#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 3.10 0.25 -1.09 0.04 -1.26 -4.90 135.00 131.14 2jys s PRO 9 Ca 0.00 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2jys s PRO 9 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2jys s PRO 9 CO 0.00 -1.03 0.49 -0.51 0.04 0.00 0.00 177.00 175.99 2jys s LEU 10 N -4.31 4.13 0.09 -3.56 1.43 0.51 -4.85 118.68 112.11 2jys s LEU 10 Ca 0.70 0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 54.21 2jys s LEU 10 Cb -0.22 -3.41 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 2jys s LEU 10 CO 0.34 -0.13 0.60 -1.61 0.23 0.00 0.00 176.35 175.78 2jys s GLU 11 N -3.40 4.25 0.05 1.70 2.02 -1.26 0.38 118.70 122.44 2jys s GLU 11 Ca 0.42 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 56.10 2jys s GLU 11 Cb -0.11 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.90 2jys s GLU 11 CO 0.29 0.62 0.22 0.00 0.02 0.00 0.00 175.26 176.41 2jys s ALA 12 N -1.13 -0.42 -0.23 5.21 0.00 0.17 -2.32 121.76 123.04 2jys s ALA 12 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2jys s ALA 12 Cb -0.20 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.30 2jys s ALA 12 CO 0.20 -0.39 -0.02 -2.00 0.00 0.00 0.00 175.76 173.55 2jys s GLU 13 N -2.70 1.28 -0.18 0.00 2.12 -0.58 0.83 118.70 119.47 2jys s GLU 13 Ca -0.04 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 2jys s GLU 13 Cb -0.00 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 2jys s GLU 13 CO -0.05 -0.63 0.05 0.42 -0.54 0.00 0.00 175.26 174.51 2jys s ILE 14 N 1.54 4.58 -1.70 -3.70 1.01 0.05 -0.24 121.20 122.73 2jys s ILE 14 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2jys s ILE 14 Cb -0.18 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2jys s ILE 14 CO -0.07 0.45 0.00 0.29 0.00 0.00 0.00 174.94 175.61 2jys n LYS 15 N 3.69 -1.46 0.00 2.79 5.02 -1.25 -0.48 118.16 126.48 2jys n LYS 15 Ca -0.17 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2jys n LYS 15 Cb 0.52 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -0.32 1.38 3.79 0.72 0.00 -1.26 -5.03 105.19 104.47 2jys n GLY 16 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.38 4.47 -0.28 2.61 2.01 0.37 -5.01 115.64 117.43 2jys s THR 17 Ca 0.00 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 2jys s THR 17 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.47 2jys s THR 17 CO 0.00 0.50 1.10 -0.75 -0.69 0.00 0.00 174.62 174.78 2jys s LYS 18 N -1.22 4.11 0.06 4.92 2.20 -1.26 -0.77 119.74 127.78 2jys s LYS 18 Ca 0.35 1.20 0.05 0.00 -0.36 0.00 0.00 55.97 57.21 2jys s LYS 18 Cb -0.22 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 2jys s LYS 18 CO 0.24 -0.84 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.08 2jys s LEU 19 N 3.60 2.22 0.54 5.43 2.96 0.24 -4.94 118.68 128.73 2jys s LEU 19 Ca 0.47 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 2jys s LEU 19 Cb -0.14 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 2jys s LEU 19 CO 0.14 -0.01 0.95 -0.54 -1.32 0.00 0.00 176.35 175.56 2jys s LYS 20 N -1.44 3.71 0.08 1.98 1.02 -1.26 -0.66 119.74 123.17 2jys s LYS 20 Ca 0.00 0.68 -0.06 0.00 0.02 0.00 0.00 55.97 56.61 2jys s LYS 20 Cb -0.09 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2jys s LYS 20 CO 0.02 -0.36 0.13 0.00 -0.92 0.00 0.00 175.35 174.21 2jys s ALA 21 N -2.86 -0.01 -0.07 5.17 0.00 0.16 -2.65 121.76 121.51 2jys s ALA 21 Ca 0.54 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2jys s ALA 21 Cb -0.10 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2jys s ALA 21 CO 0.44 -0.47 -0.12 -1.01 0.00 0.00 0.00 175.76 174.59 2jys s HIS 22 N -3.88 1.47 -0.05 0.00 3.76 0.21 0.19 115.29 117.00 2jys s HIS 22 Ca 0.06 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.11 2jys s HIS 22 Cb 0.06 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 2jys s HIS 22 CO -0.11 -0.29 1.20 -0.46 -0.85 0.00 0.00 174.74 174.23 2jys s TRP 23 N 0.73 3.19 -0.35 1.40 -0.00 -1.26 -1.66 118.94 121.00 2jys s TRP 23 Ca -0.13 1.21 -0.00 0.00 -0.00 0.00 0.00 56.10 57.17 2jys s TRP 23 Cb -0.16 -3.43 0.11 0.00 -0.00 0.00 0.00 33.47 30.00 2jys s TRP 23 CO 0.03 -1.34 0.15 0.34 -0.00 0.00 0.00 176.95 176.13 2jys s ASP 24 N 1.47 3.76 0.48 5.86 2.15 -1.19 -4.93 116.67 124.28 2jys s ASP 24 Ca 0.56 -1.96 0.18 0.00 0.43 0.00 0.00 52.55 51.76 2jys s ASP 24 Cb -0.25 -0.82 1.19 0.00 -0.30 0.00 0.00 42.92 42.74 2jys s ASP 24 CO 0.22 -0.36 2.01 0.77 -0.17 0.00 0.00 175.17 177.65 2jys h SER 25 N 7.59 0.18 0.10 -0.34 4.64 -1.94 0.12 113.55 123.90 2jys h SER 25 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2jys h SER 25 Cb 0.98 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2jys h SER 25 CO 0.45 0.11 -0.06 1.23 -0.87 0.00 0.00 176.83 177.69 2jys h GLY 26 N 0.20 0.00 -3.80 -0.77 0.00 -1.95 -3.42 103.07 93.34 2jys h GLY 26 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.06 2jys h GLY 26 CO -0.04 0.00 0.35 0.00 0.00 0.00 0.00 176.54 176.85 2jys s ALA 27 N -4.69 3.33 -1.75 3.60 0.00 0.41 -4.94 121.76 117.72 2jys s ALA 27 Ca -0.04 0.62 0.19 0.00 0.00 0.00 0.00 51.96 52.72 2jys s ALA 27 Cb 0.15 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2jys s ALA 27 CO 0.62 0.18 0.96 0.25 0.00 0.00 0.00 175.76 177.77 2jys n THR 28 N 1.66 0.00 -3.88 0.00 -2.24 -1.26 -4.15 114.28 104.40 2jys n THR 28 Ca -0.01 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 2jys n THR 28 Cb 0.47 1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -2.08 0.08 0.37 2.28 2.07 -1.26 -4.80 121.20 117.86 2jys s ILE 29 Ca 0.16 -0.69 -0.28 0.00 -1.41 0.00 0.00 60.65 58.43 2jys s ILE 29 Cb 0.15 -0.40 -0.11 0.00 0.13 0.00 0.00 42.46 42.24 2jys s ILE 29 CO 0.45 -0.38 1.48 -0.89 -1.91 0.00 0.00 174.94 173.69 2jys s THR 30 N -1.32 2.12 -0.02 4.00 2.01 -1.22 -4.47 115.64 116.74 2jys s THR 30 Ca -0.14 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.04 2jys s THR 30 Cb -0.08 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2jys s THR 30 CO 0.01 0.03 -0.21 0.00 -0.69 0.00 0.00 174.62 173.75 2jys s VAL 32 N -0.51 0.09 -0.02 0.00 -7.23 -0.44 0.12 120.40 112.41 2jys s VAL 32 Ca 0.08 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2jys s VAL 32 Cb -0.08 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2jys s VAL 32 CO -0.01 -0.40 1.06 -2.16 -0.31 0.00 0.00 175.10 173.28 2jys s PRO 33 N -4.05 4.47 0.58 4.82 0.04 -1.23 -0.24 135.00 139.39 2jys s PRO 33 Ca 0.25 1.51 0.40 0.00 0.04 0.00 0.00 61.00 63.20 2jys s PRO 33 Cb 0.07 -3.47 1.44 0.00 0.04 0.00 0.00 34.50 32.57 2jys s PRO 33 CO 0.03 -0.21 1.53 1.49 0.04 0.00 0.00 177.00 179.87 2jys h GLU 34 N 6.97 0.00 -0.72 4.56 4.81 -1.82 1.00 114.58 129.37 2jys h GLU 34 Ca -0.38 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2jys h GLU 34 Cb 1.19 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2jys h GLU 34 CO 0.81 0.00 0.51 0.00 -0.73 0.00 0.00 179.01 179.59 2jys h ALA 35 N 0.92 2.48 0.00 2.92 0.00 -1.90 0.68 119.26 124.37 2jys h ALA 35 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2jys h ALA 35 Cb 3.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.99 2jys h ALA 35 CO -0.01 -0.69 -0.48 1.19 0.00 0.00 0.00 179.25 179.27 2jys n PHE 36 N -4.39 0.10 0.59 0.00 3.01 0.34 -3.70 117.46 113.42 2jys n PHE 36 Ca 0.14 0.03 0.08 0.00 1.01 0.00 0.00 57.45 58.71 2jys n PHE 36 Cb 0.70 -0.35 0.08 0.00 -0.01 0.00 0.00 39.48 39.90 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 -1.61 2.43 0.06 4.37 4.32 0.21 -4.46 117.00 122.32 2jys n LEU 37 Ca 0.05 -1.09 0.21 0.00 -0.02 0.00 0.00 56.01 55.17 2jys n LEU 37 Cb 0.36 -0.03 0.72 0.00 -1.62 0.00 0.00 43.42 42.85 2jys n LEU 37 CO 0.34 0.45 1.19 -0.08 -1.22 0.00 0.00 177.39 178.08 2jys h GLU 38 N 3.15 0.00 0.00 3.23 4.81 -0.81 0.30 114.58 125.25 2jys h GLU 38 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jys h GLU 38 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2jys h GLU 38 CO 0.00 0.00 -0.20 -0.25 -0.73 0.00 0.00 179.01 177.83 2jys n ASP 39 N -3.68 2.03 -4.95 1.04 8.00 -1.26 -5.04 116.55 112.70 2jys n ASP 39 Ca 0.09 -3.31 -0.25 0.00 0.71 0.00 0.00 54.79 52.03 2jys n ASP 39 Cb 0.70 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2jys n ASP 39 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jys s GLU 40 N -2.86 3.47 -0.11 -1.24 0.41 0.11 -5.10 118.70 113.38 2jys s GLU 40 Ca 0.33 -0.51 0.03 0.00 -0.41 0.00 0.00 54.97 54.40 2jys s GLU 40 Cb 0.30 -2.85 -0.00 0.00 -1.78 0.00 0.00 34.13 29.80 2jys s GLU 40 CO -0.01 0.40 -0.20 1.03 -0.49 0.00 0.00 175.26 175.98 2jys s ARG 41 N -3.65 3.14 -0.04 1.61 0.52 -1.26 -5.03 118.95 114.24 2jys s ARG 41 Ca 0.37 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 2jys s ARG 41 Cb -0.10 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 2jys s ARG 41 CO 0.30 0.16 1.31 -1.25 0.02 0.00 0.00 175.30 175.85 2jys s PRO 42 N 0.41 4.30 0.12 3.54 0.04 -1.26 -4.43 135.00 137.72 2jys s PRO 42 Ca -0.15 1.83 0.10 0.00 0.04 0.00 0.00 61.00 62.81 2jys s PRO 42 Cb -0.17 -3.60 -0.16 0.00 0.04 0.00 0.00 34.50 30.61 2jys s PRO 42 CO 0.07 -0.54 1.21 -0.84 0.04 0.00 0.00 177.00 176.93 2jys h ILE 43 N 5.03 1.41 -4.16 0.56 3.07 -1.88 -3.48 117.51 118.06 2jys h ILE 43 Ca -0.35 -3.07 -0.28 0.00 1.55 0.00 0.00 64.86 62.71 2jys h ILE 43 Cb 1.16 2.69 -0.08 0.00 -0.27 0.00 0.00 36.82 40.32 2jys h ILE 43 CO 0.90 0.80 -0.22 -1.10 -1.05 0.00 0.00 178.15 177.49 2jys s GLN 44 N -2.75 1.87 0.10 0.16 -0.21 -1.26 -5.04 119.66 112.55 2jys s GLN 44 Ca 0.01 -1.75 0.10 0.00 0.02 0.00 0.00 55.36 53.73 2jys s GLN 44 Cb 0.09 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.50 2jys s GLN 44 CO 0.81 -0.77 -0.23 0.95 -2.12 0.00 0.00 175.29 173.92 2jys s THR 45 N -3.14 2.46 0.07 -0.19 -4.23 -1.26 -0.79 115.64 108.56 2jys s THR 45 Ca 0.31 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 2jys s THR 45 Cb -0.00 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 2jys s THR 45 CO 0.20 0.16 -0.16 -0.04 -0.54 0.00 0.00 174.62 174.25 2jys s MET 46 N -1.89 0.91 -0.20 3.99 -1.94 0.11 -4.76 119.30 115.52 2jys s MET 46 Ca 0.15 -0.97 -0.09 0.00 -1.71 0.00 0.00 55.69 53.07 2jys s MET 46 Cb -0.10 -0.97 -0.05 0.00 2.01 0.00 0.00 34.83 35.72 2jys s MET 46 CO 0.06 0.22 0.10 -1.17 -0.01 0.00 0.00 175.02 174.23 2jys s LEU 47 N -1.68 3.99 -0.08 -0.03 1.98 -1.26 -1.42 118.68 120.19 2jys s LEU 47 Ca 0.00 0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.39 2jys s LEU 47 Cb -0.10 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.70 2jys s LEU 47 CO 0.02 0.15 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.91 2jys s ILE 48 N 0.52 3.46 -0.08 6.68 -1.09 0.37 -4.92 121.20 126.14 2jys s ILE 48 Ca 0.06 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2jys s ILE 48 Cb -0.12 -2.41 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 2jys s ILE 48 CO 0.00 0.58 -0.23 -0.75 -1.23 0.00 0.00 174.94 173.32 2jys s LYS 49 N -0.57 2.64 0.16 2.79 2.20 -1.26 0.21 119.74 125.91 2jys s LYS 49 Ca 0.08 -0.82 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2jys s LYS 49 Cb -0.12 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 34.06 2jys s LYS 49 CO 0.02 0.24 -0.16 0.95 -0.36 0.00 0.00 175.35 176.04 2jys s THR 50 N 0.17 1.64 0.35 3.43 -4.23 0.17 -4.92 115.64 112.26 2jys s THR 50 Ca -0.12 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2jys s THR 50 Cb -0.16 -1.79 0.28 0.00 1.34 0.00 0.00 72.50 72.17 2jys s THR 50 CO 0.06 -0.41 1.97 -0.29 -0.54 0.00 0.00 174.62 175.40 2jys h ILE 51 N 3.17 1.07 -0.17 2.99 2.10 -2.03 -2.17 117.51 122.47 2jys h ILE 51 Ca -0.40 -0.29 -0.05 0.00 1.08 0.00 0.00 64.86 65.20 2jys h ILE 51 Cb 1.21 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 37.09 2jys h ILE 51 CO 0.53 0.15 -0.10 -0.74 -1.08 0.00 0.00 178.15 176.92 2jys h HIS 52 N 0.84 0.43 -1.42 2.19 2.76 -2.04 -3.48 115.15 114.42 2jys h HIS 52 Ca 0.30 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2jys h HIS 52 Cb 0.14 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2jys h HIS 52 CO -0.00 0.69 0.00 0.41 -1.30 0.00 0.00 177.93 177.73 2jys n GLY 53 N 0.03 1.63 3.40 5.26 0.00 -0.81 -5.15 105.19 109.53 2jys n GLY 53 Ca -0.05 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.29 3.45 0.07 1.61 8.01 -1.26 0.46 118.70 129.75 2jys s GLU 54 Ca 0.00 -0.65 0.08 0.00 0.01 0.00 0.00 54.97 54.41 2jys s GLU 54 Cb 0.00 -2.69 -0.03 0.00 -4.31 0.00 0.00 34.13 27.10 2jys s GLU 54 CO 0.00 0.22 -0.21 0.15 0.01 0.00 0.00 175.26 175.43 2jys s LYS 55 N 0.36 1.25 -0.08 1.61 1.02 0.13 -4.93 119.74 119.10 2jys s LYS 55 Ca -0.09 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 54.89 2jys s LYS 55 Cb -0.16 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2jys s LYS 55 CO 0.05 0.35 -0.24 -1.14 -0.92 0.00 0.00 175.35 173.45 2jys s GLN 56 N -1.56 2.73 0.20 1.68 0.74 -1.26 0.14 119.66 122.33 2jys s GLN 56 Ca 0.07 -0.88 0.06 0.00 0.05 0.00 0.00 55.36 54.66 2jys s GLN 56 Cb -0.09 -2.19 -0.05 0.00 1.10 0.00 0.00 33.01 31.78 2jys s GLN 56 CO 0.03 0.28 -0.10 -0.65 -0.55 0.00 0.00 175.29 174.30 2jys s GLN 57 N 0.08 1.26 -0.06 1.67 -0.21 -0.51 -4.89 119.66 117.00 2jys s GLN 57 Ca -0.11 -1.57 -0.08 0.00 0.02 0.00 0.00 55.36 53.62 2jys s GLN 57 Cb -0.16 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.93 2jys s GLN 57 CO 0.06 0.09 0.22 -0.51 -2.12 0.00 0.00 175.29 173.03 2jys s ASP 58 N -3.28 6.49 0.59 5.90 1.01 -1.26 0.06 116.67 126.19 2jys s ASP 58 Ca 0.22 0.57 -0.13 0.00 0.71 0.00 0.00 52.55 53.93 2jys s ASP 58 Cb 0.02 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 2jys s ASP 58 CO 0.05 0.35 1.02 0.54 0.21 0.00 0.00 175.17 177.34 2jys s VAL 59 N -1.12 4.66 -0.03 -1.27 0.11 0.03 -4.78 120.40 118.00 2jys s VAL 59 Ca 0.20 0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 60.21 2jys s VAL 59 Cb -0.13 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2jys s VAL 59 CO 0.09 -1.02 0.04 -0.31 -3.33 0.00 0.00 175.10 170.57 2jys s TYR 60 N -3.03 0.10 -0.46 1.54 1.51 -0.74 -2.66 117.35 113.61 2jys s TYR 60 Ca 0.56 0.18 -0.25 0.00 -1.01 0.00 0.00 57.07 56.55 2jys s TYR 60 Cb -0.11 -0.42 0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2jys s TYR 60 CO 0.48 -0.16 0.89 -0.47 -1.11 0.00 0.00 175.55 175.17 2jys s TYR 61 N 1.76 2.94 0.29 2.71 5.04 -1.26 0.13 117.35 128.96 2jys s TYR 61 Ca -0.00 0.34 0.10 0.00 -2.44 0.00 0.00 57.07 55.07 2jys s TYR 61 Cb -0.12 -3.88 -0.05 0.00 0.35 0.00 0.00 41.96 38.25 2jys s TYR 61 CO -0.03 -1.06 -0.05 -0.51 -1.34 0.00 0.00 175.55 172.56 2jys s LEU 62 N 3.63 2.97 -0.14 6.97 1.43 -0.27 -4.94 118.68 128.33 2jys s LEU 62 Ca 0.35 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2jys s LEU 62 Cb -0.11 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.69 2jys s LEU 62 CO 0.25 -0.07 -0.20 -0.89 0.23 0.00 0.00 176.35 175.67 2jys s THR 63 N -2.44 1.93 0.09 5.49 2.01 -1.26 -1.97 115.64 119.49 2jys s THR 63 Ca 0.32 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 2jys s THR 63 Cb -0.04 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2jys s THR 63 CO 0.18 0.52 0.16 0.72 -0.69 0.00 0.00 174.62 175.52 2jys s PHE 64 N 0.94 0.23 -0.15 4.92 -0.71 -0.81 -3.77 117.98 118.62 2jys s PHE 64 Ca -0.05 -0.67 -0.20 0.00 -1.04 0.00 0.00 56.93 54.97 2jys s PHE 64 Cb -0.15 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 2jys s PHE 64 CO -0.04 -0.53 0.57 0.15 -1.34 0.00 0.00 175.22 174.03 2jys s LYS 65 N -3.88 4.29 -0.46 1.99 -0.14 0.66 -1.25 119.74 120.95 2jys s LYS 65 Ca 0.06 0.57 -0.11 0.00 -1.36 0.00 0.00 55.97 55.12 2jys s LYS 65 Cb 0.05 -3.51 0.09 0.00 -1.68 0.00 0.00 37.83 32.79 2jys s LYS 65 CO -0.10 -0.05 0.34 0.08 -0.76 0.00 0.00 175.35 174.86 2jys s VAL 66 N 1.26 4.55 -1.37 3.17 1.01 0.32 -1.53 120.40 127.82 2jys s VAL 66 Ca 0.28 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 2jys s VAL 66 Cb -0.16 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2jys s VAL 66 CO 0.11 -0.63 0.52 0.00 0.00 0.00 0.00 175.10 175.10 2jys n GLN 67 N 5.01 -4.24 -1.69 2.72 6.02 -0.98 -2.19 117.38 122.02 2jys n GLN 67 Ca -0.10 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 2jys n GLN 67 Cb 0.42 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.26 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 -1.42 0.68 2.76 1.08 0.00 -1.26 -5.05 105.19 101.97 2jys n GLY 68 Ca -0.10 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.54 0.49 -0.05 1.61 0.52 -0.93 -5.10 118.95 111.95 2jys s ARG 69 Ca 0.00 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 2jys s ARG 69 Cb 0.00 -0.88 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 2jys s ARG 69 CO 0.00 -0.30 1.63 0.21 0.02 0.00 0.00 175.30 176.86 2jys s LYS 70 N 1.95 4.19 -0.04 3.54 2.20 -1.26 0.12 119.74 130.43 2jys s LYS 70 Ca 0.04 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 57.80 2jys s LYS 70 Cb -0.12 -3.94 0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2jys s LYS 70 CO -0.05 -0.82 0.09 0.08 -0.36 0.00 0.00 175.35 174.29 2jys s VAL 71 N 3.88 -0.04 -0.07 4.02 1.01 -0.38 -4.90 120.40 123.91 2jys s VAL 71 Ca 0.72 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.90 2jys s VAL 71 Cb -0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2jys s VAL 71 CO 0.29 0.07 -0.18 -1.61 0.00 0.00 0.00 175.10 173.67 2jys s GLU 72 N 0.93 2.69 0.32 2.72 2.02 -1.26 -1.93 118.70 124.19 2jys s GLU 72 Ca -0.07 -0.76 -0.12 0.00 0.02 0.00 0.00 54.97 54.03 2jys s GLU 72 Cb -0.10 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.82 2jys s GLU 72 CO -0.04 0.46 0.66 0.00 0.02 0.00 0.00 175.26 176.36 2jys n ALA 73 N 2.76 -1.49 -1.83 5.21 0.00 -0.83 -5.00 120.51 119.34 2jys n ALA 73 Ca -0.17 -1.03 -0.32 0.00 0.00 0.00 0.00 53.44 51.91 2jys n ALA 73 Cb 0.52 0.81 -0.04 0.00 0.00 0.00 0.00 19.45 20.74 2jys n ALA 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jys s GLU 74 N -2.07 4.02 0.05 0.00 2.02 -1.26 -1.11 118.70 120.35 2jys s GLU 74 Ca 0.13 1.03 -0.05 0.00 0.02 0.00 0.00 54.97 56.10 2jys s GLU 74 Cb -0.04 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2jys s GLU 74 CO 0.10 -0.21 0.08 0.08 0.02 0.00 0.00 175.26 175.33 2jys s VAL 75 N -2.45 0.15 0.08 2.63 1.01 0.35 -3.43 120.40 118.74 2jys s VAL 75 Ca 0.60 -1.27 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2jys s VAL 75 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2jys s VAL 75 CO 0.25 -0.70 -0.24 -0.76 0.00 0.00 0.00 175.10 173.64 2jys s LEU 76 N -2.44 2.24 0.23 3.92 1.43 -0.81 -1.80 118.68 121.45 2jys s LEU 76 Ca -0.00 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2jys s LEU 76 Cb 0.02 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.03 2jys s LEU 76 CO -0.07 0.18 0.94 0.00 0.23 0.00 0.00 176.35 177.63 2jys s ALA 77 N -0.95 3.33 0.01 4.21 0.00 -1.26 -1.33 121.76 125.77 2jys s ALA 77 Ca 0.11 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.63 2jys s ALA 77 Cb -0.10 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2jys s ALA 77 CO 0.04 0.19 0.11 0.45 0.00 0.00 0.00 175.76 176.55 2jys s SER 78 N -1.10 0.08 0.00 0.00 0.15 0.67 -4.81 113.70 108.69 2jys s SER 78 Ca 0.41 -0.30 0.15 0.00 0.70 0.00 0.00 55.95 56.91 2jys s SER 78 Cb -0.26 0.19 0.90 0.00 -1.71 0.00 0.00 66.02 65.14 2jys s SER 78 CO 0.32 -0.39 1.32 -0.81 1.20 0.00 0.00 173.24 174.89 2jys n PRO 79 N 1.34 0.57 -1.19 5.44 -0.04 -1.26 -2.78 135.00 137.08 2jys n PRO 79 Ca -0.22 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 2jys n PRO 79 Cb 0.56 -1.41 0.12 0.00 -0.04 0.00 0.00 33.50 32.73 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 2.39 -0.24 0.54 2.02 -1.26 -4.94 117.35 113.85 2jys s TYR 80 Ca 0.23 1.42 0.15 0.00 -0.37 0.00 0.00 57.07 58.50 2jys s TYR 80 Cb 0.10 -3.12 0.71 0.00 -0.40 0.00 0.00 41.96 39.26 2jys s TYR 80 CO 0.17 -2.17 1.62 -0.40 -1.57 0.00 0.00 175.55 173.21 2jys n ASP 81 N -3.75 5.02 -0.24 2.29 5.68 -1.26 -4.48 116.55 119.81 2jys n ASP 81 Ca 0.08 -2.95 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 2jys n ASP 81 Cb 0.54 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 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 0.20 -0.01 -4.30 2.11 4.11 -1.26 -4.99 117.16 113.03 2jys n TYR 82 Ca 0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.93 2jys n TYR 82 Cb 1.08 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 40.30 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 -1.29 1.72 -0.15 -3.48 1.01 -1.08 -3.56 121.20 114.37 2jys s ILE 83 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 60.65 58.98 2jys s ILE 83 Cb 0.00 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2jys s ILE 83 CO 0.00 -0.18 -0.19 -0.76 0.00 0.00 0.00 174.94 173.81 2jys s LEU 84 N -2.21 2.26 0.03 2.97 1.43 0.33 0.68 118.68 124.17 2jys s LEU 84 Ca 0.10 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2jys s LEU 84 Cb -0.08 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 2jys s LEU 84 CO 0.05 0.07 0.44 -0.76 0.23 0.00 0.00 176.35 176.39 2jys s LEU 85 N 0.87 4.47 -0.04 1.79 2.01 -0.66 -0.23 118.68 126.90 2jys s LEU 85 Ca -0.05 1.01 -0.18 0.00 0.01 0.00 0.00 54.13 54.92 2jys s LEU 85 Cb -0.15 -2.71 -0.05 0.00 0.01 0.00 0.00 46.19 43.29 2jys s LEU 85 CO -0.02 0.29 0.51 0.21 1.01 0.00 0.00 176.35 178.35 2jys s ASN 86 N -1.18 6.85 0.43 2.29 2.47 -1.26 -3.14 114.94 121.41 2jys s ASN 86 Ca 0.26 1.01 0.14 0.00 0.42 0.00 0.00 52.86 54.69 2jys s ASN 86 Cb -0.17 -2.31 0.95 0.00 -1.45 0.00 0.00 41.25 38.27 2jys s ASN 86 CO 0.15 0.13 1.97 1.55 -3.72 0.00 0.00 177.10 177.18 2jys h PRO 87 N 5.71 0.04 0.00 0.43 0.13 -1.78 -1.46 132.00 135.06 2jys h PRO 87 Ca -0.46 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2jys h PRO 87 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jys h PRO 87 CO 0.69 0.22 -0.72 1.03 -0.23 0.00 0.00 178.00 179.00 2jys h SER 88 N 0.03 0.00 0.76 1.44 0.87 -1.87 -3.14 113.55 111.64 2jys h SER 88 Ca 0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 2jys h SER 88 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jys h SER 88 CO 0.02 0.72 -1.15 0.44 -0.53 0.00 0.00 176.83 176.33 2jys h ASP 89 N 0.00 0.28 -2.77 6.23 3.32 -1.75 -3.38 116.42 118.35 2jys h ASP 89 Ca -0.01 -0.29 -0.62 0.00 0.02 0.00 0.00 57.03 56.13 2jys h ASP 89 Cb 1.34 -0.09 -0.42 0.00 0.22 0.00 0.00 39.33 40.38 2jys h ASP 89 CO 0.09 1.23 -0.55 1.33 -1.72 0.00 0.00 179.24 179.62 2jys n VAL 90 N -3.47 1.99 0.26 -1.35 0.24 -0.61 -4.88 118.33 110.50 2jys n VAL 90 Ca -0.05 -5.02 0.14 0.00 -2.04 0.00 0.00 64.34 57.37 2jys n VAL 90 Cb 0.99 -2.16 0.61 0.00 -1.47 0.00 0.00 33.84 31.81 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 4.97 0.00 0.00 7.34 0.13 -1.73 -2.78 132.00 139.93 2jys h PRO 91 Ca 0.17 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 2jys h PRO 91 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2jys h PRO 91 CO 0.77 0.10 -0.46 0.11 -0.23 0.00 0.00 178.00 178.29 2jys h TRP 92 N 0.00 0.00 -0.01 1.56 0.09 -1.89 -3.08 115.95 112.63 2jys h TRP 92 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.89 2jys h TRP 92 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.81 2jys h TRP 92 CO 0.00 0.46 -0.42 -0.07 0.09 0.00 0.00 178.44 178.51 2jys h LEU 93 N 0.00 0.02 -1.35 0.11 3.38 -1.87 -2.78 115.31 112.82 2jys h LEU 93 Ca -0.00 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.12 2jys h LEU 93 Cb 1.17 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2jys h LEU 93 CO 0.06 0.43 0.58 0.24 0.09 0.00 0.00 178.44 179.84 2jys h MET 94 N 0.01 0.58 -4.79 1.13 2.86 -1.63 -3.40 114.93 109.69 2jys h MET 94 Ca -0.00 -0.03 -0.43 0.00 -2.06 0.00 0.00 59.70 57.18 2jys h MET 94 Cb 0.74 -0.13 -0.30 0.00 0.06 0.00 0.00 31.60 31.98 2jys h MET 94 CO 0.05 0.38 -0.79 -1.59 1.06 0.00 0.00 176.91 176.03 2jys s LYS 95 N -5.60 0.91 0.27 1.72 -2.85 -1.05 -5.15 119.74 107.99 2jys s LYS 95 Ca -0.09 -0.35 0.11 0.00 -1.00 0.00 0.00 55.97 54.63 2jys s LYS 95 Cb 0.22 -0.87 -0.05 0.00 -2.06 0.00 0.00 37.83 35.08 2jys s LYS 95 CO 0.79 0.18 -0.18 -1.59 0.10 0.00 0.00 175.35 174.65 2jys s LYS 96 N -0.08 1.63 0.68 1.78 -2.85 -1.26 -4.85 119.74 114.79 2jys s LYS 96 Ca 0.01 -1.75 -0.14 0.00 -1.00 0.00 0.00 55.97 53.09 2jys s LYS 96 Cb -0.06 -1.64 0.01 0.00 -2.06 0.00 0.00 37.83 34.09 2jys s LYS 96 CO -0.00 0.28 1.11 -1.25 0.10 0.00 0.00 175.35 175.59 2jys s PRO 97 N -3.55 2.67 0.00 1.78 0.04 -1.26 -5.19 135.00 129.49 2jys s PRO 97 Ca 0.29 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2jys s PRO 97 Cb -0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2jys s PRO 97 CO 0.14 -1.35 0.00 -0.11 0.04 0.00 0.00 177.00 175.72