#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 1.70 0.03 -1.09 0.04 -1.26 -4.92 135.00 129.51 2jys s PRO 9 Ca 0.00 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 2jys s PRO 9 Cb 0.00 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2jys s PRO 9 CO 0.00 -1.97 0.41 -0.51 0.04 0.00 0.00 177.00 174.97 2jys s LEU 10 N -6.07 4.42 0.05 -3.56 1.43 0.65 -4.76 118.68 110.85 2jys s LEU 10 Ca 0.62 0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 54.36 2jys s LEU 10 Cb -0.17 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2jys s LEU 10 CO 0.56 0.26 0.82 -1.61 0.23 0.00 0.00 176.35 176.62 2jys s GLU 11 N -1.41 4.55 0.01 1.70 2.02 -1.26 1.00 118.70 125.30 2jys s GLU 11 Ca 0.27 1.17 -0.08 0.00 0.02 0.00 0.00 54.97 56.35 2jys s GLU 11 Cb -0.15 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.70 2jys s GLU 11 CO 0.15 0.24 0.15 0.00 0.02 0.00 0.00 175.26 175.82 2jys s ALA 12 N 0.06 -0.34 -0.19 5.21 0.00 -0.84 -1.21 121.76 124.44 2jys s ALA 12 Ca 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2jys s ALA 12 Cb -0.21 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2jys s ALA 12 CO 0.25 -0.23 -0.13 -2.00 0.00 0.00 0.00 175.76 173.65 2jys s GLU 13 N -1.58 3.19 -0.18 0.00 2.12 0.48 -0.21 118.70 122.52 2jys s GLU 13 Ca -0.13 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 2jys s GLU 13 Cb -0.06 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 2jys s GLU 13 CO 0.01 -0.16 -0.05 0.42 -0.54 0.00 0.00 175.26 174.93 2jys s ILE 14 N 1.28 3.54 -1.52 -3.70 1.01 0.29 -0.02 121.20 122.07 2jys s ILE 14 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2jys s ILE 14 Cb -0.14 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2jys s ILE 14 CO -0.07 0.46 0.00 0.29 0.00 0.00 0.00 174.94 175.63 2jys n LYS 15 N 4.12 -1.66 -0.48 2.79 5.02 -1.25 0.98 118.16 127.67 2jys n LYS 15 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2jys n LYS 15 Cb 0.52 -5.31 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 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 -0.58 0.75 3.59 0.72 0.00 -1.26 -5.04 105.19 103.37 2jys n GLY 16 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.53 4.77 -0.04 2.61 2.01 0.28 -5.06 115.64 117.68 2jys s THR 17 Ca 0.00 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 2jys s THR 17 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2jys s THR 17 CO 0.00 0.41 0.90 -0.75 -0.69 0.00 0.00 174.62 174.48 2jys s LYS 18 N 0.82 4.50 0.17 4.92 2.20 -1.26 0.10 119.74 131.20 2jys s LYS 18 Ca 0.04 1.24 -0.02 0.00 -0.36 0.00 0.00 55.97 56.87 2jys s LYS 18 Cb -0.13 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2jys s LYS 18 CO 0.02 -0.06 0.13 -0.51 -0.36 0.00 0.00 175.35 174.57 2jys s LEU 19 N 1.12 1.34 0.26 5.43 1.02 0.70 -4.95 118.68 123.60 2jys s LEU 19 Ca 0.47 -1.25 -0.14 0.00 0.02 0.00 0.00 54.13 53.23 2jys s LEU 19 Cb -0.20 0.49 -0.08 0.00 0.02 0.00 0.00 46.19 46.42 2jys s LEU 19 CO 0.23 -0.82 0.67 -0.54 0.02 0.00 0.00 176.35 175.91 2jys s LYS 20 N -4.09 3.99 0.15 1.70 1.02 -1.26 -1.98 119.74 119.26 2jys s LYS 20 Ca 0.30 0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.89 2jys s LYS 20 Cb 0.06 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2jys s LYS 20 CO 0.07 0.27 -0.00 0.00 -0.92 0.00 0.00 175.35 174.77 2jys s ALA 21 N -1.82 1.20 -0.06 5.17 0.00 0.28 -2.09 121.76 124.44 2jys s ALA 21 Ca 0.49 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2jys s ALA 21 Cb -0.12 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2jys s ALA 21 CO 0.19 -0.33 -0.10 -1.01 0.00 0.00 0.00 175.76 174.51 2jys s HIS 22 N -3.72 1.26 -0.02 0.00 3.76 -0.08 0.24 115.29 116.72 2jys s HIS 22 Ca 0.22 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 2jys s HIS 22 Cb 0.06 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 2jys s HIS 22 CO 0.02 -0.26 1.11 -0.46 -0.85 0.00 0.00 174.74 174.30 2jys s TRP 23 N 0.78 3.43 -0.21 1.40 -0.00 -1.26 -1.75 118.94 121.33 2jys s TRP 23 Ca -0.13 1.42 -0.04 0.00 -0.00 0.00 0.00 56.10 57.36 2jys s TRP 23 Cb -0.15 -3.31 0.07 0.00 -0.00 0.00 0.00 33.47 30.08 2jys s TRP 23 CO 0.02 -0.80 0.08 0.34 -0.00 0.00 0.00 176.95 176.60 2jys s ASP 24 N 1.18 2.88 0.34 5.86 2.15 -0.71 -4.94 116.67 123.43 2jys s ASP 24 Ca 0.54 -0.88 0.07 0.00 0.43 0.00 0.00 52.55 52.70 2jys s ASP 24 Cb -0.24 -0.43 0.61 0.00 -0.30 0.00 0.00 42.92 42.57 2jys s ASP 24 CO 0.25 -0.36 1.83 0.77 -0.17 0.00 0.00 175.17 177.49 2jys h SER 25 N 8.33 0.33 0.22 -0.34 4.64 -1.95 -1.48 113.55 123.31 2jys h SER 25 Ca -0.16 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2jys h SER 25 Cb 1.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2jys h SER 25 CO 0.35 0.54 0.00 1.23 -0.87 0.00 0.00 176.83 178.07 2jys h GLY 26 N 0.91 0.00 -4.86 -0.77 0.00 -1.95 -3.41 103.07 92.99 2jys h GLY 26 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.83 2jys h GLY 26 CO 0.03 0.00 0.15 0.00 0.00 0.00 0.00 176.54 176.72 2jys s ALA 27 N -3.59 3.30 -0.13 3.60 0.00 -0.56 -4.93 121.76 119.46 2jys s ALA 27 Ca -0.01 0.23 0.19 0.00 0.00 0.00 0.00 51.96 52.37 2jys s ALA 27 Cb 0.08 -3.03 -0.20 0.00 0.00 0.00 0.00 23.12 19.97 2jys s ALA 27 CO 0.29 -0.11 0.61 2.41 0.00 0.00 0.00 175.76 178.95 2jys n THR 28 N 3.71 0.79 -4.31 0.00 -1.04 -1.26 -4.17 114.28 108.00 2jys n THR 28 Ca 0.00 -0.65 -0.18 0.00 -2.04 0.00 0.00 64.05 61.18 2jys n THR 28 Cb 0.51 -0.41 -0.14 0.00 -1.82 0.00 0.00 70.33 68.48 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 -3.08 0.79 0.31 12.58 1.10 -1.26 -4.77 121.20 126.86 2jys s ILE 29 Ca -0.05 -0.66 -0.30 0.00 -0.51 0.00 0.00 60.65 59.13 2jys s ILE 29 Cb 0.10 -0.71 -0.12 0.00 0.15 0.00 0.00 42.46 41.88 2jys s ILE 29 CO 0.84 0.06 1.51 0.41 -2.11 0.00 0.00 174.94 175.65 2jys n THR 30 N 2.38 1.29 -4.96 4.00 -1.04 -1.25 -4.67 114.28 110.02 2jys n THR 30 Ca -0.16 -0.32 -0.26 0.00 -2.04 0.00 0.00 64.05 61.26 2jys n THR 30 Cb 0.56 -1.85 -0.16 0.00 -1.82 0.00 0.00 70.33 67.07 2jys n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jys s VAL 32 N -0.47 0.20 0.06 0.00 -7.23 -0.22 0.11 120.40 112.85 2jys s VAL 32 Ca 0.08 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 2jys s VAL 32 Cb -0.08 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2jys s VAL 32 CO -0.01 0.00 0.98 -2.16 -0.31 0.00 0.00 175.10 173.60 2jys s PRO 33 N -3.97 4.62 0.60 4.82 0.04 -1.24 -0.89 135.00 138.99 2jys s PRO 33 Ca 0.38 1.45 0.30 0.00 0.04 0.00 0.00 61.00 63.16 2jys s PRO 33 Cb 0.06 -3.42 1.19 0.00 0.04 0.00 0.00 34.50 32.37 2jys s PRO 33 CO 0.15 0.07 1.53 1.05 0.04 0.00 0.00 177.00 179.85 2jys h GLU 34 N 6.20 0.00 -1.09 4.56 4.11 -1.81 0.37 114.58 126.92 2jys h GLU 34 Ca -0.42 0.00 0.29 0.00 0.07 0.00 0.00 59.36 59.31 2jys h GLU 34 Cb 1.22 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2jys h GLU 34 CO 0.74 0.00 0.73 0.00 0.07 0.00 0.00 179.01 180.54 2jys h ALA 35 N 0.89 2.53 -0.00 1.06 0.00 -1.90 1.31 119.26 123.14 2jys h ALA 35 Ca 0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2jys h ALA 35 Cb 2.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2jys h ALA 35 CO -0.00 -0.92 -0.46 1.19 0.00 0.00 0.00 179.25 179.06 2jys n PHE 36 N -4.49 0.00 -0.02 0.00 3.72 0.13 -3.79 117.46 113.01 2jys n PHE 36 Ca 0.26 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.67 2jys n PHE 36 Cb 1.01 -0.26 0.20 0.00 -0.94 0.00 0.00 39.48 39.49 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 -1.46 3.68 -0.24 4.37 7.99 0.45 -4.51 117.00 127.28 2jys n LEU 37 Ca 0.06 -1.87 -0.09 0.00 -0.01 0.00 0.00 56.01 54.10 2jys n LEU 37 Cb 0.34 -0.61 -0.05 0.00 -0.11 0.00 0.00 43.42 42.99 2jys n LEU 37 CO 0.34 0.49 0.55 -0.08 -1.51 0.00 0.00 177.39 177.18 2jys h GLU 38 N 1.92 -0.20 -1.06 3.23 4.81 -1.64 0.67 114.58 122.31 2jys h GLU 38 Ca 0.04 0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.69 2jys h GLU 38 Cb 1.37 0.05 -0.27 0.00 0.63 0.00 0.00 28.75 30.52 2jys h GLU 38 CO 0.30 -0.13 0.77 -0.25 -0.73 0.00 0.00 179.01 178.96 2jys n ASP 39 N -5.39 6.65 -4.18 1.04 8.00 -1.26 -5.00 116.55 116.41 2jys n ASP 39 Ca 0.02 -3.64 -0.52 0.00 0.71 0.00 0.00 54.79 51.35 2jys n ASP 39 Cb 0.34 -0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 2jys n ASP 39 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jys n GLU 40 N -0.81 0.00 -3.72 -1.24 0.28 0.23 -4.91 120.64 110.47 2jys n GLU 40 Ca 0.58 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.29 2jys n GLU 40 Cb 0.87 -1.28 -0.12 0.00 1.43 0.00 0.00 31.44 32.34 2jys n GLU 40 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2jys s ARG 41 N -0.25 1.62 -0.17 3.44 3.52 -1.26 -5.08 118.95 120.76 2jys s ARG 41 Ca 0.78 -2.48 -0.29 0.00 -0.13 0.00 0.00 55.73 53.61 2jys s ARG 41 Cb -1.10 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2jys s ARG 41 CO 0.53 -1.24 1.64 -1.25 -0.81 0.00 0.00 175.30 174.17 2jys s PRO 42 N -0.30 3.89 0.21 5.12 0.04 -1.26 -3.70 135.00 139.00 2jys s PRO 42 Ca 0.23 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.20 2jys s PRO 42 Cb -0.13 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 2jys s PRO 42 CO -0.09 -1.19 1.39 -0.84 0.04 0.00 0.00 177.00 176.32 2jys h ILE 43 N 6.01 1.27 -4.10 0.56 3.07 -1.79 -3.47 117.51 119.06 2jys h ILE 43 Ca -0.35 -2.72 -0.19 0.00 1.55 0.00 0.00 64.86 63.15 2jys h ILE 43 Cb 1.16 2.58 -0.11 0.00 -0.27 0.00 0.00 36.82 40.18 2jys h ILE 43 CO 0.99 0.71 -0.30 -1.10 -1.05 0.00 0.00 178.15 177.40 2jys s GLN 44 N -2.91 1.55 0.11 0.16 -0.21 -1.24 -5.05 119.66 112.08 2jys s GLN 44 Ca 0.02 -1.53 0.09 0.00 0.02 0.00 0.00 55.36 53.96 2jys s GLN 44 Cb 0.09 0.40 -0.04 0.00 1.00 0.00 0.00 33.01 34.46 2jys s GLN 44 CO 0.78 -0.61 -0.22 0.95 -2.12 0.00 0.00 175.29 174.06 2jys s THR 45 N -3.78 1.86 0.06 -0.19 -4.23 -1.26 -1.30 115.64 106.81 2jys s THR 45 Ca 0.30 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 2jys s THR 45 Cb 0.02 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 2jys s THR 45 CO 0.14 -0.04 -0.14 -0.04 -0.54 0.00 0.00 174.62 174.00 2jys s MET 46 N -2.00 0.86 -0.21 3.99 -1.94 0.77 -4.83 119.30 115.93 2jys s MET 46 Ca 0.09 -0.90 -0.08 0.00 -1.71 0.00 0.00 55.69 53.09 2jys s MET 46 Cb -0.10 -0.88 -0.04 0.00 2.01 0.00 0.00 34.83 35.83 2jys s MET 46 CO 0.05 0.20 0.08 -0.51 -0.01 0.00 0.00 175.02 174.83 2jys s LEU 47 N -1.57 3.74 -0.13 -0.03 1.43 -1.26 -1.10 118.68 119.76 2jys s LEU 47 Ca -0.01 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2jys s LEU 47 Cb -0.09 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 2jys s LEU 47 CO 0.02 0.08 -0.14 -0.63 0.23 0.00 0.00 176.35 175.92 2jys s ILE 48 N 0.92 2.98 -0.11 -0.59 -1.09 0.26 -4.88 121.20 118.68 2jys s ILE 48 Ca 0.04 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.75 2jys s ILE 48 Cb -0.14 -2.24 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2jys s ILE 48 CO 0.03 0.53 0.00 -0.54 -1.23 0.00 0.00 174.94 173.73 2jys s LYS 49 N 0.33 3.25 -0.01 2.79 1.02 -1.26 0.15 119.74 126.01 2jys s LYS 49 Ca -0.11 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2jys s LYS 49 Cb -0.16 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 2jys s LYS 49 CO 0.06 0.56 -0.17 0.99 -0.92 0.00 0.00 175.35 175.87 2jys s THR 50 N -0.48 1.34 0.41 2.17 2.01 0.50 -4.86 115.64 116.74 2jys s THR 50 Ca 0.08 -0.72 0.20 0.00 0.31 0.00 0.00 61.69 61.56 2jys s THR 50 Cb -0.12 -1.11 0.41 0.00 0.01 0.00 0.00 72.50 71.68 2jys s THR 50 CO 0.02 0.38 1.75 -0.29 -0.69 0.00 0.00 174.62 175.79 2jys h ILE 51 N 4.72 0.46 -0.02 1.82 2.10 -2.03 0.80 117.51 125.37 2jys h ILE 51 Ca -0.36 -0.12 -0.17 0.00 1.08 0.00 0.00 64.86 65.29 2jys h ILE 51 Cb 1.15 0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 2jys h ILE 51 CO 0.48 0.06 -0.74 -0.74 -1.08 0.00 0.00 178.15 176.14 2jys h HIS 52 N 0.34 0.19 -1.77 2.19 2.76 -2.04 -3.48 115.15 113.34 2jys h HIS 52 Ca 0.63 -0.09 0.31 0.00 -2.20 0.00 0.00 60.37 59.02 2jys h HIS 52 Cb 1.67 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 30.55 2jys h HIS 52 CO -0.00 0.82 0.76 0.41 -1.30 0.00 0.00 177.93 178.62 2jys n GLY 53 N 0.57 0.17 3.64 5.26 0.00 0.28 -5.14 105.19 109.98 2jys n GLY 53 Ca -0.02 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 4.00 -0.05 1.61 2.02 -1.26 0.19 118.70 123.21 2jys s GLU 54 Ca 0.25 -0.32 0.06 0.00 0.02 0.00 0.00 54.97 54.97 2jys s GLU 54 Cb -0.00 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 2jys s GLU 54 CO -0.02 0.22 -0.23 0.21 0.02 0.00 0.00 175.26 175.45 2jys s LYS 55 N 0.55 2.33 -0.23 1.61 2.47 0.41 -4.89 119.74 121.99 2jys s LYS 55 Ca 0.05 -0.84 -0.08 0.00 -1.56 0.00 0.00 55.97 53.54 2jys s LYS 55 Cb -0.13 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.20 2jys s LYS 55 CO 0.01 0.36 0.10 -1.14 0.16 0.00 0.00 175.35 174.84 2jys s GLN 56 N -0.15 3.85 -0.06 4.03 0.74 -1.26 0.91 119.66 127.71 2jys s GLN 56 Ca -0.03 -0.39 0.04 0.00 0.05 0.00 0.00 55.36 55.04 2jys s GLN 56 Cb -0.13 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 2jys s GLN 56 CO 0.03 -0.02 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.91 2jys s GLN 57 N 1.19 2.63 0.22 1.67 -1.52 -0.26 -4.88 119.66 118.71 2jys s GLN 57 Ca 0.05 -0.80 -0.01 0.00 -1.95 0.00 0.00 55.36 52.65 2jys s GLN 57 Cb -0.14 -2.30 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2jys s GLN 57 CO 0.04 0.46 0.42 -0.51 -0.25 0.00 0.00 175.29 175.45 2jys s ASP 58 N -0.32 6.40 -0.09 5.90 1.01 -1.26 -0.16 116.67 128.14 2jys s ASP 58 Ca 0.02 0.45 -0.10 0.00 0.71 0.00 0.00 52.55 53.63 2jys s ASP 58 Cb -0.13 -2.03 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 2jys s ASP 58 CO 0.02 -0.07 0.23 0.54 0.21 0.00 0.00 175.17 176.10 2jys s VAL 59 N -1.91 5.35 0.09 -1.27 0.11 -0.42 -4.83 120.40 117.52 2jys s VAL 59 Ca 0.39 0.41 0.09 0.00 -2.93 0.00 0.00 61.98 59.95 2jys s VAL 59 Cb -0.11 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2jys s VAL 59 CO 0.29 0.58 -0.24 -0.31 -3.33 0.00 0.00 175.10 172.09 2jys s TYR 60 N -0.85 2.11 -0.31 1.54 1.51 -0.88 -2.16 117.35 118.31 2jys s TYR 60 Ca 0.17 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2jys s TYR 60 Cb -0.13 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2jys s TYR 60 CO 0.06 0.22 0.10 -0.47 -1.11 0.00 0.00 175.55 174.35 2jys s TYR 61 N -0.98 3.19 0.26 2.71 5.04 -1.24 0.26 117.35 126.58 2jys s TYR 61 Ca 0.11 -1.09 0.11 0.00 -2.44 0.00 0.00 57.07 53.76 2jys s TYR 61 Cb -0.10 -2.28 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 2jys s TYR 61 CO 0.04 -0.62 -0.13 -0.51 -1.34 0.00 0.00 175.55 172.99 2jys s LEU 62 N 1.48 2.80 -0.22 6.97 1.43 -0.24 -4.88 118.68 126.03 2jys s LEU 62 Ca 0.01 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2jys s LEU 62 Cb -0.18 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.72 2jys s LEU 62 CO 0.03 0.04 -0.16 -0.89 0.23 0.00 0.00 176.35 175.60 2jys s THR 63 N -2.28 2.13 0.09 5.49 2.01 -1.26 -2.05 115.64 119.76 2jys s THR 63 Ca 0.29 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 2jys s THR 63 Cb -0.06 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 2jys s THR 63 CO 0.16 0.29 -0.01 0.72 -0.69 0.00 0.00 174.62 175.10 2jys s PHE 64 N 1.21 0.74 -0.16 4.92 -0.71 -0.80 -3.90 117.98 119.29 2jys s PHE 64 Ca -0.01 -1.09 -0.18 0.00 -1.04 0.00 0.00 56.93 54.61 2jys s PHE 64 Cb -0.16 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 2jys s PHE 64 CO -0.09 -0.37 0.47 0.15 -1.34 0.00 0.00 175.22 174.03 2jys s LYS 65 N -3.95 4.26 -0.40 1.99 1.02 0.97 -0.64 119.74 122.99 2jys s LYS 65 Ca 0.14 0.38 -0.09 0.00 0.02 0.00 0.00 55.97 56.43 2jys s LYS 65 Cb 0.07 -3.49 0.07 0.00 -0.52 0.00 0.00 37.83 33.96 2jys s LYS 65 CO -0.04 0.03 0.23 0.08 -0.92 0.00 0.00 175.35 174.73 2jys s VAL 66 N 1.05 4.18 -1.23 3.17 1.01 0.78 -0.39 120.40 128.98 2jys s VAL 66 Ca 0.24 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2jys s VAL 66 Cb -0.15 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jys s VAL 66 CO 0.09 -0.45 0.60 0.00 0.00 0.00 0.00 175.10 175.35 2jys n GLN 67 N 4.90 -4.56 -2.26 2.72 6.02 -0.35 -2.32 117.38 121.54 2jys n GLN 67 Ca -0.10 0.73 -0.02 0.00 -0.01 0.00 0.00 57.00 57.59 2jys n GLN 67 Cb 0.43 -5.25 0.00 0.00 1.02 0.00 0.00 30.24 26.45 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 -1.46 0.49 2.62 1.08 0.00 -1.26 -5.03 105.19 101.62 2jys n GLY 68 Ca -0.07 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.50 0.16 -0.03 1.61 0.52 -0.98 -5.10 118.95 110.63 2jys s ARG 69 Ca 0.02 -0.19 -0.34 0.00 -0.52 0.00 0.00 55.73 54.71 2jys s ARG 69 Cb -0.01 -1.80 -0.12 0.00 0.52 0.00 0.00 34.95 33.55 2jys s ARG 69 CO 0.03 -0.71 1.85 1.17 0.02 0.00 0.00 175.30 177.65 2jys n LYS 70 N 5.24 2.26 -3.76 3.54 4.81 -1.26 -0.16 118.16 128.83 2jys n LYS 70 Ca -0.07 0.83 -0.15 0.00 -0.87 0.00 0.00 58.31 58.05 2jys n LYS 70 Cb 0.48 -2.67 -0.15 0.00 0.02 0.00 0.00 35.03 32.70 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 3.61 -0.06 -0.08 3.15 1.01 0.19 -4.88 120.40 123.34 2jys s VAL 71 Ca 0.90 0.21 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2jys s VAL 71 Cb -0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jys s VAL 71 CO 0.48 0.08 -0.13 -1.61 0.00 0.00 0.00 175.10 173.93 2jys s GLU 72 N 1.11 2.85 0.14 2.72 2.02 -1.26 -1.90 118.70 124.38 2jys s GLU 72 Ca -0.09 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 2jys s GLU 72 Cb -0.13 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.63 2jys s GLU 72 CO -0.04 0.48 0.28 0.00 0.02 0.00 0.00 175.26 176.00 2jys n ALA 73 N 2.74 -0.64 -1.88 5.21 0.00 -0.87 -5.00 120.51 120.06 2jys n ALA 73 Ca -0.18 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.52 2jys n ALA 73 Cb 0.52 0.35 0.05 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.03 2.81 -0.09 0.00 2.02 -1.26 -1.08 118.70 119.07 2jys s GLU 74 Ca 0.06 0.44 -0.18 0.00 0.02 0.00 0.00 54.97 55.31 2jys s GLU 74 Cb -0.02 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.24 2jys s GLU 74 CO 0.04 -1.06 0.44 0.08 0.02 0.00 0.00 175.26 174.78 2jys s VAL 75 N -3.37 0.02 0.00 2.63 1.01 0.74 -3.97 120.40 117.46 2jys s VAL 75 Ca 0.58 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2jys s VAL 75 Cb -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2jys s VAL 75 CO 0.52 -0.10 -0.16 -0.22 0.00 0.00 0.00 175.10 175.14 2jys s LEU 76 N -0.59 2.70 0.28 3.92 2.96 -0.84 -2.07 118.68 125.04 2jys s LEU 76 Ca -0.07 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.27 2jys s LEU 76 Cb -0.03 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 45.00 2jys s LEU 76 CO 0.04 0.29 0.90 0.00 -1.32 0.00 0.00 176.35 176.26 2jys s ALA 77 N -0.85 3.28 0.01 5.97 0.00 -1.26 -1.05 121.76 127.86 2jys s ALA 77 Ca 0.14 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2jys s ALA 77 Cb -0.11 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.93 2jys s ALA 77 CO 0.04 0.21 0.39 0.45 0.00 0.00 0.00 175.76 176.85 2jys s SER 78 N -1.49 -0.28 0.00 0.00 0.15 -0.07 -4.81 113.70 107.20 2jys s SER 78 Ca 0.46 0.11 0.13 0.00 0.70 0.00 0.00 55.95 57.36 2jys s SER 78 Cb -0.20 0.39 0.80 0.00 -1.71 0.00 0.00 66.02 65.29 2jys s SER 78 CO 0.25 -0.56 1.24 -0.81 1.20 0.00 0.00 173.24 174.56 2jys n PRO 79 N 0.89 0.56 -0.71 5.44 -0.04 -1.26 -2.61 135.00 137.27 2jys n PRO 79 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 2jys n PRO 79 Cb 0.58 -1.37 0.23 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.54 -0.20 0.54 2.02 -1.26 -4.94 117.35 113.04 2jys s TYR 80 Ca 0.20 1.14 0.15 0.00 -0.37 0.00 0.00 57.07 58.19 2jys s TYR 80 Cb 0.09 -3.14 0.47 0.00 -0.40 0.00 0.00 41.96 38.98 2jys s TYR 80 CO 0.15 -3.63 1.37 -0.40 -1.57 0.00 0.00 175.55 171.48 2jys n ASP 81 N -4.73 3.08 -0.68 2.29 5.75 -1.26 -4.58 116.55 116.41 2jys n ASP 81 Ca 0.04 -3.30 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 2jys n ASP 81 Cb 0.55 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jys n TYR 82 N -0.90 -0.27 -4.28 2.11 4.11 -1.26 -4.96 117.16 111.71 2jys n TYR 82 Ca 0.24 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.85 2jys n TYR 82 Cb 0.88 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 40.12 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 -2.20 3.07 -0.14 -3.48 1.01 -0.89 -3.64 121.20 114.93 2jys s ILE 83 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 60.65 59.15 2jys s ILE 83 Cb 0.00 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2jys s ILE 83 CO 0.00 0.02 -0.20 -0.76 0.00 0.00 0.00 174.94 174.00 2jys s LEU 84 N -2.42 2.20 -0.10 2.97 1.43 0.30 -0.91 118.68 122.16 2jys s LEU 84 Ca 0.21 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2jys s LEU 84 Cb -0.10 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2jys s LEU 84 CO 0.13 0.08 -0.01 -0.76 0.23 0.00 0.00 176.35 176.02 2jys s LEU 85 N 0.83 3.50 0.23 1.79 2.01 -0.72 -1.42 118.68 124.90 2jys s LEU 85 Ca -0.06 0.09 0.05 0.00 0.01 0.00 0.00 54.13 54.22 2jys s LEU 85 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 46.19 44.21 2jys s LEU 85 CO -0.02 0.34 0.33 0.54 1.01 0.00 0.00 176.35 178.55 2jys s ASN 86 N -0.68 6.22 0.46 2.29 4.22 -1.26 -1.74 114.94 124.46 2jys s ASN 86 Ca 0.11 0.04 0.25 0.00 -2.14 0.00 0.00 52.86 51.12 2jys s ASN 86 Cb -0.12 -1.81 1.08 0.00 1.28 0.00 0.00 41.25 41.69 2jys s ASN 86 CO 0.02 -0.05 1.90 1.55 -2.04 0.00 0.00 177.10 178.48 2jys h PRO 87 N 1.35 0.00 -0.04 3.55 0.13 -1.74 -2.18 132.00 133.07 2jys h PRO 87 Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 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 0.62 0.20 -0.78 0.77 -0.23 0.00 0.00 178.00 178.58 2jys h SER 88 N 0.00 0.39 0.38 1.44 0.02 -1.86 -3.10 113.55 110.82 2jys h SER 88 Ca -0.00 -0.27 -0.32 0.00 -0.84 0.00 0.00 61.79 60.36 2jys h SER 88 Cb 0.62 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 63.08 2jys h SER 88 CO 0.03 1.02 -1.42 -2.24 -1.14 0.00 0.00 176.83 173.08 2jys h ASP 89 N 0.20 0.71 -2.60 3.07 3.04 -1.84 -3.36 116.42 115.64 2jys h ASP 89 Ca -0.04 -0.77 -0.72 0.00 -3.24 0.00 0.00 57.03 52.26 2jys h ASP 89 Cb 1.36 -0.23 -0.34 0.00 -1.04 0.00 0.00 39.33 39.08 2jys h ASP 89 CO 0.13 1.60 0.23 1.33 -2.04 0.00 0.00 179.24 180.49 2jys n VAL 90 N -3.65 4.17 0.20 4.15 0.24 -0.84 -4.81 118.33 117.79 2jys n VAL 90 Ca -0.14 -5.66 0.07 0.00 -2.04 0.00 0.00 64.34 56.56 2jys n VAL 90 Cb 1.08 -2.06 0.41 0.00 -1.47 0.00 0.00 33.84 31.80 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 4.87 0.00 -0.23 7.34 0.13 -1.70 -3.10 132.00 139.31 2jys h PRO 91 Ca 0.21 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.17 2jys h PRO 91 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2jys h PRO 91 CO 1.13 0.31 -0.55 0.11 -0.23 0.00 0.00 178.00 178.78 2jys h TRP 92 N 0.00 0.86 -0.98 1.56 0.09 -1.89 -3.02 115.95 112.56 2jys h TRP 92 Ca -0.00 -0.30 0.19 0.00 0.09 0.00 0.00 58.89 58.87 2jys h TRP 92 Cb 0.78 -0.16 -0.10 0.00 0.08 0.00 0.00 29.16 29.76 2jys h TRP 92 CO 0.00 1.08 0.61 1.25 0.09 0.00 0.00 178.44 181.47 2jys h LEU 93 N 0.52 0.69 -1.70 0.11 5.85 -1.93 0.39 115.31 119.24 2jys h LEU 93 Ca 0.01 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2jys h LEU 93 Cb 1.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2jys h LEU 93 CO 0.11 0.25 0.25 0.24 -0.34 0.00 0.00 178.44 178.95 2jys h MET 94 N 0.68 0.38 -6.94 1.25 2.86 -1.66 -3.42 114.93 108.08 2jys h MET 94 Ca 0.55 -0.02 -0.54 0.00 -2.06 0.00 0.00 59.70 57.63 2jys h MET 94 Cb 0.97 -0.09 0.10 0.00 0.06 0.00 0.00 31.60 32.65 2jys h MET 94 CO -0.32 0.25 0.72 0.21 1.06 0.00 0.00 176.91 178.83 2jys s LYS 95 N -5.37 4.04 -0.66 1.72 2.20 0.14 -4.97 119.74 116.84 2jys s LYS 95 Ca -0.07 2.43 0.05 0.00 -0.36 0.00 0.00 55.97 58.02 2jys s LYS 95 Cb 0.18 -2.89 0.18 0.00 -1.51 0.00 0.00 37.83 33.78 2jys s LYS 95 CO 0.72 -0.53 0.49 1.17 -0.36 0.00 0.00 175.35 176.84 2jys n LYS 96 N 0.33 1.66 0.26 4.03 4.81 -1.26 -4.90 118.16 123.09 2jys n LYS 96 Ca 0.02 -4.32 0.17 0.00 -0.87 0.00 0.00 58.31 53.31 2jys n LYS 96 Cb 0.41 -2.20 0.69 0.00 0.02 0.00 0.00 35.03 33.95 2jys n LYS 96 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2jys h PRO 97 N 5.32 0.00 0.00 1.64 0.13 -1.95 -3.56 132.00 133.59 2jys h PRO 97 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jys h PRO 97 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2jys h PRO 97 CO 0.68 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.34