#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 2.58 0.43 -1.09 0.04 -1.26 -4.95 135.00 130.75 2jys s PRO 9 Ca 0.00 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 2jys s PRO 9 Cb 0.00 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.70 2jys s PRO 9 CO 0.00 -1.40 0.58 1.28 0.04 0.00 0.00 177.00 177.50 2jys n LEU 10 N -2.91 0.00 -4.31 -3.56 4.77 0.34 -4.81 117.00 106.51 2jys n LEU 10 Ca 0.10 -0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 54.78 2jys n LEU 10 Cb 0.52 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 2jys n LEU 10 CO 0.50 -0.84 -0.56 -1.61 -1.33 0.00 0.00 177.39 173.55 2jys s GLU 11 N -4.05 1.94 -0.04 3.23 2.02 -1.26 -1.69 118.70 118.85 2jys s GLU 11 Ca 0.36 -0.97 -0.22 0.00 0.02 0.00 0.00 54.97 54.16 2jys s GLU 11 Cb -0.02 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.30 2jys s GLU 11 CO 0.25 0.53 0.48 0.00 0.02 0.00 0.00 175.26 176.53 2jys s ALA 12 N -0.67 -1.24 -0.20 5.21 0.00 -0.79 -2.02 121.76 122.05 2jys s ALA 12 Ca 0.10 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2jys s ALA 12 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jys s ALA 12 CO 0.00 -0.31 -0.15 -2.00 0.00 0.00 0.00 175.76 173.30 2jys s GLU 13 N -1.16 2.93 -0.15 0.00 2.12 0.12 0.60 118.70 123.15 2jys s GLU 13 Ca -0.12 -0.89 -0.02 0.00 0.36 0.00 0.00 54.97 54.30 2jys s GLU 13 Cb -0.03 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.62 2jys s GLU 13 CO 0.06 -0.28 -0.07 0.42 -0.54 0.00 0.00 175.26 174.86 2jys s ILE 14 N 1.30 3.54 -1.76 -3.70 1.01 0.24 0.24 121.20 122.06 2jys s ILE 14 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2jys s ILE 14 Cb -0.14 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2jys s ILE 14 CO -0.10 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.63 2jys n LYS 15 N 3.69 -1.53 -0.42 2.79 5.02 -1.24 0.53 118.16 127.01 2jys n LYS 15 Ca -0.18 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2jys n LYS 15 Cb 0.52 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -0.50 0.72 3.56 0.72 0.00 -1.26 -5.04 105.19 103.39 2jys n GLY 16 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.76 4.94 -0.16 2.61 2.01 0.19 -5.05 115.64 117.41 2jys s THR 17 Ca 0.00 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 2jys s THR 17 Cb 0.00 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2jys s THR 17 CO 0.00 0.32 0.91 -0.75 -0.69 0.00 0.00 174.62 174.41 2jys s LYS 18 N 1.40 4.32 0.23 4.92 2.20 -1.26 0.80 119.74 132.36 2jys s LYS 18 Ca 0.06 1.17 0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2jys s LYS 18 Cb -0.15 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2jys s LYS 18 CO 0.06 -0.37 0.04 -0.51 -0.36 0.00 0.00 175.35 174.21 2jys s LEU 19 N 2.27 1.99 0.13 5.43 2.01 0.20 -4.96 118.68 125.74 2jys s LEU 19 Ca 0.42 -1.27 -0.23 0.00 0.01 0.00 0.00 54.13 53.05 2jys s LEU 19 Cb -0.17 -0.13 -0.07 0.00 0.01 0.00 0.00 46.19 45.83 2jys s LEU 19 CO 0.13 -0.61 0.71 -0.54 1.01 0.00 0.00 176.35 177.05 2jys s LYS 20 N -3.93 4.44 0.30 1.70 1.02 -1.26 -1.89 119.74 120.13 2jys s LYS 20 Ca 0.31 1.01 0.04 0.00 0.02 0.00 0.00 55.97 57.35 2jys s LYS 20 Cb 0.07 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2jys s LYS 20 CO 0.10 0.58 0.03 0.00 -0.92 0.00 0.00 175.35 175.14 2jys s ALA 21 N -1.07 2.27 -0.08 5.17 0.00 -0.68 -2.47 121.76 124.90 2jys s ALA 21 Ca 0.34 -2.00 0.01 0.00 0.00 0.00 0.00 51.96 50.31 2jys s ALA 21 Cb -0.22 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.50 2jys s ALA 21 CO 0.24 -0.27 -0.10 -1.01 0.00 0.00 0.00 175.76 174.61 2jys s HIS 22 N -3.28 1.41 -0.09 0.00 3.76 0.25 0.12 115.29 117.46 2jys s HIS 22 Ca 0.34 -0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 2jys s HIS 22 Cb 0.08 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 2jys s HIS 22 CO 0.14 -0.34 1.03 -0.46 -0.85 0.00 0.00 174.74 174.26 2jys s TRP 23 N 1.01 3.49 -0.28 1.40 -0.00 -1.26 -1.45 118.94 121.84 2jys s TRP 23 Ca -0.08 1.56 -0.01 0.00 -0.00 0.00 0.00 56.10 57.57 2jys s TRP 23 Cb -0.15 -3.21 0.09 0.00 -0.00 0.00 0.00 33.47 30.20 2jys s TRP 23 CO -0.00 -0.34 0.07 0.34 -0.00 0.00 0.00 176.95 177.01 2jys s ASP 24 N 1.13 3.84 0.44 5.86 2.15 -1.13 -4.94 116.67 124.03 2jys s ASP 24 Ca 0.50 -1.47 0.12 0.00 0.43 0.00 0.00 52.55 52.13 2jys s ASP 24 Cb -0.19 -0.87 0.99 0.00 -0.30 0.00 0.00 42.92 42.54 2jys s ASP 24 CO 0.19 -0.38 2.04 0.77 -0.17 0.00 0.00 175.17 177.63 2jys h SER 25 N 8.09 0.19 -0.15 -0.34 4.64 -1.95 -1.43 113.55 122.60 2jys h SER 25 Ca -0.14 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jys h SER 25 Cb 1.04 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2jys h SER 25 CO 0.44 0.22 0.10 1.23 -0.87 0.00 0.00 176.83 177.95 2jys h GLY 26 N 0.42 0.22 -3.86 -0.77 0.00 -1.96 -3.42 103.07 93.69 2jys h GLY 26 Ca 0.05 -0.08 -0.51 0.00 0.00 0.00 0.00 47.33 46.79 2jys h GLY 26 CO 0.00 0.08 0.54 0.00 0.00 0.00 0.00 176.54 177.16 2jys s ALA 27 N -5.22 3.44 -1.41 3.60 0.00 -0.54 -4.92 121.76 116.71 2jys s ALA 27 Ca -0.06 1.04 0.16 0.00 0.00 0.00 0.00 51.96 53.09 2jys s ALA 27 Cb 0.17 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2jys s ALA 27 CO 0.69 -0.35 0.83 0.25 0.00 0.00 0.00 175.76 177.19 2jys n THR 28 N 1.14 0.00 -3.83 0.00 -2.24 -1.26 -4.22 114.28 103.86 2jys n THR 28 Ca -0.00 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2jys n THR 28 Cb 0.44 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.89 0.01 0.29 2.28 2.07 -1.26 -4.80 121.20 117.90 2jys s ILE 29 Ca 0.13 -0.08 -0.30 0.00 -1.41 0.00 0.00 60.65 58.99 2jys s ILE 29 Cb 0.13 -0.22 -0.13 0.00 0.13 0.00 0.00 42.46 42.36 2jys s ILE 29 CO 0.41 -0.05 1.33 0.41 -1.91 0.00 0.00 174.94 175.13 2jys n THR 30 N 2.83 1.48 -4.68 4.00 -1.04 -1.25 -4.58 114.28 111.04 2jys n THR 30 Ca -0.14 -0.37 -0.27 0.00 -2.04 0.00 0.00 64.05 61.23 2jys n THR 30 Cb 0.59 -1.49 -0.17 0.00 -1.82 0.00 0.00 70.33 67.44 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 0.70 1.46 0.11 0.00 -7.23 0.35 0.88 120.40 116.66 2jys s VAL 32 Ca -0.13 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.62 2jys s VAL 32 Cb -0.16 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 2jys s VAL 32 CO 0.03 -0.42 1.00 -2.16 -0.31 0.00 0.00 175.10 173.25 2jys s PRO 33 N -3.74 4.65 0.63 4.82 0.04 -1.23 -0.37 135.00 139.79 2jys s PRO 33 Ca 0.26 1.51 0.25 0.00 0.04 0.00 0.00 61.00 63.06 2jys s PRO 33 Cb 0.03 -3.37 1.23 0.00 0.04 0.00 0.00 34.50 32.43 2jys s PRO 33 CO 0.09 0.14 1.68 1.49 0.04 0.00 0.00 177.00 180.44 2jys h GLU 34 N 5.69 0.00 -0.99 4.56 4.81 -1.76 0.79 114.58 127.68 2jys h GLU 34 Ca -0.43 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2jys h GLU 34 Cb 1.21 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 2jys h GLU 34 CO 0.73 0.00 0.58 0.00 -0.73 0.00 0.00 179.01 179.59 2jys h ALA 35 N 1.06 1.65 -0.01 2.92 0.00 -1.91 0.90 119.26 123.88 2jys h ALA 35 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jys h ALA 35 Cb 1.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jys h ALA 35 CO -0.00 -0.11 -0.14 1.19 0.00 0.00 0.00 179.25 180.18 2jys n PHE 36 N -4.81 0.00 0.20 0.00 3.72 0.27 -3.65 117.46 113.19 2jys n PHE 36 Ca 0.23 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.67 2jys n PHE 36 Cb 0.60 -0.14 0.19 0.00 -0.94 0.00 0.00 39.48 39.19 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jys n LEU 37 N -0.75 3.07 -0.34 4.37 7.99 0.31 -4.49 117.00 127.16 2jys n LEU 37 Ca 0.14 -1.55 -0.08 0.00 -0.01 0.00 0.00 56.01 54.51 2jys n LEU 37 Cb 0.30 -0.54 -0.05 0.00 -0.11 0.00 0.00 43.42 43.02 2jys n LEU 37 CO 0.24 0.43 0.53 -0.33 -1.51 0.00 0.00 177.39 176.75 2jys h GLU 38 N 1.91 -0.08 -1.17 3.23 5.08 -1.62 1.26 114.58 123.20 2jys h GLU 38 Ca 0.00 0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.83 2jys h GLU 38 Cb 1.11 0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.14 2jys h GLU 38 CO 0.20 -0.05 0.70 -0.40 -1.00 0.00 0.00 179.01 178.46 2jys n ASP 39 N -5.36 6.90 -4.49 1.42 5.68 -1.26 -4.99 116.55 114.45 2jys n ASP 39 Ca 0.04 -3.51 -0.55 0.00 -0.50 0.00 0.00 54.79 50.27 2jys n ASP 39 Cb 0.33 -0.98 -0.06 0.00 -1.14 0.00 0.00 41.12 39.26 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 -0.50 0.18 -3.70 0.11 0.28 0.43 -4.93 120.64 112.51 2jys n GLU 40 Ca 0.51 0.06 -0.29 0.00 -0.16 0.00 0.00 57.16 57.28 2jys n GLU 40 Cb 0.71 -1.46 -0.13 0.00 1.43 0.00 0.00 31.44 32.00 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 -0.24 1.26 0.02 3.44 3.00 -1.26 -5.10 118.95 120.08 2jys s ARG 41 Ca 0.83 -1.98 -0.30 0.00 -1.00 0.00 0.00 55.73 53.28 2jys s ARG 41 Cb -1.13 -2.30 -0.06 0.00 0.00 0.00 0.00 34.95 31.45 2jys s ARG 41 CO 0.56 -1.16 1.42 -1.25 0.00 0.00 0.00 175.30 174.86 2jys s PRO 42 N 0.38 4.28 -0.01 5.12 0.04 -1.26 -3.43 135.00 140.13 2jys s PRO 42 Ca 0.18 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.34 2jys s PRO 42 Cb -0.24 -3.52 -0.16 0.00 0.04 0.00 0.00 34.50 30.62 2jys s PRO 42 CO 0.00 -0.56 0.32 0.44 0.04 0.00 0.00 177.00 177.24 2jys n ILE 43 N 4.55 0.00 -4.09 0.56 -5.35 -0.25 -4.96 119.36 109.81 2jys n ILE 43 Ca 0.13 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.26 2jys n ILE 43 Cb 0.43 0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 38.75 2jys n ILE 43 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2jys s GLN 44 N -2.52 1.09 0.14 6.28 0.74 -1.17 -5.00 119.66 119.21 2jys s GLN 44 Ca -0.01 -1.38 0.09 0.00 0.05 0.00 0.00 55.36 54.11 2jys s GLN 44 Cb 0.08 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 2jys s GLN 44 CO 0.46 -0.36 -0.18 0.95 -0.55 0.00 0.00 175.29 175.61 2jys s THR 45 N -4.04 2.79 -0.04 -0.34 -4.23 -1.26 0.13 115.64 108.64 2jys s THR 45 Ca 0.25 -1.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 2jys s THR 45 Cb 0.06 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2jys s THR 45 CO 0.04 0.04 0.18 -0.32 -0.54 0.00 0.00 174.62 174.02 2jys s MET 46 N -2.32 0.35 -0.19 3.99 1.75 -0.19 -4.75 119.30 117.94 2jys s MET 46 Ca 0.19 0.01 -0.09 0.00 -1.25 0.00 0.00 55.69 54.55 2jys s MET 46 Cb -0.10 0.15 -0.05 0.00 2.84 0.00 0.00 34.83 37.68 2jys s MET 46 CO 0.11 -0.07 0.13 -1.17 -0.65 0.00 0.00 175.02 173.37 2jys s LEU 47 N -0.50 4.22 -0.08 4.11 0.20 -1.26 -1.39 118.68 123.98 2jys s LEU 47 Ca -0.06 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.05 2jys s LEU 47 Cb -0.04 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jys s LEU 47 CO 0.01 0.22 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.50 2jys s ILE 48 N 0.14 2.87 -0.12 6.68 -1.09 0.18 -4.90 121.20 124.95 2jys s ILE 48 Ca 0.09 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2jys s ILE 48 Cb -0.11 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2jys s ILE 48 CO -0.01 0.56 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.42 2jys s LYS 49 N -0.17 1.72 0.39 2.79 2.20 -1.26 0.73 119.74 126.14 2jys s LYS 49 Ca -0.01 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2jys s LYS 49 Cb -0.13 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2jys s LYS 49 CO 0.03 -0.27 0.04 0.25 -0.36 0.00 0.00 175.35 175.04 2jys n THR 50 N 4.90 0.00 -0.01 3.43 -2.24 0.06 -4.96 114.28 115.45 2jys n THR 50 Ca -0.14 -1.81 -0.13 0.00 -2.27 0.00 0.00 64.05 59.71 2jys n THR 50 Cb 0.50 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 2jys n THR 50 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jys h ILE 51 N 1.13 1.37 -1.01 2.28 2.04 -2.03 -3.13 117.51 118.17 2jys h ILE 51 Ca -0.31 -1.28 0.22 0.00 1.00 0.00 0.00 64.86 64.49 2jys h ILE 51 Cb 0.97 2.23 -0.11 0.00 -0.74 0.00 0.00 36.82 39.17 2jys h ILE 51 CO 0.52 0.32 0.61 -0.74 0.00 0.00 0.00 178.15 178.87 2jys h HIS 52 N -0.59 0.99 0.00 1.37 2.76 -2.04 -3.46 115.15 114.17 2jys h HIS 52 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jys h HIS 52 Cb 0.56 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.23 2jys h HIS 52 CO 0.12 0.14 0.00 0.41 -1.30 0.00 0.00 177.93 177.30 2jys n GLY 53 N -1.34 -1.40 3.62 5.26 0.00 -1.18 -5.13 105.19 105.02 2jys n GLY 53 Ca 0.25 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.32 3.96 -0.02 1.61 2.12 -1.26 -0.77 118.70 123.03 2jys s GLU 54 Ca 0.00 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.02 2jys s GLU 54 Cb 0.00 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 2jys s GLU 54 CO 0.00 0.24 -0.12 0.15 -0.54 0.00 0.00 175.26 174.99 2jys s LYS 55 N 0.46 1.11 -0.17 4.30 1.02 0.22 -4.95 119.74 121.74 2jys s LYS 55 Ca 0.03 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 2jys s LYS 55 Cb -0.13 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 2jys s LYS 55 CO 0.01 0.21 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.49 2jys s GLN 56 N -0.08 3.69 0.22 1.68 0.74 -1.26 0.51 119.66 125.15 2jys s GLN 56 Ca 0.01 -0.50 0.09 0.00 0.05 0.00 0.00 55.36 55.00 2jys s GLN 56 Cb -0.07 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 31.01 2jys s GLN 56 CO 0.00 0.19 -0.16 -0.65 -0.55 0.00 0.00 175.29 174.13 2jys s GLN 57 N 0.52 1.39 0.45 1.67 -0.21 -0.48 -4.88 119.66 118.12 2jys s GLN 57 Ca -0.02 -1.62 -0.00 0.00 0.02 0.00 0.00 55.36 53.74 2jys s GLN 57 Cb -0.14 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.62 2jys s GLN 57 CO 0.02 0.21 0.68 -0.51 -2.12 0.00 0.00 175.29 173.58 2jys s ASP 58 N -3.34 5.88 -0.12 5.90 1.01 -1.26 -1.03 116.67 123.72 2jys s ASP 58 Ca 0.24 0.37 -0.06 0.00 0.71 0.00 0.00 52.55 53.80 2jys s ASP 58 Cb -0.02 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 2jys s ASP 58 CO 0.08 -0.68 0.11 -0.69 0.21 0.00 0.00 175.17 174.20 2jys s VAL 59 N -2.57 5.25 0.12 -1.27 1.01 0.35 -4.75 120.40 118.53 2jys s VAL 59 Ca 0.48 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.67 2jys s VAL 59 Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2jys s VAL 59 CO 0.39 0.61 -0.25 -0.31 0.00 0.00 0.00 175.10 175.53 2jys s TYR 60 N -0.90 2.17 -0.32 5.22 1.51 -0.82 -1.09 117.35 123.11 2jys s TYR 60 Ca 0.14 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 2jys s TYR 60 Cb -0.12 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2jys s TYR 60 CO 0.03 0.30 0.12 -0.47 -1.11 0.00 0.00 175.55 174.42 2jys s TYR 61 N -1.09 3.18 0.30 2.71 5.04 -1.22 0.19 117.35 126.46 2jys s TYR 61 Ca 0.12 -0.95 0.10 0.00 -2.44 0.00 0.00 57.07 53.89 2jys s TYR 61 Cb -0.10 -2.30 -0.05 0.00 0.35 0.00 0.00 41.96 39.86 2jys s TYR 61 CO 0.06 -0.58 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.12 2jys s LEU 62 N 1.52 2.94 -0.19 6.97 1.43 -0.49 -4.85 118.68 125.99 2jys s LEU 62 Ca 0.02 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2jys s LEU 62 Cb -0.18 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2jys s LEU 62 CO 0.04 -0.10 -0.18 -0.89 0.23 0.00 0.00 176.35 175.45 2jys s THR 63 N -2.46 2.07 0.04 5.49 2.01 -1.26 -2.05 115.64 119.47 2jys s THR 63 Ca 0.33 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2jys s THR 63 Cb -0.03 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 2jys s THR 63 CO 0.18 0.44 0.11 0.72 -0.69 0.00 0.00 174.62 175.38 2jys s PHE 64 N 1.26 0.19 -0.17 4.92 -0.71 -0.79 -3.60 117.98 119.08 2jys s PHE 64 Ca 0.03 -0.49 -0.17 0.00 -1.04 0.00 0.00 56.93 55.25 2jys s PHE 64 Cb -0.14 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 2jys s PHE 64 CO -0.12 -0.38 0.46 0.15 -1.34 0.00 0.00 175.22 174.00 2jys s LYS 65 N -2.64 4.25 -0.34 1.99 1.02 0.14 -0.80 119.74 123.35 2jys s LYS 65 Ca -0.05 0.36 -0.09 0.00 0.02 0.00 0.00 55.97 56.21 2jys s LYS 65 Cb -0.01 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2jys s LYS 65 CO -0.05 0.02 0.15 0.08 -0.92 0.00 0.00 175.35 174.63 2jys s VAL 66 N 1.11 4.28 -1.26 3.17 1.01 0.14 0.11 120.40 128.95 2jys s VAL 66 Ca 0.23 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2jys s VAL 66 Cb -0.15 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2jys s VAL 66 CO 0.09 -0.12 0.73 0.00 0.00 0.00 0.00 175.10 175.81 2jys n GLN 67 N 4.93 -5.32 -1.59 2.72 6.02 -0.86 -1.83 117.38 121.45 2jys n GLN 67 Ca -0.13 0.75 -0.03 0.00 -0.01 0.00 0.00 57.00 57.59 2jys n GLN 67 Cb 0.47 -5.38 -0.01 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 -1.58 0.41 2.83 1.08 0.00 -1.26 -5.02 105.19 101.66 2jys n GLY 68 Ca -0.05 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.23 1.11 0.11 1.61 0.52 -0.76 -5.09 118.95 113.22 2jys s ARG 69 Ca 0.00 -0.86 -0.32 0.00 -0.52 0.00 0.00 55.73 54.03 2jys s ARG 69 Cb 0.00 -2.34 -0.11 0.00 0.52 0.00 0.00 34.95 33.02 2jys s ARG 69 CO 0.00 -0.71 1.82 1.17 0.02 0.00 0.00 175.30 177.60 2jys n LYS 70 N 4.81 2.69 -3.75 3.54 4.81 -1.26 0.24 118.16 129.24 2jys n LYS 70 Ca -0.08 0.98 -0.13 0.00 -0.87 0.00 0.00 58.31 58.21 2jys n LYS 70 Cb 0.45 -2.86 -0.13 0.00 0.02 0.00 0.00 35.03 32.51 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 2.65 -0.03 -0.08 3.15 1.01 0.02 -4.88 120.40 122.24 2jys s VAL 71 Ca 0.82 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2jys s VAL 71 Cb -0.52 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2jys s VAL 71 CO 0.38 0.04 -0.16 -1.61 0.00 0.00 0.00 175.10 173.76 2jys s GLU 72 N 0.90 2.82 0.31 2.72 2.02 -1.26 -1.89 118.70 124.33 2jys s GLU 72 Ca -0.06 -0.73 -0.19 0.00 0.02 0.00 0.00 54.97 54.00 2jys s GLU 72 Cb -0.08 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.76 2jys s GLU 72 CO -0.06 0.43 0.76 0.00 0.02 0.00 0.00 175.26 176.42 2jys s ALA 73 N -0.24 -1.07 0.32 5.21 0.00 -0.87 -5.00 121.76 120.11 2jys s ALA 73 Ca 0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2jys s ALA 73 Cb -0.13 0.78 -0.10 0.00 0.00 0.00 0.00 23.12 23.67 2jys s ALA 73 CO 0.03 -1.02 0.95 -1.21 0.00 0.00 0.00 175.76 174.51 2jys s GLU 74 N -3.28 4.60 0.10 0.00 2.02 -1.26 -1.40 118.70 119.48 2jys s GLU 74 Ca 0.13 1.35 -0.00 0.00 0.02 0.00 0.00 54.97 56.47 2jys s GLU 74 Cb -0.05 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 2jys s GLU 74 CO 0.08 0.29 0.00 0.14 0.02 0.00 0.00 175.26 175.79 2jys s VAL 75 N -1.57 0.28 0.04 2.63 -7.23 0.50 -3.82 120.40 111.23 2jys s VAL 75 Ca 0.49 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2jys s VAL 75 Cb -0.20 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2jys s VAL 75 CO 0.25 -0.73 -0.11 -0.22 -0.31 0.00 0.00 175.10 173.97 2jys s LEU 76 N -3.01 2.94 0.15 1.32 2.96 -0.79 -1.95 118.68 120.30 2jys s LEU 76 Ca 0.16 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 2jys s LEU 76 Cb 0.07 -1.71 -0.07 0.00 0.50 0.00 0.00 46.19 44.98 2jys s LEU 76 CO -0.04 0.25 0.96 0.00 -1.32 0.00 0.00 176.35 176.20 2jys s ALA 77 N -1.02 3.27 0.01 5.97 0.00 -1.25 -0.50 121.76 128.25 2jys s ALA 77 Ca 0.17 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 2jys s ALA 77 Cb -0.11 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2jys s ALA 77 CO 0.08 0.04 0.03 0.45 0.00 0.00 0.00 175.76 176.36 2jys s SER 78 N -0.35 0.14 0.00 0.00 0.15 0.49 -4.77 113.70 109.36 2jys s SER 78 Ca 0.45 -0.33 0.16 0.00 0.70 0.00 0.00 55.95 56.93 2jys s SER 78 Cb -0.24 0.13 0.92 0.00 -1.71 0.00 0.00 66.02 65.11 2jys s SER 78 CO 0.31 -0.27 1.36 -0.81 1.20 0.00 0.00 173.24 175.02 2jys n PRO 79 N 1.79 0.45 -0.53 5.44 -0.04 -1.26 -2.33 135.00 138.52 2jys n PRO 79 Ca -0.22 0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2jys n PRO 79 Cb 0.56 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.04 -0.72 -0.92 0.54 4.01 -1.26 -4.92 117.16 112.84 2jys n TYR 80 Ca 0.11 -0.01 0.08 0.00 -0.16 0.00 0.00 57.90 57.93 2jys n TYR 80 Cb 0.06 -1.78 0.30 0.00 -0.31 0.00 0.00 39.34 37.62 2jys n TYR 80 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2jys n ASP 81 N -4.71 4.40 0.00 7.72 5.68 -1.26 -4.72 116.55 123.66 2jys n ASP 81 Ca 0.05 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.41 2jys n ASP 81 Cb 0.54 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.09 0.00 -4.40 2.11 4.11 -1.26 -4.98 117.16 112.64 2jys n TYR 82 Ca 0.23 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.93 2jys n TYR 82 Cb 0.96 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 40.16 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 -0.21 1.08 -0.20 -3.48 1.01 -1.03 -3.56 121.20 114.81 2jys s ILE 83 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2jys s ILE 83 Cb 0.00 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2jys s ILE 83 CO 0.00 0.06 -0.03 -0.76 0.00 0.00 0.00 174.94 174.21 2jys s LEU 84 N -0.96 3.07 -0.10 2.97 1.02 0.25 0.84 118.68 125.77 2jys s LEU 84 Ca 0.02 -0.28 -0.13 0.00 0.02 0.00 0.00 54.13 53.76 2jys s LEU 84 Cb -0.07 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 2jys s LEU 84 CO 0.01 0.05 0.32 -0.76 0.02 0.00 0.00 176.35 175.99 2jys s LEU 85 N 1.06 4.34 0.12 1.79 2.01 -0.53 -1.43 118.68 126.04 2jys s LEU 85 Ca 0.01 0.67 -0.18 0.00 0.01 0.00 0.00 54.13 54.65 2jys s LEU 85 Cb -0.15 -2.42 -0.07 0.00 0.01 0.00 0.00 46.19 43.56 2jys s LEU 85 CO 0.01 0.21 0.58 0.21 1.01 0.00 0.00 176.35 178.36 2jys s ASN 86 N -0.22 6.98 0.45 2.29 2.47 -1.26 -2.84 114.94 122.81 2jys s ASN 86 Ca 0.19 1.22 0.22 0.00 0.42 0.00 0.00 52.86 54.91 2jys s ASN 86 Cb -0.14 -2.34 1.09 0.00 -1.45 0.00 0.00 41.25 38.41 2jys s ASN 86 CO 0.07 0.18 1.93 1.55 -3.72 0.00 0.00 177.10 177.12 2jys h PRO 87 N 4.05 0.00 0.02 0.43 0.13 -1.75 -2.26 132.00 132.62 2jys h PRO 87 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 2jys h PRO 87 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2jys h PRO 87 CO 0.64 0.23 -0.95 0.77 -0.23 0.00 0.00 178.00 178.46 2jys h SER 88 N 0.00 0.11 0.62 1.44 0.02 -1.87 -3.23 113.55 110.64 2jys h SER 88 Ca -0.00 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.64 2jys h SER 88 Cb 0.54 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2jys h SER 88 CO 0.03 0.99 -0.94 -2.24 -1.14 0.00 0.00 176.83 173.53 2jys h ASP 89 N 0.03 0.27 -2.81 3.07 3.04 -1.84 -3.35 116.42 114.83 2jys h ASP 89 Ca -0.03 -0.23 -0.70 0.00 -3.24 0.00 0.00 57.03 52.83 2jys h ASP 89 Cb 1.64 -0.08 -0.36 0.00 -1.04 0.00 0.00 39.33 39.49 2jys h ASP 89 CO 0.13 1.07 -0.01 1.33 -2.04 0.00 0.00 179.24 179.72 2jys n VAL 90 N -3.61 3.46 0.23 4.15 0.24 -0.88 -4.84 118.33 117.07 2jys n VAL 90 Ca -0.04 -5.39 0.10 0.00 -2.04 0.00 0.00 64.34 56.97 2jys n VAL 90 Cb 0.85 -2.19 0.49 0.00 -1.47 0.00 0.00 33.84 31.52 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 5.19 0.00 -0.20 7.34 0.13 -1.71 -3.05 132.00 139.71 2jys h PRO 91 Ca 0.19 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.15 2jys h PRO 91 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2jys h PRO 91 CO 0.99 0.22 -0.57 0.11 -0.23 0.00 0.00 178.00 178.53 2jys h TRP 92 N 0.00 0.77 -0.87 1.56 0.09 -1.90 -3.07 115.95 112.53 2jys h TRP 92 Ca -0.00 -0.28 0.18 0.00 0.09 0.00 0.00 58.89 58.88 2jys h TRP 92 Cb 0.69 -0.14 -0.11 0.00 0.08 0.00 0.00 29.16 29.68 2jys h TRP 92 CO 0.00 1.03 0.41 -0.07 0.09 0.00 0.00 178.44 179.90 2jys h LEU 93 N 0.46 0.42 -9.69 0.11 3.38 -1.92 -3.39 115.31 104.68 2jys h LEU 93 Ca 0.00 0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.57 2jys h LEU 93 Cb 1.13 0.07 0.04 0.00 0.09 0.00 0.00 40.66 41.99 2jys h LEU 93 CO 0.11 0.11 0.69 -0.04 0.09 0.00 0.00 178.44 179.40 2jys s MET 94 N -5.93 4.35 -0.04 1.13 -1.94 -1.16 -5.01 119.30 110.69 2jys s MET 94 Ca -0.12 2.14 -0.02 0.00 -1.71 0.00 0.00 55.69 55.98 2jys s MET 94 Cb 0.23 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 2jys s MET 94 CO 0.78 -0.32 0.09 0.15 -0.01 0.00 0.00 175.02 175.71 2jys s LYS 95 N -0.14 3.17 -0.58 2.03 1.02 -1.26 -5.03 119.74 118.95 2jys s LYS 95 Ca 0.58 -0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.23 2jys s LYS 95 Cb -0.38 -2.94 0.15 0.00 -0.52 0.00 0.00 37.83 34.13 2jys s LYS 95 CO 0.39 0.69 0.35 0.21 -0.92 0.00 0.00 175.35 176.07 2jys s LYS 96 N -1.45 2.10 0.45 1.68 2.20 -1.26 -5.09 119.74 118.38 2jys s LYS 96 Ca 0.20 -2.85 -0.23 0.00 -0.36 0.00 0.00 55.97 52.72 2jys s LYS 96 Cb -0.12 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 2jys s LYS 96 CO 0.10 -1.18 1.16 -1.25 -0.36 0.00 0.00 175.35 173.82 2jys s PRO 97 N -0.69 3.79 0.00 4.03 0.04 -1.26 -5.33 135.00 135.59 2jys s PRO 97 Ca 0.20 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.12 2jys s PRO 97 Cb -0.17 -2.42 0.71 0.00 0.04 0.00 0.00 34.50 32.66 2jys s PRO 97 CO -0.07 -0.52 1.15 -0.11 0.04 0.00 0.00 177.00 177.49