#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 4.10 0.44 3.15 2.01 -1.26 -4.98 115.64 119.11 1tzx s THR 3 Ca 0.00 1.41 -0.26 0.00 0.31 0.00 0.00 61.69 63.15 1tzx s THR 3 Cb 0.00 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1tzx s THR 3 CO 0.00 -0.05 1.44 -2.84 -0.69 0.00 0.00 174.62 172.48 1tzx s PRO 4 N 2.78 3.72 0.28 4.92 0.02 -1.26 -4.86 135.00 140.60 1tzx s PRO 4 Ca 0.58 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.07 1tzx s PRO 4 Cb -0.26 -2.69 0.57 0.00 0.02 0.00 0.00 34.50 32.15 1tzx s PRO 4 CO 0.21 -0.80 1.83 -0.09 -0.33 0.00 0.00 177.00 177.81 1tzx h ARG 5 N 2.38 0.94 -0.65 5.54 2.43 -1.99 -0.64 114.38 122.39 1tzx h ARG 5 Ca -0.51 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1tzx h ARG 5 Cb 1.26 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1tzx h ARG 5 CO 0.61 0.62 0.43 0.00 -1.51 0.00 0.00 179.97 180.12 1tzx h ARG 6 N 0.97 0.72 0.01 0.20 3.08 -1.99 0.37 114.38 117.74 1tzx h ARG 6 Ca 0.50 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 60.24 1tzx h ARG 6 Cb 0.53 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.44 1tzx h ARG 6 CO -0.28 0.48 -1.06 -0.09 -1.07 0.00 0.00 179.97 177.95 1tzx h ARG 7 N 0.75 0.69 -0.21 0.04 2.43 -1.51 -0.93 114.38 115.64 1tzx h ARG 7 Ca 0.26 -0.76 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1tzx h ARG 7 Cb 0.12 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1tzx h ARG 7 CO -0.08 1.33 0.06 1.98 -1.51 0.00 0.00 179.97 181.76 1tzx h MET 8 N 0.38 0.15 -0.45 0.20 4.05 -0.83 -1.62 114.93 116.81 1tzx h MET 8 Ca -0.13 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.19 1tzx h MET 8 Cb 1.72 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.47 1tzx h MET 8 CO 0.21 0.10 -0.06 -0.09 0.23 0.00 0.00 176.91 177.30 1tzx h ARG 9 N 0.16 0.78 0.00 0.39 2.43 -0.92 -1.60 114.38 115.61 1tzx h ARG 9 Ca 0.09 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1tzx h ARG 9 Cb 0.07 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1tzx h ARG 9 CO -0.10 0.83 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.95 1tzx h LEU 10 N 0.71 0.00 -0.36 3.80 3.38 -0.72 -0.63 115.31 121.49 1tzx h LEU 10 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1tzx h LEU 10 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1tzx h LEU 10 CO 0.03 0.16 -0.45 0.00 0.09 0.00 0.00 178.44 178.27 1tzx h ALA 11 N 1.84 0.54 -0.26 1.53 0.00 -0.34 0.24 119.26 122.81 1tzx h ALA 11 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1tzx h ALA 11 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1tzx h ALA 11 CO 0.02 0.68 0.15 0.28 0.00 0.00 0.00 179.25 180.38 1tzx h VAL 12 N 0.72 1.02 -0.47 0.00 2.07 -0.99 -1.38 116.25 117.23 1tzx h VAL 12 Ca 0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1tzx h VAL 12 Cb 1.05 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1tzx h VAL 12 CO 0.11 0.06 0.31 0.15 0.02 0.00 0.00 177.57 178.21 1tzx h PHE 13 N 0.30 0.58 -0.86 1.57 3.57 -0.94 -2.13 116.94 119.03 1tzx h PHE 13 Ca 0.10 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1tzx h PHE 13 Cb 0.01 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1tzx h PHE 13 CO -0.08 0.35 0.56 0.87 -2.23 0.00 0.00 178.31 177.78 1tzx h LYS 14 N 0.62 1.06 -0.58 1.11 1.57 -0.62 -0.02 116.57 119.71 1tzx h LYS 14 Ca 0.18 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1tzx h LYS 14 Cb -0.05 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 1tzx h LYS 14 CO -0.05 0.70 0.30 0.00 -0.57 0.00 0.00 179.45 179.83 1tzx h ALA 15 N 1.35 0.74 -0.57 3.86 0.00 -0.85 0.68 119.26 124.47 1tzx h ALA 15 Ca 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1tzx h ALA 15 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1tzx h ALA 15 CO -0.11 0.28 0.22 -0.07 0.00 0.00 0.00 179.25 179.58 1tzx h LEU 16 N 0.78 0.80 0.16 0.00 3.38 -0.78 -1.27 115.31 118.38 1tzx h LEU 16 Ca 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1tzx h LEU 16 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1tzx h LEU 16 CO -0.03 0.76 -0.08 0.15 0.09 0.00 0.00 178.44 179.33 1tzx h PHE 17 N 0.79 -0.20 -0.43 1.13 3.04 -0.76 -2.91 116.94 117.60 1tzx h PHE 17 Ca 0.19 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 1tzx h PHE 17 Cb 0.22 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1tzx h PHE 17 CO 0.01 -0.06 0.14 1.96 -2.02 0.00 0.00 178.31 178.34 1tzx h GLN 18 N -0.29 0.62 -0.10 1.11 4.20 -0.77 -2.47 115.11 117.41 1tzx h GLN 18 Ca -0.02 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1tzx h GLN 18 Cb 0.23 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1tzx h GLN 18 CO 0.04 0.54 0.08 1.25 -0.67 0.00 0.00 178.83 180.06 1tzx h HIS 19 N 0.61 0.00 0.00 2.96 2.76 -1.03 -1.28 115.15 119.17 1tzx h HIS 19 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1tzx h HIS 19 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1tzx h HIS 19 CO 0.01 0.00 0.00 0.93 -1.30 0.00 0.00 177.93 177.57 1tzx h GLU 20 N 0.00 0.00 -0.14 5.26 5.08 -1.38 -2.35 114.58 121.05 1tzx h GLU 20 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1tzx h GLU 20 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1tzx h GLU 20 CO -0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 1tzx n PHE 21 N -2.78 0.18 -2.67 4.33 3.01 -0.51 -4.59 117.46 114.43 1tzx n PHE 21 Ca 0.00 -0.42 -0.09 0.00 1.01 0.00 0.00 57.45 57.96 1tzx n PHE 21 Cb 0.21 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.03 1.16 0.33 -1.08 1.74 -0.91 -4.95 116.66 112.99 1tzx n ARG 22 Ca 0.05 -3.25 0.22 0.00 -0.77 0.00 0.00 57.85 54.10 1tzx n ARG 22 Cb 0.30 -1.25 1.19 0.00 -1.02 0.00 0.00 32.46 31.68 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 2.98 0.00 0.00 5.56 3.08 -1.76 -0.35 114.38 123.89 1tzx h ARG 23 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1tzx h ARG 23 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1tzx h ARG 23 CO 0.49 0.00 -0.05 -0.40 -1.07 0.00 0.00 179.97 178.94 1tzx n ASP 24 N -3.04 0.15 -4.94 7.04 3.85 -1.26 -4.86 116.55 113.50 1tzx n ASP 24 Ca -0.03 0.45 -0.20 0.00 -0.71 0.00 0.00 54.79 54.30 1tzx n ASP 24 Cb 0.07 -0.47 -0.02 0.00 -1.35 0.00 0.00 41.12 39.35 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 -3.02 3.06 -0.02 0.11 2.02 -0.14 -5.09 118.70 115.61 1tzx s GLU 25 Ca 0.13 -1.05 -0.23 0.00 0.02 0.00 0.00 54.97 53.84 1tzx s GLU 25 Cb 0.18 -2.73 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 1tzx s GLU 25 CO 0.55 0.14 0.69 -0.51 0.02 0.00 0.00 175.26 176.16 1tzx s ASP 26 N -4.08 7.04 0.31 -0.19 -0.00 -1.26 -4.97 116.67 113.52 1tzx s ASP 26 Ca 0.42 1.24 0.02 0.00 -0.00 0.00 0.00 52.55 54.23 1tzx s ASP 26 Cb -0.08 -2.41 0.59 0.00 -0.00 0.00 0.00 42.92 41.01 1tzx s ASP 26 CO 0.29 -0.03 1.89 0.25 -0.00 0.00 0.00 175.17 177.58 1tzx h LEU 27 N 6.19 0.86 -0.83 1.23 5.85 -1.95 -1.25 115.31 125.41 1tzx h LEU 27 Ca -0.43 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1tzx h LEU 27 Cb 1.20 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1tzx h LEU 27 CO 0.73 0.52 0.32 -0.33 -0.34 0.00 0.00 178.44 179.33 1tzx h GLU 28 N 0.96 1.17 -0.05 1.25 3.07 -1.96 -1.15 114.58 117.88 1tzx h GLU 28 Ca 0.42 -0.21 -0.17 0.00 -0.50 0.00 0.00 59.36 58.90 1tzx h GLU 28 Cb 0.34 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1tzx h GLU 28 CO -0.18 0.95 -0.72 0.37 -1.40 0.00 0.00 179.01 178.03 1tzx h GLN 29 N 1.15 0.28 -0.51 2.33 5.75 -1.72 -2.11 115.11 120.27 1tzx h GLN 29 Ca 0.26 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1tzx h GLN 29 Cb 0.21 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1tzx h GLN 29 CO -0.02 0.89 0.29 0.82 -2.65 0.00 0.00 178.83 178.15 1tzx h ILE 30 N 0.19 1.17 -0.76 2.39 2.04 -0.90 -2.23 117.51 119.41 1tzx h ILE 30 Ca -0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1tzx h ILE 30 Cb 1.28 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1tzx h ILE 30 CO 0.12 0.18 0.38 0.25 0.00 0.00 0.00 178.15 179.07 1tzx h LEU 31 N 0.68 0.96 -1.73 1.44 6.46 -0.99 -1.96 115.31 120.17 1tzx h LEU 31 Ca 0.18 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1tzx h LEU 31 Cb 0.03 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1tzx h LEU 31 CO -0.03 0.80 -0.15 -0.33 -0.62 0.00 0.00 178.44 178.11 1tzx h GLU 32 N 1.07 0.00 -0.16 1.25 4.39 -0.84 -0.69 114.58 119.60 1tzx h GLU 32 Ca 0.26 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 1tzx h GLU 32 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1tzx h GLU 32 CO -0.04 0.15 -0.41 0.93 -1.16 0.00 0.00 179.01 178.48 1tzx h GLU 33 N 0.00 0.36 -0.07 2.33 5.08 -0.79 -3.12 114.58 118.38 1tzx h GLU 33 Ca -0.00 -0.18 -0.22 0.00 -1.00 0.00 0.00 59.36 57.96 1tzx h GLU 33 Cb 0.28 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1tzx h GLU 33 CO 0.02 0.72 -0.82 0.82 -1.00 0.00 0.00 179.01 178.74 1tzx h ILE 34 N 0.30 1.31 -3.00 3.13 2.04 -1.08 -3.43 117.51 116.78 1tzx h ILE 34 Ca 0.03 -2.07 -0.55 0.00 1.00 0.00 0.00 64.86 63.27 1tzx h ILE 34 Cb 0.85 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1tzx h ILE 34 CO 0.07 0.64 0.76 -0.76 0.00 0.00 0.00 178.15 178.86 1tzx s LEU 35 N -8.31 4.30 0.00 1.44 1.43 -0.37 -4.99 118.68 112.18 1tzx s LEU 35 Ca -0.11 1.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1tzx s LEU 35 Cb 0.07 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 1tzx s LEU 35 CO 0.89 -0.65 0.03 -0.90 0.23 0.00 0.00 176.35 175.95 1tzx n ASP 36 N 5.23 0.53 0.21 2.29 5.68 -1.26 -4.88 116.55 124.35 1tzx n ASP 36 Ca 0.12 -1.30 0.14 0.00 -0.50 0.00 0.00 54.79 53.25 1tzx n ASP 36 Cb 0.45 0.18 0.72 0.00 -1.14 0.00 0.00 41.12 41.33 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 -2.00 -1.18 114.58 120.60 1tzx h GLU 37 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1tzx h GLU 37 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1tzx h GLU 37 CO 0.06 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.37 1tzx n THR 38 N -2.45 0.05 -4.32 -1.06 -2.24 -1.26 -4.70 114.28 98.30 1tzx n THR 38 Ca -0.02 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 1tzx n THR 38 Cb 0.09 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.59 3.13 0.93 4.78 1.51 -0.45 -4.95 117.35 119.71 1tzx s TYR 39 Ca 0.27 -0.00 -0.15 0.00 -1.01 0.00 0.00 57.07 56.18 1tzx s TYR 39 Cb 0.19 -1.90 0.18 0.00 -0.11 0.00 0.00 41.96 40.32 1tzx s TYR 39 CO 0.45 0.23 1.29 0.16 -1.11 0.00 0.00 175.55 176.57 1tzx s ASP 40 N -0.21 3.34 0.18 2.29 3.84 -1.26 -4.80 116.67 120.05 1tzx s ASP 40 Ca 0.05 0.30 -0.13 0.00 -0.00 0.00 0.00 52.55 52.77 1tzx s ASP 40 Cb -0.12 -0.42 0.18 0.00 -1.38 0.00 0.00 42.92 41.18 1tzx s ASP 40 CO 0.02 -2.59 1.73 0.50 -0.00 0.00 0.00 175.17 174.83 1tzx h LYS 41 N -1.52 0.28 -0.45 2.11 3.64 -1.98 -1.62 116.57 117.02 1tzx h LYS 41 Ca -0.44 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 1tzx h LYS 41 Cb 1.25 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1tzx h LYS 41 CO 0.42 0.18 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.48 1tzx h LYS 42 N 0.29 0.85 -0.65 1.90 3.64 -1.99 -1.86 116.57 118.74 1tzx h LYS 42 Ca 0.24 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1tzx h LYS 42 Cb 0.29 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1tzx h LYS 42 CO -0.28 0.94 0.39 0.00 -2.27 0.00 0.00 179.45 178.23 1tzx h ALA 43 N 0.88 0.83 -0.48 5.00 0.00 -1.83 0.15 119.26 123.81 1tzx h ALA 43 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1tzx h ALA 43 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1tzx h ALA 43 CO 0.04 0.32 0.07 0.87 0.00 0.00 0.00 179.25 180.55 1tzx h LYS 44 N 0.89 0.80 -0.50 0.00 1.57 -1.20 0.48 116.57 118.62 1tzx h LYS 44 Ca 0.23 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1tzx h LYS 44 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1tzx h LYS 44 CO -0.04 0.81 0.24 1.49 -0.57 0.00 0.00 179.45 181.38 1tzx h GLU 45 N 0.68 0.72 -0.32 3.15 4.81 -0.98 -0.77 114.58 121.87 1tzx h GLU 45 Ca 0.15 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1tzx h GLU 45 Cb 0.40 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1tzx h GLU 45 CO 0.01 0.60 0.12 -0.44 -0.73 0.00 0.00 179.01 178.57 1tzx h ASP 46 N 0.66 0.44 -0.79 1.04 3.32 -0.52 -1.75 116.42 118.83 1tzx h ASP 46 Ca 0.17 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1tzx h ASP 46 Cb 0.11 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1tzx h ASP 46 CO -0.02 0.50 0.34 0.00 -1.72 0.00 0.00 179.24 178.34 1tzx h ALA 47 N 0.96 1.02 -0.64 3.45 0.00 -0.74 -0.49 119.26 122.81 1tzx h ALA 47 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1tzx h ALA 47 Cb 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1tzx h ALA 47 CO -0.01 0.61 0.23 0.00 0.00 0.00 0.00 179.25 180.09 1tzx h ARG 48 N 1.13 0.98 -0.65 0.00 3.08 -1.02 -1.51 114.38 116.38 1tzx h ARG 48 Ca 0.27 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1tzx h ARG 48 Cb 0.17 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1tzx h ARG 48 CO -0.03 0.84 0.17 -0.09 -1.07 0.00 0.00 179.97 179.79 1tzx h ARG 49 N 0.91 1.03 0.04 0.04 2.43 -0.81 -1.96 114.38 116.06 1tzx h ARG 49 Ca 0.21 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1tzx h ARG 49 Cb 0.25 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1tzx h ARG 49 CO -0.01 0.92 -0.02 1.88 -1.51 0.00 0.00 179.97 181.23 1tzx h TYR 50 N 0.96 -0.05 -0.69 2.20 -1.99 -0.82 0.03 116.97 116.61 1tzx h TYR 50 Ca 0.21 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.94 1tzx h TYR 50 Cb 0.34 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 1tzx h TYR 50 CO 0.03 0.03 0.46 0.82 -0.00 0.00 0.00 178.16 179.50 1tzx h ILE 51 N -0.11 1.18 -0.19 -2.88 1.08 -1.18 0.19 117.51 115.59 1tzx h ILE 51 Ca -0.01 -0.33 -0.12 0.00 -0.39 0.00 0.00 64.86 64.02 1tzx h ILE 51 Cb 0.10 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.00 1tzx h ILE 51 CO 0.01 0.17 -0.38 0.03 -0.69 0.00 0.00 178.15 177.29 1tzx h ARG 52 N 0.94 0.42 -0.22 2.37 3.08 -1.19 -1.35 114.38 118.42 1tzx h ARG 52 Ca 0.25 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1tzx h ARG 52 Cb -0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1tzx h ARG 52 CO -0.05 0.74 -0.49 0.78 -1.07 0.00 0.00 179.97 179.88 1tzx h GLY 53 N 1.12 0.66 0.85 0.04 0.00 -0.36 -1.11 103.07 104.26 1tzx h GLY 53 Ca 0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 1tzx h GLY 53 CO 0.07 0.65 -0.22 -2.22 0.00 0.00 0.00 176.54 174.82 1tzx h ILE 54 N 0.48 1.33 -0.55 2.60 2.04 -0.50 -2.13 117.51 120.78 1tzx h ILE 54 Ca 0.02 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 1tzx h ILE 54 Cb 1.03 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1tzx h ILE 54 CO 0.10 0.42 0.28 0.50 0.00 0.00 0.00 178.15 179.45 1tzx h LYS 55 N 0.19 0.78 -0.48 2.37 3.64 -1.21 0.13 116.57 121.99 1tzx h LYS 55 Ca 0.03 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1tzx h LYS 55 Cb 0.77 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1tzx h LYS 55 CO 0.05 0.62 0.04 1.49 -2.27 0.00 0.00 179.45 179.38 1tzx h GLU 56 N 0.74 0.77 -0.47 1.90 4.57 -1.20 -3.14 114.58 117.76 1tzx h GLU 56 Ca 0.19 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tzx h GLU 56 Cb 0.08 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1tzx h GLU 56 CO -0.03 0.75 0.00 0.09 -1.18 0.00 0.00 179.01 178.65 1tzx n ASN 57 N -4.24 3.98 -0.19 1.04 3.02 -0.80 -4.74 115.26 113.33 1tzx n ASN 57 Ca 0.03 -2.44 -0.02 0.00 -0.03 0.00 0.00 54.58 52.12 1tzx n ASN 57 Cb 0.27 -0.46 0.09 0.00 -0.61 0.00 0.00 39.78 39.07 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 2.91 0.27 -0.08 3.41 5.85 -0.68 -0.05 115.31 126.94 1tzx h LEU 58 Ca 0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1tzx h LEU 58 Cb 1.22 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1tzx h LEU 58 CO 0.15 0.17 -0.03 0.28 -0.34 0.00 0.00 178.44 178.68 1tzx h SER 59 N 0.43 -0.09 -0.74 1.25 0.02 -1.85 0.25 113.55 112.82 1tzx h SER 59 Ca 0.28 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1tzx h SER 59 Cb 0.30 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1tzx h SER 59 CO -0.26 -0.04 0.44 -0.03 -1.14 0.00 0.00 176.83 175.81 1tzx h MET 60 N -0.01 1.01 -0.09 3.45 1.85 -1.80 -0.67 114.93 118.66 1tzx h MET 60 Ca 0.04 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 1tzx h MET 60 Cb 0.07 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 31.89 1tzx h MET 60 CO -0.09 0.72 0.01 0.82 -0.40 0.00 0.00 176.91 177.97 1tzx h ILE 61 N 1.01 1.24 -0.73 1.77 2.04 -0.66 -1.39 117.51 120.79 1tzx h ILE 61 Ca 0.26 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1tzx h ILE 61 Cb -0.03 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1tzx h ILE 61 CO -0.05 0.21 0.46 0.44 0.00 0.00 0.00 178.15 179.21 1tzx h ASP 62 N -0.10 0.86 -0.72 1.72 5.19 -0.32 -1.11 116.42 121.94 1tzx h ASP 62 Ca 0.03 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1tzx h ASP 62 Cb 0.32 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1tzx h ASP 62 CO 0.00 0.65 0.35 0.44 -3.12 0.00 0.00 179.24 177.55 1tzx h ASP 63 N 0.99 0.93 0.08 6.45 3.45 -1.02 -1.52 116.42 125.78 1tzx h ASP 63 Ca 0.26 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1tzx h ASP 63 Cb -0.07 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.46 1tzx h ASP 63 CO -0.05 0.80 -0.04 0.25 -1.57 0.00 0.00 179.24 178.63 1tzx h LEU 64 N 1.00 -0.09 -1.07 1.55 6.46 -0.79 -2.78 115.31 119.58 1tzx h LEU 64 Ca 0.25 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1tzx h LEU 64 Cb 0.11 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 1tzx h LEU 64 CO -0.03 -0.02 0.63 0.40 -0.62 0.00 0.00 178.44 178.79 1tzx h ILE 65 N -0.16 1.19 0.00 4.05 2.04 -1.02 -1.64 117.51 121.97 1tzx h ILE 65 Ca -0.01 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1tzx h ILE 65 Cb 0.13 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1tzx h ILE 65 CO 0.02 0.22 0.00 0.28 0.00 0.00 0.00 178.15 178.67 1tzx h SER 66 N 1.22 0.00 0.26 1.72 0.02 -1.00 -0.98 113.55 114.79 1tzx h SER 66 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 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 -0.10 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.13 1tzx n ARG 67 N -2.99 0.59 -0.01 3.45 1.74 -0.62 -2.67 116.66 116.15 1tzx n ARG 67 Ca -0.03 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1tzx n ARG 67 Cb 0.08 -1.50 0.01 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 -1.15 0.02 -4.63 -1.55 4.02 -0.37 -5.02 117.16 108.48 1tzx n TYR 68 Ca 0.16 -0.45 -0.31 0.00 -0.01 0.00 0.00 57.90 57.29 1tzx n TYR 68 Cb 0.15 -0.04 -0.13 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.90 2.62 0.00 7.72 1.43 -1.09 -4.99 118.68 123.47 1tzx s LEU 69 Ca 0.01 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1tzx s LEU 69 Cb 0.01 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1tzx s LEU 69 CO 0.01 0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.22 1tzx n GLU 70 N 1.50 0.00 0.21 1.70 1.02 -1.26 -4.93 120.64 118.88 1tzx n GLU 70 Ca -0.16 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.83 1tzx n GLU 70 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 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 -0.59 -5.11 3.49 3.64 -2.02 -3.36 116.57 112.63 1tzx h LYS 71 Ca 0.00 0.04 -0.66 0.00 -1.27 0.00 0.00 60.65 58.76 1tzx h LYS 71 Cb 0.00 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 31.79 1tzx h LYS 71 CO 0.00 -0.39 0.41 -1.58 -2.27 0.00 0.00 179.45 175.62 1tzx s TRP 72 N -6.07 2.84 0.82 1.91 0.52 -1.26 -5.04 118.94 112.67 1tzx s TRP 72 Ca -0.16 -0.80 -0.11 0.00 0.02 0.00 0.00 56.10 55.05 1tzx s TRP 72 Cb 0.06 -4.19 0.09 0.00 -1.15 0.00 0.00 33.47 28.27 1tzx s TRP 72 CO 0.64 -1.50 1.09 -1.54 0.02 0.00 0.00 176.95 175.66 1tzx s SER 73 N 3.64 4.12 0.27 2.95 1.04 -1.26 -4.79 113.70 119.68 1tzx s SER 73 Ca 0.19 1.61 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 1tzx s SER 73 Cb -0.18 -2.31 0.48 0.00 0.10 0.00 0.00 66.02 64.10 1tzx s SER 73 CO 0.07 -2.24 1.85 0.25 0.98 0.00 0.00 173.24 174.14 1tzx h LEU 74 N -1.28 0.94 -0.09 2.42 5.85 -1.96 -1.55 115.31 119.65 1tzx h LEU 74 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1tzx h LEU 74 Cb 1.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1tzx h LEU 74 CO 0.54 0.54 0.00 0.59 -0.34 0.00 0.00 178.44 179.77 1tzx n ASN 75 N -4.59 0.40 0.09 1.25 4.13 -1.26 -2.91 115.26 112.38 1tzx n ASN 75 Ca 0.17 0.55 0.08 0.00 1.68 0.00 0.00 54.58 57.06 1tzx n ASN 75 Cb 0.28 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 37.86 1tzx n ASN 75 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1tzx h ARG 76 N 0.00 0.00 -7.30 3.52 2.47 -1.64 -3.47 114.38 107.96 1tzx h ARG 76 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 1tzx h ARG 76 Cb 0.55 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 29.03 1tzx h ARG 76 CO 0.00 0.11 0.22 -0.51 0.56 0.00 0.00 179.97 180.34 1tzx s LEU 77 N -5.61 2.18 0.76 3.04 1.43 -1.02 -4.95 118.68 114.51 1tzx s LEU 77 Ca -0.00 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1tzx s LEU 77 Cb 0.09 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.39 1tzx s LEU 77 CO 0.78 -2.89 1.10 -0.94 0.23 0.00 0.00 176.35 174.63 1tzx s SER 78 N -3.19 4.57 0.52 2.29 1.04 -1.26 -4.77 113.70 112.90 1tzx s SER 78 Ca 0.64 1.87 0.17 0.00 0.48 0.00 0.00 55.95 59.11 1tzx s SER 78 Cb -0.20 -2.53 1.27 0.00 0.10 0.00 0.00 66.02 64.66 1tzx s SER 78 CO 0.58 -1.99 2.12 1.62 0.98 0.00 0.00 173.24 176.55 1tzx h VAL 79 N -0.93 0.97 0.26 5.02 3.04 -1.95 -0.67 116.25 121.98 1tzx h VAL 79 Ca -0.44 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1tzx h VAL 79 Cb 1.24 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1tzx h VAL 79 CO 0.52 0.00 -0.12 0.58 -1.01 0.00 0.00 177.57 177.54 1tzx h VAL 80 N 0.03 0.73 -0.64 1.51 2.07 -1.96 -2.80 116.25 115.19 1tzx h VAL 80 Ca 0.04 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1tzx h VAL 80 Cb 0.14 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1tzx h VAL 80 CO -0.00 0.15 0.12 0.44 0.02 0.00 0.00 177.57 178.30 1tzx h ASP 81 N -0.80 0.98 -0.43 0.57 3.32 -1.81 -0.37 116.42 117.88 1tzx h ASP 81 Ca -0.04 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1tzx h ASP 81 Cb 0.51 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1tzx h ASP 81 CO 0.06 0.96 0.29 -0.09 -1.72 0.00 0.00 179.24 178.74 1tzx h ARG 82 N 0.97 0.57 0.00 3.56 2.43 -1.22 -1.16 114.38 119.53 1tzx h ARG 82 Ca 0.20 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1tzx h ARG 82 Cb 0.40 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1tzx h ARG 82 CO 0.01 0.38 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.54 1tzx h ASN 83 N 0.59 0.00 -0.24 -3.80 4.21 -1.24 -1.91 115.58 113.19 1tzx h ASN 83 Ca 0.16 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.48 1tzx h ASN 83 Cb -0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1tzx h ASN 83 CO -0.03 0.39 -0.56 0.58 -1.29 0.00 0.00 177.43 176.52 1tzx h VAL 84 N 0.00 1.28 -0.58 2.81 2.07 -0.88 -1.11 116.25 119.84 1tzx h VAL 84 Ca -0.00 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.70 1tzx h VAL 84 Cb 1.22 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1tzx h VAL 84 CO 0.05 0.57 0.09 -0.07 0.02 0.00 0.00 177.57 178.22 1tzx h LEU 85 N 0.64 0.93 -0.09 2.57 3.38 -1.05 -0.53 115.31 121.16 1tzx h LEU 85 Ca 0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1tzx h LEU 85 Cb 1.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1tzx h LEU 85 CO 0.12 0.96 0.04 0.03 0.09 0.00 0.00 178.44 179.68 1tzx h ARG 86 N 0.86 0.14 -0.59 1.13 3.08 -1.25 -0.37 114.38 117.38 1tzx h ARG 86 Ca 0.17 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1tzx h ARG 86 Cb 0.43 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1tzx h ARG 86 CO 0.01 0.24 0.30 1.25 -1.07 0.00 0.00 179.97 180.71 1tzx h LEU 87 N 0.00 0.77 -0.45 3.04 6.46 -1.11 -1.04 115.31 122.97 1tzx h LEU 87 Ca 0.03 -0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 1tzx h LEU 87 Cb 0.16 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1tzx h LEU 87 CO -0.00 0.67 -0.14 0.00 -0.62 0.00 0.00 178.44 178.35 1tzx h ALA 88 N 1.13 0.63 -0.57 1.25 0.00 -1.01 -0.62 119.26 120.06 1tzx h ALA 88 Ca 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1tzx h ALA 88 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1tzx h ALA 88 CO -0.03 0.55 0.23 1.15 0.00 0.00 0.00 179.25 181.15 1tzx h THR 89 N 0.73 1.22 -0.24 0.00 2.02 -0.95 0.15 112.91 115.85 1tzx h THR 89 Ca 0.11 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1tzx h THR 89 Cb 0.69 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1tzx h THR 89 CO 0.05 0.27 0.10 0.22 0.37 0.00 0.00 175.52 176.53 1tzx h TYR 90 N 0.78 0.18 -0.62 3.16 3.20 -0.95 -1.38 116.97 121.34 1tzx h TYR 90 Ca 0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1tzx h TYR 90 Cb 0.20 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1tzx h TYR 90 CO 0.01 0.09 0.33 1.49 -1.64 0.00 0.00 178.16 178.44 1tzx h GLU 91 N 0.22 0.87 -0.57 1.82 4.81 -0.67 0.14 114.58 121.19 1tzx h GLU 91 Ca 0.10 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1tzx h GLU 91 Cb 0.05 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1tzx h GLU 91 CO -0.09 0.67 0.37 1.25 -0.73 0.00 0.00 179.01 180.47 1tzx h LEU 92 N 0.84 0.62 0.20 1.64 5.85 -0.42 -2.33 115.31 121.71 1tzx h LEU 92 Ca 0.22 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.61 1tzx h LEU 92 Cb 0.06 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 40.96 1tzx h LEU 92 CO -0.03 0.45 -1.45 -0.07 -0.34 0.00 0.00 178.44 176.99 1tzx h LEU 93 N 0.74 0.65 0.00 2.25 3.38 -0.98 -3.41 115.31 117.93 1tzx h LEU 93 Ca 0.21 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1tzx h LEU 93 Cb -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1tzx h LEU 93 CO -0.06 1.59 -0.71 0.49 0.09 0.00 0.00 178.44 179.84 1tzx n PHE 94 N -3.62 0.00 -3.33 1.13 3.72 0.45 -4.90 117.46 110.92 1tzx n PHE 94 Ca -0.15 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.79 1tzx n PHE 94 Cb 1.07 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 39.51 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 -2.09 3.04 0.31 -1.08 0.41 -0.88 -4.97 118.70 113.43 1tzx s GLU 95 Ca 0.02 -1.83 0.01 0.00 -0.41 0.00 0.00 54.97 52.75 1tzx s GLU 95 Cb 0.07 -4.29 0.54 0.00 -1.78 0.00 0.00 34.13 28.67 1tzx s GLU 95 CO 0.39 -1.31 1.92 1.57 -0.49 0.00 0.00 175.26 177.33 1tzx h LYS 96 N 8.68 0.98 -0.00 1.61 2.10 -1.90 -3.15 116.57 124.88 1tzx h LYS 96 Ca -0.23 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1tzx h LYS 96 Cb 1.09 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1tzx h LYS 96 CO 0.98 0.65 -0.02 -0.40 -2.00 0.00 0.00 179.45 178.66 1tzx n ASP 97 N -4.48 0.18 -4.66 7.07 3.85 -1.26 -4.83 116.55 112.42 1tzx n ASP 97 Ca 0.13 -0.65 -0.37 0.00 -0.71 0.00 0.00 54.79 53.19 1tzx n ASP 97 Cb 0.19 -0.11 -0.09 0.00 -1.35 0.00 0.00 41.12 39.76 1tzx n ASP 97 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1tzx s ILE 98 N -2.29 5.31 0.53 2.12 -1.09 -1.19 -5.06 121.20 119.53 1tzx s ILE 98 Ca 0.37 0.33 -0.22 0.00 -2.23 0.00 0.00 60.65 58.90 1tzx s ILE 98 Cb 0.21 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1tzx s ILE 98 CO 0.42 0.31 1.29 -2.84 -1.23 0.00 0.00 174.94 172.89 1tzx s PRO 99 N 1.16 3.27 0.15 2.79 0.02 -1.26 -4.86 135.00 136.26 1tzx s PRO 99 Ca 0.11 2.06 -0.19 0.00 0.02 0.00 0.00 61.00 63.00 1tzx s PRO 99 Cb -0.14 -2.25 0.03 0.00 0.02 0.00 0.00 34.50 32.16 1tzx s PRO 99 CO 0.06 -1.03 1.68 0.82 -0.33 0.00 0.00 177.00 178.20 1tzx h ILE 100 N 1.46 0.69 -0.99 2.83 1.08 -1.98 -1.93 117.51 118.68 1tzx h ILE 100 Ca -0.50 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.15 1tzx h ILE 100 Cb 1.29 0.69 -0.10 0.00 -3.07 0.00 0.00 36.82 35.63 1tzx h ILE 100 CO 0.58 0.00 0.61 -0.08 -0.69 0.00 0.00 178.15 178.57 1tzx h GLU 101 N -0.02 0.73 -0.13 2.37 4.81 -1.97 0.73 114.58 121.09 1tzx h GLU 101 Ca 0.14 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1tzx h GLU 101 Cb 0.23 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1tzx h GLU 101 CO -0.30 0.48 -0.08 0.28 -0.73 0.00 0.00 179.01 178.66 1tzx h VAL 102 N 0.75 1.33 -0.06 0.32 2.07 -1.74 0.83 116.25 119.75 1tzx h VAL 102 Ca 0.55 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1tzx h VAL 102 Cb 0.87 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1tzx h VAL 102 CO -0.33 0.33 -0.08 0.74 0.02 0.00 0.00 177.57 178.25 1tzx h THR 103 N -0.07 0.77 0.10 2.57 2.02 -0.67 -0.52 112.91 117.12 1tzx h THR 103 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1tzx h THR 103 Cb 0.56 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1tzx h THR 103 CO 0.02 0.00 -0.05 0.40 0.37 0.00 0.00 175.52 176.26 1tzx h ILE 104 N -0.11 0.99 -0.53 3.11 2.04 -0.88 -1.28 117.51 120.84 1tzx h ILE 104 Ca 0.05 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1tzx h ILE 104 Cb 0.19 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1tzx h ILE 104 CO -0.13 0.08 0.30 0.44 0.00 0.00 0.00 178.15 178.85 1tzx h ASP 105 N -0.30 0.47 1.09 1.72 3.45 -0.74 -1.12 116.42 120.99 1tzx h ASP 105 Ca -0.01 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 1tzx h ASP 105 Cb 0.24 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1tzx h ASP 105 CO 0.02 0.32 -0.35 -0.33 -1.57 0.00 0.00 179.24 177.34 1tzx h GLU 106 N 0.59 0.00 -0.14 3.56 5.08 -1.07 -2.18 114.58 120.42 1tzx h GLU 106 Ca 0.22 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1tzx h GLU 106 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1tzx h GLU 106 CO -0.12 0.35 -0.50 0.00 -1.00 0.00 0.00 179.01 177.74 1tzx h ALA 107 N 1.65 0.25 -0.84 3.43 0.00 -0.87 -2.82 119.26 120.07 1tzx h ALA 107 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1tzx h ALA 107 Cb 0.98 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1tzx h ALA 107 CO 0.04 0.42 0.56 0.82 0.00 0.00 0.00 179.25 181.09 1tzx h ILE 108 N 0.22 1.18 -0.84 0.00 2.04 -1.04 -1.57 117.51 117.51 1tzx h ILE 108 Ca -0.02 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1tzx h ILE 108 Cb 1.12 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1tzx h ILE 108 CO 0.10 0.20 0.53 -0.33 0.00 0.00 0.00 178.15 178.65 1tzx h GLU 109 N 1.10 0.96 -0.37 2.37 5.08 -1.25 -0.67 114.58 121.80 1tzx h GLU 109 Ca 0.32 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1tzx h GLU 109 Cb -0.06 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1tzx h GLU 109 CO -0.08 0.64 -0.02 0.82 -1.00 0.00 0.00 179.01 179.36 1tzx h ILE 110 N 0.99 1.26 -0.77 3.13 2.04 -1.06 0.18 117.51 123.29 1tzx h ILE 110 Ca 0.35 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1tzx h ILE 110 Cb 0.10 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1tzx h ILE 110 CO -0.15 0.35 0.48 0.00 0.00 0.00 0.00 178.15 178.82 1tzx h ALA 111 N 0.86 1.02 -0.18 1.87 0.00 -0.81 -2.06 119.26 119.96 1tzx h ALA 111 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1tzx h ALA 111 Cb 0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1tzx h ALA 111 CO 0.02 0.25 -0.59 0.87 0.00 0.00 0.00 179.25 179.80 1tzx h LYS 112 N 0.91 0.58 -0.68 0.00 1.57 -0.94 0.87 116.57 118.88 1tzx h LYS 112 Ca 0.32 -0.39 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1tzx h LYS 112 Cb 0.07 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1tzx h LYS 112 CO -0.13 1.00 0.26 -0.09 -0.57 0.00 0.00 179.45 179.92 1tzx h ARG 113 N 0.43 0.42 -0.15 3.15 2.43 0.05 -2.84 114.38 117.87 1tzx h ARG 113 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1tzx h ARG 113 Cb 1.15 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1tzx h ARG 113 CO 0.11 0.28 0.00 0.66 -1.51 0.00 0.00 179.97 179.51 1tzx n TYR 114 N -5.00 0.19 0.00 2.20 4.02 -0.95 -5.00 117.16 112.63 1tzx n TYR 114 Ca 0.11 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1tzx n TYR 114 Cb 0.34 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.53 4.91 3.29 2.72 0.00 0.30 -5.03 105.19 111.90 1tzx n GLY 115 Ca 0.08 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 0.17 2.61 -2.24 -1.26 -4.81 114.28 108.76 1tzx n THR 116 Ca 0.00 -2.26 0.03 0.00 -2.27 0.00 0.00 64.05 59.54 1tzx n THR 116 Cb 0.00 0.66 0.38 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.07 -0.27 -0.78 4.57 -1.93 -1.31 114.58 114.93 1tzx h GLU 117 Ca -0.34 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 1tzx h GLU 117 Cb 1.18 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1tzx h GLU 117 CO 0.56 0.36 -0.40 -0.91 -1.18 0.00 0.00 179.01 177.43 1tzx h ASN 118 N 0.06 0.81 -0.44 1.04 -0.26 -1.98 -0.19 115.58 114.63 1tzx h ASN 118 Ca 0.01 -0.51 0.01 0.00 -0.56 0.00 0.00 56.30 55.24 1tzx h ASN 118 Cb 0.55 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 1tzx h ASN 118 CO 0.04 1.17 0.28 0.28 -1.06 0.00 0.00 177.43 178.14 1tzx h SER 119 N 0.48 0.48 -0.31 5.81 0.02 -1.82 0.29 113.55 118.51 1tzx h SER 119 Ca 0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1tzx h SER 119 Cb 1.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1tzx h SER 119 CO 0.09 0.35 0.17 1.23 -1.14 0.00 0.00 176.83 177.53 1tzx h GLY 120 N 0.57 0.46 1.41 -3.77 0.00 -1.11 -0.49 103.07 100.14 1tzx h GLY 120 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1tzx h GLY 120 CO -0.05 0.20 0.18 0.50 0.00 0.00 0.00 176.54 177.37 1tzx h LYS 121 N 0.38 0.76 0.51 4.80 1.57 -0.77 0.19 116.57 124.01 1tzx h LYS 121 Ca 0.11 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1tzx h LYS 121 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1tzx h LYS 121 CO -0.02 0.64 -0.27 0.35 -0.57 0.00 0.00 179.45 179.59 1tzx h PHE 122 N 0.74 -0.70 -0.65 -1.35 3.57 -0.32 -0.62 116.94 117.61 1tzx h PHE 122 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1tzx h PHE 122 Cb 0.19 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1tzx h PHE 122 CO 0.01 -0.42 0.36 0.28 -2.23 0.00 0.00 178.31 176.31 1tzx h VAL 123 N -0.72 1.19 -0.54 1.41 2.07 -0.84 -1.89 116.25 116.94 1tzx h VAL 123 Ca -0.07 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1tzx h VAL 123 Cb 0.56 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1tzx h VAL 123 CO 0.10 0.21 0.34 -1.13 0.02 0.00 0.00 177.57 177.11 1tzx h ASN 124 N 0.90 0.56 -0.19 0.57 -0.73 -0.30 -0.56 115.58 115.83 1tzx h ASN 124 Ca 0.23 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.40 1tzx h ASN 124 Cb 0.02 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1tzx h ASN 124 CO -0.04 0.40 0.12 1.23 -0.37 0.00 0.00 177.43 178.77 1tzx h GLY 125 N 0.67 0.27 0.92 1.57 0.00 -0.34 -0.91 103.07 105.27 1tzx h GLY 125 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1tzx h GLY 125 CO -0.07 0.11 0.12 -2.22 0.00 0.00 0.00 176.54 174.47 1tzx h ILE 126 N 0.24 1.15 -0.64 2.60 1.08 -1.15 -2.71 117.51 118.08 1tzx h ILE 126 Ca 0.07 -0.45 -0.07 0.00 -0.39 0.00 0.00 64.86 64.02 1tzx h ILE 126 Cb 0.00 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1tzx h ILE 126 CO -0.01 0.16 0.14 -0.07 -0.69 0.00 0.00 178.15 177.67 1tzx h LEU 127 N 0.29 0.96 -0.55 1.44 3.38 -1.03 -0.13 115.31 119.67 1tzx h LEU 127 Ca 0.09 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1tzx h LEU 127 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1tzx h LEU 127 CO -0.01 0.94 0.31 0.44 0.09 0.00 0.00 178.44 180.21 1tzx h ASP 128 N 0.97 0.47 -0.34 -0.43 3.45 -1.04 0.11 116.42 119.60 1tzx h ASP 128 Ca 0.20 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.60 1tzx h ASP 128 Cb 0.37 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1tzx h ASP 128 CO 0.00 0.32 -0.10 0.03 -1.57 0.00 0.00 179.24 177.92 1tzx h ARG 129 N 0.60 0.67 -0.51 3.56 3.08 -1.15 -1.58 114.38 119.04 1tzx h ARG 129 Ca 0.23 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1tzx h ARG 129 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1tzx h ARG 129 CO -0.13 0.85 0.30 0.82 -1.07 0.00 0.00 179.97 180.74 1tzx h ILE 130 N 0.45 1.16 -0.33 2.04 2.04 -0.67 -3.04 117.51 119.15 1tzx h ILE 130 Ca 0.08 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1tzx h ILE 130 Cb 0.62 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1tzx h ILE 130 CO 0.04 0.16 0.14 0.00 0.00 0.00 0.00 178.15 178.49 1tzx h ALA 131 N 1.14 0.43 0.00 1.87 0.00 -0.70 0.99 119.26 122.99 1tzx h ALA 131 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tzx h ALA 131 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1tzx h ALA 131 CO -0.03 0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.59 1tzx n LYS 132 N -4.72 0.15 -0.00 0.00 2.85 -0.61 -1.07 118.16 114.76 1tzx n LYS 132 Ca -0.01 0.52 0.03 0.00 -1.05 0.00 0.00 58.31 57.80 1tzx n LYS 132 Cb 0.13 -1.88 -0.04 0.00 -0.65 0.00 0.00 35.03 32.58 1tzx n LYS 132 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1tzx n GLU 133 N -2.19 2.50 0.00 -1.58 1.02 -1.05 -4.80 120.64 114.54 1tzx n GLU 133 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1tzx n GLU 133 Cb 0.13 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.45 0.00 -1.69 -0.32 8.25 0.32 -5.06 115.22 115.27 1tzx n HIS 134 Ca -0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 1tzx n HIS 134 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1tzx n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tzx n ALA 135 N -0.33 1.89 -1.76 -1.41 0.00 -0.23 -4.89 120.51 113.78 1tzx n ALA 135 Ca 0.00 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 1tzx n ALA 135 Cb 0.05 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.10 1tzx n ALA 135 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1tzx s PRO 136 N 0.65 3.75 0.43 0.00 0.02 -1.26 -4.89 135.00 133.70 1tzx s PRO 136 Ca 0.75 2.21 0.16 0.00 0.02 0.00 0.00 61.00 64.14 1tzx s PRO 136 Cb -0.60 -2.63 1.07 0.00 0.02 0.00 0.00 34.50 32.36 1tzx s PRO 136 CO 0.39 -0.69 1.91 1.57 -0.33 0.00 0.00 177.00 179.85 1tzx h LYS 137 N 2.35 0.39 0.00 5.54 2.10 -2.00 0.16 116.57 125.10 1tzx h LYS 137 Ca -0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1tzx h LYS 137 Cb 1.26 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1tzx h LYS 137 CO 0.61 0.26 0.00 0.93 -2.00 0.00 0.00 179.45 179.25 1tzx h GLU 138 N 0.40 0.00 -0.01 0.07 3.07 -1.98 0.40 114.58 116.53 1tzx h GLU 138 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1tzx h GLU 138 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1tzx h GLU 138 CO -0.12 0.00 -0.54 1.63 -1.40 0.00 0.00 179.01 178.58 1tzx n LYS 139 N -3.03 0.83 -0.31 2.33 5.02 0.57 -4.31 118.16 119.26 1tzx n LYS 139 Ca -0.03 -0.65 0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1tzx n LYS 139 Cb 0.08 -1.49 0.74 0.00 -0.02 0.00 0.00 35.03 34.34 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 1.58 0.04 -2.19 2.13 0.05 -0.84 -3.26 116.94 114.45 1tzx h PHE 140 Ca 0.00 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 61.35 1tzx h PHE 140 Cb 0.64 -0.01 -0.34 0.00 2.00 0.00 0.00 35.95 38.24 1tzx h PHE 140 CO 0.00 0.00 -0.74 -2.00 -0.18 0.00 0.00 178.31 175.39 1tzx s GLU 141 N -4.98 0.58 0.00 1.51 2.56 -1.26 -5.14 118.70 111.97 1tzx s GLU 141 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 54.97 53.97 1tzx s GLU 141 Cb 0.23 -0.91 0.00 0.00 2.00 0.00 0.00 34.13 35.45 1tzx s GLU 141 CO 0.80 -1.18 0.00 1.28 -0.56 0.00 0.00 175.26 175.60