0.00 0.00 176.35 175.62 3lqa s THR 110 N -0.77 0.39 0.13 3.68 -1.32 -0.43 -3.68 115.64 113.64 3lqa s THR 110 Ca 0.12 -1.02 0.11 0.00 -1.21 0.00 0.00 61.69 59.69 3lqa s THR 110 Cb -0.11 -0.49 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 3lqa s THR 110 CO 0.01 -0.42 -0.27 0.68 -2.21 0.00 0.00 174.62 172.41 3lqa s VAL 111 N -1.41 2.26 -0.28 5.08 -7.23 -1.26 -2.35 120.40 115.21 3lqa s VAL 111 Ca -0.12 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3lqa s VAL 111 Cb -0.10 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 3lqa s VAL 111 CO -0.00 0.08 0.19 -0.76 -0.31 0.00 0.00 175.10 174.30 3lqa s LEU 112 N -2.08 4.02 0.00 1.32 1.02 -0.70 -4.88 118.68 117.38 3lqa s LEU 112 Ca 0.14 -0.00 0.18 0.00 0.02 0.00 0.00 54.13 54.47 3lqa s LEU 112 Cb -0.10 -2.12 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 3lqa s LEU 112 CO 0.06 -0.05 0.92 0.61 0.02 0.00 0.00 176.35 177.91 3lqa n GLY 113 N 5.03 -0.05 3.30 -3.19 0.00 -1.26 -4.60 105.19 104.41 3lqa n GLY 113 Ca -0.14 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 3lqa n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lqa s GLN 114 N -2.12 1.21 0.59 1.61 -0.21 -1.26 -5.14 119.66 114.34 3lqa s GLN 114 Ca 0.15 -1.56 -0.15 0.00 0.02 0.00 0.00 55.36 53.82 3lqa s GLN 114 Cb 0.15 -0.75 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 3lqa s GLN 114 CO 0.47 0.05 1.04 -1.25 -2.12 0.00 0.00 175.29 173.49 3lqa s PRO 115 N -3.75 3.41 0.36 2.91 0.04 -1.26 -4.92 135.00 131.78 3lqa s PRO 115 Ca 0.22 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 3lqa s PRO 115 Cb 0.03 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 3lqa s PRO 115 CO 0.05 -0.73 1.53 1.17 0.04 0.00 0.00 177.00 179.06 3lqa n LYS 116 N -2.09 2.72 -4.99 4.56 4.81 -1.26 -4.87 118.16 117.04 3lqa n LYS 116 Ca 0.08 0.96 -0.29 0.00 -0.87 0.00 0.00 58.31 58.19 3lqa n LYS 116 Cb 0.53 -2.71 -0.17 0.00 0.02 0.00 0.00 35.03 32.70 3lqa n LYS 116 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lqa s ALA 117 N -0.79 1.84 0.54 3.14 0.00 -1.08 -4.95 121.76 120.46 3lqa s ALA 117 Ca 0.56 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.56 3lqa s ALA 117 Cb -0.47 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 3lqa s ALA 117 CO 0.59 0.23 1.12 0.00 0.00 0.00 0.00 175.76 177.71 3lqa s ALA 118 N 0.45 2.71 0.49 0.00 0.00 -1.26 -2.92 121.76 121.23 3lqa s ALA 118 Ca -0.17 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 3lqa s ALA 118 Cb -0.17 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3lqa s ALA 118 CO 0.07 -0.74 1.00 -1.25 0.00 0.00 0.00 175.76 174.84 3lqa s PRO 119 N -3.28 3.89 -0.11 0.00 0.04 -1.26 -4.10 135.00 130.17 3lqa s PRO 119 Ca 0.72 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.98 3lqa s PRO 119 Cb -0.23 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3lqa s PRO 119 CO 0.26 -0.33 -0.23 0.45 0.04 0.00 0.00 177.00 177.19 3lqa s SER 120 N -2.39 3.10 -0.10 6.66 0.15 0.10 -4.90 113.70 116.32 3lqa s SER 120 Ca 0.63 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.75 3lqa s SER 120 Cb -0.13 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 3lqa s SER 120 CO 0.23 0.14 -0.24 -0.69 1.20 0.00 0.00 173.24 173.87 3lqa s VAL 121 N 0.48 2.05 0.02 4.45 1.01 -1.26 -0.23 120.40 126.93 3lqa s VAL 121 Ca -0.15 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.86 3lqa s VAL 121 Cb -0.17 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3lqa s VAL 121 CO 0.06 0.56 -0.14 0.42 0.00 0.00 0.00 175.10 175.99 3lqa s THR 122 N 0.34 1.12 -0.02 3.92 -4.23 -0.74 -4.97 115.64 111.07 3lqa s THR 122 Ca -0.19 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3lqa s THR 122 Cb -0.18 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 3lqa s THR 122 CO 0.09 0.13 -0.26 -0.22 -0.54 0.00 0.00 174.62 173.82 3lqa s LEU 123 N -0.83 2.05 0.12 4.79 0.20 -1.26 -1.88 118.68 121.88 3lqa s LEU 123 Ca 0.03 -0.47 0.10 0.00 0.69 0.00 0.00 54.13 54.48 3lqa s LEU 123 Cb -0.07 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 3lqa s LEU 123 CO 0.01 0.32 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.79 3lqa s PHE 124 N -0.59 2.40 0.69 5.38 0.08 0.25 -4.97 117.98 121.23 3lqa s PHE 124 Ca 0.09 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 3lqa s PHE 124 Cb -0.10 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3lqa s PHE 124 CO -0.01 0.36 1.06 -1.25 -0.10 0.00 0.00 175.22 175.28 3lqa s PRO 125 N -2.09 2.97 0.49 0.24 0.04 -1.26 -0.22 135.00 135.17 3lqa s PRO 125 Ca 0.16 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 3lqa s PRO 125 Cb -0.10 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 3lqa s PRO 125 CO 0.08 -1.07 1.17 -2.14 0.04 0.00 0.00 177.00 175.07 3lqa s PRO 126 N -5.05 3.57 0.54 0.56 0.02 -1.25 -4.61 135.00 128.77 3lqa s PRO 126 Ca 0.58 1.76 -0.19 0.00 0.02 0.00 0.00 61.00 63.16 3lqa s PRO 126 Cb -0.14 -2.26 -0.06 0.00 0.02 0.00 0.00 34.50 32.06 3lqa s PRO 126 CO 0.55 -0.71 1.12 -1.12 -0.33 0.00 0.00 177.00 176.52 3lqa s SER 127 N -1.46 5.75 0.20 2.53 0.01 -1.26 -4.93 113.70 114.54 3lqa s SER 127 Ca 0.67 2.16 -0.08 0.00 1.31 0.00 0.00 55.95 60.01 3lqa s SER 127 Cb -0.28 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.49 3lqa s SER 127 CO 0.33 -1.20 1.72 0.77 0.41 0.00 0.00 173.24 175.28 3lqa h SER 128 N 1.21 1.09 -0.91 2.44 4.64 -2.00 -2.22 113.55 117.81 3lqa h SER 128 Ca -0.50 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 60.58 3lqa h SER 128 Cb 1.26 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 3lqa h SER 128 CO 0.57 1.04 0.50 -0.33 -0.87 0.00 0.00 176.83 177.74 3lqa h GLU 129 N 1.10 1.27 -0.79 4.77 5.08 -1.98 -2.12 114.58 121.90 3lqa h GLU 129 Ca 0.23 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3lqa h GLU 129 Cb 0.36 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3lqa h GLU 129 CO -0.00 0.92 0.30 1.49 -1.00 0.00 0.00 179.01 180.72 3lqa h GLU 130 N 1.27 1.19 -1.01 2.33 4.81 -1.74 -0.48 114.58 120.95 3lqa h GLU 130 Ca 0.32 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3lqa h GLU 130 Cb 0.02 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 3lqa h GLU 130 CO -0.05 0.97 0.67 -0.07 -0.73 0.00 0.00 179.01 179.80 3lqa h LEU 131 N 1.16 1.16 -1.01 1.64 4.07 -0.81 -1.31 115.31 120.20 3lqa h LEU 131 Ca 0.26 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.20 3lqa h LEU 131 Cb 0.24 -0.29 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 3lqa h LEU 131 CO -0.02 0.84 0.67 -0.61 -1.08 0.00 0.00 178.44 178.24 3lqa h GLN 132 N 1.37 1.32 -0.08 1.13 5.75 -0.88 0.27 115.11 124.00 3lqa h GLN 132 Ca 0.37 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3lqa h GLN 132 Cb -0.16 -0.30 0.00 0.00 1.07 0.00 0.00 27.48 28.09 3lqa h GLN 132 CO -0.08 0.88 0.00 0.00 -2.65 0.00 0.00 178.83 176.98 3lqa n ALA 133 N -2.38 2.56 -3.60 3.38 0.00 -0.24 -4.96 120.51 115.27 3lqa n ALA 133 Ca 0.12 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 3lqa n ALA 133 Cb 0.01 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.37 3lqa n ALA 133 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3lqa n ASN 134 N -0.30 -6.40 -3.99 0.00 5.15 0.96 -5.07 115.26 105.61 3lqa n ASN 134 Ca 0.13 -0.54 -0.10 0.00 -0.60 0.00 0.00 54.58 53.47 3lqa n ASN 134 Cb 0.16 -5.04 -0.11 0.00 -0.53 0.00 0.00 39.78 34.26 3lqa n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3lqa s LYS 135 N -6.32 0.35 -0.04 1.20 1.02 -0.87 -4.79 119.74 110.30 3lqa s LYS 135 Ca 0.59 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 55.94 3lqa s LYS 135 Cb -0.26 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.12 3lqa s LYS 135 CO 0.73 -0.03 0.01 0.00 -0.92 0.00 0.00 175.35 175.14 3lqa s ALA 136 N -1.45 0.34 -0.10 5.17 0.00 -1.08 -3.15 121.76 121.49 3lqa s ALA 136 Ca -0.15 0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3lqa s ALA 136 Cb -0.10 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3lqa s ALA 136 CO -0.01 -0.22 -0.24 0.99 0.00 0.00 0.00 175.76 176.29 3lqa s THR 137 N 1.39 2.07 -0.08 0.00 2.01 -1.26 -1.84 115.64 117.94 3lqa s THR 137 Ca -0.05 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 60.84 3lqa s THR 137 Cb -0.13 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3lqa s THR 137 CO -0.03 0.56 0.23 -0.76 -0.69 0.00 0.00 174.62 173.93 3lqa s LEU 138 N 0.34 4.42 -0.11 4.42 1.02 0.38 -3.95 118.68 125.20 3lqa s LEU 138 Ca -0.19 0.62 0.03 0.00 0.02 0.00 0.00 54.13 54.62 3lqa s LEU 138 Cb -0.18 -2.25 -0.00 0.00 0.02 0.00 0.00 46.19 43.78 3lqa s LEU 138 CO 0.09 0.38 -0.22 -0.69 0.02 0.00 0.00 176.35 175.93 3lqa s VAL 139 N -1.05 2.28 -0.15 -1.59 1.01 0.69 -2.95 120.40 118.64 3lqa s VAL 139 Ca 0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3lqa s VAL 139 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3lqa s VAL 139 CO 0.07 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.67 3lqa s LEU 141 N 0.42 2.98 -0.18 0.00 1.43 -0.79 -1.66 118.68 120.88 3lqa s LEU 141 Ca -0.05 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3lqa s LEU 141 Cb -0.15 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3lqa s LEU 141 CO 0.03 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.97 3lqa s ILE 142 N 0.27 2.05 0.05 -0.59 -1.09 -0.67 -1.80 121.20 119.43 3lqa s ILE 142 Ca -0.06 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.40 3lqa s ILE 142 Cb -0.15 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.85 3lqa s ILE 142 CO 0.04 0.54 0.00 -0.94 -1.23 0.00 0.00 174.94 173.35 3lqa s SER 143 N 1.29 0.43 -1.36 3.58 1.04 0.68 -0.45 113.70 118.91 3lqa s SER 143 Ca 0.05 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.46 3lqa s SER 143 Cb -0.13 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3lqa s SER 143 CO -0.13 -0.61 1.19 0.47 0.98 0.00 0.00 173.24 175.14 3lqa n ASP 144 N 0.13 -6.37 -4.23 7.02 10.43 -1.19 0.03 116.55 122.37 3lqa n ASP 144 Ca -0.14 -0.54 -0.17 0.00 2.57 0.00 0.00 54.79 56.51 3lqa n ASP 144 Cb 0.61 -5.04 -0.11 0.00 1.84 0.00 0.00 41.12 38.42 3lqa n ASP 144 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3lqa s PHE 145 N -3.32 1.32 0.03 1.24 -0.12 0.69 -4.58 117.98 113.25 3lqa s PHE 145 Ca 0.59 -0.60 -0.00 0.00 -0.05 0.00 0.00 56.93 56.86 3lqa s PHE 145 Cb -0.26 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.41 3lqa s PHE 145 CO 0.73 0.11 -0.03 -0.47 -0.05 0.00 0.00 175.22 175.52 3lqa s TYR 146 N -2.35 0.35 1.03 3.49 5.04 -1.15 0.63 117.35 124.40 3lqa s TYR 146 Ca 0.09 -0.73 -0.12 0.00 -2.44 0.00 0.00 57.07 53.87 3lqa s TYR 146 Cb -0.04 -0.26 0.21 0.00 0.35 0.00 0.00 41.96 42.22 3lqa s TYR 146 CO 0.02 -0.26 1.08 -2.14 -1.34 0.00 0.00 175.55 172.91 3lqa s PRO 147 N -2.38 0.13 0.25 4.97 0.02 -1.26 -2.63 135.00 134.10 3lqa s PRO 147 Ca -0.07 0.59 -0.06 0.00 0.02 0.00 0.00 61.00 61.47 3lqa s PRO 147 Cb -0.03 -1.70 0.25 0.00 0.02 0.00 0.00 34.50 33.04 3lqa s PRO 147 CO -0.04 -2.95 1.92 0.78 -0.33 0.00 0.00 177.00 176.38 3lqa h GLY 148 N -2.05 1.38 -4.62 0.52 0.00 -1.95 -3.45 103.07 92.90 3lqa h GLY 148 Ca -0.56 -0.52 -0.52 0.00 0.00 0.00 0.00 47.33 45.73 3lqa h GLY 148 CO 0.56 0.51 0.92 0.00 0.00 0.00 0.00 176.54 178.53 3lqa s ALA 149 N -6.12 3.83 0.01 3.60 0.00 -1.26 -4.68 121.76 117.13 3lqa s ALA 149 Ca -0.13 1.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 3lqa s ALA 149 Cb 0.18 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3lqa s ALA 149 CO 0.82 -0.82 0.09 0.54 0.00 0.00 0.00 175.76 176.39 3lqa s VAL 150 N 1.16 0.09 -0.01 0.00 0.11 -1.26 -4.75 120.40 115.74 3lqa s VAL 150 Ca 0.71 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 3lqa s VAL 150 Cb -0.45 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3lqa s VAL 150 CO 0.31 -0.41 -0.13 0.28 -3.33 0.00 0.00 175.10 171.82 3lqa s THR 151 N -1.41 1.02 0.17 5.04 -1.32 -1.20 -4.88 115.64 113.05 3lqa s THR 151 Ca -0.15 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 59.83 3lqa s THR 151 Cb -0.08 -0.85 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 3lqa s THR 151 CO 0.01 0.29 -0.12 0.68 -2.21 0.00 0.00 174.62 173.27 3lqa s VAL 152 N -0.30 1.35 0.08 5.08 -7.23 -1.26 -1.69 120.40 116.43 3lqa s VAL 152 Ca 0.05 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 57.96 3lqa s VAL 152 Cb -0.05 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.00 3lqa s VAL 152 CO -0.00 -0.70 0.34 0.00 -0.31 0.00 0.00 175.10 174.43 3lqa s ALA 153 N -3.21 -0.75 -0.02 1.32 0.00 -1.04 -5.01 121.76 113.04 3lqa s ALA 153 Ca 0.19 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.15 3lqa s ALA 153 Cb 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 3lqa s ALA 153 CO 0.03 -0.53 -0.26 -1.58 0.00 0.00 0.00 175.76 173.42 3lqa s TRP 154 N -3.28 2.33 -0.03 0.00 0.52 -1.26 -1.85 118.94 115.37 3lqa s TRP 154 Ca -0.00 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.69 3lqa s TRP 154 Cb 0.01 -1.50 0.03 0.00 -1.15 0.00 0.00 33.47 30.86 3lqa s TRP 154 CO -0.08 -0.04 -0.01 0.21 0.02 0.00 0.00 176.95 177.06 3lqa s LYS 155 N -0.62 0.37 -0.28 4.98 2.20 0.61 -2.15 119.74 124.86 3lqa s LYS 155 Ca 0.10 0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.65 3lqa s LYS 155 Cb -0.10 -0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 35.65 3lqa s LYS 155 CO -0.01 -0.12 0.19 0.00 -0.36 0.00 0.00 175.35 175.05 3lqa s ALA 156 N 0.98 3.53 -1.62 3.13 0.00 -1.00 -0.66 121.76 126.12 3lqa s ALA 156 Ca -0.10 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 3lqa s ALA 156 Cb -0.14 -2.47 0.12 0.00 0.00 0.00 0.00 23.12 20.63 3lqa s ALA 156 CO -0.01 -0.54 0.89 -0.25 0.00 0.00 0.00 175.76 175.85 3lqa n ASP 157 N 5.03 -4.07 -3.90 0.00 10.43 -1.22 -0.58 116.55 122.24 3lqa n ASP 157 Ca -0.14 -0.89 -0.31 0.00 2.57 0.00 0.00 54.79 56.01 3lqa n ASP 157 Cb 0.52 -3.33 -0.00 0.00 1.84 0.00 0.00 41.12 40.15 3lqa n ASP 157 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3lqa n SER 158 N -2.75 -4.05 -4.06 -2.24 7.64 -1.26 -4.95 113.62 101.95 3lqa n SER 158 Ca 0.06 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.84 3lqa n SER 158 Cb 0.51 -3.28 -0.15 0.00 -1.01 0.00 0.00 64.21 60.28 3lqa n SER 158 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3lqa s SER 159 N -3.15 4.40 0.09 6.43 0.15 0.25 -5.10 113.70 116.77 3lqa s SER 159 Ca 0.64 -1.38 -0.36 0.00 0.70 0.00 0.00 55.95 55.55 3lqa s SER 159 Cb -0.34 -1.52 -0.17 0.00 -1.71 0.00 0.00 66.02 62.28 3lqa s SER 159 CO 0.79 -0.19 1.16 -0.81 1.20 0.00 0.00 173.24 175.38 3lqa n PRO 160 N 4.45 0.73 -4.07 5.44 -0.04 -1.26 -2.37 135.00 137.87 3lqa n PRO 160 Ca -0.14 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 3lqa n PRO 160 Cb 0.42 -1.78 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 3lqa n PRO 160 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3lqa s VAL 161 N 0.06 2.38 -2.98 0.52 1.01 -0.91 -4.89 120.40 115.59 3lqa s VAL 161 Ca 0.82 -0.83 0.24 0.00 0.00 0.00 0.00 61.98 62.21 3lqa s VAL 161 Cb -1.02 -2.02 0.19 0.00 0.00 0.00 0.00 36.38 33.52 3lqa s VAL 161 CO 0.52 0.51 1.26 2.29 0.00 0.00 0.00 175.10 179.68 3lqa n LYS 162 N 4.66 2.31 -3.76 2.72 2.85 -1.26 -4.49 118.16 121.19 3lqa n LYS 162 Ca -0.20 -1.92 -0.37 0.00 -1.05 0.00 0.00 58.31 54.77 3lqa n LYS 162 Cb 0.50 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 3lqa n LYS 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3lqa s ALA 163 N -2.00 3.82 -0.64 0.58 0.00 -1.26 -4.43 121.76 117.83 3lqa s ALA 163 Ca 0.28 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3lqa s ALA 163 Cb 0.20 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3lqa s ALA 163 CO 0.30 0.58 0.00 0.41 0.00 0.00 0.00 175.76 177.05 3lqa n GLY 164 N 1.92 0.10 3.22 0.00 0.00 -1.26 -4.95 105.19 104.23 3lqa n GLY 164 Ca -0.18 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3lqa n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lqa s VAL 165 N -2.37 2.09 -0.02 1.61 1.01 -1.26 -3.08 120.40 118.38 3lqa s VAL 165 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.05 3lqa s VAL 165 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3lqa s VAL 165 CO 0.00 0.56 -0.26 -1.61 0.00 0.00 0.00 175.10 173.79 3lqa s GLU 166 N 0.37 2.11 -0.01 2.72 0.41 -1.18 -5.05 118.70 118.06 3lqa s GLU 166 Ca -0.18 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 53.49 3lqa s GLU 166 Cb -0.18 -2.04 -0.01 0.00 -1.78 0.00 0.00 34.13 30.12 3lqa s GLU 166 CO 0.08 0.56 -0.13 0.99 -0.49 0.00 0.00 175.26 176.28 3lqa s THR 167 N -0.61 1.01 0.11 3.63 2.01 -1.26 -2.63 115.64 117.89 3lqa s THR 167 Ca 0.10 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 3lqa s THR 167 Cb -0.10 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 3lqa s THR 167 CO -0.01 0.29 0.75 0.42 -0.69 0.00 0.00 174.62 175.38 3lqa s THR 168 N -0.27 4.55 0.54 -0.82 -4.23 0.00 -5.02 115.64 110.39 3lqa s THR 168 Ca 0.04 1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 61.99 3lqa s THR 168 Cb -0.05 -4.11 -0.06 0.00 1.34 0.00 0.00 72.50 69.62 3lqa s THR 168 CO -0.00 0.46 1.12 0.42 -0.54 0.00 0.00 174.62 176.08 3lqa s THR 169 N -0.67 3.20 0.30 3.99 -4.23 -1.26 -4.38 115.64 112.59 3lqa s THR 169 Ca 0.36 0.75 -0.14 0.00 -1.18 0.00 0.00 61.69 61.48 3lqa s THR 169 Cb -0.22 -3.30 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 3lqa s THR 169 CO 0.24 -0.16 0.01 -2.65 -0.54 0.00 0.00 174.62 171.52 3lqa n PRO 170 N -1.28 0.00 -4.16 3.99 -0.02 -1.26 -4.91 135.00 127.36 3lqa n PRO 170 Ca 0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.43 3lqa n PRO 170 Cb 0.51 -0.69 -0.12 0.00 -0.02 0.00 0.00 33.50 33.18 3lqa n PRO 170 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3lqa s SER 171 N -0.69 1.51 0.61 2.55 0.01 -0.69 -5.00 113.70 111.99 3lqa s SER 171 Ca 0.40 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 3lqa s SER 171 Cb -0.41 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 3lqa s SER 171 CO 0.44 -0.14 1.03 -0.54 0.41 0.00 0.00 173.24 174.44 3lqa s LYS 172 N -2.01 3.62 0.09 12.44 -0.14 -1.26 -2.47 119.74 130.01 3lqa s LYS 172 Ca -0.01 0.77 -0.01 0.00 -1.36 0.00 0.00 55.97 55.36 3lqa s LYS 172 Cb -0.08 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 3lqa s LYS 172 CO 0.02 -0.55 0.01 -1.14 -0.76 0.00 0.00 175.35 172.92 3lqa s GLN 173 N -5.09 0.76 0.54 1.68 0.74 -1.06 -4.76 119.66 112.47 3lqa s GLN 173 Ca 0.55 -1.33 0.33 0.00 0.05 0.00 0.00 55.36 54.97 3lqa s GLN 173 Cb -0.11 0.23 1.51 0.00 1.10 0.00 0.00 33.01 35.74 3lqa s GLN 173 CO 0.52 -0.18 1.86 0.66 -0.55 0.00 0.00 175.29 177.60 3lqa h SER 174 N 3.01 0.00 -0.67 6.67 4.64 -1.98 -2.28 113.55 122.95 3lqa h SER 174 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3lqa h SER 174 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3lqa h SER 174 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 3lqa n ASN 175 N -4.24 4.74 -3.60 4.97 0.23 -1.26 -4.97 115.26 111.14 3lqa n ASN 175 Ca 0.21 -2.41 -0.24 0.00 -0.53 0.00 0.00 54.58 51.61 3lqa n ASN 175 Cb 1.06 -0.58 0.08 0.00 -2.08 0.00 0.00 39.78 38.26 3lqa n ASN 175 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3lqa n ASN 176 N 1.21 -6.40 -4.33 0.53 5.15 -0.86 -5.03 115.26 105.53 3lqa n ASN 176 Ca 0.26 -0.54 -0.18 0.00 -0.60 0.00 0.00 54.58 53.52 3lqa n ASN 176 Cb 0.88 -5.03 -0.10 0.00 -0.53 0.00 0.00 39.78 34.99 3lqa n ASN 176 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3lqa s LYS 177 N -6.32 1.28 -0.14 1.20 1.02 -1.26 -4.92 119.74 110.59 3lqa s LYS 177 Ca 0.59 -1.53 -0.08 0.00 0.02 0.00 0.00 55.97 54.97 3lqa s LYS 177 Cb -0.26 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 3lqa s LYS 177 CO 0.73 0.18 0.14 0.71 -0.92 0.00 0.00 175.35 176.19 3lqa s TYR 178 N -2.86 3.54 0.12 3.18 2.02 0.21 -2.58 117.35 120.98 3lqa s TYR 178 Ca 0.20 0.47 0.05 0.00 -0.37 0.00 0.00 57.07 57.43 3lqa s TYR 178 Cb -0.01 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 3lqa s TYR 178 CO 0.06 0.61 -0.13 0.00 -1.57 0.00 0.00 175.55 174.52 3lqa s ALA 179 N -0.65 1.45 0.15 3.71 0.00 -1.03 -0.22 121.76 125.17 3lqa s ALA 179 Ca 0.13 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 3lqa s ALA 179 Cb -0.12 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.02 3lqa s ALA 179 CO 0.02 0.05 0.53 0.00 0.00 0.00 0.00 175.76 176.37 3lqa s ALA 180 N -2.37 -1.37 -0.00 0.00 0.00 0.40 -1.70 121.76 116.72 3lqa s ALA 180 Ca 0.10 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.45 3lqa s ALA 180 Cb -0.03 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3lqa s ALA 180 CO 0.02 -0.72 -0.24 -1.54 0.00 0.00 0.00 175.76 173.28 3lqa s SER 181 N -2.76 2.83 -0.05 0.00 1.04 -1.26 -1.67 113.70 111.83 3lqa s SER 181 Ca 0.02 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.04 3lqa s SER 181 Cb -0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3lqa s SER 181 CO -0.13 0.27 -0.24 -0.55 0.98 0.00 0.00 173.24 173.58 3lqa s SER 182 N -0.75 2.92 -0.02 7.02 0.15 -0.67 -0.82 113.70 121.54 3lqa s SER 182 Ca 0.09 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.35 3lqa s SER 182 Cb -0.09 -0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 63.48 3lqa s SER 182 CO -0.00 0.24 -0.26 -0.31 1.20 0.00 0.00 173.24 174.11 3lqa s TYR 183 N -0.22 2.33 -0.08 3.44 2.02 -1.08 -0.83 117.35 122.93 3lqa s TYR 183 Ca -0.01 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3lqa s TYR 183 Cb -0.13 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3lqa s TYR 183 CO 0.03 -0.04 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.65 3lqa s LEU 184 N -0.62 1.73 -0.01 -1.29 2.96 -1.15 -3.10 118.68 117.21 3lqa s LEU 184 Ca 0.10 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3lqa s LEU 184 Cb -0.10 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 3lqa s LEU 184 CO -0.01 0.05 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.00 3lqa s SER 185 N 0.69 1.52 0.11 3.68 1.04 -1.18 -0.47 113.70 119.10 3lqa s SER 185 Ca -0.13 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 3lqa s SER 185 Cb -0.16 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3lqa s SER 185 CO 0.03 0.16 0.32 -1.48 0.98 0.00 0.00 173.24 173.26 3lqa s LEU 186 N -0.31 0.78 0.62 2.42 2.34 -0.76 -4.85 118.68 118.91 3lqa s LEU 186 Ca 0.05 -0.44 -0.16 0.00 0.06 0.00 0.00 54.13 53.63 3lqa s LEU 186 Cb -0.05 1.54 -0.02 0.00 -0.56 0.00 0.00 46.19 47.10 3lqa s LEU 186 CO -0.00 -0.81 1.11 0.42 -1.06 0.00 0.00 176.35 176.01 3lqa s THR 187 N -3.83 3.25 -1.21 5.48 -4.23 -1.26 -2.64 115.64 111.21 3lqa s THR 187 Ca 0.04 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3lqa s THR 187 Cb 0.03 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3lqa s THR 187 CO -0.12 -0.31 0.85 -0.81 -0.54 0.00 0.00 174.62 173.70 3lqa n PRO 188 N -2.06 0.00 0.04 3.99 -0.04 -1.26 -1.41 135.00 134.26 3lqa n PRO 188 Ca 0.11 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.80 3lqa n PRO 188 Cb 0.52 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 3lqa n PRO 188 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3lqa h GLU 189 N 0.00 0.01 -0.38 0.54 4.57 -1.99 -1.94 114.58 115.39 3lqa h GLU 189 Ca 0.00 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3lqa h GLU 189 Cb 0.03 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3lqa h GLU 189 CO 0.00 0.01 -0.40 1.96 -1.18 0.00 0.00 179.01 179.40 3lqa h GLN 190 N 0.01 0.94 -0.25 1.92 7.50 -1.59 -3.28 115.11 120.36 3lqa h GLN 190 Ca 0.00 -0.51 0.00 0.00 0.50 0.00 0.00 58.65 58.65 3lqa h GLN 190 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 3lqa h GLN 190 CO -0.00 1.16 0.16 2.35 -1.50 0.00 0.00 178.83 181.00 3lqa h TRP 191 N 0.76 0.31 -0.97 2.96 7.01 -1.45 -3.05 115.95 121.53 3lqa h TRP 191 Ca 0.06 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3lqa h TRP 191 Cb 1.00 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 3lqa h TRP 191 CO 0.06 0.19 0.60 0.87 -2.79 0.00 0.00 178.44 177.38 3lqa h LYS 192 N 0.33 1.30 -0.44 2.65 1.57 -1.44 -3.38 116.57 117.16 3lqa h LYS 192 Ca 0.09 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3lqa h LYS 192 Cb -0.04 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3lqa h LYS 192 CO -0.02 0.89 -0.29 0.66 -0.57 0.00 0.00 179.45 180.12 3lqa h SER 193 N 1.32 1.02 -4.20 0.86 4.64 -1.59 -3.46 113.55 112.15 3lqa h SER 193 Ca 0.35 -0.43 -0.47 0.00 -0.47 0.00 0.00 61.79 60.77 3lqa h SER 193 Cb -0.09 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 61.73 3lqa h SER 193 CO -0.07 1.23 0.38 -1.00 -0.87 0.00 0.00 176.83 176.50 3lqa s HIS 194 N -4.55 3.43 0.23 4.77 3.76 -1.25 -4.98 115.29 116.70 3lqa s HIS 194 Ca -0.11 1.47 -0.08 0.00 -0.15 0.00 0.00 55.06 56.19 3lqa s HIS 194 Cb 0.12 -2.80 0.22 0.00 1.11 0.00 0.00 32.58 31.22 3lqa s HIS 194 CO 0.88 -0.41 1.90 0.00 -0.85 0.00 0.00 174.74 176.26 3lqa h ARG 195 N 0.87 1.20 -2.68 1.40 2.47 -1.94 -3.43 114.38 112.26 3lqa h ARG 195 Ca -0.47 -0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.21 3lqa h ARG 195 Cb 1.19 -0.27 -0.13 0.00 -1.65 0.00 0.00 29.97 29.11 3lqa h ARG 195 CO 0.61 0.80 0.34 -1.54 0.56 0.00 0.00 179.97 180.74 3lqa s SER 196 N -6.04 -0.47 -0.02 7.04 1.04 -1.26 -4.12 113.70 109.86 3lqa s SER 196 Ca -0.13 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.36 3lqa s SER 196 Cb 0.17 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3lqa s SER 196 CO 0.81 -0.82 -0.26 -0.31 0.98 0.00 0.00 173.24 173.63 3lqa s TYR 197 N -3.47 2.33 -0.01 5.02 2.02 0.77 -3.40 117.35 120.61 3lqa s TYR 197 Ca 0.03 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 3lqa s TYR 197 Cb -0.01 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3lqa s TYR 197 CO -0.11 -0.04 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.58 3lqa s SER 198 N -0.61 1.52 -0.17 2.29 0.01 0.17 -0.33 113.70 116.58 3lqa s SER 198 Ca 0.10 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 3lqa s SER 198 Cb -0.10 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3lqa s SER 198 CO -0.01 0.16 0.03 0.00 0.41 0.00 0.00 173.24 173.83 3lqa s GLN 200 N 0.35 0.80 -0.10 0.00 -2.07 -0.77 -2.72 119.66 115.15 3lqa s GLN 200 Ca 0.00 -0.86 0.04 0.00 -1.82 0.00 0.00 55.36 52.72 3lqa s GLN 200 Cb -0.13 -0.78 0.00 0.00 -1.09 0.00 0.00 33.01 31.01 3lqa s GLN 200 CO 0.01 0.18 -0.24 0.08 -1.32 0.00 0.00 175.29 174.00 3lqa s VAL 201 N -1.15 2.07 -0.25 3.63 1.01 -1.13 -2.49 120.40 122.09 3lqa s VAL 201 Ca -0.02 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 3lqa s VAL 201 Cb -0.09 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3lqa s VAL 201 CO 0.02 0.56 0.08 -0.89 0.00 0.00 0.00 175.10 174.86 3lqa s THR 202 N 0.36 4.36 -0.15 3.92 2.01 -0.68 -2.15 115.64 123.31 3lqa s THR 202 Ca -0.18 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3lqa s THR 202 Cb -0.18 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.32 3lqa s THR 202 CO 0.09 0.34 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.01 3lqa s HIS 203 N 1.61 1.65 -1.38 4.92 2.46 0.10 -3.27 115.29 121.39 3lqa s HIS 203 Ca 0.06 -0.98 -0.09 0.00 0.47 0.00 0.00 55.06 54.52 3lqa s HIS 203 Cb -0.15 -1.30 0.02 0.00 -0.13 0.00 0.00 32.58 31.01 3lqa s HIS 203 CO 0.04 -0.58 1.17 0.39 -2.47 0.00 0.00 174.74 173.28 3lqa n GLU 204 N 4.89 -7.74 0.00 2.88 -0.58 -1.26 -2.49 120.64 116.34 3lqa n GLU 204 Ca -0.12 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 3lqa n GLU 204 Cb 0.49 -5.85 0.00 0.00 -0.57 0.00 0.00 31.44 25.51 3lqa n GLU 204 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3lqa n GLY 205 N -1.98 1.50 3.17 0.62 0.00 -1.26 -5.02 105.19 102.22 3lqa n GLY 205 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3lqa n GLY 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lqa s SER 206 N -3.00 1.97 -0.10 1.61 1.04 -1.04 -5.14 113.70 109.04 3lqa s SER 206 Ca 0.00 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.07 3lqa s SER 206 Cb 0.00 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 3lqa s SER 206 CO 0.00 0.14 -0.24 -0.89 0.98 0.00 0.00 173.24 173.23 3lqa s THR 207 N -0.62 2.06 -0.11 2.02 2.01 -1.26 0.02 115.64 119.76 3lqa s THR 207 Ca 0.05 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.06 3lqa s THR 207 Cb -0.07 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 3lqa s THR 207 CO 0.01 0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 3lqa s VAL 208 N 0.34 2.31 -0.02 3.82 1.01 -0.91 -4.99 120.40 121.95 3lqa s VAL 208 Ca -0.19 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3lqa s VAL 208 Cb -0.18 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3lqa s VAL 208 CO 0.09 0.55 -0.16 -0.70 0.00 0.00 0.00 175.10 174.88 3lqa s GLU 209 N 0.36 1.42 -0.02 2.72 2.12 -1.26 -2.83 118.70 121.20 3lqa s GLU 209 Ca -0.17 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.66 3lqa s GLU 209 Cb -0.17 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.86 3lqa s GLU 209 CO 0.08 0.33 -0.25 0.15 -0.54 0.00 0.00 175.26 175.02 3lqa s LYS 210 N -0.28 2.14 -0.10 4.30 1.02 -1.10 -5.07 119.74 120.65 3lqa s LYS 210 Ca 0.04 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.15 3lqa s LYS 210 Cb -0.07 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3lqa s LYS 210 CO -0.00 0.56 -0.24 0.99 -0.92 0.00 0.00 175.35 175.74 3lqa s THR 211 N -0.61 2.06 -0.09 2.17 2.01 -1.26 -1.65 115.64 118.27 3lqa s THR 211 Ca 0.10 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.12 3lqa s THR 211 Cb -0.10 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 3lqa s THR 211 CO -0.01 0.56 -0.23 -0.32 -0.69 0.00 0.00 174.62 173.93 3lqa s MET 212 N 0.34 2.88 -0.11 4.92 1.75 0.56 -4.99 119.30 124.66 3lqa s MET 212 Ca -0.19 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 53.42 3lqa s MET 212 Cb -0.18 -2.22 -0.00 0.00 2.84 0.00 0.00 34.83 35.26 3lqa s MET 212 CO 0.09 0.21 -0.21 0.00 -0.65 0.00 0.00 175.02 174.45 3lqa s ALA 213 N 0.27 2.28 0.24 4.11 0.00 -1.26 -0.16 121.76 127.24 3lqa s ALA 213 Ca -0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3lqa s ALA 213 Cb -0.17 -0.91 0.24 0.00 0.00 0.00 0.00 23.12 22.28 3lqa s ALA 213 CO 0.08 0.28 1.90 1.12 0.00 0.00 0.00 175.76 179.13 3lqa h HIS 214 N 6.72 1.26 0.00 0.00 2.07 -1.84 -3.49 115.15 119.86 3lqa h HIS 214 Ca -0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 3lqa h HIS 214 Cb 1.23 -0.42 0.00 0.00 2.57 0.00 0.00 27.41 30.80 3lqa h HIS 214 CO 0.48 0.82 0.00 0.00 -3.07 0.00 0.00 177.93 176.16