#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 2.32 0.74 2.61 0.04 -1.26 -5.04 135.00 134.41 2jys s PRO 9 Ca 0.00 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2jys s PRO 9 Cb 0.00 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2jys s PRO 9 CO 0.00 -1.59 1.12 -0.51 0.04 0.00 0.00 177.00 176.06 2jys s LEU 10 N -5.88 2.78 0.05 -3.56 1.02 0.18 -4.76 118.68 108.51 2jys s LEU 10 Ca 0.61 1.00 0.01 0.00 0.02 0.00 0.00 54.13 55.77 2jys s LEU 10 Cb -0.17 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 2jys s LEU 10 CO 0.56 -1.52 0.12 -1.61 0.02 0.00 0.00 176.35 173.92 2jys s GLU 11 N -5.42 3.09 -0.02 1.70 2.02 -1.26 -0.02 118.70 118.78 2jys s GLU 11 Ca 0.59 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.73 2jys s GLU 11 Cb -0.11 -2.85 0.07 0.00 0.10 0.00 0.00 34.13 31.34 2jys s GLU 11 CO 0.51 0.60 0.65 0.00 0.02 0.00 0.00 175.26 177.04 2jys s ALA 12 N -1.37 -1.69 -0.17 5.21 0.00 -0.76 -2.63 121.76 120.35 2jys s ALA 12 Ca 0.29 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.42 2jys s ALA 12 Cb -0.12 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2jys s ALA 12 CO 0.21 -0.41 -0.20 -2.00 0.00 0.00 0.00 175.76 173.36 2jys s GLU 13 N -1.51 3.02 -0.18 0.00 2.12 0.32 0.03 118.70 122.50 2jys s GLU 13 Ca -0.10 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.39 2jys s GLU 13 Cb -0.00 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2jys s GLU 13 CO 0.07 -0.14 -0.09 0.42 -0.54 0.00 0.00 175.26 174.97 2jys s ILE 14 N 1.14 3.12 -2.07 -3.70 1.01 0.18 0.66 121.20 121.54 2jys s ILE 14 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2jys s ILE 14 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2jys s ILE 14 CO -0.09 0.48 0.00 0.29 0.00 0.00 0.00 174.94 175.62 2jys n LYS 15 N 4.24 -1.37 0.00 2.79 5.02 -1.18 -0.41 118.16 127.24 2jys n LYS 15 Ca -0.18 1.18 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 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 -0.57 1.54 3.73 0.72 0.00 -1.26 -5.03 105.19 104.31 2jys n GLY 16 Ca -0.20 0.00 -0.39 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 -2.32 5.05 0.04 2.61 2.01 0.45 -5.02 115.64 118.46 2jys s THR 17 Ca 0.00 1.27 -0.27 0.00 0.31 0.00 0.00 61.69 63.00 2jys s THR 17 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2jys s THR 17 CO 0.00 0.31 0.84 -0.54 -0.69 0.00 0.00 174.62 174.54 2jys s LYS 18 N 0.53 4.55 0.07 4.92 1.02 -1.26 0.52 119.74 130.09 2jys s LYS 18 Ca 0.33 1.20 -0.06 0.00 0.02 0.00 0.00 55.97 57.46 2jys s LYS 18 Cb -0.17 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2jys s LYS 18 CO 0.16 0.19 0.12 -0.51 -0.92 0.00 0.00 175.35 174.38 2jys s LEU 19 N 0.22 1.78 0.42 3.17 2.01 0.10 -4.93 118.68 121.45 2jys s LEU 19 Ca 0.43 -0.76 -0.19 0.00 0.01 0.00 0.00 54.13 53.62 2jys s LEU 19 Cb -0.21 0.75 -0.10 0.00 0.01 0.00 0.00 46.19 46.65 2jys s LEU 19 CO 0.25 -0.68 0.91 -0.54 1.01 0.00 0.00 176.35 177.30 2jys s LYS 20 N -3.84 4.12 0.20 1.70 -0.14 -1.26 -1.83 119.74 118.69 2jys s LYS 20 Ca 0.05 0.98 -0.01 0.00 -1.36 0.00 0.00 55.97 55.63 2jys s LYS 20 Cb 0.06 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.93 2jys s LYS 20 CO -0.10 -0.03 0.12 0.00 -0.76 0.00 0.00 175.35 174.57 2jys s ALA 21 N -2.22 1.24 -0.02 5.17 0.00 0.97 -3.11 121.76 123.78 2jys s ALA 21 Ca 0.59 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2jys s ALA 21 Cb -0.09 1.30 -0.00 0.00 0.00 0.00 0.00 23.12 24.33 2jys s ALA 21 CO 0.18 -0.56 -0.12 -1.01 0.00 0.00 0.00 175.76 174.25 2jys s HIS 22 N -4.09 1.15 -0.29 0.00 3.76 -0.58 0.51 115.29 115.75 2jys s HIS 22 Ca 0.38 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.85 2jys s HIS 22 Cb 0.07 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 2jys s HIS 22 CO 0.12 -0.09 0.41 -0.46 -0.85 0.00 0.00 174.74 173.86 2jys s TRP 23 N 0.03 3.24 -0.27 1.40 -0.00 -1.26 -0.61 118.94 121.46 2jys s TRP 23 Ca -0.01 0.37 -0.00 0.00 -0.00 0.00 0.00 56.10 56.45 2jys s TRP 23 Cb -0.08 -2.64 0.08 0.00 -0.00 0.00 0.00 33.47 30.83 2jys s TRP 23 CO 0.01 -0.29 0.05 0.34 -0.00 0.00 0.00 176.95 177.05 2jys s ASP 24 N 1.65 3.82 0.56 5.86 2.15 -1.22 -4.97 116.67 124.52 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 -0.16 -0.94 1.51 0.00 -0.30 0.00 0.00 42.92 43.03 2jys s ASP 24 CO 0.10 -0.35 2.06 0.77 -0.17 0.00 0.00 175.17 177.58 2jys h SER 25 N 8.05 0.00 -0.46 -0.34 4.64 -1.96 0.17 113.55 123.66 2jys h SER 25 Ca -0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2jys h SER 25 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2jys h SER 25 CO 0.43 0.00 0.14 1.23 -0.87 0.00 0.00 176.83 177.76 2jys h GLY 26 N 0.00 0.84 -3.26 -0.77 0.00 -1.94 -3.43 103.07 94.51 2jys h GLY 26 Ca 0.14 -0.46 -0.53 0.00 0.00 0.00 0.00 47.33 46.47 2jys h GLY 26 CO -0.00 0.44 0.61 0.00 0.00 0.00 0.00 176.54 177.59 2jys s ALA 27 N -5.23 3.17 -0.46 3.60 0.00 0.05 -4.92 121.76 117.96 2jys s ALA 27 Ca -0.09 1.26 0.12 0.00 0.00 0.00 0.00 51.96 53.25 2jys s ALA 27 Cb 0.16 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 2jys s ALA 27 CO 0.79 -0.95 0.47 2.41 0.00 0.00 0.00 175.76 178.49 2jys n THR 28 N -0.15 0.00 -3.96 0.00 -1.04 -1.26 -4.17 114.28 103.69 2jys n THR 28 Ca 0.05 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 61.75 2jys n THR 28 Cb 0.44 0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 69.69 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 -2.31 0.15 0.23 12.58 2.07 -1.26 -4.80 121.20 127.84 2jys s ILE 29 Ca 0.03 -1.21 -0.30 0.00 -1.41 0.00 0.00 60.65 57.76 2jys s ILE 29 Cb 0.09 -0.94 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 2jys s ILE 29 CO 0.51 -0.67 1.22 -0.89 -1.91 0.00 0.00 174.94 173.21 2jys s THR 30 N -2.75 3.34 -0.08 4.00 2.01 -1.25 -4.40 115.64 116.50 2jys s THR 30 Ca -0.04 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.19 2jys s THR 30 Cb -0.00 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2jys s THR 30 CO -0.05 0.22 -0.23 0.00 -0.69 0.00 0.00 174.62 173.86 2jys s VAL 32 N 0.19 2.23 -0.00 0.00 -7.23 0.15 0.11 120.40 115.85 2jys s VAL 32 Ca -0.13 -2.32 -0.30 0.00 -1.81 0.00 0.00 61.98 57.42 2jys s VAL 32 Cb -0.16 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2jys s VAL 32 CO 0.07 -0.40 1.01 -2.16 -0.31 0.00 0.00 175.10 173.31 2jys s PRO 33 N -3.57 4.53 0.59 4.82 0.04 -1.23 0.80 135.00 140.98 2jys s PRO 33 Ca 0.29 1.46 0.33 0.00 0.04 0.00 0.00 61.00 63.12 2jys s PRO 33 Cb -0.02 -3.45 1.29 0.00 0.04 0.00 0.00 34.50 32.35 2jys s PRO 33 CO 0.13 -0.10 1.55 0.93 0.04 0.00 0.00 177.00 179.55 2jys h GLU 34 N 6.83 0.00 -0.97 4.56 5.08 -1.81 0.98 114.58 129.25 2jys h GLU 34 Ca -0.40 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 2jys h GLU 34 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2jys h GLU 34 CO 0.77 0.00 0.63 0.00 -1.00 0.00 0.00 179.01 179.41 2jys h ALA 35 N 0.94 1.42 -0.00 3.43 0.00 -1.90 0.21 119.26 123.36 2jys h ALA 35 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2jys h ALA 35 Cb 2.65 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2jys h ALA 35 CO -0.01 0.45 -0.04 1.19 0.00 0.00 0.00 179.25 180.84 2jys n PHE 36 N -4.48 0.00 -0.96 0.00 3.01 0.34 -3.45 117.46 111.91 2jys n PHE 36 Ca 0.14 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.57 2jys n PHE 36 Cb 0.16 -0.09 0.32 0.00 -0.01 0.00 0.00 39.48 39.87 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 -0.77 5.99 -0.24 4.37 4.77 0.75 -4.63 117.00 127.25 2jys n LEU 37 Ca 0.19 -3.10 -0.07 0.00 -0.03 0.00 0.00 56.01 53.00 2jys n LEU 37 Cb 0.23 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2jys n LEU 37 CO 0.20 0.76 0.58 -0.08 -1.33 0.00 0.00 177.39 177.52 2jys h GLU 38 N 2.91 -0.17 -1.16 3.23 4.81 -1.58 0.76 114.58 123.37 2jys h GLU 38 Ca 0.21 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.87 2jys h GLU 38 Cb 2.25 0.04 -0.25 0.00 0.63 0.00 0.00 28.75 31.43 2jys h GLU 38 CO 0.69 -0.11 0.75 -0.40 -0.73 0.00 0.00 179.01 179.21 2jys n ASP 39 N -5.41 7.37 -4.51 1.04 5.68 -1.26 -4.99 116.55 114.46 2jys n ASP 39 Ca 0.03 -3.59 -0.53 0.00 -0.50 0.00 0.00 54.79 50.20 2jys n ASP 39 Cb 0.35 -1.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.27 2jys n ASP 39 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2jys n GLU 40 N -0.56 0.43 -3.75 0.11 0.28 0.26 -4.92 120.64 112.49 2jys n GLU 40 Ca 0.54 0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 57.40 2jys n GLU 40 Cb 0.63 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.83 2jys n GLU 40 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jys s ARG 41 N -0.32 1.59 -0.06 3.44 0.52 -1.26 -5.09 118.95 117.77 2jys s ARG 41 Ca 0.79 -2.38 -0.30 0.00 -0.52 0.00 0.00 55.73 53.32 2jys s ARG 41 Cb -1.04 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2jys s ARG 41 CO 0.55 -1.20 1.51 -1.25 0.02 0.00 0.00 175.30 174.92 2jys s PRO 42 N -0.13 4.22 -0.12 3.54 0.04 -1.26 -3.55 135.00 137.74 2jys s PRO 42 Ca 0.21 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.39 2jys s PRO 42 Cb -0.18 -3.82 -0.24 0.00 0.04 0.00 0.00 34.50 30.30 2jys s PRO 42 CO -0.05 -0.75 0.38 0.44 0.04 0.00 0.00 177.00 177.06 2jys n ILE 43 N 5.24 1.54 -4.38 0.56 -5.35 -0.59 -4.96 119.36 111.43 2jys n ILE 43 Ca 0.15 -0.79 -0.21 0.00 -0.27 0.00 0.00 62.75 61.63 2jys n ILE 43 Cb 0.43 -0.92 -0.09 0.00 -1.74 0.00 0.00 39.64 37.32 2jys n ILE 43 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jys s GLN 44 N -2.55 1.75 0.16 6.28 -0.21 -1.23 -5.02 119.66 118.83 2jys s GLN 44 Ca -0.10 -2.03 0.07 0.00 0.02 0.00 0.00 55.36 53.33 2jys s GLN 44 Cb 0.07 -0.14 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 2jys s GLN 44 CO 0.81 -0.52 -0.15 0.95 -2.12 0.00 0.00 175.29 174.26 2jys s THR 45 N -3.44 1.57 -0.02 -0.19 -4.23 -1.26 -0.83 115.64 107.24 2jys s THR 45 Ca 0.33 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 2jys s THR 45 Cb 0.03 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.10 2jys s THR 45 CO 0.19 -0.45 0.12 -0.04 -0.54 0.00 0.00 174.62 173.90 2jys s MET 46 N -3.03 0.29 -0.10 3.99 -1.94 -0.12 -4.80 119.30 113.59 2jys s MET 46 Ca 0.15 -0.12 -0.09 0.00 -1.71 0.00 0.00 55.69 53.91 2jys s MET 46 Cb -0.04 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.89 2jys s MET 46 CO 0.05 -0.06 0.21 -0.51 -0.01 0.00 0.00 175.02 174.70 2jys s LEU 47 N -0.65 4.38 -0.04 -0.03 1.43 -1.26 -1.84 118.68 120.68 2jys s LEU 47 Ca -0.07 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2jys s LEU 47 Cb -0.04 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 2jys s LEU 47 CO 0.01 0.35 -0.16 -0.63 0.23 0.00 0.00 176.35 176.14 2jys s ILE 48 N -0.81 1.36 -0.05 -0.59 1.01 0.47 -4.93 121.20 117.67 2jys s ILE 48 Ca 0.16 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2jys s ILE 48 Cb -0.13 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 2jys s ILE 48 CO 0.05 0.39 -0.19 -0.75 0.00 0.00 0.00 174.94 174.45 2jys s LYS 49 N -0.01 1.98 0.15 2.79 2.20 -1.26 0.36 119.74 125.95 2jys s LYS 49 Ca -0.02 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.96 2jys s LYS 49 Cb -0.11 -1.71 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 2jys s LYS 49 CO 0.02 0.28 -0.12 0.95 -0.36 0.00 0.00 175.35 176.12 2jys s THR 50 N -0.02 1.33 0.26 3.43 -4.23 0.24 -4.93 115.64 111.72 2jys s THR 50 Ca -0.04 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2jys s THR 50 Cb -0.12 -1.78 0.24 0.00 1.34 0.00 0.00 72.50 72.18 2jys s THR 50 CO 0.03 -0.61 1.80 -0.29 -0.54 0.00 0.00 174.62 175.00 2jys h ILE 51 N 2.98 0.85 -0.62 2.99 2.10 -2.03 0.20 117.51 123.97 2jys h ILE 51 Ca -0.38 -0.27 -0.03 0.00 1.08 0.00 0.00 64.86 65.27 2jys h ILE 51 Cb 1.20 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 2jys h ILE 51 CO 0.59 0.14 0.27 0.45 -1.08 0.00 0.00 178.15 178.52 2jys h HIS 52 N 0.78 0.89 0.00 2.19 3.86 -2.05 -3.47 115.15 117.35 2jys h HIS 52 Ca 0.45 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2jys h HIS 52 Cb 0.50 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2jys h HIS 52 CO -0.06 0.67 0.00 0.41 0.86 0.00 0.00 177.93 179.82 2jys n GLY 53 N -1.07 -1.31 3.52 2.45 0.00 0.06 -5.14 105.19 103.71 2jys n GLY 53 Ca 0.05 -0.99 -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 1.85 0.00 0.00 0.00 173.32 175.17 2jys s GLU 54 N -1.42 3.74 0.02 1.61 2.12 -1.26 0.82 118.70 124.32 2jys s GLU 54 Ca 0.00 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 54.90 2jys s GLU 54 Cb 0.00 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2jys s GLU 54 CO 0.00 0.20 -0.13 0.15 -0.54 0.00 0.00 175.26 174.94 2jys s LYS 55 N 0.50 0.97 -0.01 4.30 1.02 0.16 -4.94 119.74 121.74 2jys s LYS 55 Ca -0.01 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.41 2jys s LYS 55 Cb -0.14 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.19 2jys s LYS 55 CO 0.02 0.25 -0.17 -0.65 -0.92 0.00 0.00 175.35 173.87 2jys s GLN 56 N -0.78 2.28 0.16 1.68 -0.21 -1.26 -0.39 119.66 121.13 2jys s GLN 56 Ca 0.03 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.57 2jys s GLN 56 Cb -0.07 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 2jys s GLN 56 CO 0.00 0.58 0.04 -0.65 -2.12 0.00 0.00 175.29 173.14 2jys s GLN 57 N -0.98 1.03 0.28 2.91 -0.21 -0.77 -4.91 119.66 117.01 2jys s GLN 57 Ca 0.13 -1.50 0.07 0.00 0.02 0.00 0.00 55.36 54.07 2jys s GLN 57 Cb -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 33.01 33.88 2jys s GLN 57 CO 0.02 -0.21 0.30 -0.51 -2.12 0.00 0.00 175.29 172.77 2jys s ASP 58 N -3.12 5.71 -0.12 5.90 1.01 -1.26 -0.94 116.67 123.84 2jys s ASP 58 Ca 0.25 -0.23 -0.07 0.00 0.71 0.00 0.00 52.55 53.21 2jys s ASP 58 Cb 0.07 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.59 2jys s ASP 58 CO 0.03 -0.19 0.13 -0.69 0.21 0.00 0.00 175.17 174.67 2jys s VAL 59 N -2.15 5.42 0.12 -1.27 1.01 -0.01 -4.79 120.40 118.73 2jys s VAL 59 Ca 0.37 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.63 2jys s VAL 59 Cb -0.08 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2jys s VAL 59 CO 0.27 0.61 -0.23 -0.31 0.00 0.00 0.00 175.10 175.44 2jys s TYR 60 N -0.93 2.41 -0.32 5.22 1.51 -0.83 -1.54 117.35 122.87 2jys s TYR 60 Ca 0.14 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.80 2jys s TYR 60 Cb -0.12 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2jys s TYR 60 CO 0.04 0.35 0.11 -0.47 -1.11 0.00 0.00 175.55 174.46 2jys s TYR 61 N -1.08 3.20 0.32 2.71 5.04 -1.23 0.18 117.35 126.48 2jys s TYR 61 Ca 0.15 -1.13 0.09 0.00 -2.44 0.00 0.00 57.07 53.75 2jys s TYR 61 Cb -0.10 -2.29 -0.05 0.00 0.35 0.00 0.00 41.96 39.87 2jys s TYR 61 CO 0.07 -0.64 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.12 2jys s LEU 62 N 1.47 2.97 -0.20 6.97 1.43 -0.56 -4.88 118.68 125.88 2jys s LEU 62 Ca 0.01 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2jys s LEU 62 Cb -0.18 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2jys s LEU 62 CO 0.03 -0.16 -0.17 -0.89 0.23 0.00 0.00 176.35 175.40 2jys s THR 63 N -2.48 2.04 0.05 5.49 2.01 -1.26 -1.99 115.64 119.51 2jys s THR 63 Ca 0.34 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2jys s THR 63 Cb -0.02 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2jys s THR 63 CO 0.19 0.36 -0.04 0.72 -0.69 0.00 0.00 174.62 175.15 2jys s PHE 64 N 1.25 0.58 -0.17 4.92 -0.71 -0.76 -3.11 117.98 119.99 2jys s PHE 64 Ca 0.01 -0.86 -0.17 0.00 -1.04 0.00 0.00 56.93 54.87 2jys s PHE 64 Cb -0.15 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2jys s PHE 64 CO -0.10 -0.25 0.43 0.15 -1.34 0.00 0.00 175.22 174.10 2jys s LYS 65 N -3.16 4.24 -0.42 1.99 1.02 0.21 -0.64 119.74 122.98 2jys s LYS 65 Ca 0.02 0.31 -0.12 0.00 0.02 0.00 0.00 55.97 56.19 2jys s LYS 65 Cb 0.02 -3.49 0.06 0.00 -0.52 0.00 0.00 37.83 33.89 2jys s LYS 65 CO -0.06 0.04 0.29 0.08 -0.92 0.00 0.00 175.35 174.78 2jys s VAL 66 N 1.04 4.69 -1.27 3.17 1.01 0.19 -0.52 120.40 128.71 2jys s VAL 66 Ca 0.22 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 2jys s VAL 66 Cb -0.15 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2jys s VAL 66 CO 0.08 -0.45 0.64 0.00 0.00 0.00 0.00 175.10 175.38 2jys n GLN 67 N 5.04 -4.80 -1.70 2.72 6.02 -1.08 -2.01 117.38 121.56 2jys n GLN 67 Ca -0.11 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 2jys n GLN 67 Cb 0.44 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.36 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 -1.50 0.41 2.82 1.08 0.00 -1.26 -5.03 105.19 101.70 2jys n GLY 68 Ca -0.07 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.42 1.06 0.09 1.61 0.52 -0.85 -5.09 118.95 112.86 2jys s ARG 69 Ca 0.00 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.22 2jys s ARG 69 Cb 0.00 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.05 2jys s ARG 69 CO 0.00 -0.63 1.89 1.17 0.02 0.00 0.00 175.30 177.74 2jys n LYS 70 N 4.88 2.81 -3.74 3.54 4.81 -1.26 0.54 118.16 129.74 2jys n LYS 70 Ca -0.10 1.02 -0.14 0.00 -0.87 0.00 0.00 58.31 58.23 2jys n LYS 70 Cb 0.46 -2.94 -0.14 0.00 0.02 0.00 0.00 35.03 32.42 2jys n LYS 70 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2jys s VAL 71 N 3.35 -0.06 -0.10 3.15 1.01 0.19 -4.88 120.40 123.06 2jys s VAL 71 Ca 0.85 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2jys s VAL 71 Cb -0.47 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2jys s VAL 71 CO 0.39 0.08 -0.09 -1.61 0.00 0.00 0.00 175.10 173.88 2jys s GLU 72 N 1.25 3.07 0.28 2.72 2.02 -1.26 -1.82 118.70 124.96 2jys s GLU 72 Ca -0.08 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.10 2jys s GLU 72 Cb -0.12 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.49 2jys s GLU 72 CO -0.06 0.46 0.73 0.00 0.02 0.00 0.00 175.26 176.41 2jys s ALA 73 N -0.26 -1.21 0.36 5.21 0.00 -0.84 -5.00 121.76 120.02 2jys s ALA 73 Ca 0.03 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 2jys s ALA 73 Cb -0.13 0.83 -0.10 0.00 0.00 0.00 0.00 23.12 23.72 2jys s ALA 73 CO 0.03 -1.04 0.95 -1.21 0.00 0.00 0.00 175.76 174.49 2jys s GLU 74 N -3.81 4.45 0.13 0.00 2.02 -1.26 -1.50 118.70 118.74 2jys s GLU 74 Ca 0.11 1.27 -0.00 0.00 0.02 0.00 0.00 54.97 56.37 2jys s GLU 74 Cb -0.06 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2jys s GLU 74 CO 0.07 0.16 0.03 0.14 0.02 0.00 0.00 175.26 175.68 2jys s VAL 75 N -1.79 0.26 0.11 2.63 -7.23 0.46 -3.96 120.40 110.88 2jys s VAL 75 Ca 0.54 -1.91 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 2jys s VAL 75 Cb -0.16 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2jys s VAL 75 CO 0.21 -0.54 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.01 2jys s LEU 76 N -3.06 2.51 0.06 1.32 2.96 -0.83 -1.97 118.68 119.66 2jys s LEU 76 Ca 0.22 -0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 2jys s LEU 76 Cb 0.07 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 2jys s LEU 76 CO 0.01 0.19 0.98 0.00 -1.32 0.00 0.00 176.35 176.20 2jys s ALA 77 N -1.08 3.21 0.05 5.97 0.00 -1.25 0.32 121.76 128.98 2jys s ALA 77 Ca 0.16 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2jys s ALA 77 Cb -0.10 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2jys s ALA 77 CO 0.08 -0.14 -0.09 0.45 0.00 0.00 0.00 175.76 176.06 2jys s SER 78 N 0.52 0.96 0.00 0.00 0.15 0.24 -4.78 113.70 110.78 2jys s SER 78 Ca 0.50 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.75 2jys s SER 78 Cb -0.22 0.02 0.96 0.00 -1.71 0.00 0.00 66.02 65.08 2jys s SER 78 CO 0.29 -0.19 1.38 -0.81 1.20 0.00 0.00 173.24 175.11 2jys n PRO 79 N 1.44 0.54 -0.66 5.44 -0.04 -1.26 -2.64 135.00 137.82 2jys n PRO 79 Ca -0.23 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 2jys n PRO 79 Cb 0.55 -1.47 0.26 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.12 -0.25 0.54 2.02 -1.26 -4.95 117.35 111.57 2jys s TYR 80 Ca 0.24 0.65 0.15 0.00 -0.37 0.00 0.00 57.07 57.74 2jys s TYR 80 Cb 0.11 -3.12 0.37 0.00 -0.40 0.00 0.00 41.96 38.92 2jys s TYR 80 CO 0.19 -4.40 1.27 -0.25 -1.57 0.00 0.00 175.55 170.79 2jys n ASP 81 N -5.20 3.10 0.00 2.29 8.00 -1.26 -4.72 116.55 118.75 2jys n ASP 81 Ca 0.11 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.82 2jys n ASP 81 Cb 0.59 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.64 0.00 -4.23 1.24 4.11 -1.26 -4.96 117.16 111.42 2jys n TYR 82 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.80 2jys n TYR 82 Cb 0.69 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.86 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 -0.48 1.19 0.07 -3.48 1.01 -1.18 -3.49 121.20 114.84 2jys s ILE 83 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 2jys s ILE 83 Cb 0.00 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2jys s ILE 83 CO 0.00 0.38 0.96 -0.76 0.00 0.00 0.00 174.94 175.52 2jys s LEU 84 N 1.22 4.46 -0.04 2.97 1.43 0.29 -1.53 118.68 127.49 2jys s LEU 84 Ca -0.03 1.74 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2jys s LEU 84 Cb -0.14 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2jys s LEU 84 CO -0.03 -0.12 0.14 -0.76 0.23 0.00 0.00 176.35 175.80 2jys s LEU 85 N 0.32 4.22 -0.16 1.79 1.43 0.22 -1.37 118.68 125.13 2jys s LEU 85 Ca 0.48 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.83 2jys s LEU 85 Cb -0.22 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2jys s LEU 85 CO 0.29 0.31 0.10 0.21 0.23 0.00 0.00 176.35 177.48 2jys s ASN 86 N -1.62 5.98 0.40 2.29 2.47 -1.26 -3.41 114.94 119.79 2jys s ASN 86 Ca 0.23 0.25 0.12 0.00 0.42 0.00 0.00 52.86 53.87 2jys s ASN 86 Cb -0.12 -1.98 0.85 0.00 -1.45 0.00 0.00 41.25 38.55 2jys s ASN 86 CO 0.13 0.27 1.93 1.55 -3.72 0.00 0.00 177.10 177.26 2jys h PRO 87 N 5.97 0.13 0.00 0.43 0.13 -1.76 -2.18 132.00 134.72 2jys h PRO 87 Ca -0.45 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 2jys h PRO 87 Cb 1.18 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2jys h PRO 87 CO 0.66 0.31 -0.65 0.77 -0.23 0.00 0.00 178.00 178.87 2jys h SER 88 N 0.12 0.00 0.96 1.44 0.02 -1.87 -3.10 113.55 111.13 2jys h SER 88 Ca 0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2jys h SER 88 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2jys h SER 88 CO 0.03 0.65 -0.82 0.44 -1.14 0.00 0.00 176.83 175.99 2jys h ASP 89 N 0.00 0.00 -2.74 3.07 3.32 -1.77 -3.37 116.42 114.94 2jys h ASP 89 Ca -0.01 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.43 2jys h ASP 89 Cb 1.28 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.42 2jys h ASP 89 CO 0.08 0.82 -0.62 1.33 -1.72 0.00 0.00 179.24 179.13 2jys n VAL 90 N -3.45 1.63 0.22 -1.35 0.24 -0.87 -4.90 118.33 109.85 2jys n VAL 90 Ca -0.00 -4.87 0.09 0.00 -2.04 0.00 0.00 64.34 57.52 2jys n VAL 90 Cb 0.82 -2.12 0.49 0.00 -1.47 0.00 0.00 33.84 31.56 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 4.98 0.00 0.00 7.34 0.13 -1.72 -2.80 132.00 139.93 2jys h PRO 91 Ca 0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 2jys h PRO 91 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2jys h PRO 91 CO 0.73 0.24 -0.39 0.11 -0.23 0.00 0.00 178.00 178.46 2jys h TRP 92 N 0.00 0.00 -0.42 1.56 0.09 -1.90 -3.11 115.95 112.16 2jys h TRP 92 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.95 2jys h TRP 92 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.89 2jys h TRP 92 CO 0.00 0.39 0.14 1.25 0.09 0.00 0.00 178.44 180.31 2jys h LEU 93 N 0.00 0.56 -9.31 0.11 6.46 -1.87 -3.41 115.31 107.84 2jys h LEU 93 Ca -0.00 -0.07 -0.65 0.00 -0.12 0.00 0.00 57.88 57.04 2jys h LEU 93 Cb 1.10 -0.14 -0.13 0.00 -0.73 0.00 0.00 40.66 40.75 2jys h LEU 93 CO 0.05 0.53 -0.56 -0.04 -0.62 0.00 0.00 178.44 177.80 2jys s MET 94 N -5.23 3.50 0.27 1.25 -1.94 -1.18 -5.08 119.30 110.89 2jys s MET 94 Ca -0.08 -0.30 -0.28 0.00 -1.71 0.00 0.00 55.69 53.32 2jys s MET 94 Cb 0.16 -3.07 -0.09 0.00 2.01 0.00 0.00 34.83 33.84 2jys s MET 94 CO 0.76 0.56 0.93 0.15 -0.01 0.00 0.00 175.02 177.41 2jys s LYS 95 N -0.44 4.72 -1.05 2.03 1.02 -1.26 -4.02 119.74 120.73 2jys s LYS 95 Ca 0.10 1.39 -0.17 0.00 0.02 0.00 0.00 55.97 57.31 2jys s LYS 95 Cb -0.12 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2jys s LYS 95 CO 0.02 0.42 0.76 1.17 -0.92 0.00 0.00 175.35 176.80 2jys n LYS 96 N 1.09 -1.23 -2.32 1.68 4.81 -1.26 -4.91 118.16 116.02 2jys n LYS 96 Ca -0.01 0.60 -0.35 0.00 -0.87 0.00 0.00 58.31 57.68 2jys n LYS 96 Cb 0.48 -4.01 -0.01 0.00 0.02 0.00 0.00 35.03 31.52 2jys n LYS 96 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jys s PRO 97 N -5.56 3.47 0.00 1.64 0.04 -1.26 -5.23 135.00 128.11 2jys s PRO 97 Ca 0.37 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2jys s PRO 97 Cb -0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2jys s PRO 97 CO 0.86 -0.74 0.00 -0.11 0.04 0.00 0.00 177.00 177.04