#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 5.06 0.74 2.52 1.01 -1.26 -5.02 120.40 123.44 1tzh s VAL 15 Ca 0.00 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 1tzh s VAL 15 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1tzh s VAL 15 CO 0.00 0.13 1.07 -0.54 0.00 0.00 0.00 175.10 175.76 1tzh s LYS 16 N 1.87 2.59 0.07 2.72 -0.14 -1.26 -4.82 119.74 120.77 1tzh s LYS 16 Ca 0.26 1.00 -0.34 0.00 -1.36 0.00 0.00 55.97 55.53 1tzh s LYS 16 Cb -0.16 -1.95 -0.19 0.00 -1.68 0.00 0.00 37.83 33.86 1tzh s LYS 16 CO 0.10 -1.36 1.61 0.35 -0.76 0.00 0.00 175.35 175.29 1tzh h PHE 17 N -0.91 -0.95 -0.78 3.18 3.57 -2.00 -2.65 116.94 116.40 1tzh h PHE 17 Ca -0.44 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.19 1tzh h PHE 17 Cb 1.22 0.32 -0.10 0.00 2.79 0.00 0.00 35.95 40.19 1tzh h PHE 17 CO 0.59 -0.57 0.32 1.98 -2.23 0.00 0.00 178.31 178.39 1tzh h MET 18 N -0.97 0.44 -0.46 1.11 4.05 -1.99 -0.95 114.93 116.15 1tzh h MET 18 Ca -0.09 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1tzh h MET 18 Cb 0.76 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 1tzh h MET 18 CO 0.13 0.29 0.15 -0.44 0.23 0.00 0.00 176.91 177.27 1tzh h ASP 19 N 0.45 0.13 -0.17 1.39 3.32 -1.86 -1.24 116.42 118.45 1tzh h ASP 19 Ca 0.43 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.52 1tzh h ASP 19 Cb 0.67 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1tzh h ASP 19 CO -0.42 0.11 0.00 0.58 -1.72 0.00 0.00 179.24 177.79 1tzh h VAL 20 N 0.31 1.25 -0.24 -1.35 2.07 -0.88 -2.54 116.25 114.86 1tzh h VAL 20 Ca 0.22 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1tzh h VAL 20 Cb 0.24 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1tzh h VAL 20 CO -0.24 0.25 0.08 0.22 0.02 0.00 0.00 177.57 177.90 1tzh h TYR 21 N 0.05 0.14 0.00 1.57 3.20 -1.13 -2.02 116.97 118.78 1tzh h TYR 21 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1tzh h TYR 21 Cb 0.37 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1tzh h TYR 21 CO 0.03 0.07 -0.01 0.37 -1.64 0.00 0.00 178.16 176.98 1tzh h GLN 22 N 0.19 0.00 0.00 1.82 5.75 -1.25 -1.90 115.11 119.72 1tzh h GLN 22 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1tzh h GLN 22 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1tzh h GLN 22 CO -0.11 0.01 -1.25 0.54 -2.65 0.00 0.00 178.83 175.36 1tzh n ARG 23 N -3.10 0.57 -0.07 1.69 1.74 -0.96 -4.32 116.66 112.21 1tzh n ARG 23 Ca 0.00 -0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.07 1tzh n ARG 23 Cb 0.27 -1.44 0.08 0.00 -1.02 0.00 0.00 32.46 30.36 1tzh n ARG 23 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1tzh n SER 24 N -1.71 2.28 -4.76 0.55 3.41 -0.78 -5.01 113.62 107.61 1tzh n SER 24 Ca 0.01 -1.68 -0.41 0.00 -0.26 0.00 0.00 58.87 56.54 1tzh n SER 24 Cb 0.38 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.91 3.25 -0.31 7.33 5.04 -0.73 -2.15 117.35 128.86 1tzh s TYR 25 Ca 0.16 1.43 -0.22 0.00 -2.44 0.00 0.00 57.07 56.00 1tzh s TYR 25 Cb 0.09 -3.56 -0.10 0.00 0.35 0.00 0.00 41.96 38.75 1tzh s TYR 25 CO 0.13 -1.53 1.17 0.00 -1.34 0.00 0.00 175.55 173.98 1tzh s HIS 27 N 3.41 -0.09 -0.10 0.00 -3.43 -1.26 -4.77 115.29 109.06 1tzh s HIS 27 Ca 0.64 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.30 1tzh s HIS 27 Cb -0.76 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 30.87 1tzh s HIS 27 CO 0.33 -1.07 1.34 -1.25 -2.00 0.00 0.00 174.74 172.08 1tzh s PRO 28 N -3.91 4.26 -0.02 -0.38 0.04 -1.26 -1.24 135.00 132.48 1tzh s PRO 28 Ca 0.12 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1tzh s PRO 28 Cb -0.03 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 1tzh s PRO 28 CO 0.03 -0.65 -0.15 -1.50 0.04 0.00 0.00 177.00 174.77 1tzh s ILE 29 N 3.13 1.17 0.21 0.56 2.07 -0.34 -4.82 121.20 123.17 1tzh s ILE 29 Ca 0.60 -0.62 -0.32 0.00 -1.41 0.00 0.00 60.65 58.89 1tzh s ILE 29 Cb -0.26 -0.98 -0.13 0.00 0.13 0.00 0.00 42.46 41.22 1tzh s ILE 29 CO 0.21 0.33 1.52 1.21 -1.91 0.00 0.00 174.94 176.30 1tzh n GLU 30 N 2.83 2.20 -3.74 3.50 2.13 -1.26 -1.64 120.64 124.65 1tzh n GLU 30 Ca -0.15 0.79 -0.14 0.00 0.66 0.00 0.00 57.16 58.31 1tzh n GLU 30 Cb 0.55 -2.52 -0.15 0.00 0.27 0.00 0.00 31.44 29.59 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 0.43 -0.08 -0.35 6.31 2.01 0.16 -4.92 115.64 119.20 1tzh s THR 31 Ca 0.73 0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 1tzh s THR 31 Cb -0.64 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1tzh s THR 31 CO 0.43 0.09 0.64 -0.76 -0.69 0.00 0.00 174.62 174.33 1tzh s LEU 32 N 1.32 4.24 -0.05 4.42 1.43 -1.26 -1.44 118.68 127.34 1tzh s LEU 32 Ca -0.07 0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1tzh s LEU 32 Cb -0.12 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1tzh s LEU 32 CO -0.06 -0.59 -0.18 -0.69 0.23 0.00 0.00 176.35 175.07 1tzh s VAL 33 N 2.71 2.75 0.11 -1.59 1.01 -0.35 -4.90 120.40 120.13 1tzh s VAL 33 Ca 0.25 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1tzh s VAL 33 Cb -0.14 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1tzh s VAL 33 CO 0.15 0.58 1.11 -0.62 0.00 0.00 0.00 175.10 176.32 1tzh s ASP 34 N -0.61 7.23 0.11 3.32 2.15 -1.26 -0.49 116.67 127.12 1tzh s ASP 34 Ca 0.09 1.99 -0.18 0.00 0.43 0.00 0.00 52.55 54.88 1tzh s ASP 34 Cb -0.11 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.87 1tzh s ASP 34 CO 0.01 -0.31 1.64 0.40 -0.17 0.00 0.00 175.17 176.74 1tzh h ILE 35 N 4.16 1.19 -0.92 4.11 2.04 -1.24 -2.61 117.51 124.24 1tzh h ILE 35 Ca -0.43 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 64.92 1tzh h ILE 35 Cb 1.21 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 1tzh h ILE 35 CO 0.76 0.20 0.59 0.15 0.00 0.00 0.00 178.15 179.85 1tzh h PHE 36 N 0.33 1.02 -0.64 1.37 3.04 -1.83 -0.55 116.94 119.69 1tzh h PHE 36 Ca 0.10 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1tzh h PHE 36 Cb 0.21 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 1tzh h PHE 36 CO -0.00 0.49 0.26 0.37 -2.02 0.00 0.00 178.31 177.41 1tzh h GLN 37 N 0.97 0.95 0.00 1.11 4.15 -1.91 -2.78 115.11 117.59 1tzh h GLN 37 Ca 0.42 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1tzh h GLN 37 Cb 0.33 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1tzh h GLN 37 CO -0.18 0.80 -0.08 0.93 -1.93 0.00 0.00 178.83 178.37 1tzh h GLU 38 N 0.90 0.00 -2.25 1.69 4.39 -0.82 -3.36 114.58 115.13 1tzh h GLU 38 Ca 0.21 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.33 1tzh h GLU 38 Cb 0.20 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.46 1tzh h GLU 38 CO -0.02 0.08 -1.00 0.66 -1.16 0.00 0.00 179.01 177.57 1tzh n TYR 39 N -3.18 -0.49 0.30 4.33 4.02 -0.34 -4.99 117.16 116.81 1tzh n TYR 39 Ca 0.01 -3.45 0.18 0.00 -0.01 0.00 0.00 57.90 54.63 1tzh n TYR 39 Cb 0.41 -0.01 0.90 0.00 -0.02 0.00 0.00 39.34 40.62 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 4.99 0.00 0.00 -0.72 0.11 -1.65 -2.99 132.00 131.74 1tzh h PRO 40 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1tzh h PRO 40 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1tzh h PRO 40 CO 0.43 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.97 1tzh n ASP 41 N -2.85 0.56 -4.00 -2.05 9.92 -1.26 -4.42 116.55 112.45 1tzh n ASP 41 Ca -0.01 0.56 -0.43 0.00 -0.53 0.00 0.00 54.79 54.37 1tzh n ASP 41 Cb 0.14 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1tzh n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1tzh n GLU 42 N -2.03 3.77 0.15 -1.24 -0.58 -1.13 -4.76 120.64 114.82 1tzh n GLU 42 Ca 0.06 -3.83 -0.00 0.00 -0.42 0.00 0.00 57.16 52.96 1tzh n GLU 42 Cb 0.40 -2.83 0.24 0.00 -0.57 0.00 0.00 31.44 28.67 1tzh n GLU 42 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1tzh h ILE 43 N 3.79 1.37 -0.27 -3.67 3.07 -1.88 -3.27 117.51 116.65 1tzh h ILE 43 Ca 0.33 -1.77 0.00 0.00 1.55 0.00 0.00 64.86 64.98 1tzh h ILE 43 Cb 0.67 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1tzh h ILE 43 CO 1.49 0.51 0.00 -1.84 -1.05 0.00 0.00 178.15 177.25 1tzh n GLU 44 N -3.93 1.77 -5.05 0.16 0.28 -1.26 -4.86 120.64 107.74 1tzh n GLU 44 Ca -0.01 -1.18 -0.29 0.00 -0.16 0.00 0.00 57.16 55.52 1tzh n GLU 44 Cb 0.53 -1.32 -0.15 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.64 2.11 -0.04 -1.84 2.02 -1.23 -4.41 117.35 112.32 1tzh s TYR 45 Ca 0.27 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1tzh s TYR 45 Cb 0.14 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 1tzh s TYR 45 CO 0.20 0.01 0.16 0.42 -1.57 0.00 0.00 175.55 174.77 1tzh s ILE 46 N -0.63 5.40 -0.04 2.71 1.01 -0.10 -4.96 121.20 124.59 1tzh s ILE 46 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1tzh s ILE 46 Cb -0.09 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1tzh s ILE 46 CO 0.00 0.40 -0.10 -0.36 0.00 0.00 0.00 174.94 174.88 1tzh s PHE 47 N -1.24 2.82 -0.23 3.97 0.08 -1.26 -0.89 117.98 121.23 1tzh s PHE 47 Ca 0.24 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 1tzh s PHE 47 Cb -0.12 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 40.75 1tzh s PHE 47 CO 0.15 0.29 0.03 0.21 -0.10 0.00 0.00 175.22 175.79 1tzh s LYS 48 N -0.99 0.90 0.84 0.44 2.20 -0.67 -2.12 119.74 120.35 1tzh s LYS 48 Ca 0.13 -0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 54.94 1tzh s LYS 48 Cb -0.11 -2.21 0.10 0.00 -1.51 0.00 0.00 37.83 34.10 1tzh s LYS 48 CO 0.03 -0.70 1.10 -2.14 -0.36 0.00 0.00 175.35 173.28 1tzh s PRO 49 N 1.70 1.73 0.34 4.03 0.02 -1.26 -1.80 135.00 139.75 1tzh s PRO 49 Ca -0.00 0.66 0.20 0.00 0.02 0.00 0.00 61.00 61.88 1tzh s PRO 49 Cb -0.18 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.65 1tzh s PRO 49 CO -0.11 -1.87 1.44 0.66 -0.33 0.00 0.00 177.00 176.78 1tzh h SER 50 N -1.28 0.00 -3.79 2.53 4.64 -1.84 -3.46 113.55 110.35 1tzh h SER 50 Ca -0.48 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.40 1tzh h SER 50 Cb 1.28 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.20 1tzh h SER 50 CO 0.58 0.19 -0.76 0.00 -0.87 0.00 0.00 176.83 175.97 1tzh s VAL 52 N -2.36 1.34 -0.44 0.00 -7.23 0.36 -4.89 120.40 107.18 1tzh s VAL 52 Ca 0.13 -1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 58.58 1tzh s VAL 52 Cb -0.04 -1.30 0.03 0.00 0.56 0.00 0.00 36.38 35.63 1tzh s VAL 52 CO 0.04 -0.20 1.04 -2.16 -0.31 0.00 0.00 175.10 173.51 1tzh s PRO 53 N -1.94 3.72 -0.05 4.82 0.04 -1.26 -1.22 135.00 139.12 1tzh s PRO 53 Ca 0.02 0.50 0.05 0.00 0.04 0.00 0.00 61.00 61.62 1tzh s PRO 53 Cb -0.09 -3.88 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 1tzh s PRO 53 CO 0.03 -1.22 -0.20 -0.51 0.04 0.00 0.00 177.00 175.13 1tzh s LEU 54 N 4.03 1.98 0.02 -3.56 1.43 -0.52 -4.90 118.68 117.15 1tzh s LEU 54 Ca 0.43 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1tzh s LEU 54 Cb -0.09 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 1tzh s LEU 54 CO 0.27 0.20 1.51 -0.04 0.23 0.00 0.00 176.35 178.51 1tzh s MET 55 N -0.09 4.24 -0.08 1.70 -1.94 -1.26 -0.67 119.30 121.21 1tzh s MET 55 Ca -0.02 2.10 -0.10 0.00 -1.71 0.00 0.00 55.69 55.96 1tzh s MET 55 Cb -0.12 -3.62 0.02 0.00 2.01 0.00 0.00 34.83 33.12 1tzh s MET 55 CO 0.02 -0.66 0.26 1.03 -0.01 0.00 0.00 175.02 175.67 1tzh s ARG 56 N 2.65 0.39 0.25 2.03 1.81 -0.65 -1.23 118.95 124.20 1tzh s ARG 56 Ca 0.68 0.20 -0.30 0.00 -1.72 0.00 0.00 55.73 54.59 1tzh s ARG 56 Cb -0.34 0.18 -0.14 0.00 -0.45 0.00 0.00 34.95 34.20 1tzh s ARG 56 CO 0.28 -0.07 1.12 0.00 -0.68 0.00 0.00 175.30 175.96 1tzh n GLY 58 N 1.54 -0.04 0.00 0.00 0.00 -0.37 -4.83 105.19 101.49 1tzh n GLY 58 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1tzh n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tzh n GLY 59 N 2.42 0.96 3.33 -0.02 0.00 -1.26 -4.93 105.19 105.69 1tzh n GLY 59 Ca 0.00 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.20 -5.63 0.00 0.00 3.02 -1.26 -4.98 115.26 105.21 1tzh n ASN 62 Ca 0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1tzh n ASN 62 Cb 0.23 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1tzh n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tzh n ASP 63 N -3.09 0.00 -0.69 6.41 -0.08 -1.26 -5.04 116.55 112.80 1tzh n ASP 63 Ca -0.11 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.23 1tzh n ASP 63 Cb 0.62 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.25 1tzh n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1tzh n GLU 64 N -0.06 1.86 0.00 -0.67 -0.58 -1.26 -2.87 120.64 117.06 1tzh n GLU 64 Ca 0.00 -1.34 0.13 0.00 -0.42 0.00 0.00 57.16 55.53 1tzh n GLU 64 Cb 0.00 -1.29 0.37 0.00 -0.57 0.00 0.00 31.44 29.95 1tzh n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tzh n GLY 65 N 1.09 -0.22 3.21 0.62 0.00 -1.26 -5.00 105.19 103.63 1tzh n GLY 65 Ca 0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1tzh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tzh s LEU 66 N -2.29 2.00 -0.06 0.99 1.43 -1.14 -3.67 118.68 115.93 1tzh s LEU 66 Ca 0.29 -1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 1tzh s LEU 66 Cb 0.20 0.08 0.05 0.00 0.03 0.00 0.00 46.19 46.54 1tzh s LEU 66 CO 0.45 -0.63 0.50 -1.83 0.23 0.00 0.00 176.35 175.07 1tzh s GLU 67 N -3.96 0.81 -0.27 1.70 -1.05 0.28 -4.82 118.70 111.39 1tzh s GLU 67 Ca 0.24 0.16 -0.24 0.00 -0.15 0.00 0.00 54.97 54.98 1tzh s GLU 67 Cb 0.07 0.38 -0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1tzh s GLU 67 CO 0.03 -0.22 0.82 0.00 0.95 0.00 0.00 175.26 176.83 1tzh s VAL 69 N 2.92 0.17 0.25 0.00 -7.23 -1.15 -4.98 120.40 110.38 1tzh s VAL 69 Ca 0.34 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1tzh s VAL 69 Cb -0.15 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 1tzh s VAL 69 CO 0.10 -0.75 1.00 -2.16 -0.31 0.00 0.00 175.10 172.97 1tzh s PRO 70 N -3.05 4.78 0.00 4.82 0.04 -1.26 -1.96 135.00 138.37 1tzh s PRO 70 Ca -0.01 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.68 1tzh s PRO 70 Cb 0.02 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1tzh s PRO 70 CO -0.07 0.41 0.39 0.25 0.04 0.00 0.00 177.00 178.02 1tzh n THR 71 N 1.40 0.00 -3.38 1.26 -2.24 -0.71 -4.93 114.28 105.68 1tzh n THR 71 Ca -0.02 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 1tzh n THR 71 Cb 0.46 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 1tzh n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tzh s GLU 72 N -1.00 0.44 0.37 -0.78 2.12 -1.21 -4.95 118.70 113.69 1tzh s GLU 72 Ca 0.04 0.88 0.08 0.00 0.36 0.00 0.00 54.97 56.33 1tzh s GLU 72 Cb 0.04 0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 1tzh s GLU 72 CO 0.13 -0.51 0.13 -1.21 -0.54 0.00 0.00 175.26 173.27 1tzh s GLU 73 N 2.70 2.26 -0.28 4.30 2.02 -1.26 0.29 118.70 128.73 1tzh s GLU 73 Ca 0.11 -1.70 -0.26 0.00 0.02 0.00 0.00 54.97 53.13 1tzh s GLU 73 Cb -0.14 -2.05 0.15 0.00 0.10 0.00 0.00 34.13 32.18 1tzh s GLU 73 CO -0.17 0.02 1.18 0.45 0.02 0.00 0.00 175.26 176.76 1tzh s SER 74 N -3.85 -0.29 0.15 -0.19 0.15 -0.45 -4.85 113.70 104.37 1tzh s SER 74 Ca 0.39 0.53 -0.09 0.00 0.70 0.00 0.00 55.95 57.48 1tzh s SER 74 Cb 0.00 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1tzh s SER 74 CO 0.22 -0.12 0.46 0.20 1.20 0.00 0.00 173.24 175.20 1tzh s ASN 75 N -0.02 6.63 -0.01 5.45 -0.87 -1.26 -0.36 114.94 124.50 1tzh s ASN 75 Ca 0.04 0.82 0.04 0.00 -1.57 0.00 0.00 52.86 52.20 1tzh s ASN 75 Cb -0.04 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.25 38.99 1tzh s ASN 75 CO -0.09 0.07 -0.13 -0.51 -2.57 0.00 0.00 177.10 173.87 1tzh s ILE 76 N -1.58 1.04 -0.15 0.60 2.07 -0.67 -4.95 121.20 117.56 1tzh s ILE 76 Ca 0.40 -0.60 -0.07 0.00 -1.41 0.00 0.00 60.65 58.97 1tzh s ILE 76 Cb -0.13 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1tzh s ILE 76 CO 0.21 0.27 0.10 -0.89 -1.91 0.00 0.00 174.94 172.71 1tzh s THR 77 N -0.36 5.14 0.15 4.00 2.01 -1.26 -1.17 115.64 124.15 1tzh s THR 77 Ca 0.05 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1tzh s THR 77 Cb -0.05 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1tzh s THR 77 CO -0.00 0.54 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.27 1tzh s MET 78 N -0.33 1.15 -0.34 4.92 1.00 -0.73 -4.96 119.30 120.02 1tzh s MET 78 Ca 0.10 -1.35 -0.22 0.00 0.00 0.00 0.00 55.69 54.23 1tzh s MET 78 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 34.83 33.63 1tzh s MET 78 CO 0.01 0.21 0.70 -0.65 0.00 0.00 0.00 175.02 175.29 1tzh s GLN 79 N -2.85 3.80 -0.04 2.03 -0.21 -1.26 -1.00 119.66 120.13 1tzh s GLN 79 Ca 0.13 0.27 0.05 0.00 0.02 0.00 0.00 55.36 55.83 1tzh s GLN 79 Cb -0.05 -3.78 -0.02 0.00 1.00 0.00 0.00 33.01 30.17 1tzh s GLN 79 CO 0.05 -0.72 -0.18 0.42 -2.12 0.00 0.00 175.29 172.74 1tzh s ILE 80 N 2.83 2.74 -0.35 1.08 -1.09 0.06 -4.92 121.20 121.56 1tzh s ILE 80 Ca 0.28 -0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 57.61 1tzh s ILE 80 Cb -0.14 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1tzh s ILE 80 CO 0.14 0.59 0.87 -0.32 -1.23 0.00 0.00 174.94 174.98 1tzh s MET 81 N -0.65 3.86 -0.47 2.79 1.75 -0.74 -1.37 119.30 124.47 1tzh s MET 81 Ca 0.10 0.55 -0.13 0.00 -1.25 0.00 0.00 55.69 54.96 1tzh s MET 81 Cb -0.11 -3.78 0.10 0.00 2.84 0.00 0.00 34.83 33.88 1tzh s MET 81 CO 0.00 -0.85 0.37 1.03 -0.65 0.00 0.00 175.02 174.92 1tzh s ARG 82 N 3.26 2.78 -0.17 4.11 0.52 -0.11 -1.67 118.95 127.68 1tzh s ARG 82 Ca 0.35 -1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 53.80 1tzh s ARG 82 Cb -0.13 -4.03 -0.02 0.00 0.52 0.00 0.00 34.95 31.29 1tzh s ARG 82 CO 0.16 -1.10 0.70 0.42 0.02 0.00 0.00 175.30 175.50 1tzh s ILE 83 N 1.52 4.98 -0.48 1.52 1.01 -0.07 -2.07 121.20 127.61 1tzh s ILE 83 Ca 0.04 1.36 -0.18 0.00 0.00 0.00 0.00 60.65 61.86 1tzh s ILE 83 Cb -0.26 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.25 1tzh s ILE 83 CO 0.03 0.11 0.57 -0.54 0.00 0.00 0.00 174.94 175.11 1tzh s LYS 84 N 1.80 3.11 0.10 2.79 1.02 0.19 -0.92 119.74 127.83 1tzh s LYS 84 Ca 0.33 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 55.13 1tzh s LYS 84 Cb -0.16 -4.08 -0.15 0.00 -0.52 0.00 0.00 37.83 32.92 1tzh s LYS 84 CO 0.12 -1.13 0.62 -2.30 -0.92 0.00 0.00 175.35 171.74 1tzh n PRO 85 N 5.95 0.00 -2.88 -1.68 -0.02 -1.26 -2.02 135.00 133.08 1tzh n PRO 85 Ca -0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.25 1tzh n PRO 85 Cb 0.46 -1.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.49 -1.65 0.08 6.00 8.25 -1.26 -4.66 115.22 122.47 1tzh n HIS 86 Ca 0.16 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1tzh n HIS 86 Cb 0.16 -2.64 0.00 0.00 1.12 0.00 0.00 29.99 28.63 1tzh n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1tzh n GLN 87 N -3.20 0.00 -3.83 -0.41 7.27 -0.86 -5.19 117.38 111.16 1tzh n GLN 87 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1tzh n GLN 87 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 1tzh n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tzh n GLY 88 N 1.09 -2.08 3.26 1.69 0.00 -0.94 -5.04 105.19 103.17 1tzh n GLY 88 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.85 0.56 -0.02 1.61 -2.07 -1.26 -0.64 119.66 115.98 1tzh s GLN 89 Ca 0.00 0.19 -0.11 0.00 -1.82 0.00 0.00 55.36 53.62 1tzh s GLN 89 Cb 0.00 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 1tzh s GLN 89 CO 0.00 -0.12 0.24 -1.58 -1.32 0.00 0.00 175.29 172.51 1tzh s HIS 90 N -0.54 -0.12 0.56 9.60 2.46 -0.88 -4.98 115.29 121.39 1tzh s HIS 90 Ca -0.07 0.20 -0.18 0.00 0.47 0.00 0.00 55.06 55.48 1tzh s HIS 90 Cb -0.04 0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.41 1tzh s HIS 90 CO 0.03 -0.31 1.09 -1.50 -2.47 0.00 0.00 174.74 171.58 1tzh s ILE 91 N -1.08 3.44 -0.02 0.89 2.07 -1.26 -0.94 121.20 124.30 1tzh s ILE 91 Ca -0.12 0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 59.65 1tzh s ILE 91 Cb -0.05 -3.31 0.08 0.00 0.13 0.00 0.00 42.46 39.31 1tzh s ILE 91 CO 0.03 -0.27 0.74 -0.83 -1.91 0.00 0.00 174.94 172.69 1tzh s GLY 92 N -2.14 -0.52 0.28 1.50 0.00 -0.47 -4.86 107.32 101.10 1tzh s GLY 92 Ca 0.69 1.23 -0.18 0.00 0.00 0.00 0.00 44.72 46.46 1tzh s GLY 92 CO 0.30 0.73 0.75 -0.54 0.00 0.00 0.00 173.10 174.34 1tzh s GLU 93 N -1.93 4.17 -0.08 2.90 2.02 -1.26 -0.76 118.70 123.76 1tzh s GLU 93 Ca -0.05 0.83 -0.03 0.00 0.02 0.00 0.00 54.97 55.73 1tzh s GLU 93 Cb -0.00 -2.65 0.04 0.00 0.10 0.00 0.00 34.13 31.62 1tzh s GLU 93 CO 0.02 0.27 0.17 -1.64 0.02 0.00 0.00 175.26 174.09 1tzh s MET 94 N -2.46 0.12 0.13 1.61 -1.94 -0.17 -4.89 119.30 111.70 1tzh s MET 94 Ca 0.49 0.42 -0.19 0.00 -1.71 0.00 0.00 55.69 54.70 1tzh s MET 94 Cb -0.14 -0.17 -0.07 0.00 2.01 0.00 0.00 34.83 36.46 1tzh s MET 94 CO 0.19 -0.17 0.63 0.45 -0.01 0.00 0.00 175.02 176.11 1tzh s SER 95 N 1.26 7.07 0.06 3.03 0.15 -1.26 -1.77 113.70 122.24 1tzh s SER 95 Ca -0.09 1.33 0.03 0.00 0.70 0.00 0.00 55.95 57.93 1tzh s SER 95 Cb -0.11 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1tzh s SER 95 CO -0.07 0.18 -0.10 -0.36 1.20 0.00 0.00 173.24 174.09 1tzh s PHE 96 N -1.27 0.92 0.29 3.44 0.08 -0.32 -4.99 117.98 116.13 1tzh s PHE 96 Ca 0.35 -0.51 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 1tzh s PHE 96 Cb -0.19 -0.53 -0.09 0.00 -0.57 0.00 0.00 43.02 41.64 1tzh s PHE 96 CO 0.21 -0.02 0.97 -1.17 -0.10 0.00 0.00 175.22 175.10 1tzh s LEU 97 N -1.76 4.47 0.03 -0.37 2.96 -1.26 -1.67 118.68 121.09 1tzh s LEU 97 Ca -0.05 1.95 0.06 0.00 -0.22 0.00 0.00 54.13 55.87 1tzh s LEU 97 Cb -0.09 -3.83 -0.02 0.00 0.50 0.00 0.00 46.19 42.75 1tzh s LEU 97 CO 0.01 -0.02 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.73 1tzh s GLN 98 N -1.68 1.29 -0.26 1.98 -0.21 0.51 -4.89 119.66 116.40 1tzh s GLN 98 Ca 0.47 -0.84 -0.14 0.00 0.02 0.00 0.00 55.36 54.87 1tzh s GLN 98 Cb -0.23 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 1tzh s GLN 98 CO 0.29 0.35 0.32 -1.01 -2.12 0.00 0.00 175.29 173.12 1tzh s HIS 99 N -0.74 3.26 -0.18 0.91 3.76 -0.36 -1.34 115.29 120.60 1tzh s HIS 99 Ca 0.06 0.35 0.09 0.00 -0.15 0.00 0.00 55.06 55.42 1tzh s HIS 99 Cb -0.08 -2.50 -0.23 0.00 1.11 0.00 0.00 32.58 30.88 1tzh s HIS 99 CO 0.01 -0.16 0.14 0.09 -0.85 0.00 0.00 174.74 173.97 1tzh n ASN 100 N 5.08 0.99 -3.77 1.40 5.03 0.14 -4.30 115.26 119.84 1tzh n ASN 100 Ca -0.10 0.07 -0.14 0.00 0.87 0.00 0.00 54.58 55.27 1tzh n ASN 100 Cb 0.51 0.16 -0.15 0.00 -1.02 0.00 0.00 39.78 39.28 1tzh n ASN 100 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1tzh s LYS 101 N -2.53 0.02 -0.03 3.52 1.02 -1.15 -4.89 119.74 115.70 1tzh s LYS 101 Ca -0.18 0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.13 1tzh s LYS 101 Cb 0.07 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.17 1tzh s LYS 101 CO 0.76 -0.15 -0.21 0.00 -0.92 0.00 0.00 175.35 174.82 1tzh s GLU 103 N -0.64 0.73 -0.49 0.00 2.02 -0.83 -4.78 118.70 114.73 1tzh s GLU 103 Ca 0.10 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 53.82 1tzh s GLU 103 Cb -0.10 0.28 0.05 0.00 0.10 0.00 0.00 34.13 34.46 1tzh s GLU 103 CO -0.00 -0.19 0.61 0.00 0.02 0.00 0.00 175.26 175.69 1tzh s ARG 105 N 2.61 1.74 0.00 0.00 3.00 -0.73 -4.77 118.95 120.79 1tzh s ARG 105 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 55.73 54.22 1tzh s ARG 105 Cb -0.18 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 32.92 1tzh s ARG 105 CO 0.13 0.35 0.00 -0.35 0.00 0.00 0.00 175.30 175.43 1tzh n PRO 106 N -0.47 2.37 0.00 3.54 -0.04 -1.24 0.10 135.00 139.25 1tzh n PRO 106 Ca -0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1tzh n PRO 106 Cb 0.59 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.55 1tzh n PRO 106 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63