#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 2.43 0.58 -1.09 0.04 -1.26 -4.87 135.00 130.83 2jys s PRO 9 Ca 0.00 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 2jys s PRO 9 Cb 0.00 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.74 2jys s PRO 9 CO 0.00 -1.51 0.79 1.28 0.04 0.00 0.00 177.00 177.60 2jys n LEU 10 N -3.18 0.00 -4.47 -3.56 4.77 0.39 -4.77 117.00 106.18 2jys n LEU 10 Ca 0.09 -1.52 -0.33 0.00 -0.03 0.00 0.00 56.01 54.22 2jys n LEU 10 Cb 0.53 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2jys n LEU 10 CO 0.52 -0.92 -0.41 -1.61 -1.33 0.00 0.00 177.39 173.64 2jys s GLU 11 N -4.55 3.11 -0.05 3.23 2.02 -1.26 -0.96 118.70 120.25 2jys s GLU 11 Ca 0.51 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.76 2jys s GLU 11 Cb -0.03 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.60 2jys s GLU 11 CO 0.34 0.41 0.27 0.00 0.02 0.00 0.00 175.26 176.30 2jys s ALA 12 N -0.15 -0.66 -0.15 5.21 0.00 -0.77 -2.33 121.76 122.90 2jys s ALA 12 Ca 0.01 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2jys s ALA 12 Cb -0.13 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2jys s ALA 12 CO 0.03 -0.20 -0.18 -2.00 0.00 0.00 0.00 175.76 173.40 2jys s GLU 13 N -0.79 2.70 -0.15 0.00 2.12 -0.63 -1.03 118.70 120.93 2jys s GLU 13 Ca -0.09 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.51 2jys s GLU 13 Cb -0.04 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 2jys s GLU 13 CO 0.02 -0.14 -0.13 0.42 -0.54 0.00 0.00 175.26 174.89 2jys s ILE 14 N 1.16 2.93 -1.80 -3.70 1.01 0.12 0.34 121.20 121.27 2jys s ILE 14 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2jys s ILE 14 Cb -0.14 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2jys s ILE 14 CO -0.08 0.51 0.00 0.29 0.00 0.00 0.00 174.94 175.66 2jys n LYS 15 N 3.87 -1.63 0.00 2.79 5.02 -1.21 0.16 118.16 127.15 2jys n LYS 15 Ca -0.18 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2jys n LYS 15 Cb 0.52 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 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 -0.70 2.09 3.72 0.72 0.00 -1.26 -5.02 105.19 104.74 2jys n GLY 16 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.32 4.69 -0.23 2.61 2.01 0.12 -5.02 115.64 117.51 2jys s THR 17 Ca 0.00 2.04 -0.14 0.00 0.31 0.00 0.00 61.69 63.90 2jys s THR 17 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2jys s THR 17 CO 0.00 0.22 0.32 -0.75 -0.69 0.00 0.00 174.62 173.72 2jys s LYS 18 N 0.61 4.10 0.11 4.92 2.20 -1.26 0.13 119.74 130.55 2jys s LYS 18 Ca 0.50 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 2jys s LYS 18 Cb -0.22 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 2jys s LYS 18 CO 0.29 -0.07 0.12 -0.51 -0.36 0.00 0.00 175.35 174.82 2jys s LEU 19 N 1.42 1.70 0.20 5.43 1.43 -0.19 -5.00 118.68 123.66 2jys s LEU 19 Ca 0.15 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 2jys s LEU 19 Cb -0.15 0.64 -0.07 0.00 0.03 0.00 0.00 46.19 46.64 2jys s LEU 19 CO 0.07 -0.73 0.59 -0.54 0.23 0.00 0.00 176.35 175.97 2jys s LYS 20 N -3.95 3.96 0.39 1.70 1.02 -1.26 -1.84 119.74 119.75 2jys s LYS 20 Ca 0.14 0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.65 2jys s LYS 20 Cb 0.06 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 2jys s LYS 20 CO -0.05 0.39 0.12 0.00 -0.92 0.00 0.00 175.35 174.89 2jys s ALA 21 N -1.63 2.79 -0.07 5.17 0.00 -0.14 -3.65 121.76 124.23 2jys s ALA 21 Ca 0.43 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2jys s ALA 21 Cb -0.14 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2jys s ALA 21 CO 0.20 -0.34 -0.14 -1.01 0.00 0.00 0.00 175.76 174.47 2jys s HIS 22 N -3.25 1.62 -0.19 0.00 3.76 0.54 0.15 115.29 117.92 2jys s HIS 22 Ca 0.26 -0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 54.30 2jys s HIS 22 Cb 0.04 -1.16 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 2jys s HIS 22 CO 0.15 -0.30 0.89 -0.46 -0.85 0.00 0.00 174.74 174.17 2jys s TRP 23 N 0.62 3.40 -0.37 1.40 -0.00 -1.26 -1.71 118.94 121.01 2jys s TRP 23 Ca -0.15 1.31 0.02 0.00 -0.00 0.00 0.00 56.10 57.28 2jys s TRP 23 Cb -0.16 -3.09 0.11 0.00 -0.00 0.00 0.00 33.47 30.33 2jys s TRP 23 CO 0.04 -0.31 0.14 0.34 -0.00 0.00 0.00 176.95 177.16 2jys s ASP 24 N 1.19 4.12 0.44 5.86 2.15 -1.18 -4.95 116.67 124.29 2jys s ASP 24 Ca 0.40 -2.16 0.17 0.00 0.43 0.00 0.00 52.55 51.40 2jys s ASP 24 Cb -0.16 -1.16 1.10 0.00 -0.30 0.00 0.00 42.92 42.40 2jys s ASP 24 CO 0.11 -0.35 1.91 -1.28 -0.17 0.00 0.00 175.17 175.39 2jys h SER 25 N 7.46 0.35 -0.59 -0.34 0.87 -1.95 0.13 113.55 119.48 2jys h SER 25 Ca -0.07 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2jys h SER 25 Cb 0.98 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 2jys h SER 25 CO 0.50 0.17 0.39 1.23 -0.53 0.00 0.00 176.83 178.59 2jys h GLY 26 N 0.37 0.81 -4.09 5.77 0.00 -1.95 -3.42 103.07 100.55 2jys h GLY 26 Ca 0.39 -0.30 -0.53 0.00 0.00 0.00 0.00 47.33 46.90 2jys h GLY 26 CO -0.12 0.28 0.72 0.00 0.00 0.00 0.00 176.54 177.42 2jys s ALA 27 N -5.65 3.58 -1.00 3.60 0.00 0.44 -4.90 121.76 117.82 2jys s ALA 27 Ca -0.09 1.33 0.19 0.00 0.00 0.00 0.00 51.96 53.39 2jys s ALA 27 Cb 0.18 -3.54 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 2jys s ALA 27 CO 0.76 -0.74 0.83 2.41 0.00 0.00 0.00 175.76 179.01 2jys n THR 28 N 1.62 0.00 -4.10 0.00 -1.04 -1.26 -4.22 114.28 105.27 2jys n THR 28 Ca 0.04 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 2jys n THR 28 Cb 0.41 1.03 -0.10 0.00 -1.82 0.00 0.00 70.33 69.84 2jys n THR 28 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jys s ILE 29 N -2.74 0.26 0.53 12.58 2.07 -1.26 -4.80 121.20 127.84 2jys s ILE 29 Ca 0.08 -1.82 -0.20 0.00 -1.41 0.00 0.00 60.65 57.30 2jys s ILE 29 Cb 0.15 -1.55 -0.07 0.00 0.13 0.00 0.00 42.46 41.12 2jys s ILE 29 CO 0.75 -0.98 1.10 -0.89 -1.91 0.00 0.00 174.94 173.01 2jys s THR 30 N -3.90 3.38 -0.09 4.00 2.01 -1.23 -4.36 115.64 115.45 2jys s THR 30 Ca 0.08 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2jys s THR 30 Cb 0.08 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2jys s THR 30 CO -0.09 -0.19 -0.14 0.00 -0.69 0.00 0.00 174.62 173.51 2jys s VAL 32 N 0.88 1.47 0.10 0.00 1.01 0.12 -0.73 120.40 123.23 2jys s VAL 32 Ca -0.10 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 2jys s VAL 32 Cb -0.15 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 2jys s VAL 32 CO 0.01 0.02 1.06 -2.16 0.00 0.00 0.00 175.10 174.03 2jys s PRO 33 N -1.47 4.58 0.59 2.72 0.04 -1.25 -1.31 135.00 138.89 2jys s PRO 33 Ca 0.04 1.60 0.33 0.00 0.04 0.00 0.00 61.00 63.01 2jys s PRO 33 Cb -0.09 -3.36 1.24 0.00 0.04 0.00 0.00 34.50 32.34 2jys s PRO 33 CO 0.02 0.01 1.51 1.49 0.04 0.00 0.00 177.00 180.07 2jys h GLU 34 N 5.96 0.00 -0.32 4.56 4.81 -1.79 0.53 114.58 128.33 2jys h GLU 34 Ca -0.43 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2jys h GLU 34 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2jys h GLU 34 CO 0.75 0.00 0.60 0.00 -0.73 0.00 0.00 179.01 179.62 2jys h ALA 35 N 0.87 1.98 -0.01 2.92 0.00 -1.90 1.55 119.26 124.67 2jys h ALA 35 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2jys h ALA 35 Cb 2.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.55 2jys h ALA 35 CO -0.01 -0.76 -0.56 1.19 0.00 0.00 0.00 179.25 179.11 2jys n PHE 36 N -3.22 0.00 0.50 0.00 3.01 0.19 -4.24 117.46 113.70 2jys n PHE 36 Ca 0.06 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.57 2jys n PHE 36 Cb 0.73 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.19 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 -0.50 1.20 -0.30 4.37 7.99 0.49 -4.52 117.00 125.73 2jys n LEU 37 Ca 0.07 -0.73 0.13 0.00 -0.01 0.00 0.00 56.01 55.47 2jys n LEU 37 Cb 0.37 0.00 0.30 0.00 -0.11 0.00 0.00 43.42 43.98 2jys n LEU 37 CO 0.29 0.24 0.94 -0.33 -1.51 0.00 0.00 177.39 177.03 2jys h GLU 38 N 1.10 0.20 -0.49 3.23 5.08 -0.51 0.59 114.58 123.78 2jys h GLU 38 Ca 0.00 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2jys h GLU 38 Cb 0.37 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 2jys h GLU 38 CO 0.00 0.13 0.11 -0.40 -1.00 0.00 0.00 179.01 177.85 2jys n ASP 39 N -5.23 3.85 -2.40 1.42 5.68 -1.26 -4.98 116.55 113.63 2jys n ASP 39 Ca 0.22 -3.32 -0.04 0.00 -0.50 0.00 0.00 54.79 51.15 2jys n ASP 39 Cb 0.70 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2jys n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jys n GLU 40 N -0.58 1.33 -3.72 0.11 -0.58 0.21 -5.14 120.64 112.26 2jys n GLU 40 Ca 0.33 -0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 56.47 2jys n GLU 40 Cb 1.15 0.04 -0.13 0.00 -0.57 0.00 0.00 31.44 31.93 2jys n GLU 40 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jys s ARG 41 N -2.32 0.20 -0.02 3.49 1.81 -1.26 -5.02 118.95 115.83 2jys s ARG 41 Ca 0.05 0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 54.30 2jys s ARG 41 Cb -0.00 -0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 2jys s ARG 41 CO 0.03 -0.17 1.49 -1.25 -0.68 0.00 0.00 175.30 174.72 2jys s PRO 42 N 1.32 4.24 0.23 3.54 0.04 -1.26 -4.62 135.00 138.50 2jys s PRO 42 Ca -0.09 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.12 2jys s PRO 42 Cb -0.10 -3.70 0.07 0.00 0.04 0.00 0.00 34.50 30.80 2jys s PRO 42 CO -0.09 -0.68 1.43 -0.84 0.04 0.00 0.00 177.00 176.87 2jys h ILE 43 N 5.12 1.21 -3.91 0.56 3.07 -1.89 -3.47 117.51 118.21 2jys h ILE 43 Ca -0.38 -2.56 -0.10 0.00 1.55 0.00 0.00 64.86 63.37 2jys h ILE 43 Cb 1.17 2.50 -0.13 0.00 -0.27 0.00 0.00 36.82 40.09 2jys h ILE 43 CO 0.93 0.66 -0.37 -1.10 -1.05 0.00 0.00 178.15 177.22 2jys s GLN 44 N -3.00 1.03 0.24 0.16 -0.21 -1.25 -5.04 119.66 111.58 2jys s GLN 44 Ca 0.02 -1.13 0.09 0.00 0.02 0.00 0.00 55.36 54.36 2jys s GLN 44 Cb 0.09 0.35 -0.04 0.00 1.00 0.00 0.00 33.01 34.41 2jys s GLN 44 CO 0.77 -0.35 0.01 0.95 -2.12 0.00 0.00 175.29 174.54 2jys s THR 45 N -3.94 3.58 -0.03 -0.19 -4.23 -1.26 0.41 115.64 109.98 2jys s THR 45 Ca 0.14 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2jys s THR 45 Cb 0.04 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2jys s THR 45 CO -0.04 -0.30 0.08 -0.32 -0.54 0.00 0.00 174.62 173.51 2jys s MET 46 N -3.46 0.07 -0.16 3.99 1.75 -0.36 -4.78 119.30 116.36 2jys s MET 46 Ca 0.30 0.16 -0.16 0.00 -1.25 0.00 0.00 55.69 54.75 2jys s MET 46 Cb -0.07 -0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.53 2jys s MET 46 CO 0.20 -0.05 0.37 -1.17 -0.65 0.00 0.00 175.02 173.71 2jys s LEU 47 N 0.35 4.24 -0.10 4.11 2.96 -1.26 -1.92 118.68 127.05 2jys s LEU 47 Ca -0.03 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2jys s LEU 47 Cb -0.04 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 2jys s LEU 47 CO -0.01 0.03 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 2jys s ILE 48 N 0.68 2.42 -0.14 6.68 1.01 -0.42 -4.96 121.20 126.47 2jys s ILE 48 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2jys s ILE 48 Cb -0.14 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.40 2jys s ILE 48 CO 0.07 0.55 -0.13 -0.75 0.00 0.00 0.00 174.94 174.68 2jys s LYS 49 N 0.21 2.13 0.02 2.79 2.20 -1.26 0.21 119.74 126.04 2jys s LYS 49 Ca -0.13 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2jys s LYS 49 Cb -0.16 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2jys s LYS 49 CO 0.07 -0.25 0.01 0.25 -0.36 0.00 0.00 175.35 175.07 2jys n THR 50 N 4.81 0.00 -0.01 3.43 -2.24 0.57 -4.97 114.28 115.87 2jys n THR 50 Ca -0.16 -0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 2jys n THR 50 Cb 0.50 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 2jys n THR 50 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jys h ILE 51 N 0.63 1.59 -0.91 2.28 1.08 -2.03 -3.29 117.51 116.86 2jys h ILE 51 Ca -0.01 -2.26 0.04 0.00 -0.39 0.00 0.00 64.86 62.24 2jys h ILE 51 Cb 0.04 3.05 -0.05 0.00 -3.07 0.00 0.00 36.82 36.79 2jys h ILE 51 CO 0.02 0.62 0.60 -0.74 -0.69 0.00 0.00 178.15 177.96 2jys h HIS 52 N -0.54 1.10 -1.36 1.37 2.76 -2.04 -3.47 115.15 112.97 2jys h HIS 52 Ca -0.06 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.25 2jys h HIS 52 Cb 1.25 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 2jys h HIS 52 CO 0.21 0.64 0.30 0.41 -1.30 0.00 0.00 177.93 178.19 2jys n GLY 53 N -1.39 0.36 3.40 5.26 0.00 -1.24 -5.14 105.19 106.44 2jys n GLY 53 Ca 0.12 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2jys n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jys s GLU 54 N -2.00 3.34 -0.06 1.61 2.12 -1.26 -0.32 118.70 122.14 2jys s GLU 54 Ca 0.10 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2jys s GLU 54 Cb -0.00 -2.65 0.01 0.00 0.26 0.00 0.00 34.13 31.75 2jys s GLU 54 CO -0.01 0.26 -0.12 0.15 -0.54 0.00 0.00 175.26 175.01 2jys s LYS 55 N 0.24 1.53 -0.20 4.30 1.02 0.13 -4.96 119.74 121.80 2jys s LYS 55 Ca -0.08 -0.39 -0.08 0.00 0.02 0.00 0.00 55.97 55.44 2jys s LYS 55 Cb -0.15 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 2jys s LYS 55 CO 0.05 0.05 0.09 -1.14 -0.92 0.00 0.00 175.35 173.48 2jys s GLN 56 N 0.56 4.01 0.13 1.68 0.74 -1.26 -1.30 119.66 124.23 2jys s GLN 56 Ca -0.12 -0.31 0.07 0.00 0.05 0.00 0.00 55.36 55.04 2jys s GLN 56 Cb -0.14 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2jys s GLN 56 CO 0.03 0.21 -0.15 -0.65 -0.55 0.00 0.00 175.29 174.18 2jys s GLN 57 N 0.56 1.07 0.28 1.67 -0.21 -0.81 -4.94 119.66 117.29 2jys s GLN 57 Ca 0.05 -1.26 -0.08 0.00 0.02 0.00 0.00 55.36 54.09 2jys s GLN 57 Cb -0.12 -1.02 -0.06 0.00 1.00 0.00 0.00 33.01 32.81 2jys s GLN 57 CO 0.01 0.20 0.59 -0.51 -2.12 0.00 0.00 175.29 173.46 2jys s ASP 58 N -2.43 6.54 0.30 5.90 1.01 -1.26 -1.22 116.67 125.50 2jys s ASP 58 Ca 0.10 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.24 2jys s ASP 58 Cb -0.06 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2jys s ASP 58 CO 0.04 -0.17 0.49 0.54 0.21 0.00 0.00 175.17 176.27 2jys s VAL 59 N -2.01 5.14 -0.04 -1.27 0.11 0.17 -4.28 120.40 118.21 2jys s VAL 59 Ca 0.47 -0.48 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2jys s VAL 59 Cb -0.11 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2jys s VAL 59 CO 0.26 -0.43 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.29 2jys s TYR 60 N -2.16 0.45 -0.27 1.54 1.51 -0.27 -2.76 117.35 115.39 2jys s TYR 60 Ca 0.39 -0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 56.21 2jys s TYR 60 Cb -0.10 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2jys s TYR 60 CO 0.33 -0.20 0.56 -0.47 -1.11 0.00 0.00 175.55 174.67 2jys s TYR 61 N 1.35 3.26 0.30 2.71 6.14 -1.26 0.14 117.35 129.98 2jys s TYR 61 Ca -0.05 0.66 0.03 0.00 0.64 0.00 0.00 57.07 58.35 2jys s TYR 61 Cb -0.13 -2.80 -0.06 0.00 0.42 0.00 0.00 41.96 39.39 2jys s TYR 61 CO -0.02 -0.33 0.08 -0.51 0.64 0.00 0.00 175.55 175.40 2jys s LEU 62 N 2.41 1.92 -0.16 6.97 1.43 -0.80 -4.96 118.68 125.48 2jys s LEU 62 Ca 0.23 -1.39 0.02 0.00 -1.03 0.00 0.00 54.13 51.96 2jys s LEU 62 Cb -0.15 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.90 2jys s LEU 62 CO 0.09 -0.67 -0.20 -0.89 0.23 0.00 0.00 176.35 174.91 2jys s THR 63 N -3.51 2.13 0.05 5.49 2.01 -1.26 -2.02 115.64 118.52 2jys s THR 63 Ca 0.37 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 2jys s THR 63 Cb 0.08 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2jys s THR 63 CO 0.15 0.54 0.03 0.72 -0.69 0.00 0.00 174.62 175.37 2jys s PHE 64 N 1.02 0.35 -0.08 4.92 -0.71 -0.73 -3.34 117.98 119.41 2jys s PHE 64 Ca -0.02 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 54.87 2jys s PHE 64 Cb -0.14 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2jys s PHE 64 CO -0.06 -0.37 0.65 0.15 -1.34 0.00 0.00 175.22 174.25 2jys s LYS 65 N -3.21 4.41 -0.53 1.99 1.02 0.15 -1.33 119.74 122.24 2jys s LYS 65 Ca 0.00 0.78 -0.12 0.00 0.02 0.00 0.00 55.97 56.65 2jys s LYS 65 Cb 0.03 -3.45 0.13 0.00 -0.52 0.00 0.00 37.83 34.02 2jys s LYS 65 CO -0.07 0.07 0.44 0.08 -0.92 0.00 0.00 175.35 174.95 2jys s VAL 66 N 0.81 4.64 -1.34 3.17 1.01 0.22 -1.60 120.40 127.32 2jys s VAL 66 Ca 0.35 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 2jys s VAL 66 Cb -0.17 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2jys s VAL 66 CO 0.16 -0.84 0.54 0.00 0.00 0.00 0.00 175.10 174.97 2jys n GLN 67 N 4.86 -4.32 -1.49 2.72 6.02 -0.99 -2.37 117.38 121.82 2jys n GLN 67 Ca -0.07 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2jys n GLN 67 Cb 0.41 -5.38 0.00 0.00 1.02 0.00 0.00 30.24 26.29 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 -1.43 0.86 2.69 1.08 0.00 -1.26 -5.06 105.19 102.07 2jys n GLY 68 Ca -0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.21 0.40 -0.04 1.61 0.52 -1.00 -5.10 118.95 112.13 2jys s ARG 69 Ca 0.00 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 2jys s ARG 69 Cb 0.00 -1.81 -0.07 0.00 0.52 0.00 0.00 34.95 33.59 2jys s ARG 69 CO 0.00 -0.60 1.95 0.21 0.02 0.00 0.00 175.30 176.88 2jys s LYS 70 N 1.98 3.93 -0.04 3.54 2.20 -1.26 0.71 119.74 130.80 2jys s LYS 70 Ca 0.01 2.37 -0.03 0.00 -0.36 0.00 0.00 55.97 57.97 2jys s LYS 70 Cb -0.16 -4.17 0.02 0.00 -1.51 0.00 0.00 37.83 32.01 2jys s LYS 70 CO -0.08 -1.19 0.09 0.08 -0.36 0.00 0.00 175.35 173.89 2jys s VAL 71 N 5.20 -0.02 -0.07 4.02 1.01 -0.44 -4.91 120.40 125.19 2jys s VAL 71 Ca 0.87 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2jys s VAL 71 Cb -0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2jys s VAL 71 CO 0.38 0.02 -0.11 -1.61 0.00 0.00 0.00 175.10 173.78 2jys s GLU 72 N 0.38 2.78 0.23 2.72 2.02 -1.26 -1.77 118.70 123.80 2jys s GLU 72 Ca -0.03 -0.63 -0.22 0.00 0.02 0.00 0.00 54.97 54.11 2jys s GLU 72 Cb -0.04 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.71 2jys s GLU 72 CO -0.01 0.55 0.68 0.00 0.02 0.00 0.00 175.26 176.50 2jys s ALA 73 N -0.53 -1.37 0.13 5.21 0.00 -0.86 -5.00 121.76 119.34 2jys s ALA 73 Ca 0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 2jys s ALA 73 Cb -0.12 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 2jys s ALA 73 CO 0.02 -0.94 0.90 -1.21 0.00 0.00 0.00 175.76 174.52 2jys s GLU 74 N -3.84 4.67 0.08 0.00 2.02 -1.26 -1.91 118.70 118.46 2jys s GLU 74 Ca 0.07 1.35 0.08 0.00 0.02 0.00 0.00 54.97 56.49 2jys s GLU 74 Cb -0.04 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2jys s GLU 74 CO -0.00 0.32 -0.20 0.14 0.02 0.00 0.00 175.26 175.54 2jys s VAL 75 N -0.35 1.63 0.04 2.63 -7.23 0.36 -3.53 120.40 113.96 2jys s VAL 75 Ca 0.43 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 2jys s VAL 75 Cb -0.23 -1.46 -0.06 0.00 0.56 0.00 0.00 36.38 35.19 2jys s VAL 75 CO 0.28 0.02 0.39 -0.22 -0.31 0.00 0.00 175.10 175.27 2jys s LEU 76 N -1.61 4.40 0.09 1.32 2.96 -0.84 -1.11 118.68 123.90 2jys s LEU 76 Ca 0.06 0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 54.51 2jys s LEU 76 Cb -0.09 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 2jys s LEU 76 CO 0.03 0.24 0.99 0.00 -1.32 0.00 0.00 176.35 176.29 2jys s ALA 77 N -1.27 3.25 -0.00 5.97 0.00 -1.21 0.10 121.76 128.60 2jys s ALA 77 Ca 0.29 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2jys s ALA 77 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2jys s ALA 77 CO 0.16 -0.10 0.13 0.45 0.00 0.00 0.00 175.76 176.40 2jys s SER 78 N 0.23 0.02 0.00 0.00 0.15 -0.43 -4.75 113.70 108.92 2jys s SER 78 Ca 0.49 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.10 2jys s SER 78 Cb -0.24 0.21 0.81 0.00 -1.71 0.00 0.00 66.02 65.10 2jys s SER 78 CO 0.30 -0.33 1.24 -0.81 1.20 0.00 0.00 173.24 174.84 2jys n PRO 79 N 1.63 0.52 -0.64 5.44 -0.04 -1.26 -2.57 135.00 138.07 2jys n PRO 79 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 2jys n PRO 79 Cb 0.56 -1.41 0.25 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.90 -0.18 0.54 2.02 -1.26 -4.95 117.35 112.42 2jys s TYR 80 Ca 0.20 0.92 0.16 0.00 -0.37 0.00 0.00 57.07 57.99 2jys s TYR 80 Cb 0.09 -3.10 0.47 0.00 -0.40 0.00 0.00 41.96 39.03 2jys s TYR 80 CO 0.16 -4.05 1.37 -0.40 -1.57 0.00 0.00 175.55 171.05 2jys n ASP 81 N -5.00 3.35 -0.10 2.29 5.68 -1.26 -4.77 116.55 116.73 2jys n ASP 81 Ca 0.06 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 2jys n ASP 81 Cb 0.57 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jys n TYR 82 N -0.80 -0.02 -4.16 2.11 4.11 -1.26 -5.00 117.16 112.13 2jys n TYR 82 Ca 0.22 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.95 2jys n TYR 82 Cb 0.85 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 40.07 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 -1.56 0.89 -0.14 -3.48 1.01 -1.24 -3.95 121.20 112.73 2jys s ILE 83 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.47 2jys s ILE 83 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2jys s ILE 83 CO 0.00 -0.24 -0.04 -0.76 0.00 0.00 0.00 174.94 173.90 2jys s LEU 84 N -1.55 3.25 -0.17 2.97 1.43 0.09 -0.34 118.68 124.35 2jys s LEU 84 Ca -0.04 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 2jys s LEU 84 Cb -0.09 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2jys s LEU 84 CO 0.01 0.21 0.14 -0.76 0.23 0.00 0.00 176.35 176.18 2jys s LEU 85 N 0.14 4.27 0.03 1.79 2.01 -0.69 -1.67 118.68 124.55 2jys s LEU 85 Ca -0.01 0.31 -0.21 0.00 0.01 0.00 0.00 54.13 54.23 2jys s LEU 85 Cb -0.14 -2.09 -0.06 0.00 0.01 0.00 0.00 46.19 43.92 2jys s LEU 85 CO 0.03 0.25 0.62 0.21 1.01 0.00 0.00 176.35 178.47 2jys s ASN 86 N -0.08 7.04 0.38 2.29 2.47 -1.26 -3.13 114.94 122.66 2jys s ASN 86 Ca 0.10 1.24 0.09 0.00 0.42 0.00 0.00 52.86 54.72 2jys s ASN 86 Cb -0.11 -2.38 0.77 0.00 -1.45 0.00 0.00 41.25 38.07 2jys s ASN 86 CO -0.00 0.13 1.91 1.55 -3.72 0.00 0.00 177.10 176.97 2jys h PRO 87 N 5.34 0.25 -0.09 0.43 0.13 -1.78 -2.24 132.00 134.03 2jys h PRO 87 Ca -0.46 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 2jys h PRO 87 Cb 1.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jys h PRO 87 CO 0.68 0.39 -0.63 0.77 -0.23 0.00 0.00 178.00 178.98 2jys h SER 88 N 0.24 0.38 0.25 1.44 0.02 -1.87 -3.03 113.55 110.98 2jys h SER 88 Ca 0.05 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 2jys h SER 88 Cb 0.38 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2jys h SER 88 CO 0.02 0.92 -0.60 0.44 -1.14 0.00 0.00 176.83 176.47 2jys h ASP 89 N 0.24 0.40 -2.89 3.07 3.32 -1.80 -3.34 116.42 115.43 2jys h ASP 89 Ca -0.01 -0.23 -0.65 0.00 0.02 0.00 0.00 57.03 56.16 2jys h ASP 89 Cb 1.17 -0.12 -0.39 0.00 0.22 0.00 0.00 39.33 40.21 2jys h ASP 89 CO 0.10 0.91 -0.34 1.33 -1.72 0.00 0.00 179.24 179.53 2jys n VAL 90 N -3.90 2.52 0.27 -1.35 0.24 -0.88 -4.87 118.33 110.36 2jys n VAL 90 Ca -0.03 -5.12 0.15 0.00 -2.04 0.00 0.00 64.34 57.30 2jys n VAL 90 Cb 0.62 -2.21 0.67 0.00 -1.47 0.00 0.00 33.84 31.45 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 5.22 0.00 0.00 7.34 0.13 -1.68 -2.72 132.00 140.29 2jys h PRO 91 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2jys h PRO 91 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2jys h PRO 91 CO 0.84 0.07 -0.34 0.11 -0.23 0.00 0.00 178.00 178.46 2jys h TRP 92 N 0.00 0.00 0.06 1.56 0.09 -1.89 -2.88 115.95 112.89 2jys h TRP 92 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.89 58.74 2jys h TRP 92 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.75 2jys h TRP 92 CO 0.00 0.34 -1.06 1.25 0.09 0.00 0.00 178.44 179.06 2jys h LEU 93 N 0.00 0.37 -1.31 0.11 5.85 -1.85 -3.18 115.31 115.30 2jys h LEU 93 Ca -0.00 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 2jys h LEU 93 Cb 0.79 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2jys h LEU 93 CO 0.04 1.21 -0.34 0.24 -0.34 0.00 0.00 178.44 179.25 2jys h MET 94 N 0.11 0.00 -6.78 1.25 2.86 -1.55 -3.42 114.93 107.40 2jys h MET 94 Ca -0.09 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.05 2jys h MET 94 Cb 1.74 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.41 2jys h MET 94 CO 0.17 0.34 0.45 0.15 1.06 0.00 0.00 176.91 179.08 2jys s LYS 95 N -4.19 4.68 -0.57 1.72 1.02 -1.12 -5.00 119.74 116.28 2jys s LYS 95 Ca -0.03 1.73 0.04 0.00 0.02 0.00 0.00 55.97 57.73 2jys s LYS 95 Cb 0.14 -3.22 0.17 0.00 -0.52 0.00 0.00 37.83 34.40 2jys s LYS 95 CO 0.71 0.26 0.41 -1.59 -0.92 0.00 0.00 175.35 174.23 2jys s LYS 96 N -1.27 1.76 0.45 1.68 -2.85 -1.26 -4.92 119.74 113.33 2jys s LYS 96 Ca 0.44 -2.76 0.30 0.00 -1.00 0.00 0.00 55.97 52.96 2jys s LYS 96 Cb -0.30 -2.55 1.25 0.00 -2.06 0.00 0.00 37.83 34.16 2jys s LYS 96 CO 0.38 -1.32 1.90 -1.00 0.10 0.00 0.00 175.35 175.41 2jys h PRO 97 N 5.59 0.00 0.00 1.78 0.13 -1.95 -3.55 132.00 134.00 2jys h PRO 97 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2jys h PRO 97 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2jys h PRO 97 CO 0.56 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.22