#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 3.06 0.47 -1.09 0.04 -1.26 -4.97 135.00 131.24 2jys s PRO 9 Ca 0.00 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 2jys s PRO 9 Cb 0.00 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2jys s PRO 9 CO 0.00 -1.05 0.63 1.28 0.04 0.00 0.00 177.00 177.90 2jys n LEU 10 N -1.95 0.00 -4.46 -3.56 4.77 0.31 -4.73 117.00 107.37 2jys n LEU 10 Ca 0.11 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 55.07 2jys n LEU 10 Cb 0.52 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 2jys n LEU 10 CO 0.46 -0.96 -0.44 -0.70 -1.33 0.00 0.00 177.39 174.41 2jys s GLU 11 N -4.37 2.78 -0.09 3.23 2.12 -1.26 -1.44 118.70 119.67 2jys s GLU 11 Ca 0.36 -0.67 -0.11 0.00 0.36 0.00 0.00 54.97 54.90 2jys s GLU 11 Cb -0.01 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 31.93 2jys s GLU 11 CO 0.25 0.51 0.29 0.00 -0.54 0.00 0.00 175.26 175.78 2jys s ALA 12 N -0.44 -0.72 -0.19 6.30 0.00 -0.80 -1.77 121.76 124.14 2jys s ALA 12 Ca 0.05 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2jys s ALA 12 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2jys s ALA 12 CO 0.02 -0.16 -0.17 -2.00 0.00 0.00 0.00 175.76 173.44 2jys s GLU 13 N -0.18 2.75 -0.16 0.00 2.12 -0.19 -1.07 118.70 121.97 2jys s GLU 13 Ca -0.03 -0.89 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 2jys s GLU 13 Cb -0.03 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 2jys s GLU 13 CO 0.01 -0.28 -0.04 0.42 -0.54 0.00 0.00 175.26 174.82 2jys s ILE 14 N 1.28 3.82 -1.47 -3.70 1.01 0.36 -0.01 121.20 122.50 2jys s ILE 14 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2jys s ILE 14 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2jys s ILE 14 CO -0.11 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.61 2jys n LYS 15 N 3.59 -1.68 0.00 2.79 5.02 -1.25 0.10 118.16 126.74 2jys n LYS 15 Ca -0.17 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2jys n LYS 15 Cb 0.52 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 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 -0.57 1.63 3.69 0.72 0.00 -1.26 -5.02 105.19 104.39 2jys n GLY 16 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.46 4.82 -0.15 2.61 2.01 0.28 -5.01 115.64 117.75 2jys s THR 17 Ca 0.00 2.02 -0.24 0.00 0.31 0.00 0.00 61.69 63.78 2jys s THR 17 Cb 0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2jys s THR 17 CO 0.00 0.06 0.76 -0.75 -0.69 0.00 0.00 174.62 174.00 2jys s LYS 18 N 1.67 4.31 0.05 4.92 2.20 -1.26 -0.48 119.74 131.14 2jys s LYS 18 Ca 0.49 0.90 -0.09 0.00 -0.36 0.00 0.00 55.97 56.91 2jys s LYS 18 Cb -0.19 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2jys s LYS 18 CO 0.21 -0.21 0.18 -0.51 -0.36 0.00 0.00 175.35 174.65 2jys s LEU 19 N 1.76 1.46 0.47 5.43 1.02 -0.23 -4.99 118.68 123.60 2jys s LEU 19 Ca 0.36 -0.46 -0.19 0.00 0.02 0.00 0.00 54.13 53.86 2jys s LEU 19 Cb -0.17 0.91 -0.09 0.00 0.02 0.00 0.00 46.19 46.86 2jys s LEU 19 CO 0.13 -0.59 0.96 -0.54 0.02 0.00 0.00 176.35 176.34 2jys s LYS 20 N -2.88 4.09 0.23 1.70 1.02 -1.26 -1.91 119.74 120.73 2jys s LYS 20 Ca -0.03 1.03 0.00 0.00 0.02 0.00 0.00 55.97 56.99 2jys s LYS 20 Cb 0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 2jys s LYS 20 CO -0.06 -0.14 0.10 0.00 -0.92 0.00 0.00 175.35 174.34 2jys s ALA 21 N -2.39 1.45 -0.02 5.17 0.00 -0.52 -3.68 121.76 121.77 2jys s ALA 21 Ca 0.60 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.84 2jys s ALA 21 Cb -0.09 1.16 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 2jys s ALA 21 CO 0.22 -0.51 -0.16 -1.01 0.00 0.00 0.00 175.76 174.30 2jys s HIS 22 N -3.93 1.48 -0.37 0.00 3.76 -0.86 0.11 115.29 115.49 2jys s HIS 22 Ca 0.37 -0.32 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 2jys s HIS 22 Cb 0.07 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.80 2jys s HIS 22 CO 0.12 -0.06 0.63 -0.46 -0.85 0.00 0.00 174.74 174.13 2jys s TRP 23 N -0.27 3.14 -0.34 1.40 -0.00 -1.26 -1.01 118.94 120.61 2jys s TRP 23 Ca 0.04 0.29 0.03 0.00 -0.00 0.00 0.00 56.10 56.46 2jys s TRP 23 Cb -0.07 -3.16 0.10 0.00 -0.00 0.00 0.00 33.47 30.34 2jys s TRP 23 CO -0.00 -0.65 0.05 0.34 -0.00 0.00 0.00 176.95 176.69 2jys s ASP 24 N 1.82 4.67 0.57 5.86 2.15 -1.10 -4.94 116.67 125.70 2jys s ASP 24 Ca 0.24 -2.08 0.28 0.00 0.43 0.00 0.00 52.55 51.42 2jys s ASP 24 Cb -0.14 -1.53 1.71 0.00 -0.30 0.00 0.00 42.92 42.66 2jys s ASP 24 CO 0.15 -0.38 2.22 0.77 -0.17 0.00 0.00 175.17 177.76 2jys h SER 25 N 7.67 0.00 -0.86 -0.34 4.64 -1.95 -2.05 113.55 120.66 2jys h SER 25 Ca -0.05 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2jys h SER 25 Cb 1.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2jys h SER 25 CO 0.51 0.02 0.55 1.23 -0.87 0.00 0.00 176.83 178.28 2jys h GLY 26 N 0.14 1.25 -3.70 -0.77 0.00 -1.93 -3.42 103.07 94.64 2jys h GLY 26 Ca -0.00 -0.42 -0.52 0.00 0.00 0.00 0.00 47.33 46.39 2jys h GLY 26 CO 0.00 0.36 0.60 0.00 0.00 0.00 0.00 176.54 177.50 2jys s ALA 27 N -6.10 3.40 -0.97 3.60 0.00 -0.77 -4.92 121.76 116.01 2jys s ALA 27 Ca -0.13 1.19 0.21 0.00 0.00 0.00 0.00 51.96 53.23 2jys s ALA 27 Cb 0.17 -3.45 -0.20 0.00 0.00 0.00 0.00 23.12 19.63 2jys s ALA 27 CO 0.79 -0.62 0.91 0.25 0.00 0.00 0.00 175.76 177.09 2jys n THR 28 N 0.62 0.00 -4.11 0.00 -2.24 -1.26 -4.19 114.28 103.11 2jys n THR 28 Ca 0.01 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2jys n THR 28 Cb 0.43 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 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 -3.01 0.32 0.65 2.28 2.07 -1.26 -4.77 121.20 117.48 2jys s ILE 29 Ca 0.08 -1.82 -0.16 0.00 -1.41 0.00 0.00 60.65 57.33 2jys s ILE 29 Cb 0.16 -1.53 -0.01 0.00 0.13 0.00 0.00 42.46 41.21 2jys s ILE 29 CO 0.86 -0.96 1.15 -0.89 -1.91 0.00 0.00 174.94 173.19 2jys s THR 30 N -3.80 2.94 -0.14 4.00 2.01 -1.21 -4.39 115.64 115.05 2jys s THR 30 Ca 0.08 0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2jys s THR 30 Cb 0.07 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2jys s THR 30 CO -0.09 -0.22 -0.04 0.00 -0.69 0.00 0.00 174.62 173.58 2jys s VAL 32 N 1.75 3.16 0.07 0.00 1.01 0.22 -0.73 120.40 125.89 2jys s VAL 32 Ca 0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 2jys s VAL 32 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2jys s VAL 32 CO -0.07 0.22 1.06 -2.16 0.00 0.00 0.00 175.10 174.15 2jys s PRO 33 N -1.86 4.56 0.58 2.72 0.04 -1.25 -1.06 135.00 138.72 2jys s PRO 33 Ca 0.18 1.59 0.38 0.00 0.04 0.00 0.00 61.00 63.19 2jys s PRO 33 Cb -0.11 -3.37 1.36 0.00 0.04 0.00 0.00 34.50 32.42 2jys s PRO 33 CO 0.10 -0.04 1.51 1.49 0.04 0.00 0.00 177.00 180.10 2jys h GLU 34 N 6.23 0.00 -0.95 4.56 4.81 -1.82 0.73 114.58 128.14 2jys h GLU 34 Ca -0.42 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.07 2jys h GLU 34 Cb 1.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 2jys h GLU 34 CO 0.76 0.00 0.67 0.00 -0.73 0.00 0.00 179.01 179.70 2jys h ALA 35 N 0.88 2.70 -0.02 2.92 0.00 -1.90 0.83 119.26 124.67 2jys h ALA 35 Ca 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2jys h ALA 35 Cb 3.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.94 2jys h ALA 35 CO -0.01 -0.99 -0.30 1.19 0.00 0.00 0.00 179.25 179.14 2jys n PHE 36 N -4.34 0.00 -0.44 0.00 3.72 0.25 -4.10 117.46 112.56 2jys n PHE 36 Ca 0.20 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.67 2jys n PHE 36 Cb 0.95 -0.01 0.19 0.00 -0.94 0.00 0.00 39.48 39.66 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jys n LEU 37 N 0.31 3.23 0.31 4.37 4.32 0.28 -4.54 117.00 125.27 2jys n LEU 37 Ca 0.11 -2.33 0.19 0.00 -0.02 0.00 0.00 56.01 53.96 2jys n LEU 37 Cb 0.49 -0.33 1.03 0.00 -1.62 0.00 0.00 43.42 42.99 2jys n LEU 37 CO 0.24 0.71 1.14 -0.33 -1.22 0.00 0.00 177.39 177.92 2jys h GLU 38 N 1.93 0.00 0.00 3.23 4.39 -1.33 -1.95 114.58 120.84 2jys h GLU 38 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2jys h GLU 38 Cb 0.96 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.49 2jys h GLU 38 CO 0.07 0.01 -0.59 -0.25 -1.16 0.00 0.00 179.01 177.09 2jys n ASP 39 N -3.43 1.39 -4.98 1.42 8.00 -1.26 -5.06 116.55 112.63 2jys n ASP 39 Ca -0.03 -2.97 -0.20 0.00 0.71 0.00 0.00 54.79 52.30 2jys n ASP 39 Cb 0.10 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.81 3.30 -0.08 -1.24 0.41 -0.74 -5.11 118.70 113.43 2jys s GLU 40 Ca 0.32 -0.83 0.03 0.00 -0.41 0.00 0.00 54.97 54.08 2jys s GLU 40 Cb 0.32 -2.84 0.01 0.00 -1.78 0.00 0.00 34.13 29.84 2jys s GLU 40 CO -0.08 0.24 -0.17 -0.98 -0.49 0.00 0.00 175.26 173.78 2jys s ARG 41 N -4.10 2.29 -0.06 1.61 1.70 -1.26 -5.04 118.95 114.09 2jys s ARG 41 Ca 0.39 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2jys s ARG 41 Cb -0.09 -1.82 -0.04 0.00 -0.57 0.00 0.00 34.95 32.43 2jys s ARG 41 CO 0.31 0.07 1.30 -1.25 -1.08 0.00 0.00 175.30 174.65 2jys s PRO 42 N 0.58 4.30 0.05 3.89 0.04 -1.26 -4.40 135.00 138.20 2jys s PRO 42 Ca -0.15 1.79 0.06 0.00 0.04 0.00 0.00 61.00 62.74 2jys s PRO 42 Cb -0.17 -3.63 -0.23 0.00 0.04 0.00 0.00 34.50 30.52 2jys s PRO 42 CO 0.05 -0.56 1.03 -0.84 0.04 0.00 0.00 177.00 176.72 2jys h ILE 43 N 5.10 1.37 -4.51 0.56 3.07 -1.83 -3.48 117.51 117.80 2jys h ILE 43 Ca -0.34 -3.10 -0.32 0.00 1.55 0.00 0.00 64.86 62.65 2jys h ILE 43 Cb 1.16 2.72 -0.12 0.00 -0.27 0.00 0.00 36.82 40.31 2jys h ILE 43 CO 0.91 0.81 -0.42 0.00 -1.05 0.00 0.00 178.15 178.40 2jys s GLN 44 N -2.66 1.62 0.14 0.16 -2.07 -1.24 -5.03 119.66 110.57 2jys s GLN 44 Ca -0.03 -1.78 0.06 0.00 -1.82 0.00 0.00 55.36 51.80 2jys s GLN 44 Cb 0.09 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 2jys s GLN 44 CO 0.83 -0.61 -0.15 0.95 -1.32 0.00 0.00 175.29 174.99 2jys s THR 45 N -3.60 1.45 0.00 3.63 -4.23 -1.26 0.21 115.64 111.84 2jys s THR 45 Ca 0.36 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2jys s THR 45 Cb 0.03 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 2jys s THR 45 CO 0.20 -0.43 0.05 -0.04 -0.54 0.00 0.00 174.62 173.86 2jys s MET 46 N -2.83 0.31 -0.21 3.99 -1.94 -0.38 -4.79 119.30 113.44 2jys s MET 46 Ca 0.12 -0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 2jys s MET 46 Cb -0.04 0.12 -0.05 0.00 2.01 0.00 0.00 34.83 36.87 2jys s MET 46 CO 0.04 -0.06 0.21 -1.17 -0.01 0.00 0.00 175.02 174.02 2jys s LEU 47 N -1.04 4.16 -0.08 -0.03 2.96 -1.26 -1.92 118.68 121.47 2jys s LEU 47 Ca -0.11 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2jys s LEU 47 Cb -0.07 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2jys s LEU 47 CO 0.00 0.08 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.30 2jys s ILE 48 N 0.85 2.69 -0.11 6.68 -1.09 0.65 -4.97 121.20 125.90 2jys s ILE 48 Ca 0.11 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2jys s ILE 48 Cb -0.13 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2jys s ILE 48 CO 0.03 0.56 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.73 2jys s LYS 49 N -0.20 3.22 0.16 2.79 1.02 -1.26 0.44 119.74 125.91 2jys s LYS 49 Ca -0.01 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.54 2jys s LYS 49 Cb -0.13 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2jys s LYS 49 CO 0.03 0.48 -0.13 0.95 -0.92 0.00 0.00 175.35 175.76 2jys s THR 50 N -0.29 1.48 0.28 2.17 -4.23 0.12 -4.92 115.64 110.25 2jys s THR 50 Ca 0.05 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2jys s THR 50 Cb -0.13 -1.84 0.27 0.00 1.34 0.00 0.00 72.50 72.15 2jys s THR 50 CO 0.02 -0.56 1.80 -0.29 -0.54 0.00 0.00 174.62 175.05 2jys h ILE 51 N 2.94 0.81 -0.45 2.99 2.10 -2.03 0.11 117.51 123.99 2jys h ILE 51 Ca -0.38 -0.28 -0.04 0.00 1.08 0.00 0.00 64.86 65.24 2jys h ILE 51 Cb 1.20 -0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 2jys h ILE 51 CO 0.58 0.15 0.11 0.45 -1.08 0.00 0.00 178.15 178.36 2jys h HIS 52 N 0.81 0.68 0.00 2.19 3.86 -2.03 -3.48 115.15 117.18 2jys h HIS 52 Ca 0.50 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 2jys h HIS 52 Cb 0.62 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2jys h HIS 52 CO -0.04 0.58 0.00 0.41 0.86 0.00 0.00 177.93 179.75 2jys n GLY 53 N -0.97 -1.82 3.76 2.45 0.00 0.40 -5.13 105.19 103.89 2jys n GLY 53 Ca 0.03 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.67 4.17 -0.03 1.61 2.02 -1.26 0.15 118.70 123.68 2jys s GLU 54 Ca 0.00 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.37 2jys s GLU 54 Cb 0.00 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.88 2jys s GLU 54 CO 0.00 0.37 -0.09 0.15 0.02 0.00 0.00 175.26 175.71 2jys s LYS 55 N -0.03 1.06 -0.18 1.61 1.02 0.17 -4.92 119.74 118.48 2jys s LYS 55 Ca 0.23 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 2jys s LYS 55 Cb -0.15 -0.98 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 2jys s LYS 55 CO 0.10 0.07 -0.00 -1.14 -0.92 0.00 0.00 175.35 173.46 2jys s GLN 56 N 0.37 3.72 0.24 1.68 0.74 -1.26 -0.25 119.66 124.89 2jys s GLN 56 Ca -0.06 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 54.94 2jys s GLN 56 Cb -0.11 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 2jys s GLN 56 CO 0.01 0.17 -0.13 -0.65 -0.55 0.00 0.00 175.29 174.14 2jys s GLN 57 N 0.57 1.44 -0.02 1.67 -0.21 -0.81 -4.94 119.66 117.36 2jys s GLN 57 Ca -0.01 -1.67 -0.09 0.00 0.02 0.00 0.00 55.36 53.61 2jys s GLN 57 Cb -0.14 -1.23 -0.05 0.00 1.00 0.00 0.00 33.01 32.60 2jys s GLN 57 CO 0.02 0.17 0.28 -0.51 -2.12 0.00 0.00 175.29 173.13 2jys s ASP 58 N -3.38 6.57 0.38 5.90 1.01 -1.26 -1.25 116.67 124.64 2jys s ASP 58 Ca 0.25 0.67 -0.16 0.00 0.71 0.00 0.00 52.55 54.02 2jys s ASP 58 Cb -0.00 -2.14 -0.09 0.00 1.01 0.00 0.00 42.92 41.70 2jys s ASP 58 CO 0.09 0.31 0.82 -0.69 0.21 0.00 0.00 175.17 175.91 2jys s VAL 59 N -1.17 4.61 -0.02 -1.27 1.01 0.13 -4.65 120.40 119.04 2jys s VAL 59 Ca 0.23 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.30 2jys s VAL 59 Cb -0.14 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 2jys s VAL 59 CO 0.12 -0.32 -0.10 -0.31 0.00 0.00 0.00 175.10 174.49 2jys s TYR 60 N -2.15 0.99 -0.37 5.22 1.51 -0.79 -2.32 117.35 119.45 2jys s TYR 60 Ca 0.56 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 56.27 2jys s TYR 60 Cb -0.10 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 41.08 2jys s TYR 60 CO 0.20 -0.06 0.25 -0.47 -1.11 0.00 0.00 175.55 174.35 2jys s TYR 61 N -0.02 3.23 0.42 2.71 5.04 -1.26 0.19 117.35 127.66 2jys s TYR 61 Ca 0.00 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.25 2jys s TYR 61 Cb -0.07 -2.50 -0.05 0.00 0.35 0.00 0.00 41.96 39.69 2jys s TYR 61 CO 0.00 -0.47 0.03 -0.51 -1.34 0.00 0.00 175.55 173.26 2jys s LEU 62 N 1.69 2.51 -0.11 6.97 1.43 -0.72 -4.96 118.68 125.48 2jys s LEU 62 Ca 0.05 -1.48 0.02 0.00 -1.03 0.00 0.00 54.13 51.69 2jys s LEU 62 Cb -0.18 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2jys s LEU 62 CO 0.10 -0.63 -0.17 -0.89 0.23 0.00 0.00 176.35 174.98 2jys s THR 63 N -2.91 1.63 0.06 5.49 2.01 -1.26 -1.99 115.64 118.67 2jys s THR 63 Ca 0.26 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 2jys s THR 63 Cb 0.07 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2jys s THR 63 CO 0.13 0.47 0.12 0.72 -0.69 0.00 0.00 174.62 175.37 2jys s PHE 64 N 0.93 0.22 -0.07 4.92 -0.71 -0.80 -3.85 117.98 118.61 2jys s PHE 64 Ca -0.07 -0.61 -0.22 0.00 -1.04 0.00 0.00 56.93 54.99 2jys s PHE 64 Cb -0.15 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2jys s PHE 64 CO -0.01 -0.45 0.62 0.15 -1.34 0.00 0.00 175.22 174.19 2jys s LYS 65 N -3.34 4.40 -0.39 1.99 1.02 0.98 -1.07 119.74 123.34 2jys s LYS 65 Ca 0.01 0.74 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 2jys s LYS 65 Cb 0.03 -3.43 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2jys s LYS 65 CO -0.08 0.12 0.18 0.08 -0.92 0.00 0.00 175.35 174.73 2jys s VAL 66 N 0.64 3.62 -1.33 3.17 1.01 0.21 -1.02 120.40 126.70 2jys s VAL 66 Ca 0.33 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 2jys s VAL 66 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2jys s VAL 66 CO 0.16 -0.47 0.52 0.00 0.00 0.00 0.00 175.10 175.30 2jys n GLN 67 N 4.74 -4.18 -2.02 2.72 6.02 -0.73 -2.15 117.38 121.78 2jys n GLN 67 Ca -0.08 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 2jys n GLN 67 Cb 0.43 -5.35 0.00 0.00 1.02 0.00 0.00 30.24 26.33 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 -1.41 0.54 2.70 1.08 0.00 -1.26 -5.04 105.19 101.79 2jys n GLY 68 Ca -0.10 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.06 0.31 0.03 1.61 0.52 -0.91 -5.10 118.95 111.34 2jys s ARG 69 Ca 0.00 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 2jys s ARG 69 Cb 0.00 -1.18 -0.08 0.00 0.52 0.00 0.00 34.95 34.21 2jys s ARG 69 CO 0.00 -0.43 1.86 0.21 0.02 0.00 0.00 175.30 176.95 2jys s LYS 70 N 2.04 4.15 -0.06 3.54 2.20 -1.26 0.66 119.74 131.02 2jys s LYS 70 Ca 0.03 2.49 -0.02 0.00 -0.36 0.00 0.00 55.97 58.12 2jys s LYS 70 Cb -0.14 -4.01 0.04 0.00 -1.51 0.00 0.00 37.83 32.21 2jys s LYS 70 CO -0.06 -0.90 0.12 0.08 -0.36 0.00 0.00 175.35 174.23 2jys s VAL 71 N 4.02 -0.07 -0.11 4.02 1.01 -0.23 -4.89 120.40 124.16 2jys s VAL 71 Ca 0.83 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 2jys s VAL 71 Cb -0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2jys s VAL 71 CO 0.38 0.09 -0.03 -1.61 0.00 0.00 0.00 175.10 173.92 2jys s GLU 72 N 1.26 3.16 0.28 2.72 2.02 -1.26 -1.91 118.70 124.97 2jys s GLU 72 Ca -0.08 -0.48 -0.21 0.00 0.02 0.00 0.00 54.97 54.22 2jys s GLU 72 Cb -0.12 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.35 2jys s GLU 72 CO -0.05 0.53 0.73 0.00 0.02 0.00 0.00 175.26 176.49 2jys s ALA 73 N -0.43 -1.23 0.14 5.21 0.00 -0.84 -5.00 121.76 119.61 2jys s ALA 73 Ca 0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 2jys s ALA 73 Cb -0.12 0.84 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 2jys s ALA 73 CO 0.02 -1.04 0.94 -1.21 0.00 0.00 0.00 175.76 174.47 2jys s GLU 74 N -3.90 4.72 0.12 0.00 2.02 -1.26 -1.76 118.70 118.64 2jys s GLU 74 Ca 0.11 1.43 0.07 0.00 0.02 0.00 0.00 54.97 56.60 2jys s GLU 74 Cb -0.06 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2jys s GLU 74 CO 0.07 0.29 -0.18 0.14 0.02 0.00 0.00 175.26 175.60 2jys s VAL 75 N -0.28 1.57 0.06 2.63 -7.23 0.51 -3.35 120.40 114.31 2jys s VAL 75 Ca 0.45 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2jys s VAL 75 Cb -0.24 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2jys s VAL 75 CO 0.30 -0.22 0.08 -0.22 -0.31 0.00 0.00 175.10 174.72 2jys s LEU 76 N -2.18 3.80 0.18 1.32 2.96 -0.85 -1.88 118.68 122.04 2jys s LEU 76 Ca 0.08 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2jys s LEU 76 Cb -0.08 -2.43 -0.07 0.00 0.50 0.00 0.00 46.19 44.10 2jys s LEU 76 CO 0.04 0.19 0.96 0.00 -1.32 0.00 0.00 176.35 176.23 2jys s ALA 77 N -1.35 3.30 -0.02 5.97 0.00 -1.21 0.73 121.76 129.20 2jys s ALA 77 Ca 0.28 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 2jys s ALA 77 Cb -0.12 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2jys s ALA 77 CO 0.20 0.07 0.28 0.45 0.00 0.00 0.00 175.76 176.76 2jys s SER 78 N -0.57 -0.16 0.00 0.00 0.15 -0.23 -4.77 113.70 108.13 2jys s SER 78 Ca 0.44 0.06 0.06 0.00 0.70 0.00 0.00 55.95 57.21 2jys s SER 78 Cb -0.25 0.31 0.38 0.00 -1.71 0.00 0.00 66.02 64.75 2jys s SER 78 CO 0.31 -0.42 0.95 -0.81 1.20 0.00 0.00 173.24 174.47 2jys n PRO 79 N 1.37 0.64 -0.24 5.44 -0.04 -1.26 -2.78 135.00 138.14 2jys n PRO 79 Ca -0.21 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.97 2jys n PRO 79 Cb 0.56 -1.16 0.27 0.00 -0.04 0.00 0.00 33.50 33.13 2jys n PRO 79 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jys n TYR 80 N -0.66 -3.66 -1.11 0.54 4.01 -1.26 -4.95 117.16 110.07 2jys n TYR 80 Ca 0.05 -0.76 0.10 0.00 -0.16 0.00 0.00 57.90 57.13 2jys n TYR 80 Cb 0.02 -1.14 0.15 0.00 -0.31 0.00 0.00 39.34 38.06 2jys n TYR 80 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2jys n ASP 81 N -5.56 2.31 0.00 7.72 5.68 -1.26 -4.86 116.55 120.58 2jys n ASP 81 Ca 0.13 -3.15 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 2jys n ASP 81 Cb 0.55 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.41 0.00 -4.11 2.11 4.11 -1.26 -5.00 117.16 111.60 2jys n TYR 82 Ca 0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.83 2jys n TYR 82 Cb 0.65 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.82 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 -0.83 0.74 0.25 -3.48 1.01 -1.24 -3.94 121.20 113.70 2jys s ILE 83 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 2jys s ILE 83 Cb 0.00 -0.76 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 2jys s ILE 83 CO 0.00 0.29 0.83 -0.76 0.00 0.00 0.00 174.94 175.30 2jys s LEU 84 N 1.25 4.41 -0.11 2.97 1.43 0.09 -2.03 118.68 126.70 2jys s LEU 84 Ca -0.05 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 2jys s LEU 84 Cb -0.14 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2jys s LEU 84 CO -0.02 0.04 -0.05 -0.76 0.23 0.00 0.00 176.35 175.79 2jys s LEU 85 N -1.79 3.22 -0.01 1.79 1.43 -0.18 -2.54 118.68 120.60 2jys s LEU 85 Ca 0.44 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 2jys s LEU 85 Cb -0.19 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 2jys s LEU 85 CO 0.24 0.27 0.50 0.21 0.23 0.00 0.00 176.35 177.80 2jys s ASN 86 N -0.27 6.87 0.27 2.29 2.47 -1.26 -2.71 114.94 122.60 2jys s ASN 86 Ca 0.04 1.04 -0.02 0.00 0.42 0.00 0.00 52.86 54.34 2jys s ASN 86 Cb -0.13 -2.31 0.36 0.00 -1.45 0.00 0.00 41.25 37.73 2jys s ASN 86 CO 0.02 0.19 1.79 1.55 -3.72 0.00 0.00 177.10 176.94 2jys h PRO 87 N 5.32 0.80 -0.09 0.43 0.13 -1.75 -2.42 132.00 134.43 2jys h PRO 87 Ca -0.47 -0.19 -0.12 0.00 -0.87 0.00 0.00 66.00 64.34 2jys h PRO 87 Cb 1.20 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jys h PRO 87 CO 0.67 0.77 -0.50 0.77 -0.23 0.00 0.00 178.00 179.48 2jys h SER 88 N 0.76 0.25 0.64 1.44 0.02 -1.86 -2.78 113.55 112.01 2jys h SER 88 Ca 0.16 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2jys h SER 88 Cb 0.39 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2jys h SER 88 CO 0.01 0.71 -0.54 0.44 -1.14 0.00 0.00 176.83 176.31 2jys h ASP 89 N 0.18 0.00 -2.66 3.07 3.32 -1.81 -3.33 116.42 115.19 2jys h ASP 89 Ca 0.01 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.44 2jys h ASP 89 Cb 0.95 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.09 2jys h ASP 89 CO 0.08 0.54 -0.51 1.33 -1.72 0.00 0.00 179.24 178.96 2jys n VAL 90 N -3.78 2.20 0.25 -1.35 0.24 -0.94 -4.87 118.33 110.08 2jys n VAL 90 Ca -0.01 -5.09 0.14 0.00 -2.04 0.00 0.00 64.34 57.33 2jys n VAL 90 Cb 0.57 -2.16 0.58 0.00 -1.47 0.00 0.00 33.84 31.37 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 4.84 0.00 0.00 7.34 0.13 -1.67 -2.88 132.00 139.75 2jys h PRO 91 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 2jys h PRO 91 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2jys h PRO 91 CO 0.80 0.11 -0.68 0.11 -0.23 0.00 0.00 178.00 178.11 2jys h TRP 92 N 0.00 0.00 -0.97 1.56 0.09 -1.89 -3.18 115.95 111.55 2jys h TRP 92 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.89 59.06 2jys h TRP 92 Cb 0.61 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 29.78 2jys h TRP 92 CO 0.00 0.68 0.62 1.25 0.09 0.00 0.00 178.44 181.07 2jys h LEU 93 N 0.00 0.95 -9.50 0.11 5.85 -1.88 -3.39 115.31 107.44 2jys h LEU 93 Ca -0.01 0.02 -0.60 0.00 0.84 0.00 0.00 57.88 58.14 2jys h LEU 93 Cb 1.33 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 2jys h LEU 93 CO 0.09 0.58 -0.20 -0.04 -0.34 0.00 0.00 178.44 178.52 2jys s MET 94 N -6.02 4.11 0.03 1.25 -1.94 -1.20 -5.08 119.30 110.45 2jys s MET 94 Ca -0.12 0.37 0.02 0.00 -1.71 0.00 0.00 55.69 54.25 2jys s MET 94 Cb 0.20 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.68 2jys s MET 94 CO 0.81 0.45 0.04 0.15 -0.01 0.00 0.00 175.02 176.46 2jys s LYS 95 N -0.28 2.85 0.70 2.03 1.02 -1.26 -4.96 119.74 119.83 2jys s LYS 95 Ca 0.23 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 2jys s LYS 95 Cb -0.16 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2jys s LYS 95 CO 0.11 0.61 1.18 0.15 -0.92 0.00 0.00 175.35 176.48 2jys s LYS 96 N -1.90 2.38 0.39 1.68 3.01 -1.26 -4.96 119.74 119.08 2jys s LYS 96 Ca 0.24 1.68 -0.25 0.00 -1.01 0.00 0.00 55.97 56.63 2jys s LYS 96 Cb -0.12 -1.87 -0.09 0.00 -1.01 0.00 0.00 37.83 34.75 2jys s LYS 96 CO 0.15 -1.64 1.17 -1.25 0.51 0.00 0.00 175.35 174.30 2jys s PRO 97 N -3.88 4.08 0.00 -1.68 0.04 -1.26 -5.31 135.00 126.99 2jys s PRO 97 Ca 0.73 1.85 0.24 0.00 0.04 0.00 0.00 61.00 63.86 2jys s PRO 97 Cb -0.27 -2.70 0.22 0.00 0.04 0.00 0.00 34.50 31.79 2jys s PRO 97 CO 0.43 -0.30 1.28 -0.11 0.04 0.00 0.00 177.00 178.33