#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqz s THR 2 N 0.00 3.79 -0.10 0.00 2.01 -1.26 -0.41 115.64 119.67 1aqz s THR 2 Ca 0.00 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1aqz s THR 2 Cb 0.00 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1aqz s THR 2 CO 0.00 0.50 0.09 0.26 -0.69 0.00 0.00 174.62 174.78 1aqz s TRP 3 N 0.37 3.44 -0.10 4.92 0.52 0.92 -4.53 118.94 124.47 1aqz s TRP 3 Ca -0.05 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.49 1aqz s TRP 3 Cb -0.14 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1aqz s TRP 3 CO 0.03 0.64 -0.18 0.99 0.02 0.00 0.00 176.95 178.45 1aqz s THR 4 N -0.99 2.59 0.14 2.01 2.01 -0.19 -1.13 115.64 120.07 1aqz s THR 4 Ca 0.15 -0.84 0.10 0.00 0.31 0.00 0.00 61.69 61.41 1aqz s THR 4 Cb -0.12 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1aqz s THR 4 CO 0.04 0.55 -0.23 0.00 -0.69 0.00 0.00 174.62 174.29 1aqz s ILE 6 N -1.32 2.02 -0.01 0.00 -1.09 -1.26 -0.29 121.20 119.25 1aqz s ILE 6 Ca 0.13 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 1aqz s ILE 6 Cb -0.09 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1aqz s ILE 6 CO 0.06 0.55 -0.04 0.21 -1.23 0.00 0.00 174.94 174.49 1aqz s ASN 7 N 0.45 0.53 0.03 3.58 3.84 0.50 -4.77 114.94 119.09 1aqz s ASN 7 Ca -0.17 -0.07 -0.19 0.00 0.21 0.00 0.00 52.86 52.64 1aqz s ASN 7 Cb -0.17 -0.12 -0.06 0.00 -0.55 0.00 0.00 41.25 40.35 1aqz s ASN 7 CO 0.07 0.02 0.55 -1.10 -2.79 0.00 0.00 177.10 173.84 1aqz s GLN 8 N 0.17 4.20 0.12 0.43 -0.21 -0.19 0.58 119.66 124.76 1aqz s GLN 8 Ca -0.01 0.67 0.04 0.00 0.02 0.00 0.00 55.36 56.08 1aqz s GLN 8 Cb -0.05 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1aqz s GLN 8 CO -0.00 0.55 -0.11 -0.65 -2.12 0.00 0.00 175.29 172.96 1aqz s GLN 9 N -0.77 0.94 -1.34 2.91 -0.21 -1.26 -1.30 119.66 118.64 1aqz s GLN 9 Ca 0.28 -1.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1aqz s GLN 9 Cb -0.18 -0.61 0.04 0.00 1.00 0.00 0.00 33.01 33.26 1aqz s GLN 9 CO 0.17 0.09 1.98 -0.11 -2.12 0.00 0.00 175.29 175.30 1aqz n LEU 10 N 0.28 5.67 0.00 2.90 7.94 -1.26 -4.77 117.00 127.75 1aqz n LEU 10 Ca -0.14 -3.93 0.00 0.00 -1.11 0.00 0.00 56.01 50.83 1aqz n LEU 10 Cb 0.59 -1.68 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1aqz n LEU 10 CO 0.29 0.45 0.00 -1.84 -1.11 0.00 0.00 177.39 175.18 1aqz n GLU 18 N 7.29 0.00 -2.21 1.96 0.28 -1.26 -5.26 120.64 121.44 1aqz n GLU 18 Ca 0.50 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 57.08 1aqz n GLU 18 Cb 0.43 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.27 1aqz n GLU 18 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1aqz s ASP 19 N -0.64 6.85 -0.10 -1.84 1.01 -1.26 -4.31 116.67 116.39 1aqz s ASP 19 Ca 0.00 2.20 0.02 0.00 0.71 0.00 0.00 52.55 55.48 1aqz s ASP 19 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1aqz s ASP 19 CO 0.00 -0.68 -0.16 -0.75 0.21 0.00 0.00 175.17 173.79 1aqz s LYS 20 N 1.79 3.01 -0.22 8.23 2.20 0.20 -4.94 119.74 130.01 1aqz s LYS 20 Ca 0.64 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1aqz s LYS 20 Cb -0.34 -2.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1aqz s LYS 20 CO 0.28 0.34 0.14 0.50 -0.36 0.00 0.00 175.35 176.26 1aqz s ARG 21 N -0.00 4.11 -0.04 4.03 3.52 -1.26 -0.37 118.95 128.93 1aqz s ARG 21 Ca -0.05 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 1aqz s ARG 21 Cb -0.14 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1aqz s ARG 21 CO 0.04 0.17 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.05 1aqz s LEU 22 N 0.73 1.85 -0.08 -0.88 1.43 0.60 -4.96 118.68 117.38 1aqz s LEU 22 Ca 0.07 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1aqz s LEU 22 Cb -0.12 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1aqz s LEU 22 CO 0.02 0.12 -0.07 -0.76 0.23 0.00 0.00 176.35 175.89 1aqz s LEU 23 N 0.14 3.17 -0.01 1.79 2.01 -1.26 -0.19 118.68 124.33 1aqz s LEU 23 Ca -0.05 -0.04 0.04 0.00 0.01 0.00 0.00 54.13 54.09 1aqz s LEU 23 Cb -0.11 -1.70 -0.01 0.00 0.01 0.00 0.00 46.19 44.38 1aqz s LEU 23 CO 0.02 0.34 -0.12 -0.31 1.01 0.00 0.00 176.35 177.29 1aqz s TYR 24 N -0.65 1.06 -0.08 0.29 1.51 -0.29 -4.42 117.35 114.77 1aqz s TYR 24 Ca 0.10 -0.20 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 1aqz s TYR 24 Cb -0.11 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1aqz s TYR 24 CO 0.02 -0.02 0.61 0.45 -1.11 0.00 0.00 175.55 175.50 1aqz s SER 25 N -0.27 6.88 0.29 2.29 0.15 -1.26 -0.06 113.70 121.73 1aqz s SER 25 Ca 0.04 1.06 0.01 0.00 0.70 0.00 0.00 55.95 57.76 1aqz s SER 25 Cb -0.05 -2.36 0.45 0.00 -1.71 0.00 0.00 66.02 62.35 1aqz s SER 25 CO -0.00 -0.05 1.81 -0.61 1.20 0.00 0.00 173.24 175.59 1aqz h GLN 26 N 6.60 0.67 -0.80 5.44 4.15 -1.11 -2.60 115.11 127.45 1aqz h GLN 26 Ca -0.42 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 58.80 1aqz h GLN 26 Cb 1.19 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 1aqz h GLN 26 CO 0.75 0.69 0.35 0.00 -1.93 0.00 0.00 178.83 178.68 1aqz h ALA 27 N 1.37 1.04 -0.49 3.38 0.00 -1.93 -0.66 119.26 121.96 1aqz h ALA 27 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1aqz h ALA 27 Cb 0.40 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1aqz h ALA 27 CO 0.02 0.64 0.03 0.87 0.00 0.00 0.00 179.25 180.81 1aqz h LYS 28 N 1.16 0.85 -0.50 0.00 1.57 -1.87 -1.82 116.57 115.95 1aqz h LYS 28 Ca 0.27 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1aqz h LYS 28 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1aqz h LYS 28 CO -0.03 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 179.75 1aqz h ALA 29 N 0.95 0.68 -0.49 3.86 0.00 -1.26 -0.44 119.26 122.55 1aqz h ALA 29 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1aqz h ALA 29 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1aqz h ALA 29 CO 0.02 0.46 0.08 0.93 0.00 0.00 0.00 179.25 180.73 1aqz h GLU 30 N 0.74 0.77 -0.46 0.00 5.08 -1.01 -1.97 114.58 117.73 1aqz h GLU 30 Ca 0.15 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1aqz h GLU 30 Cb 0.48 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1aqz h GLU 30 CO 0.02 0.73 -0.07 1.03 -1.00 0.00 0.00 179.01 179.73 1aqz h SER 31 N 0.74 0.79 -0.15 1.42 0.87 -1.03 -2.66 113.55 113.53 1aqz h SER 31 Ca 0.16 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1aqz h SER 31 Cb 0.34 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1aqz h SER 31 CO 0.01 0.90 0.09 0.78 -0.53 0.00 0.00 176.83 178.07 1aqz h ASN 32 N 0.74 0.19 -0.36 6.23 -0.26 -0.34 -2.14 115.58 119.63 1aqz h ASN 32 Ca 0.13 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1aqz h ASN 32 Cb 0.55 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1aqz h ASN 32 CO 0.03 0.20 0.17 0.77 -1.06 0.00 0.00 177.43 177.54 1aqz h SER 33 N 0.16 0.52 0.06 5.81 4.64 -1.32 -1.24 113.55 122.17 1aqz h SER 33 Ca 0.05 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1aqz h SER 33 Cb 0.05 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1aqz h SER 33 CO -0.01 0.47 -0.28 0.45 -0.87 0.00 0.00 176.83 176.59 1aqz h HIS 34 N 0.58 0.39 0.00 4.77 3.86 -1.32 -2.50 115.15 120.93 1aqz h HIS 34 Ca 0.14 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1aqz h HIS 34 Cb 0.11 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1aqz h HIS 34 CO 0.01 0.60 -0.15 1.25 0.86 0.00 0.00 177.93 180.50 1aqz h HIS 35 N 0.31 0.00 -3.92 2.45 6.17 -0.70 -3.46 115.15 116.00 1aqz h HIS 35 Ca 0.05 0.00 -0.50 0.00 0.71 0.00 0.00 60.37 60.63 1aqz h HIS 35 Cb 0.66 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.61 1aqz h HIS 35 CO 0.02 0.00 0.46 0.00 0.71 0.00 0.00 177.93 179.11 1aqz s ALA 36 N -3.16 3.18 0.67 5.26 0.00 -0.53 -5.04 121.76 122.14 1aqz s ALA 36 Ca 0.08 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 1aqz s ALA 36 Cb 0.10 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1aqz s ALA 36 CO 0.65 -0.30 1.08 -1.25 0.00 0.00 0.00 175.76 175.94 1aqz s PRO 37 N -2.17 2.89 -1.12 0.00 0.04 -1.26 -4.95 135.00 128.42 1aqz s PRO 37 Ca 0.54 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1aqz s PRO 37 Cb -0.27 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.47 1aqz s PRO 37 CO 0.34 -1.15 1.30 -0.51 0.04 0.00 0.00 177.00 177.02 1aqz s LEU 38 N -5.14 5.29 -0.06 -3.56 1.43 -1.26 -4.76 118.68 110.63 1aqz s LEU 38 Ca 0.62 -2.86 -0.13 0.00 -1.03 0.00 0.00 54.13 50.73 1aqz s LEU 38 Cb -0.17 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.71 1aqz s LEU 38 CO 0.46 -0.75 0.30 -0.55 0.23 0.00 0.00 176.35 176.05 1aqz s SER 39 N 2.78 -0.23 -1.01 2.29 0.15 -1.26 -5.07 113.70 111.33 1aqz s SER 39 Ca 0.38 0.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.19 1aqz s SER 39 Cb -0.04 0.44 0.22 0.00 -1.71 0.00 0.00 66.02 64.93 1aqz s SER 39 CO -0.03 -0.31 1.06 -0.62 1.20 0.00 0.00 173.24 174.53 1aqz s ASP 40 N -0.74 7.01 -1.71 5.45 2.15 -1.26 -4.37 116.67 123.21 1aqz s ASP 40 Ca -0.08 -3.01 0.00 0.00 0.43 0.00 0.00 52.55 49.89 1aqz s ASP 40 Cb -0.04 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1aqz s ASP 40 CO 0.03 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 1aqz n GLY 41 N 3.70 0.85 2.76 2.66 0.00 0.11 -4.89 105.19 110.37 1aqz n GLY 41 Ca 0.23 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1aqz n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqz n LYS 42 N -2.57 5.01 -3.97 1.61 5.02 -1.26 -4.65 118.16 117.34 1aqz n LYS 42 Ca -0.19 -4.64 -0.09 0.00 -2.02 0.00 0.00 58.31 51.36 1aqz n LYS 42 Cb 0.61 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 1aqz n LYS 42 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aqz s THR 43 N -3.83 0.07 0.23 -0.18 -4.23 -1.26 -5.07 115.64 101.38 1aqz s THR 43 Ca 0.37 -1.42 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 1aqz s THR 43 Cb 0.15 -1.83 0.21 0.00 1.34 0.00 0.00 72.50 72.36 1aqz s THR 43 CO -0.05 -0.33 1.88 1.23 -0.54 0.00 0.00 174.62 176.81 1aqz h GLY 44 N 2.58 1.25 1.51 3.99 0.00 -1.72 -2.95 103.07 107.73 1aqz h GLY 44 Ca -0.32 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1aqz h GLY 44 CO 0.50 0.38 -0.35 -1.14 0.00 0.00 0.00 176.54 175.92 1aqz n SER 45 N -4.53 0.69 0.00 0.19 3.41 -0.52 -4.62 113.62 108.24 1aqz n SER 45 Ca 0.10 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1aqz n SER 45 Cb 0.07 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1aqz n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aqz n SER 46 N -2.09 0.00 -4.70 4.04 3.41 -1.12 -5.05 113.62 108.11 1aqz n SER 46 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 1aqz n SER 46 Cb 0.42 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1aqz n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1aqz s TYR 47 N -3.08 3.12 0.78 7.33 2.02 -1.26 -3.95 117.35 122.30 1aqz s TYR 47 Ca 0.00 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.70 1aqz s TYR 47 Cb 0.00 -1.70 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1aqz s TYR 47 CO 0.00 0.47 1.12 -1.25 -1.57 0.00 0.00 175.55 174.32 1aqz s PRO 48 N -1.46 2.26 0.12 -1.71 0.04 -1.26 -4.72 135.00 128.26 1aqz s PRO 48 Ca 0.19 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 1aqz s PRO 48 Cb -0.12 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1aqz s PRO 48 CO 0.09 -1.45 0.29 -3.38 0.04 0.00 0.00 177.00 172.60 1aqz s HIS 49 N -3.34 0.04 0.18 0.56 -3.43 -1.10 0.04 115.29 108.24 1aqz s HIS 49 Ca 0.60 -0.42 -0.33 0.00 -0.80 0.00 0.00 55.06 54.12 1aqz s HIS 49 Cb -0.12 0.08 -0.15 0.00 -1.43 0.00 0.00 32.58 30.95 1aqz s HIS 49 CO 0.52 -0.64 1.28 1.87 -2.00 0.00 0.00 174.74 175.77 1aqz n TRP 50 N -0.15 1.63 -3.80 0.38 -0.00 -1.26 -0.84 117.44 113.39 1aqz n TRP 50 Ca -0.14 0.58 -0.37 0.00 -0.00 0.00 0.00 57.50 57.57 1aqz n TRP 50 Cb 0.63 -2.35 -0.13 0.00 -0.00 0.00 0.00 31.31 29.46 1aqz n TRP 50 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1aqz s PHE 51 N -0.02 3.23 0.28 5.87 5.36 -0.30 -4.77 117.98 127.63 1aqz s PHE 51 Ca 0.73 -1.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.26 1aqz s PHE 51 Cb -0.79 -2.22 0.42 0.00 -0.34 0.00 0.00 43.02 40.10 1aqz s PHE 51 CO 0.50 -0.72 1.73 1.79 -1.46 0.00 0.00 175.22 177.06 1aqz h THR 52 N 6.20 1.26 -2.40 0.12 1.35 -1.88 -3.39 112.91 114.17 1aqz h THR 52 Ca -0.25 -1.23 -0.41 0.00 -0.55 0.00 0.00 66.41 63.97 1aqz h THR 52 Cb 1.09 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 68.76 1aqz h THR 52 CO 0.58 0.39 -0.47 -3.20 -0.25 0.00 0.00 175.52 172.57 1aqz n ASN 53 N -4.13 -5.65 0.00 5.36 5.15 -1.26 -1.74 115.26 112.98 1aqz n ASN 53 Ca -0.00 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1aqz n ASN 53 Cb 0.39 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.84 1aqz n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1aqz n GLY 54 N -0.80 0.75 3.78 8.20 0.00 -1.26 -4.04 105.19 111.82 1aqz n GLY 54 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1aqz n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqz s TYR 55 N -2.45 2.86 0.65 1.61 2.02 -0.71 -1.36 117.35 119.97 1aqz s TYR 55 Ca 0.00 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1aqz s TYR 55 Cb 0.00 -1.56 0.10 0.00 -0.40 0.00 0.00 41.96 40.10 1aqz s TYR 55 CO 0.00 0.38 0.91 0.16 -1.57 0.00 0.00 175.55 175.43 1aqz s ASP 56 N -3.86 4.70 0.00 2.29 1.47 -0.27 -4.84 116.67 116.15 1aqz s ASP 56 Ca 0.36 -0.33 0.10 0.00 1.18 0.00 0.00 52.55 53.86 1aqz s ASP 56 Cb -0.05 -0.21 0.47 0.00 -0.34 0.00 0.00 42.92 42.79 1aqz s ASP 56 CO 0.24 -1.60 1.24 0.61 0.68 0.00 0.00 175.17 176.34 1aqz n GLY 57 N -2.62 -0.69 0.97 2.12 0.00 -1.26 -1.62 105.19 102.08 1aqz n GLY 57 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1aqz n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aqz n ASN 58 N -1.36 3.05 0.00 1.61 3.02 -1.26 -0.62 115.26 119.70 1aqz n ASN 58 Ca 0.04 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 1aqz n ASN 58 Cb 0.09 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1aqz n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aqz n GLY 59 N 1.30 0.73 3.76 7.41 0.00 -0.64 -4.92 105.19 112.83 1aqz n GLY 59 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1aqz n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqz s LYS 60 N -0.45 4.13 0.03 1.61 3.01 -1.26 -4.77 119.74 122.03 1aqz s LYS 60 Ca 0.00 0.14 -0.30 0.00 -1.01 0.00 0.00 55.97 54.79 1aqz s LYS 60 Cb 0.00 -3.37 -0.06 0.00 -1.01 0.00 0.00 37.83 33.39 1aqz s LYS 60 CO 0.00 0.36 1.34 -1.17 0.51 0.00 0.00 175.35 176.39 1aqz s LEU 61 N 0.10 4.33 0.34 3.17 0.20 -1.26 -1.12 118.68 124.45 1aqz s LEU 61 Ca 0.18 2.11 -0.27 0.00 0.69 0.00 0.00 54.13 56.84 1aqz s LEU 61 Cb -0.14 -3.57 -0.09 0.00 -0.43 0.00 0.00 46.19 41.97 1aqz s LEU 61 CO 0.06 -0.65 1.12 -0.63 -0.29 0.00 0.00 176.35 175.95 1aqz s ILE 62 N 1.89 3.42 0.15 6.68 -1.09 -0.46 -4.92 121.20 126.86 1aqz s ILE 62 Ca 0.62 1.27 -0.31 0.00 -2.23 0.00 0.00 60.65 60.00 1aqz s ILE 62 Cb -0.31 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 1aqz s ILE 62 CO 0.27 0.19 1.72 -0.75 -1.23 0.00 0.00 174.94 175.14 1aqz s LYS 63 N -1.96 4.16 0.00 2.79 2.20 -1.26 -2.49 119.74 123.18 1aqz s LYS 63 Ca 0.51 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 1aqz s LYS 63 Cb -0.29 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1aqz s LYS 63 CO 0.38 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1aqz n GLY 64 N 4.02 1.82 3.88 5.54 0.00 -1.26 -5.05 105.19 114.14 1aqz n GLY 64 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1aqz n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aqz s ARG 65 N -0.65 3.76 -0.19 1.61 1.81 -1.04 -5.09 118.95 119.16 1aqz s ARG 65 Ca 0.00 0.17 0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1aqz s ARG 65 Cb 0.00 -2.81 0.04 0.00 -0.45 0.00 0.00 34.95 31.73 1aqz s ARG 65 CO 0.00 0.43 -0.11 0.99 -0.68 0.00 0.00 175.30 175.93 1aqz s THR 66 N -1.64 1.65 0.58 0.02 2.01 -1.26 -4.83 115.64 112.18 1aqz s THR 66 Ca 0.41 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1aqz s THR 66 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1aqz s THR 66 CO 0.21 0.20 1.14 -2.84 -0.69 0.00 0.00 174.62 172.65 1aqz s PRO 67 N 1.40 3.14 0.11 4.92 0.02 -1.26 -4.84 135.00 138.48 1aqz s PRO 67 Ca -0.01 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 1aqz s PRO 67 Cb -0.16 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 1aqz s PRO 67 CO -0.08 -1.02 0.96 0.42 -0.33 0.00 0.00 177.00 176.94 1aqz s ILE 68 N -1.84 4.52 -0.24 2.83 1.01 -1.26 -5.02 121.20 121.19 1aqz s ILE 68 Ca 0.73 2.06 -0.13 0.00 0.00 0.00 0.00 60.65 63.31 1aqz s ILE 68 Cb -0.25 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1aqz s ILE 68 CO 0.31 0.31 0.28 -0.75 0.00 0.00 0.00 174.94 175.09 1aqz s LYS 69 N 0.02 4.07 -0.11 2.79 2.20 -1.26 -4.96 119.74 122.50 1aqz s LYS 69 Ca 0.47 -0.07 0.12 0.00 -0.36 0.00 0.00 55.97 56.13 1aqz s LYS 69 Cb -0.23 -3.58 -0.24 0.00 -1.51 0.00 0.00 37.83 32.27 1aqz s LYS 69 CO 0.30 -0.07 0.39 1.19 -0.36 0.00 0.00 175.35 176.80 1aqz n PHE 70 N 4.65 0.63 -0.19 4.03 3.72 -1.26 -5.01 117.46 124.04 1aqz n PHE 70 Ca -0.12 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1aqz n PHE 70 Cb 0.51 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1aqz n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aqz n GLY 71 N 1.69 0.90 3.05 1.37 0.00 -1.26 -5.02 105.19 105.92 1aqz n GLY 71 Ca -0.25 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1aqz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqz s LYS 72 N -0.74 2.19 0.40 1.61 1.02 -1.26 -5.02 119.74 117.94 1aqz s LYS 72 Ca 0.00 -0.55 0.12 0.00 0.02 0.00 0.00 55.97 55.57 1aqz s LYS 72 Cb 0.00 -1.89 0.95 0.00 -0.52 0.00 0.00 37.83 36.38 1aqz s LYS 72 CO 0.00 -0.08 1.92 0.00 -0.92 0.00 0.00 175.35 176.27 1aqz h ALA 73 N 7.49 1.98 -0.21 5.17 0.00 -1.97 0.13 119.26 131.84 1aqz h ALA 73 Ca -0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1aqz h ALA 73 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1aqz h ALA 73 CO 0.49 -0.16 0.02 -0.44 0.00 0.00 0.00 179.25 179.15 1aqz h ASP 74 N 0.52 0.27 0.45 0.00 5.19 -1.98 -2.93 116.42 117.95 1aqz h ASP 74 Ca 0.36 -0.03 -0.29 0.00 -0.62 0.00 0.00 57.03 56.45 1aqz h ASP 74 Cb 0.68 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.07 1aqz h ASP 74 CO -0.13 0.31 -1.76 0.00 -3.12 0.00 0.00 179.24 174.55 1aqz n ASP 76 N -2.99 0.89 -4.76 0.00 8.00 -0.36 -4.90 116.55 112.43 1aqz n ASP 76 Ca -0.18 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.08 1aqz n ASP 76 Cb 1.04 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 42.17 1aqz n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1aqz s ARG 77 N -2.47 4.54 0.51 -1.24 3.00 -1.12 -4.98 118.95 117.20 1aqz s ARG 77 Ca 0.26 1.93 -0.23 0.00 -1.00 0.00 0.00 55.73 56.70 1aqz s ARG 77 Cb 0.20 -3.16 -0.06 0.00 0.00 0.00 0.00 34.95 31.92 1aqz s ARG 77 CO 0.50 0.06 1.33 -2.14 0.00 0.00 0.00 175.30 175.05 1aqz s PRO 78 N -1.37 3.36 0.76 5.12 0.02 -1.26 -4.99 135.00 136.65 1aqz s PRO 78 Ca 0.47 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 1aqz s PRO 78 Cb -0.34 -2.36 0.08 0.00 0.02 0.00 0.00 34.50 31.89 1aqz s PRO 78 CO 0.44 -0.99 1.10 -1.25 -0.33 0.00 0.00 177.00 175.97 1aqz s PRO 79 N -2.77 2.02 -0.21 5.54 0.04 -1.26 -4.91 135.00 133.44 1aqz s PRO 79 Ca 0.68 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 1aqz s PRO 79 Cb -0.39 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.16 1aqz s PRO 79 CO 0.47 -1.46 0.02 0.21 0.04 0.00 0.00 177.00 176.28 1aqz s LYS 80 N -5.43 0.88 -0.22 4.56 2.47 0.05 -2.45 119.74 119.61 1aqz s LYS 80 Ca 0.62 -0.58 -0.01 0.00 -1.56 0.00 0.00 55.97 54.43 1aqz s LYS 80 Cb -0.11 -2.22 0.06 0.00 -1.46 0.00 0.00 37.83 34.11 1aqz s LYS 80 CO 0.47 -0.64 0.01 -1.58 0.16 0.00 0.00 175.35 173.76 1aqz s HIS 81 N 1.74 1.57 0.66 4.03 5.65 0.21 -1.61 115.29 127.54 1aqz s HIS 81 Ca -0.02 -1.24 -0.11 0.00 0.25 0.00 0.00 55.06 53.94 1aqz s HIS 81 Cb -0.18 -1.27 -0.01 0.00 -1.18 0.00 0.00 32.58 29.94 1aqz s HIS 81 CO -0.08 -0.69 1.05 -1.12 -0.65 0.00 0.00 174.74 173.25 1aqz s SER 82 N 1.67 5.72 0.44 9.88 0.01 -1.26 -4.47 113.70 125.70 1aqz s SER 82 Ca -0.02 1.55 0.37 0.00 1.31 0.00 0.00 55.95 59.16 1aqz s SER 82 Cb -0.18 -2.49 1.41 0.00 0.21 0.00 0.00 66.02 64.98 1aqz s SER 82 CO -0.08 -1.21 1.35 0.00 0.41 0.00 0.00 173.24 173.71 1aqz n GLN 83 N -2.94 -0.01 -0.01 12.44 3.00 -1.26 -0.27 117.38 128.32 1aqz n GLN 83 Ca 0.07 1.00 0.02 0.00 -0.01 0.00 0.00 57.00 58.08 1aqz n GLN 83 Cb 0.54 -2.16 0.02 0.00 0.00 0.00 0.00 30.24 28.64 1aqz n GLN 83 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1aqz n ASN 84 N -4.00 1.46 -0.50 1.08 0.23 -1.26 -4.99 115.26 107.28 1aqz n ASN 84 Ca 0.37 -1.27 -0.07 0.00 -0.53 0.00 0.00 54.58 53.09 1aqz n ASN 84 Cb 1.58 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 39.25 1aqz n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aqz n GLY 85 N 0.19 0.87 0.02 4.83 0.00 0.63 -4.72 105.19 107.01 1aqz n GLY 85 Ca 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1aqz n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aqz n MET 86 N -2.45 2.07 -1.46 1.61 2.81 -1.26 -4.82 117.12 113.63 1aqz n MET 86 Ca -0.07 -1.37 -0.36 0.00 -1.81 0.00 0.00 57.70 54.10 1aqz n MET 86 Cb 0.26 -0.92 0.09 0.00 -0.71 0.00 0.00 33.22 31.94 1aqz n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1aqz n GLY 87 N -0.47 0.16 0.11 3.03 0.00 -1.26 -4.85 105.19 101.91 1aqz n GLY 87 Ca 0.02 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.84 1aqz n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aqz n LYS 88 N -2.31 0.14 -0.02 1.61 2.85 -1.26 -2.45 118.16 116.72 1aqz n LYS 88 Ca 0.15 0.47 0.08 0.00 -1.05 0.00 0.00 58.31 57.95 1aqz n LYS 88 Cb 0.49 -1.82 0.08 0.00 -0.65 0.00 0.00 35.03 33.12 1aqz n LYS 88 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1aqz n ASP 89 N -2.10 2.38 -4.77 -5.58 8.00 -1.26 -5.02 116.55 108.21 1aqz n ASP 89 Ca 0.01 -1.68 -0.40 0.00 0.71 0.00 0.00 54.79 53.43 1aqz n ASP 89 Cb 0.15 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1aqz n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1aqz s ASP 90 N -1.28 5.91 -0.29 -2.24 1.11 -1.03 -4.86 116.67 114.00 1aqz s ASP 90 Ca 0.19 2.96 -0.08 0.00 0.18 0.00 0.00 52.55 55.80 1aqz s ASP 90 Cb 0.13 -2.66 0.13 0.00 1.07 0.00 0.00 42.92 41.60 1aqz s ASP 90 CO 0.20 -1.16 0.61 -1.38 1.18 0.00 0.00 175.17 174.62 1aqz s HIS 91 N -1.19 -1.30 0.37 4.23 -3.43 -0.64 -4.65 115.29 108.69 1aqz s HIS 91 Ca 0.60 2.13 -0.11 0.00 -0.80 0.00 0.00 55.06 56.87 1aqz s HIS 91 Cb -0.44 0.70 0.04 0.00 -1.43 0.00 0.00 32.58 31.44 1aqz s HIS 91 CO 0.58 -0.67 0.69 1.52 -2.00 0.00 0.00 174.74 174.85 1aqz s TYR 92 N 2.85 0.42 0.08 0.38 -0.85 -0.88 -0.77 117.35 118.59 1aqz s TYR 92 Ca -0.02 -0.96 -0.07 0.00 -0.52 0.00 0.00 57.07 55.50 1aqz s TYR 92 Cb -0.12 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 1aqz s TYR 92 CO -0.18 -1.44 0.36 -0.51 -1.52 0.00 0.00 175.55 172.25 1aqz s LEU 93 N -3.13 4.33 0.07 -3.49 1.43 -1.26 -0.77 118.68 115.87 1aqz s LEU 93 Ca 0.20 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1aqz s LEU 93 Cb -0.04 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1aqz s LEU 93 CO 0.14 0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 175.91 1aqz s LEU 94 N -2.10 2.52 0.03 1.79 1.43 0.44 -1.16 118.68 121.64 1aqz s LEU 94 Ca 0.34 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1aqz s LEU 94 Cb -0.13 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1aqz s LEU 94 CO 0.20 0.23 -0.25 -1.83 0.23 0.00 0.00 176.35 174.92 1aqz s GLU 95 N -1.68 1.82 -0.04 1.70 -1.05 -0.02 -2.07 118.70 117.35 1aqz s GLU 95 Ca 0.15 -1.04 -0.05 0.00 -0.15 0.00 0.00 54.97 53.88 1aqz s GLU 95 Cb -0.10 -1.93 0.01 0.00 -0.44 0.00 0.00 34.13 31.67 1aqz s GLU 95 CO 0.06 0.51 0.12 0.12 0.95 0.00 0.00 175.26 177.02 1aqz s PHE 96 N -0.75 -0.11 0.36 4.83 5.36 -0.76 -2.71 117.98 124.21 1aqz s PHE 96 Ca 0.11 0.26 -0.28 0.00 -0.96 0.00 0.00 56.93 56.05 1aqz s PHE 96 Cb -0.10 0.03 -0.11 0.00 -0.34 0.00 0.00 43.02 42.50 1aqz s PHE 96 CO 0.01 -0.10 1.46 -2.14 -1.46 0.00 0.00 175.22 172.99 1aqz s PRO 97 N -0.15 4.16 0.04 10.12 0.02 -1.26 -0.32 135.00 147.61 1aqz s PRO 97 Ca -0.02 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.51 1aqz s PRO 97 Cb -0.02 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.48 1aqz s PRO 97 CO 0.00 -0.47 -0.05 -0.08 -0.33 0.00 0.00 177.00 176.07 1aqz s THR 98 N -1.05 0.34 0.11 0.99 -1.32 -0.77 -4.66 115.64 109.27 1aqz s THR 98 Ca 0.53 -1.18 0.03 0.00 -1.21 0.00 0.00 61.69 59.86 1aqz s THR 98 Cb -0.45 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1aqz s THR 98 CO 0.60 -0.55 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.02 1aqz s PHE 99 N -1.92 0.99 0.35 9.09 0.08 -1.26 -4.36 117.98 120.95 1aqz s PHE 99 Ca -0.08 -0.80 0.05 0.00 0.12 0.00 0.00 56.93 56.21 1aqz s PHE 99 Cb -0.06 -0.55 0.69 0.00 -0.57 0.00 0.00 43.02 42.53 1aqz s PHE 99 CO -0.02 -0.06 1.94 -1.35 -0.10 0.00 0.00 175.22 175.63 1aqz h PRO 100 N 3.15 0.80 0.00 0.24 0.11 -1.99 -1.05 132.00 133.26 1aqz h PRO 100 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1aqz h PRO 100 Cb 1.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1aqz h PRO 100 CO 0.60 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 1aqz n ASP 101 N -4.48 0.48 0.00 -2.05 5.68 -1.26 -4.70 116.55 110.21 1aqz n ASP 101 Ca 0.12 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 1aqz n ASP 101 Cb 0.23 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1aqz n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aqz n GLY 102 N 0.53 0.93 3.75 6.12 0.00 -0.40 -5.02 105.19 111.11 1aqz n GLY 102 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1aqz n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aqz s HIS 103 N -3.75 2.41 -0.21 1.61 -3.43 -1.26 -4.86 115.29 105.79 1aqz s HIS 103 Ca 0.00 1.53 -0.29 0.00 -0.80 0.00 0.00 55.06 55.51 1aqz s HIS 103 Cb 0.00 -3.43 0.01 0.00 -1.43 0.00 0.00 32.58 27.73 1aqz s HIS 103 CO 0.00 -2.13 1.02 -0.51 -2.00 0.00 0.00 174.74 171.11 1aqz s ASP 104 N -1.76 7.09 0.30 7.38 1.01 -1.26 -4.66 116.67 124.77 1aqz s ASP 104 Ca 0.76 1.37 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 1aqz s ASP 104 Cb -0.28 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.00 1aqz s ASP 104 CO 0.34 -0.63 1.61 0.00 0.21 0.00 0.00 175.17 176.71 1aqz n TYR 105 N 6.11 2.90 -2.56 4.23 9.36 -1.26 -4.91 117.16 131.04 1aqz n TYR 105 Ca 0.11 0.24 -0.41 0.00 3.32 0.00 0.00 57.90 61.16 1aqz n TYR 105 Cb 0.47 -2.61 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 1aqz n TYR 105 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1aqz s LYS 106 N -0.51 3.64 0.58 2.98 3.01 -1.26 -4.82 119.74 123.37 1aqz s LYS 106 Ca 0.64 -1.25 0.38 0.00 -1.01 0.00 0.00 55.97 54.73 1aqz s LYS 106 Cb -0.49 -5.39 1.88 0.00 -1.01 0.00 0.00 37.83 32.83 1aqz s LYS 106 CO 0.48 -2.23 2.15 0.27 0.51 0.00 0.00 175.35 176.53 1aqz h PHE 107 N 9.47 0.00 -0.42 3.18 -5.15 -1.91 -1.67 116.94 120.44 1aqz h PHE 107 Ca 0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.01 1aqz h PHE 107 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1aqz h PHE 107 CO 1.30 0.00 0.00 -0.25 -2.00 0.00 0.00 178.31 177.36 1aqz n ASP 108 N -2.99 3.47 -4.71 -0.68 8.00 -1.26 -1.43 116.55 116.95 1aqz n ASP 108 Ca -0.01 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1aqz n ASP 108 Cb 0.17 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1aqz n ASP 108 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aqz s SER 109 N -1.44 6.56 -0.03 -2.24 1.04 -0.63 -4.19 113.70 112.77 1aqz s SER 109 Ca 0.40 2.61 -0.03 0.00 0.48 0.00 0.00 55.95 59.41 1aqz s SER 109 Cb 0.23 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.77 1aqz s SER 109 CO 0.32 -0.86 0.08 -0.75 0.98 0.00 0.00 173.24 173.01 1aqz s LYS 110 N 1.64 0.10 -0.02 4.02 2.20 -1.26 -2.59 119.74 123.83 1aqz s LYS 110 Ca 0.72 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 56.42 1aqz s LYS 110 Cb -0.43 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.94 1aqz s LYS 110 CO 0.32 -0.01 0.02 1.63 -0.36 0.00 0.00 175.35 176.95 1aqz n LYS 111 N 3.01 -0.10 -3.45 4.03 4.01 -1.26 -4.41 118.16 120.00 1aqz n LYS 111 Ca -0.12 0.14 -0.34 0.00 -0.51 0.00 0.00 58.31 57.47 1aqz n LYS 111 Cb 0.59 -0.18 -0.06 0.00 -0.51 0.00 0.00 35.03 34.88 1aqz n LYS 111 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1aqz s PRO 112 N -0.20 3.86 0.10 1.97 0.04 -1.26 -5.14 135.00 134.36 1aqz s PRO 112 Ca 0.01 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 1aqz s PRO 112 Cb -0.00 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 1aqz s PRO 112 CO 0.03 0.47 1.07 0.21 0.04 0.00 0.00 177.00 178.83 1aqz s LYS 113 N -2.14 4.56 0.36 4.56 2.20 -1.26 -4.84 119.74 123.18 1aqz s LYS 113 Ca 0.38 1.62 -0.28 0.00 -0.36 0.00 0.00 55.97 57.33 1aqz s LYS 113 Cb -0.14 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 32.72 1aqz s LYS 113 CO 0.19 -0.02 1.42 -2.00 -0.36 0.00 0.00 175.35 174.59 1aqz s GLU 114 N 0.38 4.20 -0.01 4.03 2.12 -1.26 -4.91 118.70 123.25 1aqz s GLU 114 Ca 0.52 2.45 -0.30 0.00 0.36 0.00 0.00 54.97 58.00 1aqz s GLU 114 Cb -0.26 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 1aqz s GLU 114 CO 0.31 -0.41 1.78 1.21 -0.54 0.00 0.00 175.26 177.61 1aqz s ASN 115 N -0.25 6.57 0.16 -1.70 3.84 -1.26 -4.88 114.94 117.42 1aqz s ASN 115 Ca 0.52 2.44 0.26 0.00 0.21 0.00 0.00 52.86 56.28 1aqz s ASN 115 Cb -0.44 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.64 1aqz s ASN 115 CO 0.59 -0.98 1.78 -0.81 -2.79 0.00 0.00 177.10 174.90 1aqz n PRO 116 N 7.18 0.18 0.00 0.43 -0.04 -1.26 -5.04 135.00 136.45 1aqz n PRO 116 Ca 0.18 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1aqz n PRO 116 Cb 0.42 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1aqz n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aqz n GLY 117 N 1.07 -1.04 0.03 0.55 0.00 -1.26 -4.46 105.19 100.07 1aqz n GLY 117 Ca 0.05 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1aqz n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aqz n PRO 118 N -0.55 0.34 -4.01 1.61 -0.04 -1.26 -4.69 135.00 126.40 1aqz n PRO 118 Ca 0.00 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 1aqz n PRO 118 Cb 0.00 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1aqz n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqz s ALA 119 N -3.24 3.76 0.00 0.55 0.00 -1.26 -0.94 121.76 120.63 1aqz s ALA 119 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1aqz s ALA 119 Cb 0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1aqz s ALA 119 CO 0.83 0.70 -0.08 1.03 0.00 0.00 0.00 175.76 178.24 1aqz s ARG 120 N -1.71 0.67 -0.09 0.00 1.81 -0.29 -1.85 118.95 117.48 1aqz s ARG 120 Ca 0.23 -0.36 -0.18 0.00 -1.72 0.00 0.00 55.73 53.70 1aqz s ARG 120 Cb -0.12 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.70 1aqz s ARG 120 CO 0.14 0.17 0.49 0.54 -0.68 0.00 0.00 175.30 175.96 1aqz s VAL 121 N -0.32 5.14 -0.16 3.52 0.11 0.57 -1.31 120.40 127.94 1aqz s VAL 121 Ca 0.02 0.99 -0.06 0.00 -2.93 0.00 0.00 61.98 60.00 1aqz s VAL 121 Cb -0.04 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1aqz s VAL 121 CO -0.00 0.36 0.05 -0.63 -3.33 0.00 0.00 175.10 171.54 1aqz s ILE 122 N 0.39 4.70 0.21 7.04 -1.09 -0.21 -1.82 121.20 130.42 1aqz s ILE 122 Ca 0.27 -0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.50 1aqz s ILE 122 Cb -0.16 -3.08 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1aqz s ILE 122 CO 0.12 0.50 0.38 -0.72 -1.23 0.00 0.00 174.94 173.99 1aqz s TYR 123 N 0.05 0.40 0.38 3.97 1.13 -0.88 -0.68 117.35 121.73 1aqz s TYR 123 Ca 0.05 -0.75 -0.09 0.00 -1.41 0.00 0.00 57.07 54.87 1aqz s TYR 123 Cb -0.12 0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.73 1aqz s TYR 123 CO 0.01 -0.86 0.73 0.95 -2.51 0.00 0.00 175.55 173.87 1aqz s THR 124 N -4.00 4.83 -0.08 -3.49 -4.23 -0.08 -0.42 115.64 108.17 1aqz s THR 124 Ca 0.21 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 1aqz s THR 124 Cb 0.01 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1aqz s THR 124 CO 0.05 -0.48 -0.20 -0.47 -0.54 0.00 0.00 174.62 172.98 1aqz s TYR 125 N -2.31 2.60 -2.71 3.99 6.14 0.05 -0.95 117.35 124.16 1aqz s TYR 125 Ca 0.50 -0.61 0.26 0.00 0.64 0.00 0.00 57.07 57.85 1aqz s TYR 125 Cb -0.10 -1.68 0.54 0.00 0.42 0.00 0.00 41.96 41.14 1aqz s TYR 125 CO 0.31 -0.15 1.45 -0.35 0.64 0.00 0.00 175.55 177.45 1aqz n PRO 126 N 3.01 1.95 0.00 4.97 -0.04 -1.26 -2.06 135.00 141.57 1aqz n PRO 126 Ca -0.18 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 61.96 1aqz n PRO 126 Cb 0.52 -1.47 0.29 0.00 -0.04 0.00 0.00 33.50 32.80 1aqz n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aqz n ASN 127 N 0.74 1.90 -3.72 3.54 3.02 -1.24 -4.97 115.26 114.53 1aqz n ASN 127 Ca 0.16 -1.51 -0.26 0.00 -0.03 0.00 0.00 54.58 52.93 1aqz n ASN 127 Cb 0.49 0.11 0.06 0.00 -0.61 0.00 0.00 39.78 39.82 1aqz n ASN 127 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aqz n LYS 128 N 0.30 -7.11 -2.52 3.52 5.02 -0.13 -4.94 118.16 112.29 1aqz n LYS 128 Ca 0.15 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 1aqz n LYS 128 Cb 0.44 -5.75 -0.04 0.00 -0.02 0.00 0.00 35.03 29.67 1aqz n LYS 128 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aqz s VAL 129 N -3.31 4.05 -0.05 -0.18 1.01 -1.26 -4.64 120.40 116.03 1aqz s VAL 129 Ca 0.62 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.95 1aqz s VAL 129 Cb -0.29 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1aqz s VAL 129 CO 0.77 0.22 1.37 0.12 0.00 0.00 0.00 175.10 177.58 1aqz s PHE 130 N 0.25 2.80 -0.28 5.22 5.36 -1.26 -0.91 117.98 129.17 1aqz s PHE 130 Ca 0.52 0.84 -0.12 0.00 -0.96 0.00 0.00 56.93 57.21 1aqz s PHE 130 Cb -0.28 -3.62 -0.13 0.00 -0.34 0.00 0.00 43.02 38.65 1aqz s PHE 130 CO 0.32 -2.29 -0.34 0.00 -1.46 0.00 0.00 175.22 171.45 1aqz n GLY 132 N 1.37 -2.00 3.43 0.00 0.00 -1.17 -4.91 105.19 101.92 1aqz n GLY 132 Ca -0.54 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1aqz n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aqz s ILE 133 N -2.12 3.39 0.24 -0.61 1.01 -1.26 -1.04 121.20 120.81 1aqz s ILE 133 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1aqz s ILE 133 Cb 0.00 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1aqz s ILE 133 CO 0.00 0.52 -0.06 0.68 0.00 0.00 0.00 174.94 176.08 1aqz s VAL 134 N 0.23 1.47 -0.03 2.92 -7.23 -0.43 -1.40 120.40 115.93 1aqz s VAL 134 Ca -0.06 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.88 1aqz s VAL 134 Cb -0.15 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1aqz s VAL 134 CO 0.04 -0.40 0.25 0.00 -0.31 0.00 0.00 175.10 174.69 1aqz s ALA 135 N -3.13 -0.63 0.32 1.32 0.00 0.26 -1.14 121.76 118.75 1aqz s ALA 135 Ca 0.27 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1aqz s ALA 135 Cb 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 1aqz s ALA 135 CO 0.09 -0.21 1.51 -1.01 0.00 0.00 0.00 175.76 176.14 1aqz s HIS 136 N -0.93 2.77 0.11 0.00 3.76 -0.12 -0.37 115.29 120.52 1aqz s HIS 136 Ca -0.10 1.01 -0.18 0.00 -0.15 0.00 0.00 55.06 55.63 1aqz s HIS 136 Cb -0.05 -3.98 -0.05 0.00 1.11 0.00 0.00 32.58 29.61 1aqz s HIS 136 CO 0.02 -3.08 1.66 1.96 -0.85 0.00 0.00 174.74 174.46 1aqz h GLN 137 N 4.15 0.42 -4.22 1.40 4.20 -1.61 -3.43 115.11 116.02 1aqz h GLN 137 Ca -0.48 -0.07 -0.47 0.00 0.06 0.00 0.00 58.65 57.69 1aqz h GLN 137 Cb 1.23 -0.07 -0.35 0.00 0.30 0.00 0.00 27.48 28.59 1aqz h GLN 137 CO 0.73 0.43 -0.79 1.03 -0.67 0.00 0.00 178.83 179.56 1aqz s ARG 138 N -5.59 1.23 4.13 1.46 3.00 -1.26 -1.02 118.95 120.90 1aqz s ARG 138 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 55.73 55.38 1aqz s ARG 138 Cb 0.09 -1.17 0.00 0.00 0.00 0.00 0.00 34.95 33.87 1aqz s ARG 138 CO 0.72 -0.09 0.00 0.41 0.00 0.00 0.00 175.30 176.35 1aqz n GLY 139 N 4.19 1.13 1.03 -3.53 0.00 -0.42 -4.07 105.19 103.53 1aqz n GLY 139 Ca -0.21 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.28 1aqz n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aqz n ASN 140 N -2.28 4.10 -3.92 1.61 5.03 -1.26 -4.57 115.26 113.97 1aqz n ASN 140 Ca 0.00 -3.03 -0.08 0.00 0.87 0.00 0.00 54.58 52.35 1aqz n ASN 140 Cb 0.00 -0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 38.16 1aqz n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1aqz s GLN 141 N -2.84 1.69 0.00 3.52 0.00 -1.26 -4.85 119.66 115.93 1aqz s GLN 141 Ca 0.44 -1.09 0.00 0.00 -0.00 0.00 0.00 55.36 54.70 1aqz s GLN 141 Cb 0.35 0.55 0.00 0.00 0.00 0.00 0.00 33.01 33.92 1aqz s GLN 141 CO 0.10 -0.75 0.00 0.41 0.00 0.00 0.00 175.29 175.05 1aqz n GLY 142 N -0.43 -0.54 3.77 2.60 0.00 -1.26 -4.61 105.19 104.72 1aqz n GLY 142 Ca -0.03 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1aqz n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aqz s ASP 143 N -4.00 6.33 -0.03 1.61 1.01 -1.26 -4.89 116.67 115.44 1aqz s ASP 143 Ca 0.00 2.90 0.01 0.00 0.71 0.00 0.00 52.55 56.17 1aqz s ASP 143 Cb 0.00 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 1aqz s ASP 143 CO 0.00 -0.87 -0.03 -0.76 0.21 0.00 0.00 175.17 173.72 1aqz s LEU 144 N -2.21 3.35 0.01 1.23 1.43 -1.26 -1.70 118.68 119.53 1aqz s LEU 144 Ca 0.54 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1aqz s LEU 144 Cb -0.43 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1aqz s LEU 144 CO 0.58 0.32 -0.11 -0.13 0.23 0.00 0.00 176.35 177.24 1aqz s ARG 145 N -1.21 0.82 0.17 1.70 3.00 0.50 -4.90 118.95 119.04 1aqz s ARG 145 Ca 0.16 -0.50 -0.31 0.00 0.00 0.00 0.00 55.73 55.08 1aqz s ARG 145 Cb -0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 34.95 33.96 1aqz s ARG 145 CO 0.06 0.21 1.39 -1.17 0.00 0.00 0.00 175.30 175.78 1aqz s LEU 146 N -0.60 4.39 0.57 2.53 2.96 -1.26 -0.58 118.68 126.69 1aqz s LEU 146 Ca 0.02 2.43 -0.13 0.00 -0.22 0.00 0.00 54.13 56.23 1aqz s LEU 146 Cb -0.05 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 1aqz s LEU 146 CO 0.00 -0.63 1.00 0.00 -1.32 0.00 0.00 176.35 175.39 1aqz s SER 148 N -3.71 5.87 0.00 0.00 1.04 -0.58 -4.85 113.70 111.46 1aqz s SER 148 Ca 0.56 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1aqz s SER 148 Cb -0.11 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1aqz s SER 148 CO 0.44 -0.58 0.00 0.00 0.98 0.00 0.00 173.24 174.08