#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xai s VAL 3 N 0.00 0.00 -0.15 2.53 1.01 0.26 -4.67 120.40 119.38 2xai s VAL 3 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2xai s VAL 3 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2xai s VAL 3 CO 0.00 -0.02 -0.19 -0.36 0.00 0.00 0.00 175.10 174.52 2xai s PHE 4 N 0.01 2.73 0.27 5.22 0.08 -0.26 -0.37 117.98 125.66 2xai s PHE 4 Ca -0.01 -1.31 0.12 0.00 0.12 0.00 0.00 56.93 55.85 2xai s PHE 4 Cb -0.02 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2xai s PHE 4 CO 0.00 -0.61 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.81 2xai s LEU 5 N 0.92 2.58 -0.30 -0.37 1.02 0.22 -2.59 118.68 120.15 2xai s LEU 5 Ca -0.04 -1.02 0.01 0.00 0.02 0.00 0.00 54.13 53.09 2xai s LEU 5 Cb -0.15 -1.07 0.07 0.00 0.02 0.00 0.00 46.19 45.06 2xai s LEU 5 CO -0.03 0.03 -0.01 -0.04 0.02 0.00 0.00 176.35 176.31 2xai s MET 6 N -3.48 2.17 -0.31 1.70 -1.94 0.18 -2.16 119.30 115.45 2xai s MET 6 Ca 0.29 -1.45 -0.18 0.00 -1.71 0.00 0.00 55.69 52.63 2xai s MET 6 Cb -0.05 -3.12 -0.01 0.00 2.01 0.00 0.00 34.83 33.65 2xai s MET 6 CO 0.14 -0.70 0.54 0.42 -0.01 0.00 0.00 175.02 175.41 2xai s ILE 7 N 1.13 5.01 -0.01 2.53 1.01 0.70 -0.64 121.20 130.94 2xai s ILE 7 Ca -0.03 0.65 0.06 0.00 0.00 0.00 0.00 60.65 61.34 2xai s ILE 7 Cb -0.20 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2xai s ILE 7 CO -0.04 -0.09 -0.20 -0.13 0.00 0.00 0.00 174.94 174.47 2xai s ARG 8 N 2.42 1.60 -0.28 2.79 0.52 0.58 -0.51 118.95 126.07 2xai s ARG 8 Ca 0.21 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.50 2xai s ARG 8 Cb -0.15 -1.57 0.09 0.00 0.52 0.00 0.00 34.95 33.84 2xai s ARG 8 CO 0.12 0.43 0.75 1.03 0.02 0.00 0.00 175.30 177.64 2xai s ARG 9 N -0.58 0.66 4.77 3.54 3.00 -0.92 -4.91 118.95 124.51 2xai s ARG 9 Ca 0.08 1.10 0.00 0.00 0.00 0.00 0.00 55.73 56.91 2xai s ARG 9 Cb -0.08 0.15 0.00 0.00 0.00 0.00 0.00 34.95 35.02 2xai s ARG 9 CO -0.00 -0.13 0.00 -2.39 0.00 0.00 0.00 175.30 172.77 2xai n HIS 10 N 4.07 0.00 -1.39 -0.53 -0.00 -1.26 -0.95 115.22 115.16 2xai n HIS 10 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.40 2xai n HIS 10 Cb 0.58 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.76 2xai n HIS 10 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2xai n LYS 11 N 14.00 2.03 -4.37 -1.40 5.02 -1.26 -1.24 118.16 130.95 2xai n LYS 11 Ca 0.00 -3.15 -0.28 0.00 -2.02 0.00 0.00 58.31 52.86 2xai n LYS 11 Cb 0.00 -1.97 -0.13 0.00 -0.02 0.00 0.00 35.03 32.91 2xai n LYS 11 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2xai s THR 12 N -3.34 2.14 -0.14 -0.18 -4.23 -0.13 -5.09 115.64 104.68 2xai s THR 12 Ca 0.50 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2xai s THR 12 Cb 0.44 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 72.43 2xai s THR 12 CO 0.04 0.04 0.29 -0.89 -0.54 0.00 0.00 174.62 173.55 2xai s THR 13 N -1.14 -0.40 -0.21 3.99 2.01 -1.26 -2.16 115.64 116.46 2xai s THR 13 Ca 0.13 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 2xai s THR 13 Cb -0.10 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2xai s THR 13 CO 0.06 0.10 0.06 -0.63 -0.69 0.00 0.00 174.62 173.52 2xai s ILE 14 N 2.31 4.51 -0.37 1.82 1.01 0.33 -4.91 121.20 125.89 2xai s ILE 14 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2xai s ILE 14 Cb -0.12 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2xai s ILE 14 CO -0.09 0.40 0.34 -0.36 0.00 0.00 0.00 174.94 175.23 2xai s PHE 15 N 0.96 3.21 0.08 3.97 0.08 -1.26 -0.21 117.98 124.80 2xai s PHE 15 Ca 0.04 -0.25 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 2xai s PHE 15 Cb -0.14 -2.67 -0.00 0.00 -0.57 0.00 0.00 43.02 39.64 2xai s PHE 15 CO 0.03 -0.51 0.18 -0.08 -0.10 0.00 0.00 175.22 174.73 2xai s THR 16 N 1.92 0.14 0.42 0.64 -1.32 -0.92 -5.01 115.64 111.51 2xai s THR 16 Ca 0.09 -1.17 0.07 0.00 -1.21 0.00 0.00 61.69 59.48 2xai s THR 16 Cb -0.17 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 2xai s THR 16 CO 0.12 -0.64 0.31 1.51 -2.21 0.00 0.00 174.62 173.70 2xai s ASP 17 N -2.72 4.81 0.00 8.08 1.47 -1.26 0.69 116.67 127.74 2xai s ASP 17 Ca 0.03 -0.88 -0.30 0.00 1.18 0.00 0.00 52.55 52.58 2xai s ASP 17 Cb 0.04 -0.51 0.11 0.00 -0.34 0.00 0.00 42.92 42.22 2xai s ASP 17 CO -0.10 -0.63 1.19 0.00 0.68 0.00 0.00 175.17 176.32 2xai s ALA 18 N -2.53 -2.07 0.00 2.11 0.00 0.50 -4.95 121.76 114.83 2xai s ALA 18 Ca 0.45 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2xai s ALA 18 Cb -0.01 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2xai s ALA 18 CO 0.26 -0.98 0.00 1.63 0.00 0.00 0.00 175.76 176.67 2xai n LYS 19 N -0.43 0.00 0.00 0.00 4.76 -1.26 -0.57 118.16 120.66 2xai n LYS 19 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2xai n LYS 19 Cb 0.62 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 2xai n LYS 19 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2xai n SER 22 N 0.00 0.00 -4.79 4.39 3.41 -1.26 -4.91 113.62 110.46 2xai n SER 22 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 2xai n SER 22 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2xai n SER 22 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2xai s THR 23 N -2.88 4.34 0.52 6.66 -4.23 -1.26 -4.99 115.64 113.79 2xai s THR 23 Ca 0.00 -1.36 0.35 0.00 -1.18 0.00 0.00 61.69 59.50 2xai s THR 23 Cb 0.00 -3.30 0.55 0.00 1.34 0.00 0.00 72.50 71.09 2xai s THR 23 CO 0.00 -0.28 1.78 0.58 -0.54 0.00 0.00 174.62 176.16 2xai h VAL 24 N 1.72 0.38 -0.02 2.29 2.07 -2.00 -2.00 116.25 118.69 2xai h VAL 24 Ca -0.48 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2xai h VAL 24 Cb 1.23 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2xai h VAL 24 CO 0.61 0.01 -0.20 -0.26 0.02 0.00 0.00 177.57 177.75 2xai h PHE 25 N 0.05 0.24 0.00 1.57 -1.00 -2.01 -3.10 116.94 112.69 2xai h PHE 25 Ca 0.61 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 61.27 2xai h PHE 25 Cb 2.31 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.84 2xai h PHE 25 CO -0.00 0.87 0.00 0.93 -1.61 0.00 0.00 178.31 178.50 2xai h GLU 26 N -0.46 0.00 -0.01 1.51 5.08 -1.77 -1.11 114.58 117.81 2xai h GLU 26 Ca -0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 2xai h GLU 26 Cb 0.92 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.18 2xai h GLU 26 CO 0.04 0.00 -1.01 -0.07 -1.00 0.00 0.00 179.01 176.97 2xai h LEU 27 N 0.00 0.87 -2.44 1.33 -0.00 -1.48 -2.98 115.31 110.61 2xai h LEU 27 Ca 0.00 -0.68 0.02 0.00 -0.00 0.00 0.00 57.88 57.21 2xai h LEU 27 Cb 0.23 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2xai h LEU 27 CO 0.00 1.49 0.07 0.07 -0.00 0.00 0.00 178.44 180.07 2xai h LYS 28 N 0.39 0.00 -0.25 1.13 -0.00 -1.13 -1.13 116.57 115.59 2xai h LYS 28 Ca -0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.34 2xai h LYS 28 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.89 2xai h LYS 28 CO 0.20 0.00 -0.59 0.07 -0.00 0.00 0.00 179.45 179.12 2xai h ARG 29 N 0.00 0.82 -0.53 0.07 0.11 -1.39 -1.35 114.38 112.10 2xai h ARG 29 Ca 0.03 -0.54 -0.12 0.00 0.10 0.00 0.00 59.98 59.45 2xai h ARG 29 Cb 0.18 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 2xai h ARG 29 CO -0.00 1.17 -0.12 0.82 0.10 0.00 0.00 179.97 181.94 2xai h ILE 30 N 0.61 1.27 0.01 0.08 1.08 -1.15 -0.70 117.51 118.71 2xai h ILE 30 Ca 0.00 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 2xai h ILE 30 Cb 1.20 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2xai h ILE 30 CO 0.13 0.45 -0.01 0.58 -0.69 0.00 0.00 178.15 178.61 2xai h VAL 31 N 0.90 1.01 -0.75 1.67 2.07 -1.42 -2.67 116.25 117.06 2xai h VAL 31 Ca 0.14 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.76 2xai h VAL 31 Cb 0.68 1.06 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 2xai h VAL 31 CO 0.05 0.02 -0.05 -0.33 0.02 0.00 0.00 177.57 177.27 2xai h GLU 32 N -0.04 0.06 -0.98 1.57 3.07 -0.85 0.42 114.58 117.84 2xai h GLU 32 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2xai h GLU 32 Cb 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2xai h GLU 32 CO 0.00 0.04 0.00 0.41 -1.40 0.00 0.00 179.01 178.06 2xai n GLY 33 N -1.44 1.45 1.97 -3.84 0.00 -0.30 -1.32 105.19 101.71 2xai n GLY 33 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2xai n GLY 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2xai n ILE 34 N 0.29 0.01 1.69 -0.61 -0.00 0.12 -4.89 119.36 115.97 2xai n ILE 34 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 62.75 62.91 2xai n ILE 34 Cb 0.30 -0.18 0.84 0.00 -0.00 0.00 0.00 39.64 40.60 2xai n ILE 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2xai n LEU 35 N -2.80 0.03 -3.38 7.28 -0.00 0.30 -4.95 117.00 113.48 2xai n LEU 35 Ca 0.00 0.14 -0.17 0.00 -0.00 0.00 0.00 56.01 55.97 2xai n LEU 35 Cb 0.00 -0.15 0.04 0.00 -0.00 0.00 0.00 43.42 43.31 2xai n LEU 35 CO 0.00 0.00 0.05 2.29 -0.00 0.00 0.00 177.39 179.74 2xai n LYS 36 N -1.13 -1.67 -3.92 1.47 0.00 -0.43 -5.01 118.16 107.48 2xai n LYS 36 Ca 0.19 0.88 -0.11 0.00 -0.00 0.00 0.00 58.31 59.27 2xai n LYS 36 Cb 0.18 -5.05 -0.13 0.00 -0.00 0.00 0.00 35.03 30.03 2xai n LYS 36 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2xai s ARG 37 N -4.60 0.12 0.41 -1.58 1.04 -1.25 -5.04 118.95 108.05 2xai s ARG 37 Ca 0.33 -0.21 -0.23 0.00 -1.04 0.00 0.00 55.73 54.58 2xai s ARG 37 Cb -0.08 0.02 -0.10 0.00 -2.04 0.00 0.00 34.95 32.76 2xai s ARG 37 CO 0.79 -0.01 1.00 -1.25 -0.04 0.00 0.00 175.30 175.79 2xai s PRO 38 N -0.50 4.20 0.46 3.89 0.04 -1.26 -3.95 135.00 137.88 2xai s PRO 38 Ca -0.05 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 2xai s PRO 38 Cb -0.03 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 2xai s PRO 38 CO -0.00 -0.08 0.81 -2.30 0.04 0.00 0.00 177.00 175.46 2xai n PRO 39 N -0.24 0.95 -3.15 0.56 -0.02 -1.26 -5.03 135.00 126.81 2xai n PRO 39 Ca 0.06 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2xai n PRO 39 Cb 0.51 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 2xai n PRO 39 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2xai s LYS 46 N -1.99 0.20 5.11 -0.52 -0.14 -0.89 -5.10 119.74 116.40 2xai s LYS 46 Ca 0.66 0.33 0.00 0.00 -1.36 0.00 0.00 55.97 55.60 2xai s LYS 46 Cb -0.54 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 35.79 2xai s LYS 46 CO 0.55 -0.23 0.00 -0.25 -0.76 0.00 0.00 175.35 174.66 2xai n ASP 47 N 5.44 0.00 -2.01 2.83 8.00 -1.26 -1.80 116.55 127.74 2xai n ASP 47 Ca -0.05 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.20 2xai n ASP 47 Cb 0.54 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.68 2xai n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2xai n ASP 48 N 9.26 5.25 -2.54 -2.24 8.00 -1.26 -5.05 116.55 127.97 2xai n ASP 48 Ca 0.00 -3.76 -0.10 0.00 0.71 0.00 0.00 54.79 51.64 2xai n ASP 48 Cb 0.00 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 2xai n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xai n GLN 49 N -0.77 1.02 -1.88 -1.24 -0.00 -0.75 -5.36 117.38 108.41 2xai n GLN 49 Ca 0.46 -1.30 -0.14 0.00 -0.00 0.00 0.00 57.00 56.02 2xai n GLN 49 Cb 0.91 0.60 0.06 0.00 -0.00 0.00 0.00 30.24 31.81 2xai n GLN 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2xai n LEU 50 N 0.00 3.84 0.00 2.61 7.99 -1.26 -2.09 117.00 128.09 2xai n LEU 50 Ca -0.04 -4.21 0.00 0.00 -0.01 0.00 0.00 56.01 51.75 2xai n LEU 50 Cb 0.23 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2xai n LEU 50 CO 0.12 1.75 0.00 0.49 -1.51 0.00 0.00 177.39 178.24 2xai n PHE 62 N -0.71 0.00 -3.57 -1.77 3.72 -1.26 -4.87 117.46 109.00 2xai n PHE 62 Ca 0.32 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.48 2xai n PHE 62 Cb 0.90 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.47 2xai n PHE 62 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2xai s THR 63 N 0.00 1.75 0.20 4.37 2.01 -1.26 -4.89 115.64 117.81 2xai s THR 63 Ca 0.00 -1.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 2xai s THR 63 Cb 0.00 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2xai s THR 63 CO 0.00 0.00 1.53 0.77 -0.69 0.00 0.00 174.62 176.23 2xai h SER 64 N 0.48 0.67 0.00 3.53 4.64 -1.87 -0.67 113.55 120.34 2xai h SER 64 Ca -0.33 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2xai h SER 64 Cb 1.30 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2xai h SER 64 CO 0.50 1.03 0.00 0.00 -0.87 0.00 0.00 176.83 177.50 2xai n GLN 65 N -4.00 0.95 0.00 4.77 1.13 -1.26 -4.09 117.38 114.87 2xai n GLN 65 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2xai n GLN 65 Cb 0.56 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.62 2xai n GLN 65 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2xai n THR 66 N -0.79 0.00 -3.66 5.09 -2.24 -1.07 -4.92 114.28 106.69 2xai n THR 66 Ca 0.13 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.64 2xai n THR 66 Cb 0.06 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 2xai n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xai n ALA 67 N -1.52 3.17 -2.63 6.98 0.00 -0.28 -4.35 120.51 121.89 2xai n ALA 67 Ca 0.00 -3.88 -0.21 0.00 0.00 0.00 0.00 53.44 49.35 2xai n ALA 67 Cb 0.27 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2xai n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2xai s ARG 68 N -0.78 3.29 0.18 0.00 0.52 -0.86 -1.10 118.95 120.20 2xai s ARG 68 Ca 0.29 -0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 2xai s ARG 68 Cb -0.00 -2.75 0.17 0.00 0.52 0.00 0.00 34.95 32.89 2xai s ARG 68 CO -0.18 0.12 1.70 -1.35 0.02 0.00 0.00 175.30 175.60 2xai h PRO 69 N 0.84 0.15 -0.00 3.54 0.11 -1.95 -1.32 132.00 133.37 2xai h PRO 69 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2xai h PRO 69 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2xai h PRO 69 CO 0.58 0.10 -0.05 0.00 -0.21 0.00 0.00 178.00 178.42 2xai n GLN 70 N -5.18 0.31 -3.02 1.05 0.00 -1.26 -4.24 117.38 105.03 2xai n GLN 70 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 57.00 56.86 2xai n GLN 70 Cb 0.25 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 2xai n GLN 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2xai n ALA 71 N -1.31 0.35 -1.77 2.61 0.00 -0.59 -5.15 120.51 114.65 2xai n ALA 71 Ca 0.11 -2.11 -0.40 0.00 0.00 0.00 0.00 53.44 51.05 2xai n ALA 71 Cb 0.28 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2xai n ALA 71 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2xai s PRO 72 N 0.28 4.37 0.31 0.00 0.02 -0.65 -2.03 135.00 137.31 2xai s PRO 72 Ca 0.32 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 63.14 2xai s PRO 72 Cb 0.08 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.46 2xai s PRO 72 CO -0.14 -0.11 0.91 0.00 -0.33 0.00 0.00 177.00 177.33 2xai s ALA 73 N -1.19 3.24 -0.12 -1.55 0.00 -1.07 -4.66 121.76 116.41 2xai s ALA 73 Ca 0.49 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 2xai s ALA 73 Cb -0.36 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2xai s ALA 73 CO 0.48 0.20 0.41 0.99 0.00 0.00 0.00 175.76 177.83 2xai s THR 74 N -1.60 5.21 -0.13 0.00 2.01 -1.26 -0.65 115.64 119.22 2xai s THR 74 Ca 0.49 0.81 0.13 0.00 0.31 0.00 0.00 61.69 63.43 2xai s THR 74 Cb -0.18 -3.75 0.23 0.00 0.01 0.00 0.00 72.50 68.81 2xai s THR 74 CO 0.23 0.37 1.14 0.52 -0.69 0.00 0.00 174.62 176.19 2xai n VAL 75 N 3.48 1.65 0.00 3.82 0.31 0.18 -4.57 118.33 123.20 2xai n VAL 75 Ca -0.09 -1.84 0.00 0.00 -0.01 0.00 0.00 64.34 62.40 2xai n VAL 75 Cb 0.52 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2xai n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2xai n GLU 91 N -1.03 0.00 -0.81 5.55 -0.58 -0.37 -0.31 120.64 123.10 2xai n GLU 91 Ca 0.12 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.55 2xai n GLU 91 Cb 0.55 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.57 2xai n GLU 91 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2xai s PRO 92 N 0.00 1.14 0.69 3.49 0.02 -1.26 -4.90 135.00 134.19 2xai s PRO 92 Ca 0.00 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.37 2xai s PRO 92 Cb 0.00 -1.75 0.05 0.00 0.02 0.00 0.00 34.50 32.82 2xai s PRO 92 CO 0.00 -2.50 1.01 -0.06 -0.33 0.00 0.00 177.00 175.12 2xai s PHE 93 N -2.69 2.97 0.70 6.54 0.08 -1.26 -5.04 117.98 119.27 2xai s PHE 93 Ca 0.66 0.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.04 2xai s PHE 93 Cb -0.22 -3.15 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 2xai s PHE 93 CO 0.58 -1.35 0.83 -1.13 -0.10 0.00 0.00 175.22 174.06 2xai n SER 94 N -2.90 0.01 -4.65 1.36 3.41 -1.26 -4.98 113.62 104.61 2xai n SER 94 Ca 0.08 0.67 -0.38 0.00 -0.26 0.00 0.00 58.87 58.97 2xai n SER 94 Cb 0.60 -1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 2xai n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2xai s SER 95 N -1.52 6.33 0.64 4.04 0.15 -1.26 -5.06 113.70 117.01 2xai s SER 95 Ca 0.72 0.38 -0.18 0.00 0.70 0.00 0.00 55.95 57.56 2xai s SER 95 Cb -0.36 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2xai s SER 95 CO 0.52 -0.07 1.30 -2.84 1.20 0.00 0.00 173.24 173.35 2xai s PRO 96 N 1.42 2.59 0.98 5.44 0.02 -1.26 -4.99 135.00 139.19 2xai s PRO 96 Ca 0.16 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.15 2xai s PRO 96 Cb -0.15 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.67 2xai s PRO 96 CO 0.08 -1.58 1.09 -2.14 -0.33 0.00 0.00 177.00 174.11 2xai s PRO 97 N -3.34 0.59 0.30 5.54 0.02 -1.26 -4.95 135.00 131.91 2xai s PRO 97 Ca 0.82 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 2xai s PRO 97 Cb -0.38 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.29 2xai s PRO 97 CO 0.41 -2.67 1.47 -1.21 -0.33 0.00 0.00 177.00 174.67 2xai s GLU 98 N -4.89 4.20 0.20 5.54 0.41 -1.26 -4.92 118.70 117.99 2xai s GLU 98 Ca 0.65 2.43 -0.33 0.00 -0.41 0.00 0.00 54.97 57.31 2xai s GLU 98 Cb -0.19 -3.05 -0.13 0.00 -1.78 0.00 0.00 34.13 28.98 2xai s GLU 98 CO 0.58 -0.47 1.58 -0.11 -0.49 0.00 0.00 175.26 176.35 2xai n LEU 99 N 1.61 3.42 -4.73 1.80 7.94 -1.26 -4.93 117.00 120.85 2xai n LEU 99 Ca 0.05 1.10 -0.39 0.00 -1.11 0.00 0.00 56.01 55.65 2xai n LEU 99 Cb 0.39 -1.48 0.04 0.00 0.53 0.00 0.00 43.42 42.91 2xai n LEU 99 CO 0.62 -0.18 0.93 -2.65 -1.11 0.00 0.00 177.39 175.00 2xai n PRO 100 N 3.14 1.69 -0.28 1.96 -0.02 -1.26 -4.90 135.00 135.34 2xai n PRO 100 Ca 0.15 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.22 2xai n PRO 100 Cb 0.31 -2.51 0.09 0.00 -0.02 0.00 0.00 33.50 31.38 2xai n PRO 100 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2xai h ASP 101 N 1.50 0.80 0.32 2.55 5.19 -1.98 -0.43 116.42 124.38 2xai h ASP 101 Ca -0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2xai h ASP 101 Cb 1.31 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.64 2xai h ASP 101 CO 0.57 0.55 0.00 1.33 -3.12 0.00 0.00 179.24 178.57 2xai n VAL 102 N -4.62 0.91 0.76 -1.35 0.24 -1.26 -2.15 118.33 110.85 2xai n VAL 102 Ca 0.09 0.23 0.09 0.00 -2.04 0.00 0.00 64.34 62.70 2xai n VAL 102 Cb 0.10 -1.02 0.04 0.00 -1.47 0.00 0.00 33.84 31.48 2xai n VAL 102 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2xai n MET 103 N -1.39 1.56 -1.83 7.34 2.81 -0.18 -4.96 117.12 120.47 2xai n MET 103 Ca 0.04 -1.24 -0.31 0.00 -1.81 0.00 0.00 57.70 54.39 2xai n MET 103 Cb 0.12 -1.33 0.02 0.00 -0.71 0.00 0.00 33.22 31.32 2xai n MET 103 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2xai s LYS 104 N -1.74 3.49 0.00 0.03 1.02 -0.92 -4.97 119.74 116.66 2xai s LYS 104 Ca 0.18 0.79 0.30 0.00 0.02 0.00 0.00 55.97 57.26 2xai s LYS 104 Cb 0.15 -2.07 1.47 0.00 -0.52 0.00 0.00 37.83 36.86 2xai s LYS 104 CO 0.32 -0.65 1.98 -2.30 -0.92 0.00 0.00 175.35 173.78