#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 3.97 0.77 3.69 0.04 -1.26 -4.93 135.00 137.28 2jys s PRO 9 Ca 0.00 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 2jys s PRO 9 Cb 0.00 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.99 2jys s PRO 9 CO 0.00 -0.39 1.14 -0.51 0.04 0.00 0.00 177.00 177.28 2jys s LEU 10 N -2.63 2.65 -0.01 -3.56 1.02 0.24 -4.74 118.68 111.66 2jys s LEU 10 Ca 0.59 0.86 -0.02 0.00 0.02 0.00 0.00 54.13 55.58 2jys s LEU 10 Cb -0.31 -3.46 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 2jys s LEU 10 CO 0.38 -1.70 0.14 -0.70 0.02 0.00 0.00 176.35 174.48 2jys s GLU 11 N -5.48 3.26 0.02 1.70 2.12 -1.26 -0.49 118.70 118.58 2jys s GLU 11 Ca 0.61 -0.40 -0.14 0.00 0.36 0.00 0.00 54.97 55.40 2jys s GLU 11 Cb -0.11 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.31 2jys s GLU 11 CO 0.49 0.66 0.31 0.00 -0.54 0.00 0.00 175.26 176.18 2jys s ALA 12 N -1.26 -0.72 -0.14 6.30 0.00 -0.76 -2.78 121.76 122.40 2jys s ALA 12 Ca 0.25 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2jys s ALA 12 Cb -0.12 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2jys s ALA 12 CO 0.16 -0.35 -0.11 -2.00 0.00 0.00 0.00 175.76 173.46 2jys s GLU 13 N -2.07 1.95 -0.12 0.00 2.12 -0.39 -0.10 118.70 120.08 2jys s GLU 13 Ca -0.08 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2jys s GLU 13 Cb -0.03 -1.90 -0.01 0.00 0.26 0.00 0.00 34.13 32.46 2jys s GLU 13 CO -0.00 -0.26 -0.16 0.42 -0.54 0.00 0.00 175.26 174.71 2jys s ILE 14 N 1.58 2.74 -1.89 -3.70 1.01 0.15 -0.06 121.20 121.03 2jys s ILE 14 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2jys s ILE 14 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2jys s ILE 14 CO -0.10 0.53 0.00 0.29 0.00 0.00 0.00 174.94 175.67 2jys n LYS 15 N 3.57 -1.57 -0.57 2.79 5.02 -1.26 0.24 118.16 126.37 2jys n LYS 15 Ca -0.18 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2jys n LYS 15 Cb 0.53 -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 -0.61 0.90 3.70 0.72 0.00 -1.26 -5.02 105.19 103.63 2jys n GLY 16 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -3.20 5.36 0.15 2.61 2.01 0.14 -5.06 115.64 117.64 2jys s THR 17 Ca 0.00 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 2jys s THR 17 Cb 0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2jys s THR 17 CO 0.00 0.39 0.79 -0.54 -0.69 0.00 0.00 174.62 174.57 2jys s LYS 18 N 0.66 4.58 0.20 4.92 1.02 -1.26 0.29 119.74 130.15 2jys s LYS 18 Ca 0.10 1.18 -0.11 0.00 0.02 0.00 0.00 55.97 57.16 2jys s LYS 18 Cb -0.12 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 33.90 2jys s LYS 18 CO 0.02 0.51 0.39 -0.51 -0.92 0.00 0.00 175.35 174.83 2jys s LEU 19 N -0.93 0.59 0.46 3.17 1.02 0.86 -4.94 118.68 118.91 2jys s LEU 19 Ca 0.37 -0.86 -0.13 0.00 0.02 0.00 0.00 54.13 53.53 2jys s LEU 19 Cb -0.23 1.51 -0.07 0.00 0.02 0.00 0.00 46.19 47.43 2jys s LEU 19 CO 0.26 -1.01 0.87 -0.54 0.02 0.00 0.00 176.35 175.95 2jys s LYS 20 N -3.98 3.83 0.19 1.70 1.02 -1.26 -1.83 119.74 119.41 2jys s LYS 20 Ca 0.19 0.66 -0.09 0.00 0.02 0.00 0.00 55.97 56.75 2jys s LYS 20 Cb 0.01 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2jys s LYS 20 CO 0.04 -0.16 0.32 0.00 -0.92 0.00 0.00 175.35 174.63 2jys s ALA 21 N -2.52 0.07 -0.04 5.17 0.00 0.36 -2.73 121.76 122.07 2jys s ALA 21 Ca 0.54 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2jys s ALA 21 Cb -0.10 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2jys s ALA 21 CO 0.33 -0.70 -0.08 -1.01 0.00 0.00 0.00 175.76 174.30 2jys s HIS 22 N -4.00 0.97 -0.08 0.00 3.76 0.69 0.80 115.29 117.42 2jys s HIS 22 Ca 0.21 -0.29 -0.25 0.00 -0.15 0.00 0.00 55.06 54.58 2jys s HIS 22 Cb 0.03 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 2jys s HIS 22 CO 0.04 -0.18 0.79 -0.46 -0.85 0.00 0.00 174.74 174.08 2jys s TRP 23 N 0.61 3.55 -0.24 1.40 -0.00 -1.26 -1.33 118.94 121.67 2jys s TRP 23 Ca -0.10 1.34 -0.04 0.00 -0.00 0.00 0.00 56.10 57.30 2jys s TRP 23 Cb -0.13 -2.93 0.08 0.00 -0.00 0.00 0.00 33.47 30.50 2jys s TRP 23 CO 0.01 -0.03 0.10 0.34 -0.00 0.00 0.00 176.95 177.37 2jys s ASP 24 N 0.95 3.08 0.56 5.86 2.15 -0.88 -4.94 116.67 123.45 2jys s ASP 24 Ca 0.40 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.61 2jys s ASP 24 Cb -0.18 -0.40 1.60 0.00 -0.30 0.00 0.00 42.92 43.63 2jys s ASP 24 CO 0.18 -0.39 2.20 0.77 -0.17 0.00 0.00 175.17 177.77 2jys h SER 25 N 8.35 0.00 0.30 -0.34 4.64 -1.96 -0.37 113.55 124.17 2jys h SER 25 Ca -0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2jys h SER 25 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2jys h SER 25 CO 0.38 0.02 -0.21 1.23 -0.87 0.00 0.00 176.83 177.38 2jys h GLY 26 N 0.08 0.00 -5.65 -0.77 0.00 -1.94 -3.41 103.07 91.38 2jys h GLY 26 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2jys h GLY 26 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.92 2jys s ALA 27 N -4.37 3.57 -0.78 3.60 0.00 -0.15 -4.90 121.76 118.73 2jys s ALA 27 Ca -0.03 -0.09 0.24 0.00 0.00 0.00 0.00 51.96 52.08 2jys s ALA 27 Cb 0.14 -3.21 0.25 0.00 0.00 0.00 0.00 23.12 20.30 2jys s ALA 27 CO 0.66 -0.74 1.21 0.25 0.00 0.00 0.00 175.76 177.14 2jys n THR 28 N 4.94 0.14 -4.67 0.00 -2.24 -1.26 -3.90 114.28 107.28 2jys n THR 28 Ca 0.04 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 2jys n THR 28 Cb 0.48 0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 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 -3.11 1.37 0.35 2.28 1.10 -1.26 -4.70 121.20 117.23 2jys s ILE 29 Ca 0.07 -0.89 -0.28 0.00 -0.51 0.00 0.00 60.65 59.03 2jys s ILE 29 Cb 0.15 -1.17 -0.11 0.00 0.15 0.00 0.00 42.46 41.49 2jys s ILE 29 CO 0.75 0.26 1.41 -0.89 -2.11 0.00 0.00 174.94 174.37 2jys s THR 30 N -0.58 2.36 -0.15 4.00 2.01 -1.22 -4.58 115.64 117.47 2jys s THR 30 Ca 0.06 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2jys s THR 30 Cb -0.07 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.23 2jys s THR 30 CO 0.00 0.08 -0.20 0.00 -0.69 0.00 0.00 174.62 173.81 2jys s VAL 32 N 1.02 2.14 0.08 0.00 -7.23 -0.03 0.15 120.40 116.53 2jys s VAL 32 Ca -0.03 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.59 2jys s VAL 32 Cb -0.15 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2jys s VAL 32 CO -0.06 -0.32 0.99 -2.16 -0.31 0.00 0.00 175.10 173.24 2jys s PRO 33 N -3.61 4.64 0.61 4.82 0.04 -1.24 0.04 135.00 140.30 2jys s PRO 33 Ca 0.30 1.48 0.27 0.00 0.04 0.00 0.00 61.00 63.09 2jys s PRO 33 Cb 0.00 -3.39 1.20 0.00 0.04 0.00 0.00 34.50 32.35 2jys s PRO 33 CO 0.14 0.10 1.61 1.49 0.04 0.00 0.00 177.00 180.38 2jys h GLU 34 N 5.95 0.00 -0.75 4.56 4.81 -1.80 0.46 114.58 127.81 2jys h GLU 34 Ca -0.42 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 58.98 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 0.73 0.00 0.51 0.00 -0.73 0.00 0.00 179.01 179.52 2jys h ALA 35 N 1.00 2.30 -0.01 2.92 0.00 -1.90 0.53 119.26 124.10 2jys h ALA 35 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jys h ALA 35 Cb 1.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2jys h ALA 35 CO -0.00 -0.52 -0.27 1.19 0.00 0.00 0.00 179.25 179.65 2jys n PHE 36 N -4.44 0.00 0.13 0.00 3.01 0.16 -3.90 117.46 112.42 2jys n PHE 36 Ca 0.15 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.65 2jys n PHE 36 Cb 0.63 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 40.11 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 -0.23 2.20 0.09 4.37 4.32 0.16 -4.58 117.00 123.32 2jys n LEU 37 Ca 0.12 -1.47 0.20 0.00 -0.02 0.00 0.00 56.01 54.85 2jys n LEU 37 Cb 0.40 -0.09 0.74 0.00 -1.62 0.00 0.00 43.42 42.85 2jys n LEU 37 CO 0.25 0.50 1.18 -0.08 -1.22 0.00 0.00 177.39 178.02 2jys h GLU 38 N 1.65 0.00 0.00 3.23 4.81 -0.91 0.16 114.58 123.53 2jys h GLU 38 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2jys h GLU 38 Cb 0.51 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2jys h GLU 38 CO 0.00 0.00 -0.51 -0.25 -0.73 0.00 0.00 179.01 177.52 2jys n ASP 39 N -3.67 1.63 -4.88 1.04 8.00 -1.26 -5.04 116.55 112.37 2jys n ASP 39 Ca 0.08 -3.41 -0.28 0.00 0.71 0.00 0.00 54.79 51.88 2jys n ASP 39 Cb 0.65 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.55 3.22 -0.13 -1.24 0.41 0.57 -5.10 118.70 113.88 2jys s GLU 40 Ca 0.35 -0.63 0.01 0.00 -0.41 0.00 0.00 54.97 54.29 2jys s GLU 40 Cb 0.35 -2.87 -0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2jys s GLU 40 CO -0.07 0.54 -0.17 1.03 -0.49 0.00 0.00 175.26 176.10 2jys s ARG 41 N -2.87 3.20 -0.22 1.61 0.52 -1.26 -5.03 118.95 114.89 2jys s ARG 41 Ca 0.33 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 2jys s ARG 41 Cb -0.12 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 2jys s ARG 41 CO 0.26 0.10 1.47 -1.25 0.02 0.00 0.00 175.30 175.91 2jys s PRO 42 N 0.58 3.93 0.24 3.54 0.04 -1.26 -4.52 135.00 137.54 2jys s PRO 42 Ca -0.10 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 2jys s PRO 42 Cb -0.16 -3.95 0.27 0.00 0.04 0.00 0.00 34.50 30.71 2jys s PRO 42 CO 0.03 -1.12 1.67 -0.84 0.04 0.00 0.00 177.00 176.79 2jys h ILE 43 N 5.95 1.27 -3.97 0.56 3.07 -1.81 -3.45 117.51 119.12 2jys h ILE 43 Ca -0.31 -1.28 -0.20 0.00 1.55 0.00 0.00 64.86 64.62 2jys h ILE 43 Cb 1.13 1.22 -0.15 0.00 -0.27 0.00 0.00 36.82 38.76 2jys h ILE 43 CO 1.00 0.42 -0.68 -1.10 -1.05 0.00 0.00 178.15 176.74 2jys s GLN 44 N -4.60 0.82 0.12 0.16 -0.21 -1.24 -5.03 119.66 109.67 2jys s GLN 44 Ca -0.08 -1.34 0.08 0.00 0.02 0.00 0.00 55.36 54.04 2jys s GLN 44 Cb 0.13 -0.07 -0.04 0.00 1.00 0.00 0.00 33.01 34.04 2jys s GLN 44 CO 0.82 -0.07 -0.19 0.95 -2.12 0.00 0.00 175.29 174.67 2jys s THR 45 N -3.74 1.66 -0.00 -0.19 -4.23 -1.26 0.45 115.64 108.33 2jys s THR 45 Ca 0.13 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2jys s THR 45 Cb 0.06 -1.58 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 2jys s THR 45 CO -0.05 -0.16 0.07 -0.04 -0.54 0.00 0.00 174.62 173.91 2jys s MET 46 N -2.15 0.32 -0.23 3.99 -1.94 0.19 -4.87 119.30 114.60 2jys s MET 46 Ca 0.08 -0.31 -0.09 0.00 -1.71 0.00 0.00 55.69 53.66 2jys s MET 46 Cb -0.09 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.84 2jys s MET 46 CO 0.05 -0.07 0.12 -0.48 -0.01 0.00 0.00 175.02 174.63 2jys s LEU 47 N -0.99 3.90 -0.07 -0.03 2.34 -1.26 0.34 118.68 122.91 2jys s LEU 47 Ca -0.11 0.03 0.04 0.00 0.06 0.00 0.00 54.13 54.16 2jys s LEU 47 Cb -0.06 -2.04 -0.01 0.00 -0.56 0.00 0.00 46.19 43.52 2jys s LEU 47 CO 0.00 0.06 -0.21 -0.63 -1.06 0.00 0.00 176.35 174.52 2jys s ILE 48 N 1.06 2.39 -0.09 1.48 1.01 0.13 -4.88 121.20 122.31 2jys s ILE 48 Ca 0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 2jys s ILE 48 Cb -0.14 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2jys s ILE 48 CO 0.04 0.56 0.01 -0.54 0.00 0.00 0.00 174.94 175.02 2jys s LYS 49 N -0.10 3.03 0.21 2.79 1.02 -1.26 0.21 119.74 125.65 2jys s LYS 49 Ca -0.04 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 55.62 2jys s LYS 49 Cb -0.14 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2jys s LYS 49 CO 0.04 0.71 -0.08 0.95 -0.92 0.00 0.00 175.35 176.05 2jys s THR 50 N -0.88 1.38 0.31 2.17 -4.23 0.14 -4.92 115.64 109.61 2jys s THR 50 Ca 0.13 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2jys s THR 50 Cb -0.11 -2.16 0.30 0.00 1.34 0.00 0.00 72.50 71.87 2jys s THR 50 CO 0.02 -0.50 1.81 -0.29 -0.54 0.00 0.00 174.62 175.13 2jys h ILE 51 N 2.53 0.80 -0.61 2.99 2.10 -2.03 0.10 117.51 123.40 2jys h ILE 51 Ca -0.38 -0.29 -0.04 0.00 1.08 0.00 0.00 64.86 65.23 2jys h ILE 51 Cb 1.22 -0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.81 2jys h ILE 51 CO 0.64 0.15 0.20 0.45 -1.08 0.00 0.00 178.15 178.51 2jys h HIS 52 N 0.84 0.94 0.00 2.19 3.86 -2.03 -3.48 115.15 117.46 2jys h HIS 52 Ca 0.53 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2jys h HIS 52 Cb 0.73 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2jys h HIS 52 CO -0.00 0.75 0.00 0.41 0.86 0.00 0.00 177.93 179.94 2jys n GLY 53 N -0.92 -1.80 3.77 2.45 0.00 0.35 -5.13 105.19 103.92 2jys n GLY 53 Ca 0.05 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.64 4.23 -0.01 1.61 2.02 -1.26 0.27 118.70 123.92 2jys s GLU 54 Ca 0.00 0.58 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2jys s GLU 54 Cb 0.00 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 2jys s GLU 54 CO 0.00 0.40 -0.07 0.15 0.02 0.00 0.00 175.26 175.76 2jys s LYS 55 N -0.24 0.61 -0.27 1.61 1.02 0.13 -4.92 119.74 117.68 2jys s LYS 55 Ca 0.28 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.88 2jys s LYS 55 Cb -0.17 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2jys s LYS 55 CO 0.14 0.15 0.29 -1.14 -0.92 0.00 0.00 175.35 173.88 2jys s GLN 56 N -0.14 3.98 0.02 1.68 0.74 -1.26 0.22 119.66 124.90 2jys s GLN 56 Ca 0.02 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.33 2jys s GLN 56 Cb -0.03 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2jys s GLN 56 CO -0.00 -0.24 0.02 -0.65 -0.55 0.00 0.00 175.29 173.87 2jys s GLN 57 N 1.93 2.80 0.13 1.67 -1.52 0.15 -4.89 119.66 119.93 2jys s GLN 57 Ca 0.11 -0.64 0.07 0.00 -1.95 0.00 0.00 55.36 52.95 2jys s GLN 57 Cb -0.16 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 29.91 2jys s GLN 57 CO 0.10 0.61 -0.03 -0.51 -0.25 0.00 0.00 175.29 175.21 2jys s ASP 58 N -1.81 4.72 0.05 5.90 1.01 -1.26 0.53 116.67 125.81 2jys s ASP 58 Ca 0.22 -0.34 -0.08 0.00 0.71 0.00 0.00 52.55 53.06 2jys s ASP 58 Cb -0.12 -1.01 -0.05 0.00 1.01 0.00 0.00 42.92 42.75 2jys s ASP 58 CO 0.14 0.14 0.34 -0.69 0.21 0.00 0.00 175.17 175.30 2jys s VAL 59 N -1.47 5.19 -0.06 -1.27 1.01 0.17 -4.68 120.40 119.30 2jys s VAL 59 Ca 0.25 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2jys s VAL 59 Cb -0.10 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2jys s VAL 59 CO 0.17 0.30 -0.06 -0.31 0.00 0.00 0.00 175.10 175.20 2jys s TYR 60 N -1.37 1.00 -0.40 5.22 1.51 -0.71 -2.17 117.35 120.43 2jys s TYR 60 Ca 0.31 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.84 2jys s TYR 60 Cb -0.13 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.87 2jys s TYR 60 CO 0.18 -0.28 0.50 -0.47 -1.11 0.00 0.00 175.55 174.37 2jys s TYR 61 N 1.12 3.15 0.36 2.71 5.04 -1.26 0.17 117.35 128.64 2jys s TYR 61 Ca -0.07 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.52 2jys s TYR 61 Cb -0.14 -3.00 -0.07 0.00 0.35 0.00 0.00 41.96 39.10 2jys s TYR 61 CO -0.01 -0.68 -0.04 -0.51 -1.34 0.00 0.00 175.55 172.97 2jys s LEU 62 N 2.36 2.71 -0.21 6.97 1.43 -0.80 -4.96 118.68 126.19 2jys s LEU 62 Ca 0.16 -1.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2jys s LEU 62 Cb -0.16 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.23 2jys s LEU 62 CO 0.15 -0.34 -0.10 -0.89 0.23 0.00 0.00 176.35 175.40 2jys s THR 63 N -2.75 1.68 0.11 5.49 2.01 -1.26 -2.04 115.64 118.89 2jys s THR 63 Ca 0.33 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2jys s THR 63 Cb 0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2jys s THR 63 CO 0.16 0.14 -0.08 0.72 -0.69 0.00 0.00 174.62 174.87 2jys s PHE 64 N 1.37 1.01 -0.20 4.92 -0.71 -0.66 -4.08 117.98 119.64 2jys s PHE 64 Ca -0.02 -0.83 -0.19 0.00 -1.04 0.00 0.00 56.93 54.85 2jys s PHE 64 Cb -0.17 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 2jys s PHE 64 CO -0.08 -0.06 0.56 0.15 -1.34 0.00 0.00 175.22 174.44 2jys s LYS 65 N -3.65 4.19 -0.45 1.99 1.02 0.92 -0.64 119.74 123.12 2jys s LYS 65 Ca 0.12 0.48 -0.15 0.00 0.02 0.00 0.00 55.97 56.45 2jys s LYS 65 Cb 0.03 -3.57 0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2jys s LYS 65 CO -0.03 -0.19 0.35 0.08 -0.92 0.00 0.00 175.35 174.65 2jys s VAL 66 N 1.76 5.11 -1.34 3.17 1.01 0.30 -1.27 120.40 129.15 2jys s VAL 66 Ca 0.26 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2jys s VAL 66 Cb -0.16 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2jys s VAL 66 CO 0.10 -0.49 0.69 0.00 0.00 0.00 0.00 175.10 175.39 2jys n GLN 67 N 5.16 -5.15 -1.57 2.72 6.02 -1.12 -1.87 117.38 121.57 2jys n GLN 67 Ca -0.12 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2jys n GLN 67 Cb 0.44 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.23 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 -1.56 0.42 2.84 1.08 0.00 -1.26 -5.03 105.19 101.67 2jys n GLY 68 Ca -0.07 -0.94 -0.27 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 -3.16 1.13 0.04 1.61 0.52 -0.78 -5.09 118.95 113.21 2jys s ARG 69 Ca 0.00 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 2jys s ARG 69 Cb 0.00 -1.84 -0.09 0.00 0.52 0.00 0.00 34.95 33.54 2jys s ARG 69 CO 0.00 -0.45 1.95 0.21 0.02 0.00 0.00 175.30 177.03 2jys s LYS 70 N 1.74 4.14 -0.03 3.54 2.20 -1.26 0.11 119.74 130.18 2jys s LYS 70 Ca 0.01 2.60 -0.01 0.00 -0.36 0.00 0.00 55.97 58.21 2jys s LYS 70 Cb -0.15 -4.12 0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2jys s LYS 70 CO -0.07 -0.94 0.06 0.08 -0.36 0.00 0.00 175.35 174.11 2jys s VAL 71 N 4.34 -0.04 -0.08 4.02 1.01 0.18 -4.87 120.40 124.97 2jys s VAL 71 Ca 0.87 0.13 0.02 0.00 0.00 0.00 0.00 61.98 63.01 2jys s VAL 71 Cb -0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2jys s VAL 71 CO 0.41 0.05 -0.13 -1.61 0.00 0.00 0.00 175.10 173.82 2jys s GLU 72 N 0.72 2.83 0.23 2.72 2.02 -1.26 -1.64 118.70 124.32 2jys s GLU 72 Ca -0.06 -0.68 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 2jys s GLU 72 Cb -0.08 -2.48 0.04 0.00 0.10 0.00 0.00 34.13 31.71 2jys s GLU 72 CO -0.03 0.48 0.69 0.00 0.02 0.00 0.00 175.26 176.42 2jys s ALA 73 N -0.34 -1.38 0.08 5.21 0.00 -0.86 -5.00 121.76 119.47 2jys s ALA 73 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 2jys s ALA 73 Cb -0.13 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 2jys s ALA 73 CO 0.02 -0.94 0.93 -1.21 0.00 0.00 0.00 175.76 174.56 2jys s GLU 74 N -3.83 4.64 0.22 0.00 2.02 -1.26 -1.91 118.70 118.59 2jys s GLU 74 Ca 0.08 1.37 0.07 0.00 0.02 0.00 0.00 54.97 56.51 2jys s GLU 74 Cb -0.04 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 2jys s GLU 74 CO -0.00 0.17 -0.10 0.14 0.02 0.00 0.00 175.26 175.49 2jys s VAL 75 N 0.19 1.59 0.14 2.63 -7.23 0.45 -3.43 120.40 114.74 2jys s VAL 75 Ca 0.46 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2jys s VAL 75 Cb -0.22 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2jys s VAL 75 CO 0.28 -0.50 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.65 2jys s LEU 76 N -3.34 2.73 0.11 1.32 1.43 -0.82 -1.74 118.68 118.38 2jys s LEU 76 Ca 0.25 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 2jys s LEU 76 Cb 0.01 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 2jys s LEU 76 CO 0.08 0.15 0.96 0.00 0.23 0.00 0.00 176.35 177.77 2jys s ALA 77 N -1.34 3.24 0.02 4.21 0.00 -1.25 -0.85 121.76 125.79 2jys s ALA 77 Ca 0.20 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 2jys s ALA 77 Cb -0.10 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2jys s ALA 77 CO 0.11 -0.03 -0.03 0.45 0.00 0.00 0.00 175.76 176.27 2jys s SER 78 N 0.01 0.26 0.00 0.00 0.15 0.11 -4.78 113.70 109.44 2jys s SER 78 Ca 0.47 -0.54 0.17 0.00 0.70 0.00 0.00 55.95 56.75 2jys s SER 78 Cb -0.23 0.11 1.00 0.00 -1.71 0.00 0.00 66.02 65.19 2jys s SER 78 CO 0.30 -0.33 1.41 -0.81 1.20 0.00 0.00 173.24 175.02 2jys n PRO 79 N 1.47 0.52 -0.83 5.44 -0.04 -1.26 -2.56 135.00 137.74 2jys n PRO 79 Ca -0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 2jys n PRO 79 Cb 0.56 -1.50 0.21 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 -2.02 1.71 -0.21 0.54 2.02 -1.26 -4.94 117.35 113.19 2jys s TYR 80 Ca 0.25 1.15 0.15 0.00 -0.37 0.00 0.00 57.07 58.25 2jys s TYR 80 Cb 0.12 -3.17 0.53 0.00 -0.40 0.00 0.00 41.96 39.04 2jys s TYR 80 CO 0.20 -3.35 1.45 -0.40 -1.57 0.00 0.00 175.55 171.87 2jys n ASP 81 N -4.54 3.60 -0.08 2.29 5.68 -1.26 -4.61 116.55 117.64 2jys n ASP 81 Ca 0.05 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.14 2jys n ASP 81 Cb 0.55 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 -0.65 -0.02 -4.63 2.11 4.11 -1.26 -4.93 117.16 111.89 2jys n TYR 82 Ca 0.25 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.91 2jys n TYR 82 Cb 0.95 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 40.15 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 -1.47 1.43 -0.22 -3.48 1.01 -1.11 -3.59 121.20 113.78 2jys s ILE 83 Ca 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 2jys s ILE 83 Cb 0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2jys s ILE 83 CO 0.00 0.21 0.03 -0.76 0.00 0.00 0.00 174.94 174.42 2jys s LEU 84 N -0.92 3.34 -0.13 2.97 1.02 0.39 -0.22 118.68 125.13 2jys s LEU 84 Ca 0.06 -0.19 -0.06 0.00 0.02 0.00 0.00 54.13 53.95 2jys s LEU 84 Cb -0.08 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 2jys s LEU 84 CO 0.01 0.03 0.10 -0.76 0.02 0.00 0.00 176.35 175.75 2jys s LEU 85 N 1.20 4.10 0.25 1.79 2.01 -0.44 -0.72 118.68 126.87 2jys s LEU 85 Ca 0.04 0.31 0.05 0.00 0.01 0.00 0.00 54.13 54.54 2jys s LEU 85 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 2jys s LEU 85 CO 0.02 0.34 0.38 0.54 1.01 0.00 0.00 176.35 178.64 2jys s ASN 86 N -0.65 6.31 0.35 2.29 4.22 -1.26 -2.07 114.94 124.13 2jys s ASN 86 Ca 0.12 0.09 0.15 0.00 -2.14 0.00 0.00 52.86 51.08 2jys s ASN 86 Cb -0.12 -1.85 0.61 0.00 1.28 0.00 0.00 41.25 41.17 2jys s ASN 86 CO 0.02 -0.10 1.72 1.55 -2.04 0.00 0.00 177.10 178.26 2jys h PRO 87 N 1.13 0.00 -0.38 3.55 0.13 -1.76 -2.28 132.00 132.39 2jys h PRO 87 Ca -0.52 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 2jys h PRO 87 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jys h PRO 87 CO 0.61 0.44 -0.34 0.77 -0.23 0.00 0.00 178.00 179.25 2jys h SER 88 N 0.00 0.91 -0.09 1.44 0.02 -1.86 -2.86 113.55 111.11 2jys h SER 88 Ca -0.00 -0.39 -0.24 0.00 -0.84 0.00 0.00 61.79 60.32 2jys h SER 88 Cb 0.90 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2jys h SER 88 CO 0.06 1.16 -0.88 -2.24 -1.14 0.00 0.00 176.83 173.79 2jys h ASP 89 N 0.72 0.93 -3.28 3.07 3.04 -1.85 -3.36 116.42 115.69 2jys h ASP 89 Ca 0.07 -0.67 -0.69 0.00 -3.24 0.00 0.00 57.03 52.49 2jys h ASP 89 Cb 0.90 -0.28 -0.36 0.00 -1.04 0.00 0.00 39.33 38.55 2jys h ASP 89 CO 0.08 1.46 -0.15 1.33 -2.04 0.00 0.00 179.24 179.93 2jys n VAL 90 N -3.92 2.86 0.13 4.15 0.24 -0.87 -4.88 118.33 116.04 2jys n VAL 90 Ca -0.09 -5.09 -0.01 0.00 -2.04 0.00 0.00 64.34 57.11 2jys n VAL 90 Cb 0.80 -2.35 0.25 0.00 -1.47 0.00 0.00 33.84 31.06 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 5.89 0.13 0.00 7.34 0.13 -1.67 -2.76 132.00 141.06 2jys h PRO 91 Ca 0.16 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2jys h PRO 91 Cb 0.80 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2jys h PRO 91 CO 0.84 0.55 -0.03 0.11 -0.23 0.00 0.00 178.00 179.25 2jys h TRP 92 N 0.11 0.00 -5.57 1.56 0.09 -1.89 -3.47 115.95 106.78 2jys h TRP 92 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 58.89 58.78 2jys h TRP 92 Cb 0.83 0.00 0.12 0.00 0.08 0.00 0.00 29.16 30.19 2jys h TRP 92 CO 0.01 0.03 -0.63 1.28 0.09 0.00 0.00 178.44 179.21 2jys n LEU 93 N -3.28 -5.50 -0.91 0.11 7.99 -1.04 -4.69 117.00 109.68 2jys n LEU 93 Ca -0.02 -0.58 0.12 0.00 -0.01 0.00 0.00 56.01 55.52 2jys n LEU 93 Cb 0.17 -3.09 -0.04 0.00 -0.11 0.00 0.00 43.42 40.35 2jys n LEU 93 CO 0.25 -0.19 -0.29 0.23 -1.51 0.00 0.00 177.39 175.88 2jys n MET 94 N -2.92 -1.97 -2.52 3.23 2.81 -1.26 -4.76 117.12 109.73 2jys n MET 94 Ca -0.06 1.47 -0.41 0.00 -1.81 0.00 0.00 57.70 56.89 2jys n MET 94 Cb 0.58 -2.35 -0.04 0.00 -0.71 0.00 0.00 33.22 30.71 2jys n MET 94 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jys s LYS 95 N -2.80 4.61 0.00 0.03 2.20 -1.26 -4.58 119.74 117.93 2jys s LYS 95 Ca 0.00 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 2jys s LYS 95 Cb 0.00 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2jys s LYS 95 CO 0.00 0.11 0.00 1.17 -0.36 0.00 0.00 175.35 176.27 2jys n LYS 96 N 2.18 0.00 -2.21 4.03 4.81 -1.26 -5.14 118.16 120.57 2jys n LYS 96 Ca 0.02 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.07 2jys n LYS 96 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.50 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 0.00 4.03 0.00 1.64 0.04 -1.26 -5.24 135.00 134.21 2jys s PRO 97 Ca 0.00 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2jys s PRO 97 Cb 0.00 -2.71 0.41 0.00 0.04 0.00 0.00 34.50 32.24 2jys s PRO 97 CO 0.00 -0.37 0.88 1.28 0.04 0.00 0.00 177.00 178.82