#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jys s PRO 9 N 0.00 2.20 0.90 -1.09 0.04 -1.26 -5.05 135.00 130.74 2jys s PRO 9 Ca 0.00 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 2jys s PRO 9 Cb 0.00 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.81 2jys s PRO 9 CO 0.00 -1.66 1.24 -0.51 0.04 0.00 0.00 177.00 176.11 2jys s LEU 10 N -5.92 2.72 -0.09 -3.56 1.02 0.34 -4.79 118.68 108.41 2jys s LEU 10 Ca 0.61 0.27 -0.03 0.00 0.02 0.00 0.00 54.13 55.00 2jys s LEU 10 Cb -0.17 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 2jys s LEU 10 CO 0.56 -2.44 0.05 -0.70 0.02 0.00 0.00 176.35 173.83 2jys s GLU 11 N -5.72 3.12 0.02 1.70 2.12 -1.26 -1.32 118.70 117.35 2jys s GLU 11 Ca 0.71 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.54 2jys s GLU 11 Cb -0.05 -2.91 0.03 0.00 0.26 0.00 0.00 34.13 31.45 2jys s GLU 11 CO 0.51 0.72 0.37 0.00 -0.54 0.00 0.00 175.26 176.32 2jys s ALA 12 N -0.94 -0.91 -0.15 6.30 0.00 -0.73 -2.75 121.76 122.57 2jys s ALA 12 Ca 0.14 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 2jys s ALA 12 Cb -0.12 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2jys s ALA 12 CO 0.03 -0.37 -0.06 -1.21 0.00 0.00 0.00 175.76 174.16 2jys s GLU 13 N -1.98 1.43 -0.16 0.00 2.02 -0.62 -0.37 118.70 119.02 2jys s GLU 13 Ca -0.09 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 2jys s GLU 13 Cb -0.02 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 2jys s GLU 13 CO 0.01 -0.39 -0.05 0.42 0.02 0.00 0.00 175.26 175.27 2jys s ILE 14 N 1.66 3.75 -1.99 -1.63 1.01 0.28 -0.21 121.20 124.06 2jys s ILE 14 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2jys s ILE 14 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2jys s ILE 14 CO -0.08 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.64 2jys n LYS 15 N 3.68 -1.51 -0.51 2.79 5.02 -1.25 0.14 118.16 126.53 2jys n LYS 15 Ca -0.17 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2jys n LYS 15 Cb 0.52 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 2jys n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jys n GLY 16 N -0.51 0.86 3.75 0.72 0.00 -1.26 -5.03 105.19 103.73 2jys n GLY 16 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -3.08 5.18 -0.21 2.61 2.01 0.12 -5.04 115.64 117.23 2jys s THR 17 Ca 0.00 0.81 -0.26 0.00 0.31 0.00 0.00 61.69 62.54 2jys s THR 17 Cb 0.00 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 2jys s THR 17 CO 0.00 0.41 0.90 -0.75 -0.69 0.00 0.00 174.62 174.49 2jys s LYS 18 N 0.13 4.25 0.06 4.92 2.20 -1.26 -0.56 119.74 129.48 2jys s LYS 18 Ca 0.23 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 2jys s LYS 18 Cb -0.15 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2jys s LYS 18 CO 0.09 -0.50 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.03 2jys s LEU 19 N 2.74 2.47 0.33 5.43 2.01 0.50 -4.98 118.68 127.18 2jys s LEU 19 Ca 0.39 -0.95 -0.21 0.00 0.01 0.00 0.00 54.13 53.38 2jys s LEU 19 Cb -0.16 0.08 -0.10 0.00 0.01 0.00 0.00 46.19 46.03 2jys s LEU 19 CO 0.09 -0.51 0.85 -0.54 1.01 0.00 0.00 176.35 177.25 2jys s LYS 20 N -3.61 4.30 0.11 1.70 1.02 -1.26 -1.77 119.74 120.23 2jys s LYS 20 Ca 0.06 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.11 2jys s LYS 20 Cb 0.05 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2jys s LYS 20 CO -0.07 0.20 -0.07 0.00 -0.92 0.00 0.00 175.35 174.49 2jys s ALA 21 N -1.82 1.08 -0.06 5.17 0.00 -0.44 -2.05 121.76 123.64 2jys s ALA 21 Ca 0.52 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2jys s ALA 21 Cb -0.14 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 2jys s ALA 21 CO 0.19 -0.20 -0.21 -1.01 0.00 0.00 0.00 175.76 174.53 2jys s HIS 22 N -3.51 2.09 -0.25 0.00 3.76 0.16 0.13 115.29 117.67 2jys s HIS 22 Ca 0.12 -0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 2jys s HIS 22 Cb 0.04 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2jys s HIS 22 CO -0.03 -0.24 0.38 -0.46 -0.85 0.00 0.00 174.74 173.54 2jys s TRP 23 N 0.07 3.29 -0.27 1.40 -0.00 -1.26 0.74 118.94 122.90 2jys s TRP 23 Ca -0.07 0.48 -0.01 0.00 -0.00 0.00 0.00 56.10 56.50 2jys s TRP 23 Cb -0.14 -2.55 0.08 0.00 -0.00 0.00 0.00 33.47 30.86 2jys s TRP 23 CO 0.04 -0.15 0.06 0.34 -0.00 0.00 0.00 176.95 177.24 2jys s ASP 24 N 1.43 3.78 0.46 5.86 2.15 -1.21 -4.94 116.67 124.20 2jys s ASP 24 Ca 0.16 -1.41 0.26 0.00 0.43 0.00 0.00 52.55 51.99 2jys s ASP 24 Cb -0.15 -0.88 1.40 0.00 -0.30 0.00 0.00 42.92 42.98 2jys s ASP 24 CO 0.09 -0.36 1.76 0.77 -0.17 0.00 0.00 175.17 177.26 2jys h SER 25 N 8.08 0.00 0.19 -0.34 4.64 -1.96 0.41 113.55 124.57 2jys h SER 25 Ca -0.14 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 2jys h SER 25 Cb 1.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2jys h SER 25 CO 0.43 0.00 -0.69 1.23 -0.87 0.00 0.00 176.83 176.93 2jys h GLY 26 N 0.00 0.50 -3.71 -0.77 0.00 -1.95 -3.44 103.07 93.70 2jys h GLY 26 Ca 0.00 -0.68 -0.51 0.00 0.00 0.00 0.00 47.33 46.14 2jys h GLY 26 CO 0.00 0.60 0.57 0.00 0.00 0.00 0.00 176.54 177.71 2jys s ALA 27 N -3.71 3.40 -1.83 3.60 0.00 0.13 -4.92 121.76 118.44 2jys s ALA 27 Ca -0.06 1.11 0.15 0.00 0.00 0.00 0.00 51.96 53.16 2jys s ALA 27 Cb 0.11 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2jys s ALA 27 CO 0.84 -0.49 0.96 0.25 0.00 0.00 0.00 175.76 177.32 2jys n THR 28 N 0.76 0.00 -3.90 0.00 -2.24 -1.26 -4.13 114.28 103.51 2jys n THR 28 Ca 0.01 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2jys n THR 28 Cb 0.43 1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 2jys n THR 28 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2jys s ILE 29 N -1.39 0.11 0.58 2.28 2.07 -1.26 -4.85 121.20 118.74 2jys s ILE 29 Ca 0.17 -0.89 -0.19 0.00 -1.41 0.00 0.00 60.65 58.33 2jys s ILE 29 Cb 0.13 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 2jys s ILE 29 CO 0.23 -0.49 1.20 -0.89 -1.91 0.00 0.00 174.94 173.07 2jys s THR 30 N -2.03 2.71 0.00 4.00 2.01 -1.10 -4.41 115.64 116.83 2jys s THR 30 Ca -0.10 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2jys s THR 30 Cb -0.04 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2jys s THR 30 CO -0.02 -0.09 -0.22 0.00 -0.69 0.00 0.00 174.62 173.60 2jys s VAL 32 N -0.62 0.05 0.07 0.00 1.01 0.11 -2.30 120.40 118.73 2jys s VAL 32 Ca 0.09 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2jys s VAL 32 Cb -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2jys s VAL 32 CO 0.00 -0.24 1.05 -2.16 0.00 0.00 0.00 175.10 173.75 2jys s PRO 33 N -0.81 4.57 0.58 2.72 0.04 -1.25 -1.06 135.00 139.79 2jys s PRO 33 Ca -0.09 1.57 0.40 0.00 0.04 0.00 0.00 61.00 62.92 2jys s PRO 33 Cb -0.05 -3.38 1.42 0.00 0.04 0.00 0.00 34.50 32.53 2jys s PRO 33 CO 0.01 -0.02 1.52 1.49 0.04 0.00 0.00 177.00 180.04 2jys h GLU 34 N 6.21 0.00 -0.86 4.56 4.81 -1.82 1.05 114.58 128.54 2jys h GLU 34 Ca -0.42 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.05 2jys h GLU 34 Cb 1.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2jys h GLU 34 CO 0.75 0.00 0.61 0.00 -0.73 0.00 0.00 179.01 179.65 2jys h ALA 35 N 0.90 2.79 -0.05 2.92 0.00 -1.90 1.04 119.26 124.96 2jys h ALA 35 Ca 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2jys h ALA 35 Cb 3.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 21.05 2jys h ALA 35 CO -0.01 -1.03 0.00 1.19 0.00 0.00 0.00 179.25 179.40 2jys n PHE 36 N -4.29 0.03 0.35 0.00 3.01 0.36 -4.09 117.46 112.84 2jys n PHE 36 Ca 0.18 -0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.66 2jys n PHE 36 Cb 0.91 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.39 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2jys n LEU 37 N 1.09 1.21 0.14 4.37 4.77 0.34 -4.53 117.00 124.39 2jys n LEU 37 Ca 0.15 -0.82 0.19 0.00 -0.03 0.00 0.00 56.01 55.50 2jys n LEU 37 Cb 0.54 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.36 2jys n LEU 37 CO 0.15 0.25 1.17 -0.08 -1.33 0.00 0.00 177.39 177.55 2jys h GLU 38 N 1.05 0.00 0.00 3.23 4.81 -1.06 0.19 114.58 122.80 2jys h GLU 38 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2jys h GLU 38 Cb 0.29 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 2jys h GLU 38 CO 0.00 0.00 -0.55 -0.40 -0.73 0.00 0.00 179.01 177.33 2jys n ASP 39 N -3.45 1.52 -4.96 1.04 5.68 -1.26 -5.06 116.55 110.06 2jys n ASP 39 Ca 0.06 -3.19 -0.20 0.00 -0.50 0.00 0.00 54.79 50.95 2jys n ASP 39 Cb 0.61 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 40.16 2jys n ASP 39 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2jys s GLU 40 N -2.19 2.55 -0.06 0.11 0.41 0.66 -5.12 118.70 115.05 2jys s GLU 40 Ca 0.33 -1.52 0.01 0.00 -0.41 0.00 0.00 54.97 53.39 2jys s GLU 40 Cb 0.33 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 30.17 2jys s GLU 40 CO -0.07 -0.43 -0.06 1.03 -0.49 0.00 0.00 175.26 175.24 2jys s ARG 41 N -4.35 1.07 -0.06 1.61 0.52 -1.26 -5.04 118.95 111.43 2jys s ARG 41 Ca 0.52 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 2jys s ARG 41 Cb -0.06 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 2jys s ARG 41 CO 0.31 -0.09 1.29 -1.25 0.02 0.00 0.00 175.30 175.59 2jys s PRO 42 N 1.00 4.30 0.08 3.54 0.04 -1.26 -4.36 135.00 138.34 2jys s PRO 42 Ca -0.09 1.77 0.12 0.00 0.04 0.00 0.00 61.00 62.84 2jys s PRO 42 Cb -0.14 -3.63 -0.16 0.00 0.04 0.00 0.00 34.50 30.61 2jys s PRO 42 CO -0.00 -0.56 1.02 -0.84 0.04 0.00 0.00 177.00 176.66 2jys h ILE 43 N 5.12 1.05 -4.18 0.56 3.07 -1.80 -3.48 117.51 117.85 2jys h ILE 43 Ca -0.34 -2.70 -0.15 0.00 1.55 0.00 0.00 64.86 63.22 2jys h ILE 43 Cb 1.15 2.47 -0.14 0.00 -0.27 0.00 0.00 36.82 40.04 2jys h ILE 43 CO 0.91 0.60 -0.47 -1.10 -1.05 0.00 0.00 178.15 177.04 2jys s GLN 44 N -2.76 1.12 0.12 0.16 -0.21 -1.24 -5.03 119.66 111.82 2jys s GLN 44 Ca -0.01 -1.36 0.08 0.00 0.02 0.00 0.00 55.36 54.10 2jys s GLN 44 Cb 0.09 0.32 -0.04 0.00 1.00 0.00 0.00 33.01 34.38 2jys s GLN 44 CO 0.81 -0.38 -0.21 0.95 -2.12 0.00 0.00 175.29 174.34 2jys s THR 45 N -4.04 1.77 0.01 -0.19 -4.23 -1.26 0.53 115.64 108.23 2jys s THR 45 Ca 0.24 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2jys s THR 45 Cb 0.05 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 2jys s THR 45 CO 0.04 -0.10 -0.02 -0.04 -0.54 0.00 0.00 174.62 173.95 2jys s MET 46 N -2.10 0.20 -0.14 3.99 -1.94 -0.33 -4.83 119.30 114.14 2jys s MET 46 Ca 0.09 -0.20 -0.13 0.00 -1.71 0.00 0.00 55.69 53.74 2jys s MET 46 Cb -0.09 -0.11 -0.05 0.00 2.01 0.00 0.00 34.83 36.59 2jys s MET 46 CO 0.05 0.02 0.28 -1.17 -0.01 0.00 0.00 175.02 174.20 2jys s LEU 47 N -0.38 4.28 -0.08 -0.03 0.20 -1.26 -1.61 118.68 119.80 2jys s LEU 47 Ca -0.03 0.54 0.04 0.00 0.69 0.00 0.00 54.13 55.37 2jys s LEU 47 Cb -0.03 -2.36 -0.01 0.00 -0.43 0.00 0.00 46.19 43.36 2jys s LEU 47 CO -0.00 0.15 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.36 2jys s ILE 48 N 0.18 2.30 -0.08 6.68 1.01 0.13 -4.94 121.20 126.48 2jys s ILE 48 Ca 0.17 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2jys s ILE 48 Cb -0.13 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2jys s ILE 48 CO 0.05 0.56 -0.14 -0.54 0.00 0.00 0.00 174.94 174.87 2jys s LYS 49 N -0.01 2.84 0.16 2.79 1.02 -1.26 0.61 119.74 125.90 2jys s LYS 49 Ca -0.07 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.29 2jys s LYS 49 Cb -0.15 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2jys s LYS 49 CO 0.05 0.47 -0.13 0.95 -0.92 0.00 0.00 175.35 175.77 2jys s THR 50 N -0.33 1.42 0.35 2.17 -4.23 0.21 -4.93 115.64 110.29 2jys s THR 50 Ca 0.03 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 2jys s THR 50 Cb -0.13 -1.82 0.30 0.00 1.34 0.00 0.00 72.50 72.20 2jys s THR 50 CO 0.02 -0.59 1.92 -0.29 -0.54 0.00 0.00 174.62 175.15 2jys h ILE 51 N 2.94 0.98 -0.43 2.99 6.09 -2.04 -0.74 117.51 127.31 2jys h ILE 51 Ca -0.38 -0.27 -0.11 0.00 -1.37 0.00 0.00 64.86 62.72 2jys h ILE 51 Cb 1.20 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.59 2jys h ILE 51 CO 0.59 0.15 -0.18 -0.74 -3.07 0.00 0.00 178.15 174.89 2jys h HIS 52 N 0.80 0.92 0.00 2.19 2.76 -2.04 -3.48 115.15 116.30 2jys h HIS 52 Ca 0.37 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2jys h HIS 52 Cb 0.38 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2jys h HIS 52 CO -0.00 0.94 0.00 0.41 -1.30 0.00 0.00 177.93 177.97 2jys n GLY 53 N -0.28 -1.23 3.55 5.26 0.00 -0.28 -5.14 105.19 107.07 2jys n GLY 53 Ca 0.01 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 2jys n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jys s GLU 54 N -1.14 3.79 -0.02 1.61 2.02 -1.26 0.64 118.70 124.34 2jys s GLU 54 Ca 0.00 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.58 2jys s GLU 54 Cb 0.00 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.13 2jys s GLU 54 CO 0.00 0.19 -0.11 0.15 0.02 0.00 0.00 175.26 175.51 2jys s LYS 55 N 0.55 1.02 -0.12 1.61 1.02 0.20 -4.94 119.74 119.07 2jys s LYS 55 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2jys s LYS 55 Cb -0.14 -0.95 -0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2jys s LYS 55 CO 0.02 0.18 -0.14 -1.14 -0.92 0.00 0.00 175.35 173.35 2jys s GLN 56 N -0.02 3.33 0.27 1.68 0.74 -1.26 0.22 119.66 124.63 2jys s GLN 56 Ca 0.00 -0.69 0.12 0.00 0.05 0.00 0.00 55.36 54.83 2jys s GLN 56 Cb -0.07 -2.61 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 2jys s GLN 56 CO 0.00 0.23 -0.20 -0.65 -0.55 0.00 0.00 175.29 174.13 2jys s GLN 57 N 0.30 1.64 -0.08 1.67 -0.21 -0.64 -4.91 119.66 117.43 2jys s GLN 57 Ca -0.10 -1.74 -0.08 0.00 0.02 0.00 0.00 55.36 53.46 2jys s GLN 57 Cb -0.16 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 2jys s GLN 57 CO 0.06 0.32 0.20 -0.51 -2.12 0.00 0.00 175.29 173.24 2jys s ASP 58 N -3.44 6.46 0.39 5.90 1.01 -1.26 -1.18 116.67 124.55 2jys s ASP 58 Ca 0.29 0.54 -0.18 0.00 0.71 0.00 0.00 52.55 53.91 2jys s ASP 58 Cb -0.05 -2.09 -0.10 0.00 1.01 0.00 0.00 42.92 41.69 2jys s ASP 58 CO 0.14 0.37 0.86 -0.69 0.21 0.00 0.00 175.17 176.05 2jys s VAL 59 N -1.10 4.53 -0.03 -1.27 1.01 0.19 -4.65 120.40 119.09 2jys s VAL 59 Ca 0.19 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.41 2jys s VAL 59 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2jys s VAL 59 CO 0.08 -0.29 -0.10 -0.31 0.00 0.00 0.00 175.10 174.48 2jys s TYR 60 N -2.13 1.05 -0.36 5.22 1.51 -0.77 -2.15 117.35 119.71 2jys s TYR 60 Ca 0.58 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 56.23 2jys s TYR 60 Cb -0.10 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2jys s TYR 60 CO 0.17 -0.11 0.27 -0.47 -1.11 0.00 0.00 175.55 174.29 2jys s TYR 61 N 0.20 3.23 0.38 2.71 5.04 -1.26 0.17 117.35 127.82 2jys s TYR 61 Ca -0.04 -0.32 0.06 0.00 -2.44 0.00 0.00 57.07 54.34 2jys s TYR 61 Cb -0.09 -2.53 -0.07 0.00 0.35 0.00 0.00 41.96 39.62 2jys s TYR 61 CO 0.01 -0.44 0.01 -0.51 -1.34 0.00 0.00 175.55 173.28 2jys s LEU 62 N 1.73 2.66 -0.20 6.97 1.43 -0.78 -4.96 118.68 125.53 2jys s LEU 62 Ca 0.06 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 51.83 2jys s LEU 62 Cb -0.18 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.32 2jys s LEU 62 CO 0.10 -0.47 -0.16 -0.89 0.23 0.00 0.00 176.35 175.17 2jys s THR 63 N -2.87 2.02 0.08 5.49 2.01 -1.26 -2.01 115.64 119.09 2jys s THR 63 Ca 0.35 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2jys s THR 63 Cb 0.09 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2jys s THR 63 CO 0.17 0.33 -0.06 0.72 -0.69 0.00 0.00 174.62 175.08 2jys s PHE 64 N 1.26 0.80 -0.11 4.92 -0.71 -0.81 -3.75 117.98 119.57 2jys s PHE 64 Ca 0.00 -0.86 -0.20 0.00 -1.04 0.00 0.00 56.93 54.83 2jys s PHE 64 Cb -0.15 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 2jys s PHE 64 CO -0.10 -0.17 0.56 0.15 -1.34 0.00 0.00 175.22 174.32 2jys s LYS 65 N -3.43 4.35 -0.46 1.99 1.02 0.71 -0.97 119.74 122.95 2jys s LYS 65 Ca 0.07 0.59 -0.10 0.00 0.02 0.00 0.00 55.97 56.56 2jys s LYS 65 Cb 0.03 -3.46 0.10 0.00 -0.52 0.00 0.00 37.83 33.98 2jys s LYS 65 CO -0.04 0.08 0.33 0.08 -0.92 0.00 0.00 175.35 174.87 2jys s VAL 66 N 0.84 4.33 -1.10 3.17 1.01 0.25 -1.58 120.40 127.33 2jys s VAL 66 Ca 0.30 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.61 2jys s VAL 66 Cb -0.16 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2jys s VAL 66 CO 0.13 -0.68 0.84 0.00 0.00 0.00 0.00 175.10 175.38 2jys n GLN 67 N 4.95 -5.77 -2.16 2.72 6.02 -1.11 -2.48 117.38 119.55 2jys n GLN 67 Ca -0.09 0.67 -0.02 0.00 -0.01 0.00 0.00 57.00 57.55 2jys n GLN 67 Cb 0.42 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.51 2jys n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jys n GLY 68 N -1.62 0.44 2.68 1.08 0.00 -1.26 -5.04 105.19 101.47 2jys n GLY 68 Ca -0.01 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2jys n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jys s ARG 69 N -4.32 0.21 0.07 1.61 0.52 -1.03 -5.10 118.95 110.90 2jys s ARG 69 Ca 0.01 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 2jys s ARG 69 Cb -0.00 -1.36 -0.09 0.00 0.52 0.00 0.00 34.95 34.01 2jys s ARG 69 CO 0.01 -0.51 1.85 0.21 0.02 0.00 0.00 175.30 176.88 2jys s LYS 70 N 2.07 4.15 -0.09 3.54 2.20 -1.26 0.88 119.74 131.23 2jys s LYS 70 Ca 0.03 2.53 -0.04 0.00 -0.36 0.00 0.00 55.97 58.13 2jys s LYS 70 Cb -0.14 -3.85 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2jys s LYS 70 CO -0.06 -0.87 0.21 0.08 -0.36 0.00 0.00 175.35 174.34 2jys s VAL 71 N 3.50 -0.04 -0.10 4.02 1.01 -0.15 -4.88 120.40 123.76 2jys s VAL 71 Ca 0.82 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2jys s VAL 71 Cb -0.43 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2jys s VAL 71 CO 0.37 0.07 -0.03 -1.61 0.00 0.00 0.00 175.10 173.90 2jys s GLU 72 N 1.21 3.11 0.23 2.72 2.02 -1.26 -1.92 118.70 124.81 2jys s GLU 72 Ca -0.09 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.21 2jys s GLU 72 Cb -0.11 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.38 2jys s GLU 72 CO -0.07 0.57 0.69 0.00 0.02 0.00 0.00 175.26 176.47 2jys s ALA 73 N -0.54 -1.37 0.25 5.21 0.00 -0.85 -4.99 121.76 119.47 2jys s ALA 73 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2jys s ALA 73 Cb -0.12 0.85 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2jys s ALA 73 CO 0.02 -0.95 0.94 -1.21 0.00 0.00 0.00 175.76 174.57 2jys s GLU 74 N -3.83 4.82 0.10 0.00 2.02 -1.26 -1.87 118.70 118.67 2jys s GLU 74 Ca 0.08 1.48 0.05 0.00 0.02 0.00 0.00 54.97 56.59 2jys s GLU 74 Cb -0.04 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2jys s GLU 74 CO 0.00 0.48 -0.13 0.14 0.02 0.00 0.00 175.26 175.78 2jys s VAL 75 N -1.24 1.11 0.06 2.63 -7.23 0.45 -2.72 120.40 113.47 2jys s VAL 75 Ca 0.42 -1.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 2jys s VAL 75 Cb -0.25 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2jys s VAL 75 CO 0.31 -0.40 0.02 -0.76 -0.31 0.00 0.00 175.10 173.97 2jys s LEU 76 N -2.19 3.58 0.24 1.32 1.02 -0.84 -1.85 118.68 119.97 2jys s LEU 76 Ca 0.04 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.81 2jys s LEU 76 Cb -0.06 -2.23 -0.09 0.00 0.02 0.00 0.00 46.19 43.83 2jys s LEU 76 CO 0.02 0.21 0.95 0.00 0.02 0.00 0.00 176.35 177.54 2jys s ALA 77 N -1.27 3.34 0.02 4.21 0.00 -1.22 0.06 121.76 126.89 2jys s ALA 77 Ca 0.25 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 2jys s ALA 77 Cb -0.12 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2jys s ALA 77 CO 0.17 0.19 0.37 0.45 0.00 0.00 0.00 175.76 176.94 2jys s SER 78 N -1.18 -0.23 0.00 0.00 0.15 -0.22 -4.79 113.70 107.43 2jys s SER 78 Ca 0.41 0.03 0.13 0.00 0.70 0.00 0.00 55.95 57.22 2jys s SER 78 Cb -0.26 0.38 0.76 0.00 -1.71 0.00 0.00 66.02 65.18 2jys s SER 78 CO 0.32 -0.57 1.19 -0.81 1.20 0.00 0.00 173.24 174.57 2jys n PRO 79 N 0.81 0.53 -0.87 5.44 -0.04 -1.26 -2.69 135.00 136.91 2jys n PRO 79 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 2jys n PRO 79 Cb 0.58 -1.38 0.22 0.00 -0.04 0.00 0.00 33.50 32.89 2jys n PRO 79 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2jys s TYR 80 N -2.00 1.65 -0.17 0.54 2.02 -1.26 -4.95 117.35 113.17 2jys s TYR 80 Ca 0.19 1.02 0.17 0.00 -0.37 0.00 0.00 57.07 58.07 2jys s TYR 80 Cb 0.09 -3.19 0.45 0.00 -0.40 0.00 0.00 41.96 38.90 2jys s TYR 80 CO 0.15 -3.47 1.33 -0.25 -1.57 0.00 0.00 175.55 171.74 2jys n ASP 81 N -4.60 3.18 -0.65 2.29 8.00 -1.26 -4.66 116.55 118.86 2jys n ASP 81 Ca 0.04 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2jys n ASP 81 Cb 0.56 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jys n TYR 82 N -0.90 -0.07 -3.84 1.24 4.11 -1.26 -4.87 117.16 111.57 2jys n TYR 82 Ca 0.21 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.85 2jys n TYR 82 Cb 0.82 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.99 2jys n TYR 82 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2jys s ILE 83 N -1.79 0.76 0.07 -3.48 1.01 -0.87 -3.87 121.20 113.03 2jys s ILE 83 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 2jys s ILE 83 Cb 0.00 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.52 2jys s ILE 83 CO 0.00 0.25 0.85 -0.22 0.00 0.00 0.00 174.94 175.83 2jys s LEU 84 N 1.81 4.47 -0.03 2.97 0.20 -0.97 0.37 118.68 127.50 2jys s LEU 84 Ca 0.04 1.60 -0.08 0.00 0.69 0.00 0.00 54.13 56.37 2jys s LEU 84 Cb -0.13 -3.39 -0.05 0.00 -0.43 0.00 0.00 46.19 42.19 2jys s LEU 84 CO -0.07 -0.03 0.26 -0.76 -0.29 0.00 0.00 176.35 175.46 2jys s LEU 85 N -0.00 4.40 -0.01 -0.68 2.01 0.23 -1.13 118.68 123.49 2jys s LEU 85 Ca 0.42 0.62 -0.19 0.00 0.01 0.00 0.00 54.13 55.00 2jys s LEU 85 Cb -0.22 -2.48 -0.05 0.00 0.01 0.00 0.00 46.19 43.45 2jys s LEU 85 CO 0.26 0.31 0.54 0.21 1.01 0.00 0.00 176.35 178.69 2jys s ASN 86 N -1.37 6.91 0.36 2.29 2.47 -1.26 -3.32 114.94 121.03 2jys s ASN 86 Ca 0.23 1.08 0.07 0.00 0.42 0.00 0.00 52.86 54.67 2jys s ASN 86 Cb -0.14 -2.33 0.70 0.00 -1.45 0.00 0.00 41.25 38.04 2jys s ASN 86 CO 0.12 0.14 1.90 1.55 -3.72 0.00 0.00 177.10 177.09 2jys h PRO 87 N 5.53 0.37 0.00 0.43 0.13 -1.77 -2.03 132.00 134.65 2jys h PRO 87 Ca -0.46 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.49 2jys h PRO 87 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jys h PRO 87 CO 0.69 0.45 -0.48 0.77 -0.23 0.00 0.00 178.00 179.20 2jys h SER 88 N 0.35 0.00 0.90 1.44 0.02 -1.89 -2.91 113.55 111.47 2jys h SER 88 Ca 0.07 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.81 2jys h SER 88 Cb 0.35 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2jys h SER 88 CO 0.02 0.48 -0.99 0.44 -1.14 0.00 0.00 176.83 175.63 2jys h ASP 89 N 0.00 0.07 -2.58 3.07 3.32 -1.77 -3.37 116.42 115.16 2jys h ASP 89 Ca -0.00 -0.07 -0.61 0.00 0.02 0.00 0.00 57.03 56.36 2jys h ASP 89 Cb 0.96 -0.02 -0.42 0.00 0.22 0.00 0.00 39.33 40.07 2jys h ASP 89 CO 0.06 1.02 -0.56 1.33 -1.72 0.00 0.00 179.24 179.37 2jys n VAL 90 N -3.43 2.12 0.30 -1.35 0.24 -0.82 -4.88 118.33 110.52 2jys n VAL 90 Ca -0.01 -5.09 0.17 0.00 -2.04 0.00 0.00 64.34 57.36 2jys n VAL 90 Cb 0.92 -2.14 0.68 0.00 -1.47 0.00 0.00 33.84 31.82 2jys n VAL 90 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jys h PRO 91 N 4.70 0.00 0.00 7.34 0.13 -1.71 -2.77 132.00 139.69 2jys h PRO 91 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 2jys h PRO 91 Cb 0.70 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2jys h PRO 91 CO 0.80 0.00 -0.72 0.11 -0.23 0.00 0.00 178.00 177.95 2jys h TRP 92 N 0.00 0.00 -0.20 1.56 0.09 -1.89 -3.23 115.95 112.28 2jys h TRP 92 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2jys h TRP 92 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.68 2jys h TRP 92 CO 0.00 0.62 0.11 1.25 0.09 0.00 0.00 178.44 180.51 2jys h LEU 93 N 0.00 0.23 -9.41 0.11 5.85 -1.87 -3.40 115.31 106.82 2jys h LEU 93 Ca -0.03 -0.01 -0.54 0.00 0.84 0.00 0.00 57.88 58.14 2jys h LEU 93 Cb 1.50 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 2jys h LEU 93 CO 0.08 0.19 0.31 -0.04 -0.34 0.00 0.00 178.44 178.64 2jys s MET 94 N -5.22 4.55 0.27 1.25 -1.94 -1.22 -5.01 119.30 111.97 2jys s MET 94 Ca -0.06 1.32 -0.29 0.00 -1.71 0.00 0.00 55.69 54.94 2jys s MET 94 Cb 0.17 -3.45 -0.09 0.00 2.01 0.00 0.00 34.83 33.47 2jys s MET 94 CO 0.70 -0.00 1.21 0.21 -0.01 0.00 0.00 175.02 177.13 2jys s LYS 95 N 0.88 4.49 0.34 2.03 2.20 -1.26 -4.97 119.74 123.45 2jys s LYS 95 Ca 0.49 1.98 -0.28 0.00 -0.36 0.00 0.00 55.97 57.80 2jys s LYS 95 Cb -0.21 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 2jys s LYS 95 CO 0.26 -0.02 1.26 0.21 -0.36 0.00 0.00 175.35 176.70 2jys s LYS 96 N -1.20 4.33 0.53 4.03 2.47 -1.26 -4.91 119.74 123.74 2jys s LYS 96 Ca 0.49 2.11 0.32 0.00 -1.56 0.00 0.00 55.97 57.33 2jys s LYS 96 Cb -0.35 -3.02 1.31 0.00 -1.46 0.00 0.00 37.83 34.30 2jys s LYS 96 CO 0.44 -0.17 1.96 -1.00 0.16 0.00 0.00 175.35 176.74 2jys h PRO 97 N 3.31 0.00 0.00 4.03 0.13 -2.04 -3.56 132.00 133.87 2jys h PRO 97 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jys h PRO 97 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jys h PRO 97 CO 0.65 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.74