#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzx s THR 3 N 0.00 4.67 0.57 3.15 2.01 -1.26 -5.00 115.64 119.77 1tzx s THR 3 Ca 0.00 1.97 -0.21 0.00 0.31 0.00 0.00 61.69 63.76 1tzx s THR 3 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1tzx s THR 3 CO 0.00 -0.09 1.30 -2.65 -0.69 0.00 0.00 174.62 172.50 1tzx n PRO 4 N 5.70 1.51 -0.30 4.92 -0.02 -1.26 -4.86 135.00 140.69 1tzx n PRO 4 Ca 0.11 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1tzx n PRO 4 Cb 0.47 -2.51 0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1tzx n PRO 4 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1tzx h ARG 5 N 1.19 1.17 -0.54 -0.52 2.43 -1.99 -1.69 114.38 114.42 1tzx h ARG 5 Ca -0.50 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1tzx h ARG 5 Cb 1.32 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1tzx h ARG 5 CO 0.56 0.79 0.32 0.00 -1.51 0.00 0.00 179.97 180.12 1tzx h ARG 6 N 1.20 0.73 -0.06 0.20 3.08 -1.99 -0.38 114.38 117.16 1tzx h ARG 6 Ca 0.32 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 60.07 1tzx h ARG 6 Cb -0.11 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.80 1tzx h ARG 6 CO -0.07 0.52 -0.92 -0.09 -1.07 0.00 0.00 179.97 178.35 1tzx h ARG 7 N 0.74 0.66 -0.30 0.04 2.43 -1.69 -1.27 114.38 114.99 1tzx h ARG 7 Ca 0.19 -0.64 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1tzx h ARG 7 Cb -0.02 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1tzx h ARG 7 CO -0.04 1.24 0.17 1.98 -1.51 0.00 0.00 179.97 181.82 1tzx h MET 8 N 0.41 0.40 -0.38 0.20 4.05 -1.05 -1.75 114.93 116.81 1tzx h MET 8 Ca -0.09 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.22 1tzx h MET 8 Cb 1.55 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 1tzx h MET 8 CO 0.18 0.32 -0.04 -0.09 0.23 0.00 0.00 176.91 177.51 1tzx h ARG 9 N 0.37 0.63 -0.08 0.39 2.43 -1.03 -2.03 114.38 115.06 1tzx h ARG 9 Ca 0.11 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1tzx h ARG 9 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1tzx h ARG 9 CO -0.02 0.68 -0.30 1.25 -1.51 0.00 0.00 179.97 180.07 1tzx h LEU 10 N 0.59 0.16 -0.59 3.80 5.85 -0.86 -0.34 115.31 123.92 1tzx h LEU 10 Ca 0.12 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1tzx h LEU 10 Cb 0.43 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1tzx h LEU 10 CO 0.02 0.46 0.03 0.00 -0.34 0.00 0.00 178.44 178.61 1tzx h ALA 11 N 1.55 0.79 -0.30 1.25 0.00 -0.61 0.77 119.26 122.71 1tzx h ALA 11 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1tzx h ALA 11 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1tzx h ALA 11 CO 0.04 0.61 0.16 0.28 0.00 0.00 0.00 179.25 180.35 1tzx h VAL 12 N 0.92 1.13 -0.52 0.00 2.07 -0.99 -1.54 116.25 117.32 1tzx h VAL 12 Ca 0.17 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1tzx h VAL 12 Cb 0.52 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1tzx h VAL 12 CO 0.03 0.13 0.31 0.15 0.02 0.00 0.00 177.57 178.20 1tzx h PHE 13 N 0.36 0.69 -1.01 1.57 3.57 -0.81 -2.05 116.94 119.26 1tzx h PHE 13 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1tzx h PHE 13 Cb 0.06 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 1tzx h PHE 13 CO -0.03 0.48 0.67 0.87 -2.23 0.00 0.00 178.31 178.06 1tzx h LYS 14 N 0.70 1.31 -0.36 1.11 1.57 -0.62 0.28 116.57 120.56 1tzx h LYS 14 Ca 0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1tzx h LYS 14 Cb -0.01 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1tzx h LYS 14 CO -0.03 0.86 0.13 0.00 -0.57 0.00 0.00 179.45 179.84 1tzx h ALA 15 N 1.38 0.47 -0.51 3.86 0.00 -0.91 0.30 119.26 123.85 1tzx h ALA 15 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tzx h ALA 15 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1tzx h ALA 15 CO -0.09 0.09 0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1tzx h LEU 16 N 0.43 0.59 0.21 0.00 3.38 -0.78 -0.38 115.31 118.76 1tzx h LEU 16 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1tzx h LEU 16 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1tzx h LEU 16 CO -0.01 0.44 -0.10 0.15 0.09 0.00 0.00 178.44 179.01 1tzx h PHE 17 N 0.69 -0.26 -0.34 1.13 3.04 -0.75 -2.96 116.94 117.48 1tzx h PHE 17 Ca 0.18 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1tzx h PHE 17 Cb -0.06 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1tzx h PHE 17 CO -0.04 -0.14 0.09 1.96 -2.02 0.00 0.00 178.31 178.17 1tzx h GLN 18 N -0.32 0.50 0.00 1.11 4.20 -0.70 -2.35 115.11 117.54 1tzx h GLN 18 Ca -0.03 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1tzx h GLN 18 Cb 0.25 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1tzx h GLN 18 CO 0.05 0.45 -0.15 1.25 -0.67 0.00 0.00 178.83 179.76 1tzx h HIS 19 N 0.49 0.00 0.00 2.96 2.76 -0.91 -2.08 115.15 118.37 1tzx h HIS 19 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1tzx h HIS 19 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1tzx h HIS 19 CO 0.01 0.15 0.05 0.93 -1.30 0.00 0.00 177.93 177.77 1tzx h GLU 20 N 0.00 0.00 -0.05 5.26 4.39 -1.31 -0.74 114.58 122.13 1tzx h GLU 20 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tzx h GLU 20 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1tzx h GLU 20 CO 0.02 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.06 1tzx n PHE 21 N -2.92 0.06 -2.70 4.33 3.01 -0.79 -4.64 117.46 113.81 1tzx n PHE 21 Ca -0.03 -0.43 -0.07 0.00 1.01 0.00 0.00 57.45 57.94 1tzx n PHE 21 Cb 0.11 -0.04 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 1tzx n PHE 21 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1tzx n ARG 22 N -0.28 1.26 0.20 -1.08 1.74 -0.34 -4.95 116.66 113.22 1tzx n ARG 22 Ca 0.02 -3.07 0.14 0.00 -0.77 0.00 0.00 57.85 54.17 1tzx n ARG 22 Cb 0.24 -1.12 0.74 0.00 -1.02 0.00 0.00 32.46 31.30 1tzx n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tzx h ARG 23 N 2.75 0.00 0.00 5.56 3.08 -1.67 -0.08 114.38 124.02 1tzx h ARG 23 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1tzx h ARG 23 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1tzx h ARG 23 CO 0.35 0.00 -0.23 -0.40 -1.07 0.00 0.00 179.97 178.62 1tzx n ASP 24 N -2.46 0.55 -4.96 7.04 3.85 -1.26 -4.84 116.55 114.46 1tzx n ASP 24 Ca -0.02 0.33 -0.22 0.00 -0.71 0.00 0.00 54.79 54.17 1tzx n ASP 24 Cb 0.05 -0.33 -0.00 0.00 -1.35 0.00 0.00 41.12 39.48 1tzx n ASP 24 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1tzx s GLU 25 N -3.08 3.27 -0.16 0.11 2.02 -0.04 -5.06 118.70 115.76 1tzx s GLU 25 Ca 0.10 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 54.24 1tzx s GLU 25 Cb 0.15 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 1tzx s GLU 25 CO 0.63 0.05 0.86 0.34 0.02 0.00 0.00 175.26 177.16 1tzx s ASP 26 N -4.11 7.00 0.30 -0.19 3.68 -1.26 -4.94 116.67 117.16 1tzx s ASP 26 Ca 0.43 1.24 0.07 0.00 2.13 0.00 0.00 52.55 56.41 1tzx s ASP 26 Cb -0.10 -2.47 0.79 0.00 -1.45 0.00 0.00 42.92 39.69 1tzx s ASP 26 CO 0.34 -0.41 1.74 0.25 0.13 0.00 0.00 175.17 177.22 1tzx h LEU 27 N 8.28 0.63 -1.17 -1.34 5.85 -1.95 0.41 115.31 126.02 1tzx h LEU 27 Ca -0.29 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1tzx h LEU 27 Cb 1.13 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1tzx h LEU 27 CO 0.84 0.14 0.57 -0.33 -0.34 0.00 0.00 178.44 179.32 1tzx h GLU 28 N 0.60 1.04 -0.27 1.25 5.08 -1.93 -1.60 114.58 118.76 1tzx h GLU 28 Ca 0.60 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.75 1tzx h GLU 28 Cb 1.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1tzx h GLU 28 CO -0.45 0.69 -0.42 1.96 -1.00 0.00 0.00 179.01 179.79 1tzx h GLN 29 N 1.07 0.67 -0.74 2.33 1.08 -1.34 -2.46 115.11 115.73 1tzx h GLN 29 Ca 0.34 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1tzx h GLN 29 Cb 0.03 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1tzx h GLN 29 CO -0.10 0.97 0.33 0.82 -0.95 0.00 0.00 178.83 179.89 1tzx h ILE 30 N 0.55 1.24 -0.60 2.54 2.04 -0.76 -2.08 117.51 120.43 1tzx h ILE 30 Ca 0.04 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 1tzx h ILE 30 Cb 0.96 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1tzx h ILE 30 CO 0.09 0.30 0.09 0.25 0.00 0.00 0.00 178.15 178.88 1tzx h LEU 31 N 1.06 0.93 -1.66 1.44 6.46 -1.11 -2.18 115.31 120.25 1tzx h LEU 31 Ca 0.25 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1tzx h LEU 31 Cb 0.15 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1tzx h LEU 31 CO -0.03 0.94 -0.20 -0.33 -0.62 0.00 0.00 178.44 178.20 1tzx h GLU 32 N 0.92 0.00 -0.19 1.25 4.39 -0.92 0.22 114.58 120.25 1tzx h GLU 32 Ca 0.19 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1tzx h GLU 32 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1tzx h GLU 32 CO 0.01 0.20 -0.40 0.93 -1.16 0.00 0.00 179.01 178.58 1tzx h GLU 33 N 0.00 0.43 0.08 2.33 5.08 -0.79 -3.23 114.58 118.48 1tzx h GLU 33 Ca -0.00 -0.21 -0.21 0.00 -1.00 0.00 0.00 59.36 57.93 1tzx h GLU 33 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1tzx h GLU 33 CO 0.03 0.77 -0.87 0.82 -1.00 0.00 0.00 179.01 178.76 1tzx h ILE 34 N 0.36 1.40 -3.95 3.13 2.04 -0.99 -3.45 117.51 116.05 1tzx h ILE 34 Ca 0.03 -2.33 -0.51 0.00 1.00 0.00 0.00 64.86 63.05 1tzx h ILE 34 Cb 0.87 2.79 0.06 0.00 -0.74 0.00 0.00 36.82 39.80 1tzx h ILE 34 CO 0.07 0.68 0.53 -0.76 0.00 0.00 0.00 178.15 178.68 1tzx s LEU 35 N -8.07 4.18 0.00 1.44 1.43 -0.05 -5.00 118.68 112.62 1tzx s LEU 35 Ca -0.12 2.43 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1tzx s LEU 35 Cb 0.03 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1tzx s LEU 35 CO 0.86 -0.75 0.00 -0.90 0.23 0.00 0.00 176.35 175.79 1tzx n ASP 36 N 0.04 -0.00 0.24 2.29 5.68 -1.26 -4.89 116.55 118.64 1tzx n ASP 36 Ca 0.04 -1.00 0.18 0.00 -0.50 0.00 0.00 54.79 53.51 1tzx n ASP 36 Cb 0.46 0.01 0.88 0.00 -1.14 0.00 0.00 41.12 41.32 1tzx n ASP 36 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1tzx h GLU 37 N 0.00 0.00 0.00 0.11 9.09 -2.01 -0.79 114.58 120.98 1tzx h GLU 37 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tzx h GLU 37 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1tzx h GLU 37 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 1tzx n THR 38 N -3.48 0.96 -4.24 -1.06 -2.24 -1.26 -4.59 114.28 98.37 1tzx n THR 38 Ca 0.01 0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 1tzx n THR 38 Cb 0.33 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.45 1tzx n THR 38 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1tzx s TYR 39 N -3.02 3.12 0.92 4.78 1.51 -0.30 -4.89 117.35 119.46 1tzx s TYR 39 Ca 0.07 -0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 55.84 1tzx s TYR 39 Cb 0.10 -2.01 0.15 0.00 -0.11 0.00 0.00 41.96 40.09 1tzx s TYR 39 CO 0.28 0.04 1.21 0.16 -1.11 0.00 0.00 175.55 176.13 1tzx s ASP 40 N 0.37 3.48 0.20 2.29 3.84 -1.26 -4.76 116.67 120.83 1tzx s ASP 40 Ca -0.01 0.64 -0.13 0.00 -0.00 0.00 0.00 52.55 53.04 1tzx s ASP 40 Cb -0.13 -0.98 0.22 0.00 -1.38 0.00 0.00 42.92 40.65 1tzx s ASP 40 CO 0.02 -2.53 1.65 0.50 -0.00 0.00 0.00 175.17 174.80 1tzx h LYS 41 N -1.49 0.04 -0.50 2.11 3.64 -1.98 -1.25 116.57 117.13 1tzx h LYS 41 Ca -0.46 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1tzx h LYS 41 Cb 1.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1tzx h LYS 41 CO 0.53 0.02 0.20 -0.22 -2.27 0.00 0.00 179.45 177.72 1tzx h LYS 42 N 0.04 0.75 -0.79 1.90 3.64 -1.99 -0.97 116.57 119.15 1tzx h LYS 42 Ca 0.29 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1tzx h LYS 42 Cb 0.45 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1tzx h LYS 42 CO -0.56 0.66 0.29 0.00 -2.27 0.00 0.00 179.45 177.58 1tzx h ALA 43 N 1.05 1.02 -0.46 5.00 0.00 -1.77 0.11 119.26 124.21 1tzx h ALA 43 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1tzx h ALA 43 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1tzx h ALA 43 CO -0.01 0.67 0.05 0.87 0.00 0.00 0.00 179.25 180.83 1tzx h LYS 44 N 1.15 0.77 -0.37 0.00 1.57 -0.99 0.36 116.57 119.07 1tzx h LYS 44 Ca 0.26 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1tzx h LYS 44 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1tzx h LYS 44 CO -0.02 0.80 0.18 1.49 -0.57 0.00 0.00 179.45 181.34 1tzx h GLU 45 N 0.63 0.53 -0.16 3.15 4.81 -0.88 -1.25 114.58 121.41 1tzx h GLU 45 Ca 0.14 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1tzx h GLU 45 Cb 0.42 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1tzx h GLU 45 CO 0.01 0.47 0.00 -0.44 -0.73 0.00 0.00 179.01 178.33 1tzx h ASP 46 N 0.46 0.28 -0.89 1.04 3.32 -0.66 -1.68 116.42 118.29 1tzx h ASP 46 Ca 0.13 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1tzx h ASP 46 Cb 0.11 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1tzx h ASP 46 CO -0.02 0.51 0.58 0.00 -1.72 0.00 0.00 179.24 178.59 1tzx h ALA 47 N 0.77 1.13 -0.63 3.45 0.00 -0.81 -0.08 119.26 123.10 1tzx h ALA 47 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1tzx h ALA 47 Cb 0.37 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1tzx h ALA 47 CO 0.01 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.85 1tzx h ARG 48 N 1.21 1.08 -0.59 0.00 3.08 -1.17 -1.35 114.38 116.64 1tzx h ARG 48 Ca 0.32 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1tzx h ARG 48 Cb -0.12 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1tzx h ARG 48 CO -0.07 1.03 0.20 -0.09 -1.07 0.00 0.00 179.97 179.97 1tzx h ARG 49 N 0.99 0.91 -0.01 0.04 2.43 -0.58 -1.47 114.38 116.70 1tzx h ARG 49 Ca 0.18 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1tzx h ARG 49 Cb 0.51 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1tzx h ARG 49 CO 0.02 0.81 0.00 1.88 -1.51 0.00 0.00 179.97 181.17 1tzx h TYR 50 N 0.83 0.01 -0.86 2.20 -1.99 -0.81 0.56 116.97 116.91 1tzx h TYR 50 Ca 0.19 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1tzx h TYR 50 Cb 0.26 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.95 1tzx h TYR 50 CO 0.02 0.08 0.51 0.82 -0.00 0.00 0.00 178.16 179.59 1tzx h ILE 51 N -0.07 1.24 -0.34 -2.88 1.08 -1.12 0.20 117.51 115.63 1tzx h ILE 51 Ca 0.00 -0.54 -0.13 0.00 -0.39 0.00 0.00 64.86 63.81 1tzx h ILE 51 Cb 0.08 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.85 1tzx h ILE 51 CO -0.00 0.25 -0.30 0.03 -0.69 0.00 0.00 178.15 177.44 1tzx h ARG 52 N 1.19 0.80 -0.73 2.37 3.08 -1.12 -0.36 114.38 119.61 1tzx h ARG 52 Ca 0.31 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1tzx h ARG 52 Cb -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1tzx h ARG 52 CO -0.06 1.04 0.33 0.78 -1.07 0.00 0.00 179.97 180.99 1tzx h GLY 53 N 0.57 1.13 0.80 0.04 0.00 -0.36 -0.95 103.07 104.30 1tzx h GLY 53 Ca 0.06 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 1tzx h GLY 53 CO 0.08 0.54 -0.53 -2.22 0.00 0.00 0.00 176.54 174.41 1tzx h ILE 54 N 1.04 1.41 -0.85 2.60 2.04 -0.50 -2.86 117.51 120.38 1tzx h ILE 54 Ca 0.25 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1tzx h ILE 54 Cb 0.14 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1tzx h ILE 54 CO -0.03 0.57 0.55 0.50 0.00 0.00 0.00 178.15 179.74 1tzx h LYS 55 N -0.04 1.13 0.00 2.37 3.64 -0.87 0.99 116.57 123.78 1tzx h LYS 55 Ca -0.05 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1tzx h LYS 55 Cb 1.21 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1tzx h LYS 55 CO 0.11 0.76 -0.22 1.05 -2.27 0.00 0.00 179.45 178.88 1tzx h GLU 56 N 1.16 0.00 -0.03 1.90 4.11 -1.25 -3.30 114.58 117.17 1tzx h GLU 56 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1tzx h GLU 56 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1tzx h GLU 56 CO -0.06 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.11 1tzx n ASN 57 N -2.79 2.41 -0.33 3.06 3.02 -1.02 -4.80 115.26 114.81 1tzx n ASN 57 Ca 0.04 -2.85 0.06 0.00 -0.03 0.00 0.00 54.58 51.79 1tzx n ASN 57 Cb 0.51 -0.35 0.22 0.00 -0.61 0.00 0.00 39.78 39.54 1tzx n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1tzx h LEU 58 N 0.18 0.81 -0.03 3.41 5.85 -0.89 0.01 115.31 124.65 1tzx h LEU 58 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1tzx h LEU 58 Cb 0.93 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1tzx h LEU 58 CO 0.02 0.43 0.01 -1.28 -0.34 0.00 0.00 178.44 177.28 1tzx h SER 59 N 0.89 0.04 -0.80 1.25 0.87 -1.87 0.23 113.55 114.17 1tzx h SER 59 Ca 0.46 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1tzx h SER 59 Cb 0.47 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1tzx h SER 59 CO -0.27 0.20 0.40 -0.03 -0.53 0.00 0.00 176.83 176.60 1tzx h MET 60 N -0.13 1.14 -0.30 2.24 1.85 -1.81 -1.14 114.93 116.78 1tzx h MET 60 Ca 0.01 -0.16 -0.07 0.00 -0.61 0.00 0.00 59.70 58.87 1tzx h MET 60 Cb 0.18 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1tzx h MET 60 CO -0.00 0.87 -0.10 0.82 -0.40 0.00 0.00 176.91 178.10 1tzx h ILE 61 N 1.13 1.29 -0.57 1.77 2.04 -0.87 -1.57 117.51 120.73 1tzx h ILE 61 Ca 0.28 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1tzx h ILE 61 Cb 0.09 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1tzx h ILE 61 CO -0.04 0.37 0.17 0.44 0.00 0.00 0.00 178.15 179.10 1tzx h ASP 62 N 0.36 0.84 -0.61 1.72 5.19 -0.84 -1.28 116.42 121.80 1tzx h ASP 62 Ca 0.07 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.22 1tzx h ASP 62 Cb 0.61 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1tzx h ASP 62 CO 0.04 0.83 0.20 0.44 -3.12 0.00 0.00 179.24 177.62 1tzx h ASP 63 N 0.81 0.91 -0.12 6.45 3.45 -1.14 -0.50 116.42 126.29 1tzx h ASP 63 Ca 0.18 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1tzx h ASP 63 Cb 0.29 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1tzx h ASP 63 CO -0.00 0.86 -0.01 0.25 -1.57 0.00 0.00 179.24 178.77 1tzx h LEU 64 N 0.95 0.21 -1.09 1.55 6.46 -0.96 -3.01 115.31 119.43 1tzx h LEU 64 Ca 0.21 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1tzx h LEU 64 Cb 0.28 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1tzx h LEU 64 CO -0.01 0.49 0.48 0.40 -0.62 0.00 0.00 178.44 179.18 1tzx h ILE 65 N -0.07 1.23 0.00 4.05 2.04 -1.03 -1.96 117.51 121.77 1tzx h ILE 65 Ca 0.03 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1tzx h ILE 65 Cb 0.38 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1tzx h ILE 65 CO 0.01 0.24 0.00 0.28 0.00 0.00 0.00 178.15 178.68 1tzx h SER 66 N 1.13 0.00 0.37 1.72 0.02 -0.96 -1.17 113.55 114.66 1tzx h SER 66 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1tzx h SER 66 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1tzx h SER 66 CO -0.05 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.18 1tzx n ARG 67 N -2.81 0.38 -0.00 3.45 1.74 -0.73 -2.46 116.66 116.22 1tzx n ARG 67 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1tzx n ARG 67 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1tzx n ARG 67 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1tzx n TYR 68 N -1.24 0.01 -4.68 -1.55 4.02 -0.44 -5.03 117.16 108.25 1tzx n TYR 68 Ca 0.12 -0.42 -0.31 0.00 -0.01 0.00 0.00 57.90 57.28 1tzx n TYR 68 Cb 0.17 -0.04 -0.12 0.00 -0.02 0.00 0.00 39.34 39.32 1tzx n TYR 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1tzx s LEU 69 N -0.84 2.72 0.00 7.72 1.43 -1.03 -5.01 118.68 123.67 1tzx s LEU 69 Ca 0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1tzx s LEU 69 Cb 0.00 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1tzx s LEU 69 CO 0.01 0.28 0.00 -0.62 0.23 0.00 0.00 176.35 176.24 1tzx n GLU 70 N 1.70 0.00 0.27 1.70 1.02 -1.26 -4.91 120.64 119.16 1tzx n GLU 70 Ca -0.16 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.82 1tzx n GLU 70 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 1tzx n GLU 70 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1tzx h LYS 71 N 0.00 -0.63 -4.55 3.49 3.64 -2.01 -3.35 116.57 113.16 1tzx h LYS 71 Ca 0.00 0.04 -0.72 0.00 -1.27 0.00 0.00 60.65 58.70 1tzx h LYS 71 Cb 0.00 0.14 -0.21 0.00 -0.41 0.00 0.00 32.23 31.75 1tzx h LYS 71 CO 0.00 -0.42 0.30 -1.58 -2.27 0.00 0.00 179.45 175.48 1tzx s TRP 72 N -6.09 3.23 1.12 1.91 0.52 -1.26 -5.05 118.94 113.32 1tzx s TRP 72 Ca -0.16 -1.35 -0.13 0.00 0.02 0.00 0.00 56.10 54.48 1tzx s TRP 72 Cb 0.04 -4.04 0.26 0.00 -1.15 0.00 0.00 33.47 28.58 1tzx s TRP 72 CO 0.63 -1.27 1.05 -1.54 0.02 0.00 0.00 176.95 175.84 1tzx s SER 73 N 3.24 1.47 0.22 2.95 1.04 -1.26 -4.76 113.70 116.61 1tzx s SER 73 Ca 0.19 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 57.88 1tzx s SER 73 Cb -0.15 -2.10 0.18 0.00 0.10 0.00 0.00 66.02 64.05 1tzx s SER 73 CO -0.02 -3.87 1.87 0.25 0.98 0.00 0.00 173.24 172.45 1tzx h LEU 74 N -2.40 0.99 -0.03 2.42 5.85 -1.95 -2.08 115.31 118.11 1tzx h LEU 74 Ca -0.60 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1tzx h LEU 74 Cb 1.34 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1tzx h LEU 74 CO 0.54 0.75 0.00 0.59 -0.34 0.00 0.00 178.44 179.98 1tzx n ASN 75 N -4.46 0.17 0.09 1.25 5.03 -1.26 -2.56 115.26 113.52 1tzx n ASN 75 Ca 0.08 0.52 0.12 0.00 0.87 0.00 0.00 54.58 56.17 1tzx n ASN 75 Cb 0.05 -0.56 0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1tzx n ASN 75 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1tzx n ARG 76 N -1.66 0.56 -1.05 3.52 1.74 -0.83 -4.89 116.66 114.03 1tzx n ARG 76 Ca 0.06 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.96 1tzx n ARG 76 Cb 0.32 -1.80 0.18 0.00 -1.02 0.00 0.00 32.46 30.15 1tzx n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tzx s LEU 77 N -5.16 1.65 0.70 0.55 1.43 -0.89 -4.91 118.68 112.06 1tzx s LEU 77 Ca 0.00 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1tzx s LEU 77 Cb 0.10 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.79 1tzx s LEU 77 CO 0.79 -3.21 1.06 -0.94 0.23 0.00 0.00 176.35 174.28 1tzx s SER 78 N -3.26 5.28 0.52 2.29 1.04 -1.26 -4.79 113.70 113.52 1tzx s SER 78 Ca 0.65 1.64 0.21 0.00 0.48 0.00 0.00 55.95 58.94 1tzx s SER 78 Cb -0.20 -2.50 1.40 0.00 0.10 0.00 0.00 66.02 64.82 1tzx s SER 78 CO 0.59 -1.51 2.14 1.62 0.98 0.00 0.00 173.24 177.05 1tzx h VAL 79 N -0.76 0.84 0.08 5.02 3.04 -1.95 -0.16 116.25 122.36 1tzx h VAL 79 Ca -0.44 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1tzx h VAL 79 Cb 1.21 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1tzx h VAL 79 CO 0.56 0.06 -0.04 0.58 -1.01 0.00 0.00 177.57 177.72 1tzx h VAL 80 N 0.00 1.18 -0.42 1.51 2.07 -1.95 -2.80 116.25 115.84 1tzx h VAL 80 Ca -0.00 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1tzx h VAL 80 Cb 0.11 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1tzx h VAL 80 CO 0.01 0.28 -0.15 0.44 0.02 0.00 0.00 177.57 178.16 1tzx h ASP 81 N -0.67 0.85 -0.56 0.57 3.32 -1.83 0.16 116.42 118.27 1tzx h ASP 81 Ca -0.01 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.72 1tzx h ASP 81 Cb 0.54 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1tzx h ASP 81 CO 0.02 1.04 0.26 -0.09 -1.72 0.00 0.00 179.24 178.75 1tzx h ARG 82 N 0.65 0.47 0.00 3.56 2.43 -1.15 -0.62 114.38 119.72 1tzx h ARG 82 Ca 0.10 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1tzx h ARG 82 Cb 0.69 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1tzx h ARG 82 CO 0.05 0.31 -0.71 -0.91 -1.51 0.00 0.00 179.97 177.20 1tzx h ASN 83 N 0.48 0.00 -0.50 -3.80 4.21 -1.34 -1.88 115.58 112.74 1tzx h ASN 83 Ca 0.26 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.68 1tzx h ASN 83 Cb 0.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1tzx h ASN 83 CO -0.22 0.71 -0.06 0.58 -1.29 0.00 0.00 177.43 177.15 1tzx h VAL 84 N 0.00 1.27 -0.59 2.81 2.07 -0.69 -1.26 116.25 119.85 1tzx h VAL 84 Ca -0.01 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1tzx h VAL 84 Cb 1.52 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1tzx h VAL 84 CO 0.09 0.41 0.02 -0.07 0.02 0.00 0.00 177.57 178.04 1tzx h LEU 85 N 0.79 1.00 -0.19 2.57 3.38 -1.00 -0.94 115.31 120.92 1tzx h LEU 85 Ca 0.13 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1tzx h LEU 85 Cb 0.61 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1tzx h LEU 85 CO 0.04 1.05 0.12 0.03 0.09 0.00 0.00 178.44 179.77 1tzx h ARG 86 N 0.92 0.26 -0.14 1.13 3.08 -1.21 0.15 114.38 118.57 1tzx h ARG 86 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1tzx h ARG 86 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1tzx h ARG 86 CO 0.03 0.21 0.09 1.25 -1.07 0.00 0.00 179.97 180.47 1tzx h LEU 87 N 0.23 0.17 -0.60 3.04 6.46 -1.13 -1.16 115.31 122.32 1tzx h LEU 87 Ca 0.07 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1tzx h LEU 87 Cb 0.01 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1tzx h LEU 87 CO -0.01 0.15 -0.01 0.00 -0.62 0.00 0.00 178.44 177.95 1tzx h ALA 88 N 1.02 0.81 -0.63 1.25 0.00 -1.07 -0.42 119.26 120.23 1tzx h ALA 88 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1tzx h ALA 88 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1tzx h ALA 88 CO -0.01 0.66 0.22 1.15 0.00 0.00 0.00 179.25 181.28 1tzx h THR 89 N 0.97 1.24 -0.21 0.00 2.02 -0.86 0.16 112.91 116.23 1tzx h THR 89 Ca 0.17 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1tzx h THR 89 Cb 0.57 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1tzx h THR 89 CO 0.03 0.31 0.12 0.22 0.37 0.00 0.00 175.52 176.57 1tzx h TYR 90 N 0.90 0.28 -0.37 3.16 3.20 -0.92 -1.56 116.97 121.65 1tzx h TYR 90 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1tzx h TYR 90 Cb 0.25 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1tzx h TYR 90 CO 0.02 0.23 0.24 1.49 -1.64 0.00 0.00 178.16 178.50 1tzx h GLU 91 N 0.25 0.49 -0.29 1.82 4.81 -0.67 0.95 114.58 121.93 1tzx h GLU 91 Ca 0.07 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1tzx h GLU 91 Cb 0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1tzx h GLU 91 CO -0.01 0.33 0.03 -0.07 -0.73 0.00 0.00 179.01 178.56 1tzx h LEU 92 N 0.50 -0.04 -0.04 1.64 3.38 -0.50 -1.83 115.31 118.42 1tzx h LEU 92 Ca 0.14 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.90 1tzx h LEU 92 Cb -0.05 0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1tzx h LEU 92 CO -0.03 0.01 -1.06 -0.07 0.09 0.00 0.00 178.44 177.38 1tzx h LEU 93 N 0.13 0.67 0.00 1.67 3.38 -1.02 -3.41 115.31 116.72 1tzx h LEU 93 Ca 0.14 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1tzx h LEU 93 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1tzx h LEU 93 CO -0.20 1.38 -1.08 0.49 0.09 0.00 0.00 178.44 179.12 1tzx n PHE 94 N -3.75 0.00 -3.37 1.13 3.72 0.30 -4.89 117.46 110.60 1tzx n PHE 94 Ca -0.09 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.86 1tzx n PHE 94 Cb 0.90 -0.13 -0.05 0.00 -0.94 0.00 0.00 39.48 39.26 1tzx n PHE 94 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1tzx s GLU 95 N -2.33 3.11 0.50 -1.08 0.41 -0.69 -4.97 118.70 113.65 1tzx s GLU 95 Ca -0.01 -2.02 0.18 0.00 -0.41 0.00 0.00 54.97 52.71 1tzx s GLU 95 Cb 0.06 -4.27 1.25 0.00 -1.78 0.00 0.00 34.13 29.39 1tzx s GLU 95 CO 0.34 -1.29 2.07 0.87 -0.49 0.00 0.00 175.26 176.76 1tzx h LYS 96 N 8.36 0.09 -0.01 1.61 1.57 -1.90 -3.14 116.57 123.14 1tzx h LYS 96 Ca -0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1tzx h LYS 96 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1tzx h LYS 96 CO 0.90 0.06 -0.16 -0.40 -0.57 0.00 0.00 179.45 179.28 1tzx n ASP 97 N -4.47 1.58 -4.65 0.86 5.75 -1.26 -4.85 116.55 109.51 1tzx n ASP 97 Ca 0.03 -1.33 -0.40 0.00 -0.01 0.00 0.00 54.79 53.08 1tzx n ASP 97 Cb 0.30 0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 1tzx n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1tzx s ILE 98 N -2.26 5.00 0.54 2.12 1.01 -1.19 -5.03 121.20 121.39 1tzx s ILE 98 Ca 0.29 1.18 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 1tzx s ILE 98 Cb 0.20 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1tzx s ILE 98 CO 0.43 0.07 1.34 -2.84 0.00 0.00 0.00 174.94 173.94 1tzx s PRO 99 N 2.19 3.16 0.18 2.79 0.02 -1.26 -4.85 135.00 137.23 1tzx s PRO 99 Ca 0.28 2.19 -0.13 0.00 0.02 0.00 0.00 61.00 63.36 1tzx s PRO 99 Cb -0.16 -2.25 0.15 0.00 0.02 0.00 0.00 34.50 32.27 1tzx s PRO 99 CO 0.09 -1.16 1.76 0.82 -0.33 0.00 0.00 177.00 178.18 1tzx h ILE 100 N 1.44 0.87 -0.70 2.83 1.08 -1.93 -1.72 117.51 119.38 1tzx h ILE 100 Ca -0.51 -0.13 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1tzx h ILE 100 Cb 1.30 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1tzx h ILE 100 CO 0.57 0.07 0.46 -0.08 -0.69 0.00 0.00 178.15 178.48 1tzx h GLU 101 N 0.38 0.81 -0.15 2.37 4.81 -1.97 -0.61 114.58 120.22 1tzx h GLU 101 Ca 0.23 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1tzx h GLU 101 Cb 0.21 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1tzx h GLU 101 CO -0.21 0.54 -0.02 0.28 -0.73 0.00 0.00 179.01 178.86 1tzx h VAL 102 N 0.84 1.28 -0.02 0.32 2.07 -1.70 0.10 116.25 119.13 1tzx h VAL 102 Ca 0.28 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1tzx h VAL 102 Cb 0.07 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1tzx h VAL 102 CO -0.08 0.27 -0.12 0.74 0.02 0.00 0.00 177.57 178.41 1tzx h THR 103 N -0.01 0.70 -0.29 2.57 2.02 -0.76 -0.07 112.91 117.07 1tzx h THR 103 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1tzx h THR 103 Cb 0.43 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1tzx h THR 103 CO 0.01 0.00 0.04 0.40 0.37 0.00 0.00 175.52 176.35 1tzx h ILE 104 N -0.19 1.23 -0.60 3.11 2.04 -1.10 -1.20 117.51 120.81 1tzx h ILE 104 Ca 0.05 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1tzx h ILE 104 Cb 0.26 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1tzx h ILE 104 CO -0.14 0.26 0.32 0.44 0.00 0.00 0.00 178.15 179.04 1tzx h ASP 105 N 0.30 0.76 0.93 1.72 3.45 -0.66 -1.06 116.42 121.86 1tzx h ASP 105 Ca 0.09 -0.10 -0.10 0.00 0.43 0.00 0.00 57.03 57.35 1tzx h ASP 105 Cb 0.35 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1tzx h ASP 105 CO 0.01 0.64 -0.48 -0.33 -1.57 0.00 0.00 179.24 177.50 1tzx h GLU 106 N 0.81 0.00 -0.42 3.56 5.08 -0.97 -2.19 114.58 120.45 1tzx h GLU 106 Ca 0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1tzx h GLU 106 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1tzx h GLU 106 CO -0.03 0.48 -0.10 0.00 -1.00 0.00 0.00 179.01 178.36 1tzx h ALA 107 N 1.52 0.58 -0.83 3.43 0.00 -0.78 -2.74 119.26 120.43 1tzx h ALA 107 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1tzx h ALA 107 Cb 1.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1tzx h ALA 107 CO 0.06 0.46 0.48 0.82 0.00 0.00 0.00 179.25 181.07 1tzx h ILE 108 N 0.64 1.24 -0.47 0.00 2.04 -0.98 -1.63 117.51 118.35 1tzx h ILE 108 Ca 0.11 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1tzx h ILE 108 Cb 0.63 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1tzx h ILE 108 CO 0.04 0.26 0.29 -0.33 0.00 0.00 0.00 178.15 178.41 1tzx h GLU 109 N 1.15 0.58 -0.51 2.37 5.08 -1.16 -1.03 114.58 121.05 1tzx h GLU 109 Ca 0.30 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1tzx h GLU 109 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1tzx h GLU 109 CO -0.05 0.38 0.19 0.82 -1.00 0.00 0.00 179.01 179.35 1tzx h ILE 110 N 0.59 1.22 -0.75 3.13 2.04 -1.14 0.21 117.51 122.82 1tzx h ILE 110 Ca 0.18 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1tzx h ILE 110 Cb -0.02 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1tzx h ILE 110 CO -0.06 0.26 0.49 0.00 0.00 0.00 0.00 178.15 178.84 1tzx h ALA 111 N 1.04 0.95 -0.18 1.87 0.00 -1.00 -2.21 119.26 119.74 1tzx h ALA 111 Ca 0.17 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1tzx h ALA 111 Cb 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1tzx h ALA 111 CO -0.01 0.37 -0.62 0.87 0.00 0.00 0.00 179.25 179.86 1tzx h LYS 112 N 1.02 0.61 -0.51 0.00 1.57 -0.97 0.40 116.57 118.69 1tzx h LYS 112 Ca 0.27 -0.42 0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1tzx h LYS 112 Cb -0.11 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 1tzx h LYS 112 CO -0.06 1.04 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.77 1tzx h ARG 113 N 0.45 0.11 -0.32 3.15 2.43 0.01 -2.80 114.38 117.40 1tzx h ARG 113 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1tzx h ARG 113 Cb 1.19 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1tzx h ARG 113 CO 0.12 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.31 1tzx n TYR 114 N -5.24 0.42 0.00 2.20 4.02 -0.94 -4.97 117.16 112.64 1tzx n TYR 114 Ca 0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1tzx n TYR 114 Cb 0.28 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1tzx n TYR 114 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tzx n GLY 115 N 0.92 4.55 3.19 2.72 0.00 0.13 -5.02 105.19 111.68 1tzx n GLY 115 Ca 0.14 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1tzx n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tzx n THR 116 N 0.00 0.00 -0.06 2.61 -2.24 -1.25 -4.83 114.28 108.51 1tzx n THR 116 Ca 0.00 -2.26 -0.00 0.00 -2.27 0.00 0.00 64.05 59.51 1tzx n THR 116 Cb 0.00 0.81 0.28 0.00 -2.10 0.00 0.00 70.33 69.32 1tzx n THR 116 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tzx h GLU 117 N 0.00 0.65 -0.60 -0.78 4.57 -1.93 -1.71 114.58 114.79 1tzx h GLU 117 Ca -0.30 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 57.72 1tzx h GLU 117 Cb 1.16 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1tzx h GLU 117 CO 0.48 0.59 0.18 -0.91 -1.18 0.00 0.00 179.01 178.17 1tzx h ASN 118 N 0.64 0.85 -0.40 1.04 -0.26 -1.98 -1.02 115.58 114.45 1tzx h ASN 118 Ca 0.15 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1tzx h ASN 118 Cb 0.23 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1tzx h ASN 118 CO -0.00 0.80 0.22 0.28 -1.06 0.00 0.00 177.43 177.66 1tzx h SER 119 N 0.88 0.50 -0.46 5.81 0.02 -1.67 0.96 113.55 119.59 1tzx h SER 119 Ca 0.20 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1tzx h SER 119 Cb 0.27 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1tzx h SER 119 CO -0.01 0.45 0.22 1.23 -1.14 0.00 0.00 176.83 177.59 1tzx h GLY 120 N 0.51 0.63 1.10 -3.77 0.00 -0.93 -1.01 103.07 99.61 1tzx h GLY 120 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1tzx h GLY 120 CO -0.02 0.10 0.14 0.50 0.00 0.00 0.00 176.54 177.26 1tzx h LYS 121 N 0.45 1.11 0.27 4.80 1.57 -0.72 -0.76 116.57 123.28 1tzx h LYS 121 Ca 0.20 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1tzx h LYS 121 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1tzx h LYS 121 CO -0.15 0.99 -0.13 0.35 -0.57 0.00 0.00 179.45 179.94 1tzx h PHE 122 N 1.04 -0.33 -0.52 -1.35 3.57 -0.38 -1.55 116.94 117.41 1tzx h PHE 122 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1tzx h PHE 122 Cb 0.40 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1tzx h PHE 122 CO 0.03 -0.13 0.12 -0.39 -2.23 0.00 0.00 178.31 175.71 1tzx h VAL 123 N -0.47 1.22 -0.66 1.41 -1.51 -1.13 -2.30 116.25 112.82 1tzx h VAL 123 Ca -0.04 -0.81 0.04 0.00 -1.23 0.00 0.00 66.70 64.66 1tzx h VAL 123 Cb 0.35 0.69 -0.05 0.00 -2.13 0.00 0.00 31.29 30.16 1tzx h VAL 123 CO 0.06 0.30 0.40 -1.13 -1.23 0.00 0.00 177.57 175.97 1tzx h ASN 124 N 0.77 0.63 -0.15 4.19 -1.24 -0.96 -0.04 115.58 118.80 1tzx h ASN 124 Ca 0.17 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 1tzx h ASN 124 Cb 0.30 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1tzx h ASN 124 CO -0.00 0.43 0.08 1.23 -1.29 0.00 0.00 177.43 177.88 1tzx h GLY 125 N 0.77 0.22 0.98 1.57 0.00 -0.76 -1.11 103.07 104.74 1tzx h GLY 125 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1tzx h GLY 125 CO -0.13 0.09 0.22 -2.22 0.00 0.00 0.00 176.54 174.50 1tzx h ILE 126 N 0.15 1.22 -0.26 2.60 1.08 -1.02 -2.36 117.51 118.92 1tzx h ILE 126 Ca 0.05 -0.68 -0.11 0.00 -0.39 0.00 0.00 64.86 63.74 1tzx h ILE 126 Cb 0.05 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1tzx h ILE 126 CO -0.01 0.26 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.35 1tzx h LEU 127 N 0.74 0.55 -0.46 1.44 3.38 -0.95 -0.77 115.31 119.24 1tzx h LEU 127 Ca 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tzx h LEU 127 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1tzx h LEU 127 CO -0.02 0.81 0.27 0.44 0.09 0.00 0.00 178.44 180.04 1tzx h ASP 128 N 0.46 0.56 -0.36 -0.43 3.45 -0.98 0.33 116.42 119.45 1tzx h ASP 128 Ca 0.06 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1tzx h ASP 128 Cb 0.74 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1tzx h ASP 128 CO 0.06 0.46 0.07 0.03 -1.57 0.00 0.00 179.24 178.29 1tzx h ARG 129 N 0.61 0.59 -0.69 3.56 3.08 -1.15 -2.04 114.38 118.34 1tzx h ARG 129 Ca 0.16 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1tzx h ARG 129 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1tzx h ARG 129 CO -0.03 0.65 0.30 0.82 -1.07 0.00 0.00 179.97 180.63 1tzx h ILE 130 N 0.43 1.24 -0.17 2.04 2.04 -0.93 -3.14 117.51 119.01 1tzx h ILE 130 Ca 0.11 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1tzx h ILE 130 Cb 0.34 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1tzx h ILE 130 CO 0.00 0.29 0.05 0.00 0.00 0.00 0.00 178.15 178.50 1tzx h ALA 131 N 1.14 0.22 0.00 1.87 0.00 -0.79 0.20 119.26 121.90 1tzx h ALA 131 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tzx h ALA 131 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tzx h ALA 131 CO -0.02 -0.15 0.00 1.57 0.00 0.00 0.00 179.25 180.64 1tzx h LYS 132 N 0.10 0.00 0.00 0.00 2.10 -1.35 -0.46 116.57 116.96 1tzx h LYS 132 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1tzx h LYS 132 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1tzx h LYS 132 CO -0.00 0.00 -0.86 0.39 -2.00 0.00 0.00 179.45 176.97 1tzx n GLU 133 N -2.53 2.38 0.00 0.07 1.02 -1.03 -4.78 120.64 115.77 1tzx n GLU 133 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1tzx n GLU 133 Cb 0.13 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1tzx n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1tzx n HIS 134 N -1.48 0.00 -1.85 -0.32 8.25 0.67 -5.06 115.22 115.43 1tzx n HIS 134 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1tzx n HIS 134 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1tzx n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tzx s ALA 135 N -0.03 3.83 0.35 -1.41 0.00 -0.20 -4.86 121.76 119.43 1tzx s ALA 135 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 1tzx s ALA 135 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1tzx s ALA 135 CO 0.00 -0.87 1.48 -2.14 0.00 0.00 0.00 175.76 174.23 1tzx s PRO 136 N 1.32 4.16 0.42 0.00 0.02 -1.26 -4.87 135.00 134.78 1tzx s PRO 136 Ca 0.72 2.51 0.17 0.00 0.02 0.00 0.00 61.00 64.42 1tzx s PRO 136 Cb -0.46 -3.00 1.06 0.00 0.02 0.00 0.00 34.50 32.13 1tzx s PRO 136 CO 0.32 -0.50 1.88 1.57 -0.33 0.00 0.00 177.00 179.94 1tzx h LYS 137 N 3.52 0.41 -0.23 5.54 2.10 -2.00 -0.18 116.57 125.73 1tzx h LYS 137 Ca -0.50 -0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.20 1tzx h LYS 137 Cb 1.23 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1tzx h LYS 137 CO 0.68 0.27 0.19 0.93 -2.00 0.00 0.00 179.45 179.52 1tzx h GLU 138 N 0.42 0.00 0.00 0.07 3.07 -1.99 -1.55 114.58 114.60 1tzx h GLU 138 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1tzx h GLU 138 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1tzx h GLU 138 CO -0.15 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.09 1tzx n LYS 139 N -4.23 0.15 -0.02 2.33 5.02 -0.08 -3.98 118.16 117.36 1tzx n LYS 139 Ca 0.03 0.14 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1tzx n LYS 139 Cb 0.33 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1tzx n LYS 139 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1tzx h PHE 140 N 0.00 -0.32 0.75 2.13 0.04 -1.38 -3.23 116.94 114.92 1tzx h PHE 140 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1tzx h PHE 140 Cb 0.63 0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1tzx h PHE 140 CO 0.00 -0.19 -0.46 0.93 -0.60 0.00 0.00 178.31 177.98 1tzx h GLU 141 N -0.14 -1.09 0.00 1.51 4.39 -1.76 -3.51 114.58 113.97 1tzx h GLU 141 Ca 0.10 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1tzx h GLU 141 Cb 0.29 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1tzx h GLU 141 CO -0.24 -0.73 0.00 1.47 -1.16 0.00 0.00 179.01 178.35