#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 2.86 0.97 3.69 0.04 -1.26 -4.92 135.00 136.37 2jys s PRO 9 Ca 0.00 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 2jys s PRO 9 Cb 0.00 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.80 2jys s PRO 9 CO 0.00 -1.20 1.32 -0.51 0.04 0.00 0.00 177.00 176.65 2jys s LEU 10 N -4.82 2.79 -0.07 -3.56 1.43 0.96 -4.75 118.68 110.65 2jys s LEU 10 Ca 0.67 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2jys s LEU 10 Cb -0.20 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2jys s LEU 10 CO 0.41 -2.82 -0.07 -0.70 0.23 0.00 0.00 176.35 173.40 2jys s GLU 11 N -5.88 2.82 -0.02 1.70 2.12 -1.26 -1.06 118.70 117.12 2jys s GLU 11 Ca 0.76 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.43 2jys s GLU 11 Cb -0.02 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.77 2jys s GLU 11 CO 0.53 0.63 0.22 0.00 -0.54 0.00 0.00 175.26 176.10 2jys s ALA 12 N -0.71 -0.54 -0.16 6.30 0.00 -0.79 -2.48 121.76 123.39 2jys s ALA 12 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 2jys s ALA 12 Cb -0.11 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2jys s ALA 12 CO 0.02 -0.22 -0.06 -2.00 0.00 0.00 0.00 175.76 173.50 2jys s GLU 13 N -1.16 1.44 -0.16 0.00 2.12 -0.84 -1.02 118.70 119.08 2jys s GLU 13 Ca -0.12 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 2jys s GLU 13 Cb -0.06 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 2jys s GLU 13 CO 0.02 -0.40 -0.07 0.42 -0.54 0.00 0.00 175.26 174.69 2jys s ILE 14 N 1.65 3.44 -1.81 -3.70 1.01 0.10 -1.12 121.20 120.77 2jys s ILE 14 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2jys s ILE 14 Cb -0.15 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2jys s ILE 14 CO -0.08 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.64 2jys n LYS 15 N 3.87 -1.61 0.00 2.79 5.02 -1.26 0.29 118.16 127.25 2jys n LYS 15 Ca -0.18 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2jys n LYS 15 Cb 0.52 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 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 -0.64 1.69 3.69 0.72 0.00 -1.26 -5.01 105.19 104.37 2jys n GLY 16 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -2.48 4.75 -0.30 2.61 2.01 0.14 -5.00 115.64 117.37 2jys s THR 17 Ca 0.00 2.02 -0.22 0.00 0.31 0.00 0.00 61.69 63.80 2jys s THR 17 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2jys s THR 17 CO 0.00 0.01 0.69 -0.75 -0.69 0.00 0.00 174.62 173.88 2jys s LYS 18 N 2.00 3.93 0.07 4.92 2.20 -1.26 -0.72 119.74 130.88 2jys s LYS 18 Ca 0.49 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 2jys s LYS 18 Cb -0.19 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2jys s LYS 18 CO 0.18 -0.61 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.99 2jys s LEU 19 N 2.75 2.42 0.38 5.43 1.43 -0.18 -5.01 118.68 125.88 2jys s LEU 19 Ca 0.28 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2jys s LEU 19 Cb -0.15 -0.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.93 2jys s LEU 19 CO 0.12 -0.39 0.79 -0.54 0.23 0.00 0.00 176.35 176.56 2jys s LYS 20 N -3.05 3.96 0.39 1.70 1.02 -1.26 -1.88 119.74 120.62 2jys s LYS 20 Ca 0.03 0.69 0.05 0.00 0.02 0.00 0.00 55.97 56.77 2jys s LYS 20 Cb 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2jys s LYS 20 CO -0.04 0.04 0.19 0.00 -0.92 0.00 0.00 175.35 174.63 2jys n ALA 21 N -0.77 0.63 -3.51 5.17 0.00 -0.22 -3.48 120.51 118.33 2jys n ALA 21 Ca 0.04 -2.07 -0.20 0.00 0.00 0.00 0.00 53.44 51.21 2jys n ALA 21 Cb 0.54 1.48 -0.16 0.00 0.00 0.00 0.00 19.45 21.31 2jys n ALA 21 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jys s HIS 22 N -3.20 0.75 -0.27 0.00 3.76 -0.46 -0.03 115.29 115.84 2jys s HIS 22 Ca 0.27 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.77 2jys s HIS 22 Cb 0.01 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 33.06 2jys s HIS 22 CO 0.19 -0.17 0.70 -0.46 -0.85 0.00 0.00 174.74 174.15 2jys s TRP 23 N 0.75 3.26 -0.29 1.40 -0.00 -1.26 -0.54 118.94 122.26 2jys s TRP 23 Ca -0.10 0.84 0.00 0.00 -0.00 0.00 0.00 56.10 56.84 2jys s TRP 23 Cb -0.13 -2.97 0.09 0.00 -0.00 0.00 0.00 33.47 30.45 2jys s TRP 23 CO 0.00 -0.41 0.05 -0.51 -0.00 0.00 0.00 176.95 176.08 2jys s ASP 24 N 1.50 4.06 0.48 5.86 1.01 -1.20 -4.95 116.67 123.43 2jys s ASP 24 Ca 0.29 -1.58 0.19 0.00 0.71 0.00 0.00 52.55 52.15 2jys s ASP 24 Cb -0.15 -1.08 1.21 0.00 1.01 0.00 0.00 42.92 43.91 2jys s ASP 24 CO 0.09 -0.36 2.00 -1.28 0.21 0.00 0.00 175.17 175.83 2jys h SER 25 N 7.97 0.18 -0.78 0.27 0.87 -1.95 -0.06 113.55 120.05 2jys h SER 25 Ca -0.13 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2jys h SER 25 Cb 1.04 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 2jys h SER 25 CO 0.46 0.11 0.51 1.23 -0.53 0.00 0.00 176.83 178.61 2jys h GLY 26 N 0.20 1.09 -2.99 5.77 0.00 -1.94 -3.42 103.07 101.78 2jys h GLY 26 Ca 0.25 -0.39 -0.52 0.00 0.00 0.00 0.00 47.33 46.67 2jys h GLY 26 CO -0.04 0.35 0.53 0.00 0.00 0.00 0.00 176.54 177.38 2jys s ALA 27 N -5.84 3.07 -0.65 3.60 0.00 -0.04 -4.93 121.76 116.97 2jys s ALA 27 Ca -0.11 1.05 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2jys s ALA 27 Cb 0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2jys s ALA 27 CO 0.78 -0.74 0.51 0.25 0.00 0.00 0.00 175.76 176.56 2jys n THR 28 N -0.26 0.00 -3.90 0.00 -2.24 -1.26 -4.13 114.28 102.48 2jys n THR 28 Ca 0.06 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2jys n THR 28 Cb 0.46 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.25 0.06 0.36 2.28 2.07 -1.26 -4.79 121.20 118.67 2jys s ILE 29 Ca 0.06 -0.52 -0.28 0.00 -1.41 0.00 0.00 60.65 58.50 2jys s ILE 29 Cb 0.06 -0.24 -0.10 0.00 0.13 0.00 0.00 42.46 42.31 2jys s ILE 29 CO 0.21 -0.29 1.30 -0.89 -1.91 0.00 0.00 174.94 173.36 2jys s THR 30 N -0.89 2.71 -0.03 4.00 2.01 -1.25 -4.49 115.64 117.69 2jys s THR 30 Ca -0.10 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.63 2jys s THR 30 Cb -0.06 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.03 2jys s THR 30 CO 0.00 0.14 -0.17 0.00 -0.69 0.00 0.00 174.62 173.90 2jys s VAL 32 N -0.05 0.92 0.02 0.00 -7.23 -0.53 0.12 120.40 113.64 2jys s VAL 32 Ca -0.01 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 2jys s VAL 32 Cb -0.10 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2jys s VAL 32 CO 0.01 -0.38 1.05 -2.16 -0.31 0.00 0.00 175.10 173.31 2jys s PRO 33 N -3.88 4.52 0.58 4.82 0.04 -1.24 -0.67 135.00 139.17 2jys s PRO 33 Ca 0.27 1.53 0.39 0.00 0.04 0.00 0.00 61.00 63.22 2jys s PRO 33 Cb 0.06 -3.43 1.38 0.00 0.04 0.00 0.00 34.50 32.54 2jys s PRO 33 CO 0.07 -0.12 1.48 1.49 0.04 0.00 0.00 177.00 179.96 2jys h GLU 34 N 6.81 0.00 -0.77 4.56 4.81 -1.84 0.80 114.58 128.95 2jys h GLU 34 Ca -0.41 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.04 2jys h GLU 34 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2jys h GLU 34 CO 0.77 0.00 0.63 0.00 -0.73 0.00 0.00 179.01 179.68 2jys h ALA 35 N 0.84 2.64 -0.01 2.92 0.00 -1.90 1.10 119.26 124.86 2jys h ALA 35 Ca 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2jys h ALA 35 Cb 3.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 21.12 2jys h ALA 35 CO -0.01 -1.03 -0.64 1.19 0.00 0.00 0.00 179.25 178.77 2jys n PHE 36 N -4.02 0.00 0.59 0.00 3.01 0.28 -4.05 117.46 113.27 2jys n PHE 36 Ca 0.16 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.68 2jys n PHE 36 Cb 0.91 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 40.29 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 -0.96 1.32 -0.10 4.37 4.77 0.34 -4.48 117.00 122.26 2jys n LEU 37 Ca 0.07 -0.73 0.27 0.00 -0.03 0.00 0.00 56.01 55.59 2jys n LEU 37 Cb 0.37 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.14 2jys n LEU 37 CO 0.35 0.26 1.24 -0.33 -1.33 0.00 0.00 177.39 177.58 2jys h GLU 38 N 1.28 0.00 0.00 3.23 5.08 -0.44 0.58 114.58 124.31 2jys h GLU 38 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jys h GLU 38 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2jys h GLU 38 CO 0.00 0.00 -0.36 -0.25 -1.00 0.00 0.00 179.01 177.40 2jys n ASP 39 N -3.75 1.83 -4.92 1.42 8.00 -1.26 -5.04 116.55 112.82 2jys n ASP 39 Ca 0.16 -3.44 -0.22 0.00 0.71 0.00 0.00 54.79 52.00 2jys n ASP 39 Cb 1.01 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.80 3.29 -0.09 -1.24 0.41 0.20 -5.11 118.70 113.37 2jys s GLU 40 Ca 0.34 -0.81 0.04 0.00 -0.41 0.00 0.00 54.97 54.14 2jys s GLU 40 Cb 0.33 -2.81 -0.00 0.00 -1.78 0.00 0.00 34.13 29.86 2jys s GLU 40 CO -0.04 0.44 -0.23 -0.98 -0.49 0.00 0.00 175.26 173.96 2jys s ARG 41 N -3.79 2.92 -0.12 1.61 1.70 -1.26 -5.03 118.95 114.99 2jys s ARG 41 Ca 0.34 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.45 2jys s ARG 41 Cb -0.09 -2.23 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 2jys s ARG 41 CO 0.28 0.19 1.45 -1.25 -1.08 0.00 0.00 175.30 174.89 2jys s PRO 42 N 0.32 4.19 0.18 3.89 0.04 -1.26 -4.44 135.00 137.92 2jys s PRO 42 Ca -0.17 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 2jys s PRO 42 Cb -0.17 -3.88 0.07 0.00 0.04 0.00 0.00 34.50 30.56 2jys s PRO 42 CO 0.08 -0.80 1.44 -0.84 0.04 0.00 0.00 177.00 176.92 2jys h ILE 43 N 5.56 1.40 -4.16 0.56 3.07 -1.86 -3.46 117.51 118.62 2jys h ILE 43 Ca -0.32 -2.21 -0.13 0.00 1.55 0.00 0.00 64.86 63.75 2jys h ILE 43 Cb 1.14 2.17 -0.17 0.00 -0.27 0.00 0.00 36.82 39.69 2jys h ILE 43 CO 0.97 0.66 -0.68 -1.10 -1.05 0.00 0.00 178.15 176.94 2jys s GLN 44 N -3.55 0.53 0.18 0.16 -0.21 -1.24 -5.05 119.66 110.48 2jys s GLN 44 Ca -0.05 -1.05 0.08 0.00 0.02 0.00 0.00 55.36 54.36 2jys s GLN 44 Cb 0.11 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 34.26 2jys s GLN 44 CO 0.83 -0.09 -0.16 0.95 -2.12 0.00 0.00 175.29 174.70 2jys s THR 45 N -3.25 1.75 0.04 -0.19 -4.23 -1.26 -0.66 115.64 107.85 2jys s THR 45 Ca 0.01 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2jys s THR 45 Cb 0.03 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2jys s THR 45 CO -0.08 -0.45 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.41 2jys s MET 46 N -3.17 0.71 -0.20 3.99 -1.94 0.29 -4.89 119.30 114.09 2jys s MET 46 Ca 0.18 -0.69 -0.08 0.00 -1.71 0.00 0.00 55.69 53.39 2jys s MET 46 Cb -0.03 -0.64 -0.04 0.00 2.01 0.00 0.00 34.83 36.12 2jys s MET 46 CO 0.07 0.15 0.09 -1.17 -0.01 0.00 0.00 175.02 174.14 2jys s LEU 47 N -1.19 3.86 -0.06 -0.03 2.96 -1.26 -1.92 118.68 121.05 2jys s LEU 47 Ca -0.02 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2jys s LEU 47 Cb -0.08 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 2jys s LEU 47 CO 0.01 0.13 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.35 2jys s ILE 48 N 0.67 2.63 -0.07 6.68 1.01 0.72 -4.95 121.20 127.89 2jys s ILE 48 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2jys s ILE 48 Cb -0.13 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.34 2jys s ILE 48 CO 0.01 0.57 -0.16 -0.75 0.00 0.00 0.00 174.94 174.62 2jys s LYS 49 N -0.42 2.06 0.16 2.79 2.20 -1.26 0.77 119.74 126.04 2jys s LYS 49 Ca 0.04 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 2jys s LYS 49 Cb -0.12 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 2jys s LYS 49 CO 0.02 0.08 -0.13 0.95 -0.36 0.00 0.00 175.35 175.90 2jys s THR 50 N 0.55 1.45 0.41 3.43 -4.23 0.14 -4.92 115.64 112.48 2jys s THR 50 Ca -0.15 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.48 2jys s THR 50 Cb -0.16 -1.82 0.33 0.00 1.34 0.00 0.00 72.50 72.18 2jys s THR 50 CO 0.05 -0.57 1.96 -0.29 -0.54 0.00 0.00 174.62 175.23 2jys h ILE 51 N 2.95 0.90 -0.44 2.99 2.10 -2.03 -0.81 117.51 123.17 2jys h ILE 51 Ca -0.38 -0.17 -0.13 0.00 1.08 0.00 0.00 64.86 65.26 2jys h ILE 51 Cb 1.20 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 2jys h ILE 51 CO 0.58 0.09 -0.22 -0.74 -1.08 0.00 0.00 178.15 176.78 2jys h HIS 52 N 0.49 1.07 0.00 2.19 2.76 -2.04 -3.48 115.15 116.14 2jys h HIS 52 Ca 0.31 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jys h HIS 52 Cb 0.56 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2jys h HIS 52 CO -0.00 1.07 0.00 0.41 -1.30 0.00 0.00 177.93 178.11 2jys n GLY 53 N -0.07 -1.25 3.79 5.26 0.00 -0.31 -5.14 105.19 107.48 2jys n GLY 53 Ca -0.01 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.15 3.91 0.05 1.61 2.02 -1.26 0.25 118.70 125.13 2jys s GLU 54 Ca 0.00 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 54.95 2jys s GLU 54 Cb 0.00 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2jys s GLU 54 CO 0.00 0.49 -0.17 0.15 0.02 0.00 0.00 175.26 175.75 2jys s LYS 55 N -0.21 2.07 -0.19 1.61 1.02 0.23 -4.93 119.74 119.35 2jys s LYS 55 Ca 0.12 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 2jys s LYS 55 Cb -0.12 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 2jys s LYS 55 CO 0.02 0.53 -0.10 -1.14 -0.92 0.00 0.00 175.35 173.74 2jys s GLN 56 N -1.56 3.31 -0.06 1.68 0.74 -1.26 -0.20 119.66 122.31 2jys s GLN 56 Ca 0.16 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.92 2jys s GLN 56 Cb -0.11 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.19 2jys s GLN 56 CO 0.06 -0.07 -0.16 -1.14 -0.55 0.00 0.00 175.29 173.43 2jys s GLN 57 N 1.09 1.87 0.18 1.67 2.00 -0.81 -4.96 119.66 120.72 2jys s GLN 57 Ca 0.00 -0.55 0.11 0.00 -2.00 0.00 0.00 55.36 52.92 2jys s GLN 57 Cb -0.15 -1.56 -0.04 0.00 0.80 0.00 0.00 33.01 32.06 2jys s GLN 57 CO -0.02 0.15 -0.23 -0.51 -0.50 0.00 0.00 175.29 174.17 2jys s ASP 58 N 0.32 3.26 0.10 6.67 1.01 -1.26 0.10 116.67 126.87 2jys s ASP 58 Ca -0.10 -0.85 -0.01 0.00 0.71 0.00 0.00 52.55 52.30 2jys s ASP 58 Cb -0.14 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2jys s ASP 58 CO 0.04 0.09 0.27 0.68 0.21 0.00 0.00 175.17 176.46 2jys s VAL 59 N -1.68 5.31 -0.08 -1.27 -7.23 0.17 -4.79 120.40 110.83 2jys s VAL 59 Ca 0.19 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2jys s VAL 59 Cb -0.08 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.24 2jys s VAL 59 CO 0.09 0.08 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.53 2jys s TYR 60 N -1.59 1.51 -0.37 2.82 1.51 -0.60 -2.50 117.35 118.13 2jys s TYR 60 Ca 0.37 -0.63 -0.23 0.00 -1.01 0.00 0.00 57.07 55.57 2jys s TYR 60 Cb -0.13 -1.14 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2jys s TYR 60 CO 0.27 -0.36 0.80 -0.47 -1.11 0.00 0.00 175.55 174.68 2jys s TYR 61 N 0.96 3.10 0.31 2.71 5.04 -1.26 0.14 117.35 128.35 2jys s TYR 61 Ca -0.09 0.55 0.10 0.00 -2.44 0.00 0.00 57.07 55.19 2jys s TYR 61 Cb -0.15 -3.44 -0.06 0.00 0.35 0.00 0.00 41.96 38.66 2jys s TYR 61 CO 0.00 -0.76 -0.12 -0.51 -1.34 0.00 0.00 175.55 172.82 2jys s LEU 62 N 3.15 2.66 -0.14 6.97 1.43 -0.25 -4.94 118.68 127.55 2jys s LEU 62 Ca 0.32 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 2jys s LEU 62 Cb -0.13 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2jys s LEU 62 CO 0.17 -0.15 -0.15 -0.89 0.23 0.00 0.00 176.35 175.56 2jys s THR 63 N -2.64 1.60 0.14 5.49 2.01 -1.26 -2.08 115.64 118.89 2jys s THR 63 Ca 0.31 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 2jys s THR 63 Cb 0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 2jys s THR 63 CO 0.15 0.46 0.20 0.72 -0.69 0.00 0.00 174.62 175.47 2jys s PHE 64 N 1.37 0.47 -0.06 4.92 -0.71 -0.62 -4.27 117.98 119.07 2jys s PHE 64 Ca 0.03 -0.85 -0.19 0.00 -1.04 0.00 0.00 56.93 54.88 2jys s PHE 64 Cb -0.13 -0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.46 2jys s PHE 64 CO -0.09 -0.63 0.51 0.15 -1.34 0.00 0.00 175.22 173.82 2jys s LYS 65 N -3.97 4.28 -0.46 1.99 1.02 -0.28 -1.12 119.74 121.21 2jys s LYS 65 Ca 0.16 0.55 -0.04 0.00 0.02 0.00 0.00 55.97 56.66 2jys s LYS 65 Cb 0.05 -3.38 0.12 0.00 -0.52 0.00 0.00 37.83 34.10 2jys s LYS 65 CO -0.02 0.29 0.28 0.08 -0.92 0.00 0.00 175.35 175.07 2jys s VAL 66 N 0.14 3.60 -1.27 3.17 1.01 0.35 -1.99 120.40 125.42 2jys s VAL 66 Ca 0.28 -2.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 2jys s VAL 66 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2jys s VAL 66 CO 0.13 -0.75 0.62 0.00 0.00 0.00 0.00 175.10 175.11 2jys n GLN 67 N 4.47 -4.71 -1.87 2.72 6.02 -1.03 -2.55 117.38 120.44 2jys n GLN 67 Ca -0.02 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2jys n GLN 67 Cb 0.41 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.34 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 -1.49 0.81 2.81 1.08 0.00 -1.26 -5.06 105.19 102.08 2jys n GLY 68 Ca -0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.81 0.01 -0.04 1.61 0.52 -1.06 -5.11 118.95 111.06 2jys s ARG 69 Ca 0.00 0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 2jys s ARG 69 Cb 0.00 -0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 2jys s ARG 69 CO 0.00 -0.25 1.49 0.21 0.02 0.00 0.00 175.30 176.77 2jys s LYS 70 N 1.73 4.23 -0.03 3.54 2.20 -1.26 0.13 119.74 130.29 2jys s LYS 70 Ca -0.02 2.02 -0.01 0.00 -0.36 0.00 0.00 55.97 57.60 2jys s LYS 70 Cb -0.12 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2jys s LYS 70 CO -0.05 -0.71 0.05 0.08 -0.36 0.00 0.00 175.35 174.37 2jys s VAL 71 N 3.19 -0.03 -0.06 4.02 1.01 -0.27 -4.90 120.40 123.35 2jys s VAL 71 Ca 0.66 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.79 2jys s VAL 71 Cb -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2jys s VAL 71 CO 0.26 0.04 -0.17 -1.61 0.00 0.00 0.00 175.10 173.63 2jys s GLU 72 N 0.59 1.99 0.27 2.72 2.02 -1.26 -1.59 118.70 123.44 2jys s GLU 72 Ca -0.05 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.24 2jys s GLU 72 Cb -0.07 -1.64 0.04 0.00 0.10 0.00 0.00 34.13 32.56 2jys s GLU 72 CO -0.02 0.16 0.56 0.00 0.02 0.00 0.00 175.26 175.99 2jys n ALA 73 N 3.43 -1.28 -1.84 5.21 0.00 -0.88 -4.97 120.51 120.18 2jys n ALA 73 Ca -0.20 -0.89 -0.32 0.00 0.00 0.00 0.00 53.44 52.03 2jys n ALA 73 Cb 0.53 0.70 -0.04 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.06 3.96 0.06 0.00 2.02 -1.26 -1.09 118.70 120.32 2jys s GLU 74 Ca 0.11 0.98 -0.07 0.00 0.02 0.00 0.00 54.97 56.02 2jys s GLU 74 Cb -0.03 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 2jys s GLU 74 CO 0.08 -0.26 0.13 0.08 0.02 0.00 0.00 175.26 175.30 2jys s VAL 75 N -2.58 0.15 0.04 2.63 1.01 0.37 -3.85 120.40 118.17 2jys s VAL 75 Ca 0.59 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2jys s VAL 75 Cb -0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2jys s VAL 75 CO 0.30 -0.67 -0.21 -0.22 0.00 0.00 0.00 175.10 174.30 2jys s LEU 76 N -2.53 2.44 0.18 3.92 2.96 -0.87 -1.56 118.68 123.22 2jys s LEU 76 Ca 0.01 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 2jys s LEU 76 Cb 0.03 -1.43 -0.07 0.00 0.50 0.00 0.00 46.19 45.21 2jys s LEU 76 CO -0.08 0.26 0.95 0.00 -1.32 0.00 0.00 176.35 176.17 2jys s ALA 77 N -0.86 3.29 0.01 5.97 0.00 -1.26 -1.45 121.76 127.46 2jys s ALA 77 Ca 0.13 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2jys s ALA 77 Cb -0.10 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2jys s ALA 77 CO 0.04 0.10 0.05 0.45 0.00 0.00 0.00 175.76 176.39 2jys s SER 78 N -0.62 0.14 0.00 0.00 0.15 0.15 -4.82 113.70 108.71 2jys s SER 78 Ca 0.44 -0.37 0.09 0.00 0.70 0.00 0.00 55.95 56.80 2jys s SER 78 Cb -0.25 0.15 0.52 0.00 -1.71 0.00 0.00 66.02 64.74 2jys s SER 78 CO 0.31 -0.34 1.05 -0.81 1.20 0.00 0.00 173.24 174.64 2jys n PRO 79 N 1.49 0.63 -0.56 5.44 -0.04 -1.26 -2.89 135.00 137.80 2jys n PRO 79 Ca -0.23 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.95 2jys n PRO 79 Cb 0.55 -1.21 0.25 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.71 -3.73 -0.51 0.54 4.01 -1.26 -4.96 117.16 110.53 2jys n TYR 80 Ca 0.07 -0.82 0.05 0.00 -0.16 0.00 0.00 57.90 57.03 2jys n TYR 80 Cb 0.03 -1.09 0.08 0.00 -0.31 0.00 0.00 39.34 38.05 2jys n TYR 80 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jys n ASP 81 N -5.16 2.31 0.00 7.72 8.00 -1.26 -4.73 116.55 123.43 2jys n ASP 81 Ca 0.13 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.13 2jys n ASP 81 Cb 0.54 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.82 0.00 -4.47 1.24 4.11 -1.26 -4.99 117.16 110.97 2jys n TYR 82 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.74 2jys n TYR 82 Cb 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.63 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 -0.63 1.12 0.11 -3.48 1.01 -1.23 -3.62 121.20 114.48 2jys s ILE 83 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 2jys s ILE 83 Cb 0.00 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.36 2jys s ILE 83 CO 0.00 0.36 0.80 -0.76 0.00 0.00 0.00 174.94 175.33 2jys s LEU 84 N 0.84 4.52 -0.05 2.97 1.43 0.32 -1.35 118.68 127.36 2jys s LEU 84 Ca -0.11 1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 54.54 2jys s LEU 84 Cb -0.15 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2jys s LEU 84 CO 0.02 0.09 0.12 -0.76 0.23 0.00 0.00 176.35 176.05 2jys s LEU 85 N -0.52 4.14 -0.16 1.79 1.43 0.30 -1.48 118.68 124.18 2jys s LEU 85 Ca 0.38 0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 53.71 2jys s LEU 85 Cb -0.22 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2jys s LEU 85 CO 0.25 0.32 0.08 0.21 0.23 0.00 0.00 176.35 177.45 2jys s ASN 86 N -1.51 5.86 0.39 2.29 2.47 -1.26 -3.25 114.94 119.93 2jys s ASN 86 Ca 0.21 0.20 0.13 0.00 0.42 0.00 0.00 52.86 53.82 2jys s ASN 86 Cb -0.12 -1.96 0.80 0.00 -1.45 0.00 0.00 41.25 38.53 2jys s ASN 86 CO 0.11 0.25 1.88 1.55 -3.72 0.00 0.00 177.10 177.17 2jys h PRO 87 N 6.17 0.03 0.00 0.43 0.13 -1.77 -2.53 132.00 134.46 2jys h PRO 87 Ca -0.43 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 2jys h PRO 87 Cb 1.18 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2jys h PRO 87 CO 0.67 0.32 -0.86 0.77 -0.23 0.00 0.00 178.00 178.68 2jys h SER 88 N 0.03 0.16 0.77 1.44 0.02 -1.86 -3.11 113.55 111.00 2jys h SER 88 Ca 0.00 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2jys h SER 88 Cb 0.54 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2jys h SER 88 CO 0.04 0.94 -0.55 0.44 -1.14 0.00 0.00 176.83 176.56 2jys h ASP 89 N 0.07 0.00 -2.76 3.07 3.32 -1.81 -3.35 116.42 114.95 2jys h ASP 89 Ca -0.03 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.41 2jys h ASP 89 Cb 1.49 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.63 2jys h ASP 89 CO 0.12 0.55 -0.66 1.33 -1.72 0.00 0.00 179.24 178.86 2jys n VAL 90 N -3.64 1.22 0.27 -1.35 0.24 -0.98 -4.90 118.33 109.18 2jys n VAL 90 Ca -0.01 -4.67 0.17 0.00 -2.04 0.00 0.00 64.34 57.79 2jys n VAL 90 Cb 0.60 -2.08 0.67 0.00 -1.47 0.00 0.00 33.84 31.57 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 5.14 0.00 0.00 7.34 0.13 -1.70 -2.88 132.00 140.04 2jys h PRO 91 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 2jys h PRO 91 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 2jys h PRO 91 CO 0.67 0.02 -0.82 0.11 -0.23 0.00 0.00 178.00 177.75 2jys h TRP 92 N 0.00 0.00 -0.84 1.56 0.09 -1.90 -3.26 115.95 111.60 2jys h TRP 92 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 58.89 59.03 2jys h TRP 92 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 29.71 2jys h TRP 92 CO 0.00 0.74 0.55 1.25 0.09 0.00 0.00 178.44 181.08 2jys h LEU 93 N 0.00 0.85 -9.46 0.11 7.12 -1.88 -3.40 115.31 108.65 2jys h LEU 93 Ca -0.03 -0.00 -0.54 0.00 0.13 0.00 0.00 57.88 57.44 2jys h LEU 93 Cb 1.59 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 2jys h LEU 93 CO 0.09 0.56 0.30 -0.04 -0.13 0.00 0.00 178.44 179.22 2jys s MET 94 N -5.85 4.57 0.44 1.25 -1.94 -1.23 -4.92 119.30 111.62 2jys s MET 94 Ca -0.11 1.30 0.12 0.00 -1.71 0.00 0.00 55.69 55.29 2jys s MET 94 Cb 0.19 -3.43 1.01 0.00 2.01 0.00 0.00 34.83 34.61 2jys s MET 94 CO 0.79 0.07 2.04 0.87 -0.01 0.00 0.00 175.02 178.79 2jys h LYS 95 N 6.36 0.38 -5.68 2.03 1.57 -1.87 -3.47 116.57 115.89 2jys h LYS 95 Ca -0.42 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 2jys h LYS 95 Cb 1.21 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 33.47 2jys h LYS 95 CO 0.74 0.25 -0.38 1.63 -0.57 0.00 0.00 179.45 181.12 2jys n LYS 96 N -4.48 -1.47 -2.29 3.15 4.76 -1.26 -4.93 118.16 111.64 2jys n LYS 96 Ca 0.05 1.20 -0.38 0.00 -2.87 0.00 0.00 58.31 56.31 2jys n LYS 96 Cb 0.20 -5.07 -0.02 0.00 -1.84 0.00 0.00 35.03 28.30 2jys n LYS 96 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jys s PRO 97 N -3.77 3.96 0.00 1.97 0.04 -1.26 -5.25 135.00 130.69 2jys s PRO 97 Ca 0.10 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2jys s PRO 97 Cb -0.02 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2jys s PRO 97 CO 0.78 -0.39 0.02 -0.11 0.04 0.00 0.00 177.00 177.34