#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzh s VAL 15 N 0.00 4.99 0.54 2.52 1.01 -1.26 -5.02 120.40 123.18 1tzh s VAL 15 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1tzh s VAL 15 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1tzh s VAL 15 CO 0.00 -0.30 1.36 -0.54 0.00 0.00 0.00 175.10 175.62 1tzh s LYS 16 N 2.45 3.17 0.23 2.72 1.02 -1.26 -4.73 119.74 123.33 1tzh s LYS 16 Ca 0.19 2.24 -0.07 0.00 0.02 0.00 0.00 55.97 58.35 1tzh s LYS 16 Cb -0.15 -2.28 0.36 0.00 -0.52 0.00 0.00 37.83 35.24 1tzh s LYS 16 CO 0.14 -1.17 1.73 0.35 -0.92 0.00 0.00 175.35 175.49 1tzh h PHE 17 N 1.50 0.44 -0.61 3.18 3.57 -1.99 -0.97 116.94 122.06 1tzh h PHE 17 Ca -0.51 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.11 1tzh h PHE 17 Cb 1.30 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 1tzh h PHE 17 CO 0.46 0.07 0.25 1.98 -2.23 0.00 0.00 178.31 178.84 1tzh h MET 18 N 0.42 0.43 -0.59 1.11 4.05 -1.99 -0.47 114.93 117.89 1tzh h MET 18 Ca 0.36 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 1tzh h MET 18 Cb 0.50 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 1tzh h MET 18 CO -0.36 0.29 -0.02 -0.44 0.23 0.00 0.00 176.91 176.61 1tzh h ASP 19 N 0.44 1.04 -0.22 1.39 3.32 -1.56 -1.08 116.42 119.76 1tzh h ASP 19 Ca 0.30 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1tzh h ASP 19 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1tzh h ASP 19 CO -0.28 1.10 0.14 0.58 -1.72 0.00 0.00 179.24 179.06 1tzh h VAL 20 N 0.95 1.06 0.17 -1.35 2.07 -0.88 -2.67 116.25 115.61 1tzh h VAL 20 Ca 0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1tzh h VAL 20 Cb 0.58 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1tzh h VAL 20 CO 0.03 0.06 -0.08 0.22 0.02 0.00 0.00 177.57 177.82 1tzh h TYR 21 N 0.29 -0.21 -0.84 1.57 3.20 -0.82 -2.04 116.97 118.13 1tzh h TYR 21 Ca 0.08 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1tzh h TYR 21 Cb -0.02 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1tzh h TYR 21 CO -0.06 -0.11 0.55 1.96 -1.64 0.00 0.00 178.16 178.86 1tzh h GLN 22 N -0.25 1.06 0.00 1.82 4.20 -1.17 -2.25 115.11 118.52 1tzh h GLN 22 Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1tzh h GLN 22 Cb 0.20 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1tzh h GLN 22 CO 0.04 0.70 -0.31 0.00 -0.67 0.00 0.00 178.83 178.59 1tzh h ARG 23 N 1.09 0.00 0.00 1.46 3.08 -1.32 -3.29 114.38 115.40 1tzh h ARG 23 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1tzh h ARG 23 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1tzh h ARG 23 CO -0.08 0.01 -1.19 -1.13 -1.07 0.00 0.00 179.97 176.52 1tzh n SER 24 N -2.98 0.59 -4.77 7.04 3.41 -0.78 -4.97 113.62 111.16 1tzh n SER 24 Ca 0.03 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.89 1tzh n SER 24 Cb 0.54 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 1tzh n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tzh s TYR 25 N -3.21 3.30 -0.19 7.33 5.04 -0.87 -2.57 117.35 126.19 1tzh s TYR 25 Ca 0.03 1.59 -0.17 0.00 -2.44 0.00 0.00 57.07 56.08 1tzh s TYR 25 Cb 0.15 -3.41 -0.07 0.00 0.35 0.00 0.00 41.96 38.98 1tzh s TYR 25 CO 0.83 -1.08 0.69 0.00 -1.34 0.00 0.00 175.55 174.65 1tzh s HIS 27 N 1.64 -0.37 0.11 0.00 -3.43 -0.85 -4.85 115.29 107.54 1tzh s HIS 27 Ca 0.42 0.26 -0.31 0.00 -0.80 0.00 0.00 55.06 54.63 1tzh s HIS 27 Cb -0.56 0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 31.04 1tzh s HIS 27 CO 0.28 -0.56 1.60 -2.14 -2.00 0.00 0.00 174.74 171.92 1tzh s PRO 28 N -3.04 4.21 -0.01 -0.38 0.02 -1.26 -2.30 135.00 132.24 1tzh s PRO 28 Ca 0.04 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1tzh s PRO 28 Cb -0.01 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1tzh s PRO 28 CO -0.09 -0.67 -0.02 -1.50 -0.33 0.00 0.00 177.00 174.40 1tzh s ILE 29 N 1.93 0.19 -0.23 2.83 2.07 0.57 -4.89 121.20 123.67 1tzh s ILE 29 Ca 0.72 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.61 1tzh s ILE 29 Cb -0.41 -0.20 -0.07 0.00 0.13 0.00 0.00 42.46 41.91 1tzh s ILE 29 CO 0.32 0.08 2.20 1.21 -1.91 0.00 0.00 174.94 176.84 1tzh n GLU 30 N 3.35 1.81 -4.47 3.50 2.13 -1.26 -2.41 120.64 123.28 1tzh n GLU 30 Ca -0.17 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 1tzh n GLU 30 Cb 0.56 -3.04 -0.11 0.00 0.27 0.00 0.00 31.44 29.12 1tzh n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1tzh s THR 31 N 7.81 3.06 -0.26 6.31 2.01 -0.07 -4.95 115.64 129.55 1tzh s THR 31 Ca 1.02 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1tzh s THR 31 Cb -0.47 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1tzh s THR 31 CO 0.39 0.25 0.13 -0.76 -0.69 0.00 0.00 174.62 173.94 1tzh s LEU 32 N -1.73 3.75 -0.12 4.42 1.43 -1.26 -0.74 118.68 124.42 1tzh s LEU 32 Ca 0.17 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1tzh s LEU 32 Cb -0.11 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1tzh s LEU 32 CO 0.08 -0.03 -0.14 -0.69 0.23 0.00 0.00 176.35 175.80 1tzh s VAL 33 N 1.62 1.50 0.18 -1.59 1.01 -0.79 -4.92 120.40 117.41 1tzh s VAL 33 Ca 0.07 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1tzh s VAL 33 Cb -0.15 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1tzh s VAL 33 CO 0.07 0.44 1.51 -0.62 0.00 0.00 0.00 175.10 176.51 1tzh s ASP 34 N 1.21 6.63 0.33 3.32 2.15 -1.26 -2.23 116.67 126.83 1tzh s ASP 34 Ca -0.02 2.59 0.03 0.00 0.43 0.00 0.00 52.55 55.58 1tzh s ASP 34 Cb -0.14 -2.60 0.59 0.00 -0.30 0.00 0.00 42.92 40.47 1tzh s ASP 34 CO -0.05 -0.77 1.90 0.40 -0.17 0.00 0.00 175.17 176.48 1tzh h ILE 35 N 3.93 1.19 0.00 4.11 2.04 -1.65 -2.11 117.51 125.03 1tzh h ILE 35 Ca -0.43 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 1tzh h ILE 35 Cb 1.21 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1tzh h ILE 35 CO 0.87 0.24 -0.33 0.15 0.00 0.00 0.00 178.15 179.08 1tzh h PHE 36 N 0.62 0.00 -0.18 1.37 3.57 -1.84 -1.28 116.94 119.19 1tzh h PHE 36 Ca 0.14 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1tzh h PHE 36 Cb 0.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1tzh h PHE 36 CO 0.01 0.33 0.01 0.37 -2.23 0.00 0.00 178.31 176.80 1tzh h GLN 37 N 0.00 0.32 0.00 1.11 4.15 -1.77 -3.14 115.11 115.77 1tzh h GLN 37 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1tzh h GLN 37 Cb 0.76 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1tzh h GLN 37 CO 0.04 0.52 0.00 0.93 -1.93 0.00 0.00 178.83 178.39 1tzh h GLU 38 N 0.08 0.00 -2.15 1.69 4.39 -1.30 -3.31 114.58 113.98 1tzh h GLU 38 Ca 0.05 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.17 1tzh h GLU 38 Cb 0.37 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.62 1tzh h GLU 38 CO 0.01 0.00 -0.92 0.66 -1.16 0.00 0.00 179.01 177.60 1tzh n TYR 39 N -2.55 0.96 -0.35 4.33 4.02 -0.52 -5.00 117.16 118.05 1tzh n TYR 39 Ca 0.03 -3.75 0.14 0.00 -0.01 0.00 0.00 57.90 54.32 1tzh n TYR 39 Cb 0.37 -0.37 0.35 0.00 -0.02 0.00 0.00 39.34 39.67 1tzh n TYR 39 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1tzh h PRO 40 N 4.28 0.68 0.04 -0.72 0.11 -1.64 -3.00 132.00 131.75 1tzh h PRO 40 Ca 0.13 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.94 1tzh h PRO 40 Cb 0.81 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1tzh h PRO 40 CO 0.58 0.45 -1.33 -0.44 -0.21 0.00 0.00 178.00 177.05 1tzh h ASP 41 N 0.70 0.14 -0.37 -2.05 3.32 -1.95 -3.43 116.42 112.78 1tzh h ASP 41 Ca 0.59 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 1tzh h ASP 41 Cb 0.99 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1tzh h ASP 41 CO -0.39 1.15 0.19 -0.70 -1.72 0.00 0.00 179.24 177.77 1tzh s GLU 42 N -2.65 1.70 -0.04 3.56 2.56 -1.13 -4.69 118.70 118.00 1tzh s GLU 42 Ca -0.03 0.10 0.21 0.00 0.00 0.00 0.00 54.97 55.25 1tzh s GLU 42 Cb 0.08 -4.89 -0.30 0.00 2.00 0.00 0.00 34.13 31.03 1tzh s GLU 42 CO 0.83 -4.48 0.45 0.44 -0.56 0.00 0.00 175.26 171.95 1tzh n ILE 43 N 8.66 0.33 1.84 -3.70 -5.35 -1.26 -4.27 119.36 115.60 1tzh n ILE 43 Ca 0.45 -0.57 0.07 0.00 -0.27 0.00 0.00 62.75 62.42 1tzh n ILE 43 Cb 0.45 -0.13 0.41 0.00 -1.74 0.00 0.00 39.64 38.63 1tzh n ILE 43 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1tzh n GLU 44 N -2.40 0.92 -4.27 6.28 0.28 -1.26 -4.82 120.64 115.37 1tzh n GLU 44 Ca -0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.68 1tzh n GLU 44 Cb 0.68 -1.24 -0.12 0.00 1.43 0.00 0.00 31.44 32.19 1tzh n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1tzh s TYR 45 N -2.00 1.71 -0.09 -1.84 2.02 -1.26 -4.48 117.35 111.41 1tzh s TYR 45 Ca 0.21 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1tzh s TYR 45 Cb 0.10 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.71 1tzh s TYR 45 CO 0.16 0.18 -0.24 0.42 -1.57 0.00 0.00 175.55 174.51 1tzh s ILE 46 N -1.18 2.09 -0.11 2.71 1.01 0.98 -4.95 121.20 121.76 1tzh s ILE 46 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1tzh s ILE 46 Cb -0.10 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1tzh s ILE 46 CO 0.04 0.56 0.05 -0.36 0.00 0.00 0.00 174.94 175.23 1tzh s PHE 47 N 0.19 3.31 -0.17 3.97 0.08 -1.26 -1.11 117.98 122.99 1tzh s PHE 47 Ca -0.14 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 1tzh s PHE 47 Cb -0.17 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1tzh s PHE 47 CO 0.07 0.52 0.02 0.21 -0.10 0.00 0.00 175.22 175.94 1tzh s LYS 48 N -0.81 0.75 0.63 0.44 2.20 -0.74 -1.01 119.74 121.20 1tzh s LYS 48 Ca 0.13 -0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.24 1tzh s LYS 48 Cb -0.12 -1.89 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 1tzh s LYS 48 CO 0.03 -0.55 1.10 -1.25 -0.36 0.00 0.00 175.35 174.32 1tzh s PRO 49 N 1.85 2.98 0.00 4.03 0.04 -1.26 -1.56 135.00 141.07 1tzh s PRO 49 Ca 0.00 1.39 0.26 0.00 0.04 0.00 0.00 61.00 62.70 1tzh s PRO 49 Cb -0.16 -1.97 1.46 0.00 0.04 0.00 0.00 34.50 33.87 1tzh s PRO 49 CO -0.07 -1.11 1.89 -1.13 0.04 0.00 0.00 177.00 176.62 1tzh n SER 50 N -2.16 0.00 -3.82 6.66 3.41 -0.18 -4.84 113.62 112.69 1tzh n SER 50 Ca 0.10 -0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 58.06 1tzh n SER 50 Cb 0.52 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1tzh n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tzh s VAL 52 N -3.74 0.30 -0.42 0.00 -7.23 -0.95 -4.93 120.40 103.43 1tzh s VAL 52 Ca 0.04 -1.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 1tzh s VAL 52 Cb 0.04 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.57 1tzh s VAL 52 CO -0.11 -0.46 1.00 -2.16 -0.31 0.00 0.00 175.10 173.07 1tzh s PRO 53 N -1.56 3.75 -0.04 4.82 0.04 -1.26 -1.89 135.00 138.86 1tzh s PRO 53 Ca -0.13 0.51 0.06 0.00 0.04 0.00 0.00 61.00 61.48 1tzh s PRO 53 Cb -0.10 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1tzh s PRO 53 CO -0.01 -1.14 -0.21 -0.51 0.04 0.00 0.00 177.00 175.17 1tzh s LEU 54 N 3.85 2.00 -0.33 -3.56 1.43 0.08 -4.94 118.68 117.20 1tzh s LEU 54 Ca 0.41 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1tzh s LEU 54 Cb -0.10 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1tzh s LEU 54 CO 0.24 0.21 1.35 -0.04 0.23 0.00 0.00 176.35 178.35 1tzh s MET 55 N -0.19 3.80 0.07 1.70 -1.94 -1.26 -0.89 119.30 120.60 1tzh s MET 55 Ca -0.00 1.17 0.03 0.00 -1.71 0.00 0.00 55.69 55.17 1tzh s MET 55 Cb -0.11 -3.93 -0.03 0.00 2.01 0.00 0.00 34.83 32.76 1tzh s MET 55 CO 0.02 -1.27 -0.08 1.03 -0.01 0.00 0.00 175.02 174.71 1tzh s ARG 56 N 4.43 0.71 -0.03 2.03 1.81 -1.01 0.76 118.95 127.66 1tzh s ARG 56 Ca 0.58 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 1tzh s ARG 56 Cb -0.16 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.94 1tzh s ARG 56 CO 0.26 0.04 1.48 0.00 -0.68 0.00 0.00 175.30 176.40 1tzh s GLY 58 N 2.33 0.93 0.00 0.00 0.00 -0.97 -4.93 107.32 104.68 1tzh s GLY 58 Ca 0.66 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1tzh s GLY 58 CO 0.26 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1tzh n GLY 59 N -0.10 -0.23 3.24 0.20 0.00 -1.26 -2.01 105.19 105.02 1tzh n GLY 59 Ca -0.06 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 1tzh n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tzh n ASN 62 N -1.13 -0.96 -3.65 0.00 3.02 -1.26 -4.92 115.26 106.36 1tzh n ASN 62 Ca 0.02 -1.05 -0.03 0.00 -0.03 0.00 0.00 54.58 53.50 1tzh n ASN 62 Cb 0.18 -2.76 -0.05 0.00 -0.61 0.00 0.00 39.78 36.54 1tzh n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tzh s ASP 63 N -4.07 -1.08 0.49 6.41 -1.08 -1.26 -5.06 116.67 111.01 1tzh s ASP 63 Ca 0.21 1.56 0.14 0.00 -0.52 0.00 0.00 52.55 53.94 1tzh s ASP 63 Cb -0.12 2.04 1.17 0.00 -1.46 0.00 0.00 42.92 44.56 1tzh s ASP 63 CO 0.92 -0.23 2.13 1.05 0.52 0.00 0.00 175.17 179.56 1tzh h GLU 64 N 7.72 0.13 0.00 4.34 4.11 -2.04 -1.80 114.58 127.04 1tzh h GLU 64 Ca -0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 1tzh h GLU 64 Cb 1.14 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1tzh h GLU 64 CO 0.12 0.09 -0.08 0.78 0.07 0.00 0.00 179.01 179.99 1tzh h GLY 65 N 0.13 0.00 -2.66 1.06 0.00 -1.97 -3.48 103.07 96.16 1tzh h GLY 65 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.83 1tzh h GLY 65 CO -0.01 0.00 -0.60 1.08 0.00 0.00 0.00 176.54 177.01 1tzh s LEU 66 N -6.27 3.41 -0.07 3.11 1.43 -0.68 -2.03 118.68 117.59 1tzh s LEU 66 Ca 0.05 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1tzh s LEU 66 Cb 0.06 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1tzh s LEU 66 CO 0.66 -0.03 0.32 -1.83 0.23 0.00 0.00 176.35 175.70 1tzh s GLU 67 N -3.74 0.51 -0.31 1.70 -1.05 -0.40 -4.78 118.70 110.63 1tzh s GLU 67 Ca 0.32 0.15 -0.29 0.00 -0.15 0.00 0.00 54.97 55.01 1tzh s GLU 67 Cb -0.07 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.88 1tzh s GLU 67 CO 0.22 -0.11 1.06 0.00 0.95 0.00 0.00 175.26 177.38 1tzh s VAL 69 N 3.57 0.28 0.51 0.00 -7.23 -0.65 -4.96 120.40 111.92 1tzh s VAL 69 Ca 0.45 -1.24 -0.21 0.00 -1.81 0.00 0.00 61.98 59.17 1tzh s VAL 69 Cb -0.13 -0.75 -0.07 0.00 0.56 0.00 0.00 36.38 36.00 1tzh s VAL 69 CO 0.14 -0.62 1.12 -2.16 -0.31 0.00 0.00 175.10 173.28 1tzh s PRO 70 N -2.25 3.57 0.00 4.82 0.04 -1.26 -1.51 135.00 138.40 1tzh s PRO 70 Ca -0.07 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1tzh s PRO 70 Cb -0.05 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1tzh s PRO 70 CO -0.03 -0.68 0.00 0.25 0.04 0.00 0.00 177.00 176.58 1tzh n THR 71 N -0.97 0.00 -3.84 1.26 -2.24 -0.53 -4.83 114.28 103.13 1tzh n THR 71 Ca 0.10 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1tzh n THR 71 Cb 0.50 0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 69.44 1tzh n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tzh s GLU 72 N -0.97 0.11 0.17 -0.78 2.02 -1.24 -4.95 118.70 113.06 1tzh s GLU 72 Ca 0.00 0.14 0.08 0.00 0.02 0.00 0.00 54.97 55.21 1tzh s GLU 72 Cb 0.00 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 1tzh s GLU 72 CO 0.00 -0.15 -0.16 -1.21 0.02 0.00 0.00 175.26 173.76 1tzh s GLU 73 N 1.05 1.25 0.26 1.61 2.02 -1.26 -1.18 118.70 122.45 1tzh s GLU 73 Ca -0.09 -1.46 -0.19 0.00 0.02 0.00 0.00 54.97 53.25 1tzh s GLU 73 Cb -0.13 -1.15 0.02 0.00 0.10 0.00 0.00 34.13 32.97 1tzh s GLU 73 CO -0.02 0.21 0.63 -1.54 0.02 0.00 0.00 175.26 174.56 1tzh s SER 74 N -2.93 -0.23 0.18 -0.19 1.04 -0.97 -4.90 113.70 105.71 1tzh s SER 74 Ca 0.18 -0.65 0.07 0.00 0.48 0.00 0.00 55.95 56.03 1tzh s SER 74 Cb -0.03 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1tzh s SER 74 CO 0.06 -1.24 0.02 0.20 0.98 0.00 0.00 173.24 173.25 1tzh s ASN 75 N -2.93 4.84 -0.01 7.02 -0.87 -1.26 0.08 114.94 121.80 1tzh s ASN 75 Ca 0.13 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 1tzh s ASN 75 Cb -0.04 -1.05 0.01 0.00 -0.02 0.00 0.00 41.25 40.15 1tzh s ASN 75 CO 0.05 0.08 -0.01 -0.51 -2.57 0.00 0.00 177.10 174.14 1tzh s ILE 76 N -1.79 0.12 -0.05 0.60 2.07 -0.72 -4.91 121.20 116.53 1tzh s ILE 76 Ca 0.28 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.51 1tzh s ILE 76 Cb -0.09 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 1tzh s ILE 76 CO 0.19 0.07 0.09 -0.89 -1.91 0.00 0.00 174.94 172.49 1tzh s THR 77 N 0.40 4.89 -0.07 4.00 2.01 -1.26 -1.27 115.64 124.33 1tzh s THR 77 Ca -0.04 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1tzh s THR 77 Cb -0.06 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.31 1tzh s THR 77 CO -0.01 0.47 0.16 -0.04 -0.69 0.00 0.00 174.62 174.51 1tzh s MET 78 N -1.40 0.14 0.12 4.92 -1.94 -0.64 -4.96 119.30 115.54 1tzh s MET 78 Ca 0.19 0.35 -0.31 0.00 -1.71 0.00 0.00 55.69 54.21 1tzh s MET 78 Cb -0.12 -0.09 -0.07 0.00 2.01 0.00 0.00 34.83 36.56 1tzh s MET 78 CO 0.09 -0.12 1.31 -0.65 -0.01 0.00 0.00 175.02 175.64 1tzh s GLN 79 N 0.84 4.38 -0.01 2.03 -0.21 -1.26 -1.68 119.66 123.75 1tzh s GLN 79 Ca -0.06 1.97 0.00 0.00 0.02 0.00 0.00 55.36 57.29 1tzh s GLN 79 Cb -0.08 -3.26 0.02 0.00 1.00 0.00 0.00 33.01 30.69 1tzh s GLN 79 CO -0.04 -0.33 0.01 0.42 -2.12 0.00 0.00 175.29 173.23 1tzh s ILE 80 N 0.82 0.01 -0.57 1.08 -1.09 0.22 -4.91 121.20 116.75 1tzh s ILE 80 Ca 0.61 0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.86 1tzh s ILE 80 Cb -0.34 -0.10 0.02 0.00 -1.58 0.00 0.00 42.46 40.46 1tzh s ILE 80 CO 0.32 0.07 1.28 -0.04 -1.23 0.00 0.00 174.94 175.34 1tzh s MET 81 N 0.71 3.44 -0.51 2.79 -1.94 -0.60 -1.07 119.30 122.11 1tzh s MET 81 Ca -0.06 0.33 -0.19 0.00 -1.71 0.00 0.00 55.69 54.06 1tzh s MET 81 Cb -0.09 -4.06 0.06 0.00 2.01 0.00 0.00 34.83 32.75 1tzh s MET 81 CO -0.02 -1.78 0.64 1.03 -0.01 0.00 0.00 175.02 174.88 1tzh s ARG 82 N 5.16 3.13 -0.26 2.03 0.52 -0.83 -1.79 118.95 126.91 1tzh s ARG 82 Ca 0.47 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.65 1tzh s ARG 82 Cb -0.09 -4.10 -0.03 0.00 0.52 0.00 0.00 34.95 31.25 1tzh s ARG 82 CO 0.25 -1.24 0.41 0.42 0.02 0.00 0.00 175.30 175.17 1tzh s ILE 83 N 2.68 5.15 -0.40 1.52 1.01 -0.27 -2.72 121.20 128.18 1tzh s ILE 83 Ca 0.16 0.67 -0.17 0.00 0.00 0.00 0.00 60.65 61.30 1tzh s ILE 83 Cb -0.19 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1tzh s ILE 83 CO 0.12 0.16 0.46 -0.54 0.00 0.00 0.00 174.94 175.14 1tzh s LYS 84 N 2.00 3.30 0.42 2.79 1.02 -0.19 -0.01 119.74 129.07 1tzh s LYS 84 Ca 0.17 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 1tzh s LYS 84 Cb -0.16 -3.91 -0.10 0.00 -0.52 0.00 0.00 37.83 33.15 1tzh s LYS 84 CO 0.09 -0.77 1.31 -2.30 -0.92 0.00 0.00 175.35 172.76 1tzh n PRO 85 N 5.66 2.02 -1.66 -1.68 -0.02 -1.26 -2.16 135.00 135.91 1tzh n PRO 85 Ca -0.06 0.72 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 1tzh n PRO 85 Cb 0.48 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 1tzh n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1tzh n HIS 86 N -0.18 -0.13 0.07 6.00 8.25 -1.26 -4.76 115.22 123.22 1tzh n HIS 86 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1tzh n HIS 86 Cb 0.40 -3.18 0.00 0.00 1.12 0.00 0.00 29.99 28.33 1tzh n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tzh n GLN 87 N -2.51 0.00 -3.56 -0.41 6.02 -1.03 -5.19 117.38 110.70 1tzh n GLN 87 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1tzh n GLN 87 Cb 0.61 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.87 1tzh n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tzh n GLY 88 N 1.29 -2.07 3.08 1.08 0.00 -0.92 -5.06 105.19 102.59 1tzh n GLY 88 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 1tzh n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tzh s GLN 89 N -1.93 0.56 -0.28 1.61 -2.07 -1.26 -1.02 119.66 115.27 1tzh s GLN 89 Ca 0.00 -0.97 -0.21 0.00 -1.82 0.00 0.00 55.36 52.36 1tzh s GLN 89 Cb 0.00 0.20 0.08 0.00 -1.09 0.00 0.00 33.01 32.20 1tzh s GLN 89 CO 0.00 -0.12 0.74 -1.58 -1.32 0.00 0.00 175.29 173.02 1tzh s HIS 90 N -3.10 -0.86 0.81 9.60 2.46 -1.10 -5.01 115.29 118.10 1tzh s HIS 90 Ca -0.01 1.91 -0.13 0.00 0.47 0.00 0.00 55.06 57.31 1tzh s HIS 90 Cb 0.02 0.41 0.08 0.00 -0.13 0.00 0.00 32.58 32.96 1tzh s HIS 90 CO -0.07 -0.42 1.18 -1.50 -2.47 0.00 0.00 174.74 171.46 1tzh s ILE 91 N 0.86 2.27 -0.20 0.89 2.07 -1.26 -1.97 121.20 123.86 1tzh s ILE 91 Ca -0.04 0.11 -0.35 0.00 -1.41 0.00 0.00 60.65 58.96 1tzh s ILE 91 Cb -0.05 -2.46 0.14 0.00 0.13 0.00 0.00 42.46 40.23 1tzh s ILE 91 CO -0.08 -0.09 1.22 -0.83 -1.91 0.00 0.00 174.94 173.25 1tzh s GLY 92 N -2.39 -0.27 0.03 1.50 0.00 -0.23 -4.83 107.32 101.12 1tzh s GLY 92 Ca 0.70 1.68 -0.11 0.00 0.00 0.00 0.00 44.72 47.00 1tzh s GLY 92 CO 0.51 0.58 0.37 -0.54 0.00 0.00 0.00 173.10 174.02 1tzh s GLU 93 N -2.30 3.76 -0.00 2.90 2.02 -1.26 -0.61 118.70 123.21 1tzh s GLU 93 Ca 0.09 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.29 1tzh s GLU 93 Cb -0.01 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1tzh s GLU 93 CO -0.05 0.63 -0.02 -1.64 0.02 0.00 0.00 175.26 174.21 1tzh s MET 94 N -1.54 0.19 0.05 1.61 -1.94 -0.67 -4.95 119.30 112.05 1tzh s MET 94 Ca 0.28 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1tzh s MET 94 Cb -0.15 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.44 1tzh s MET 94 CO 0.15 0.03 0.16 -1.12 -0.01 0.00 0.00 175.02 174.22 1tzh s SER 95 N 0.08 6.06 -0.00 3.03 0.01 -1.26 -1.62 113.70 119.99 1tzh s SER 95 Ca -0.00 0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1tzh s SER 95 Cb -0.02 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.40 1tzh s SER 95 CO -0.00 0.19 0.03 -0.36 0.41 0.00 0.00 173.24 173.51 1tzh s PHE 96 N -1.42 0.07 0.10 2.43 0.08 -0.40 -4.96 117.98 113.88 1tzh s PHE 96 Ca 0.31 -0.14 -0.31 0.00 0.12 0.00 0.00 56.93 56.92 1tzh s PHE 96 Cb -0.13 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.19 1tzh s PHE 96 CO 0.24 -0.11 1.25 -1.17 -0.10 0.00 0.00 175.22 175.33 1tzh s LEU 97 N -0.65 4.38 0.19 -0.37 2.96 -1.26 -1.75 118.68 122.18 1tzh s LEU 97 Ca -0.07 2.15 0.09 0.00 -0.22 0.00 0.00 54.13 56.08 1tzh s LEU 97 Cb -0.04 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1tzh s LEU 97 CO -0.00 -0.51 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.31 1tzh s GLN 98 N 0.84 1.98 -0.28 1.98 -0.21 0.11 -4.80 119.66 119.28 1tzh s GLN 98 Ca 0.59 -1.33 -0.07 0.00 0.02 0.00 0.00 55.36 54.58 1tzh s GLN 98 Cb -0.32 -2.10 -0.00 0.00 1.00 0.00 0.00 33.01 31.59 1tzh s GLN 98 CO 0.31 0.42 0.07 -1.01 -2.12 0.00 0.00 175.29 172.96 1tzh s HIS 99 N -1.76 3.11 0.04 0.91 3.76 0.23 -2.29 115.29 119.30 1tzh s HIS 99 Ca 0.25 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 1tzh s HIS 99 Cb -0.08 -2.24 -0.25 0.00 1.11 0.00 0.00 32.58 31.12 1tzh s HIS 99 CO 0.15 -0.51 0.98 -0.91 -0.85 0.00 0.00 174.74 173.60 1tzh h ASN 100 N 8.23 0.18 -4.75 1.40 2.35 -1.44 -3.40 115.58 118.15 1tzh h ASN 100 Ca -0.34 -0.24 -0.26 0.00 -0.55 0.00 0.00 56.30 54.91 1tzh h ASN 100 Cb 1.14 -0.06 -0.22 0.00 0.05 0.00 0.00 38.32 39.24 1tzh h ASN 100 CO 0.60 1.20 -0.73 -0.75 -1.65 0.00 0.00 177.43 176.10 1tzh s LYS 101 N -2.65 0.47 -0.02 0.81 2.36 -1.10 -4.90 119.74 114.71 1tzh s LYS 101 Ca -0.04 -0.69 -0.01 0.00 -2.55 0.00 0.00 55.97 52.68 1tzh s LYS 101 Cb 0.08 -0.22 0.01 0.00 -1.05 0.00 0.00 37.83 36.65 1tzh s LYS 101 CO 0.84 0.03 0.04 0.00 1.55 0.00 0.00 175.35 177.81 1tzh s GLU 103 N 0.30 0.65 -0.32 0.00 2.02 -0.57 -4.82 118.70 115.97 1tzh s GLU 103 Ca -0.02 -1.20 -0.23 0.00 0.02 0.00 0.00 54.97 53.54 1tzh s GLU 103 Cb -0.04 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1tzh s GLU 103 CO -0.01 -0.07 0.78 0.00 0.02 0.00 0.00 175.26 175.98 1tzh s ARG 105 N 2.98 1.39 0.48 0.00 1.81 -0.82 -4.84 118.95 119.95 1tzh s ARG 105 Ca 0.32 -1.48 -0.24 0.00 -1.72 0.00 0.00 55.73 52.61 1tzh s ARG 105 Cb -0.14 -1.53 -0.07 0.00 -0.45 0.00 0.00 34.95 32.76 1tzh s ARG 105 CO 0.13 0.31 1.39 -2.30 -0.68 0.00 0.00 175.30 174.16 1tzh n PRO 106 N 0.20 2.01 0.00 3.54 -0.02 -1.26 -1.28 135.00 138.19 1tzh n PRO 106 Ca -0.12 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1tzh n PRO 106 Cb 0.57 -2.58 0.56 0.00 -0.02 0.00 0.00 33.50 32.02 1tzh n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11