#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 3.42 0.58 -1.09 0.04 -1.26 -4.87 135.00 131.82 2jys s PRO 9 Ca 0.00 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2jys s PRO 9 Cb 0.00 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.60 2jys s PRO 9 CO 0.00 -0.80 0.80 1.28 0.04 0.00 0.00 177.00 178.32 2jys n LEU 10 N -1.17 0.00 -4.47 -3.56 4.77 0.16 -4.73 117.00 107.99 2jys n LEU 10 Ca 0.11 -1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 54.72 2jys n LEU 10 Cb 0.50 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 2jys n LEU 10 CO 0.43 -1.03 -0.43 -0.70 -1.33 0.00 0.00 177.39 174.32 2jys s GLU 11 N -4.67 2.80 -0.07 3.23 2.12 -1.26 -1.37 118.70 119.48 2jys s GLU 11 Ca 0.47 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 2jys s GLU 11 Cb -0.02 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.90 2jys s GLU 11 CO 0.32 0.52 0.25 0.00 -0.54 0.00 0.00 175.26 175.81 2jys s ALA 12 N -0.46 -0.61 -0.20 6.30 0.00 -0.79 -1.43 121.76 124.58 2jys s ALA 12 Ca 0.06 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2jys s ALA 12 Cb -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2jys s ALA 12 CO 0.02 -0.15 -0.13 -2.00 0.00 0.00 0.00 175.76 173.50 2jys s GLU 13 N -0.27 3.18 -0.15 0.00 2.12 0.45 -1.09 118.70 122.93 2jys s GLU 13 Ca -0.04 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 2jys s GLU 13 Cb -0.03 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 2jys s GLU 13 CO 0.01 -0.19 -0.08 0.42 -0.54 0.00 0.00 175.26 174.88 2jys s ILE 14 N 1.35 3.48 -1.21 -3.70 1.01 0.89 0.43 121.20 123.45 2jys s ILE 14 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2jys s ILE 14 Cb -0.14 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2jys s ILE 14 CO -0.08 0.50 0.00 0.29 0.00 0.00 0.00 174.94 175.65 2jys n LYS 15 N 3.63 -1.69 -0.22 2.79 5.02 -1.24 0.17 118.16 126.63 2jys n LYS 15 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2jys n LYS 15 Cb 0.52 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 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 -0.48 0.97 3.71 0.72 0.00 -1.26 -5.03 105.19 103.81 2jys n GLY 16 Ca -0.13 0.00 -0.39 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 -2.64 5.07 -0.22 2.61 2.01 0.45 -5.03 115.64 117.89 2jys s THR 17 Ca 0.00 1.31 -0.23 0.00 0.31 0.00 0.00 61.69 63.08 2jys s THR 17 Cb 0.00 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2jys s THR 17 CO 0.00 0.24 0.74 -0.75 -0.69 0.00 0.00 174.62 174.16 2jys s LYS 18 N 0.97 4.20 0.08 4.92 2.20 -1.26 -0.08 119.74 130.77 2jys s LYS 18 Ca 0.34 0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 56.73 2jys s LYS 18 Cb -0.17 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2jys s LYS 18 CO 0.15 -0.38 0.02 -0.51 -0.36 0.00 0.00 175.35 174.27 2jys s LEU 19 N 2.37 2.16 0.37 5.43 1.02 -0.25 -4.99 118.68 124.80 2jys s LEU 19 Ca 0.32 -1.05 -0.08 0.00 0.02 0.00 0.00 54.13 53.35 2jys s LEU 19 Cb -0.16 0.30 -0.06 0.00 0.02 0.00 0.00 46.19 46.29 2jys s LEU 19 CO 0.09 -0.66 0.70 -0.54 0.02 0.00 0.00 176.35 175.97 2jys s LYS 20 N -3.96 3.70 0.30 1.70 1.02 -1.26 -1.88 119.74 119.36 2jys s LYS 20 Ca 0.13 0.28 0.05 0.00 0.02 0.00 0.00 55.97 56.45 2jys s LYS 20 Cb 0.08 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 2jys s LYS 20 CO -0.06 0.03 0.23 0.00 -0.92 0.00 0.00 175.35 174.63 2jys s ALA 21 N -2.32 1.77 -0.07 5.17 0.00 -0.47 -3.22 121.76 122.63 2jys s ALA 21 Ca 0.48 -1.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 2jys s ALA 21 Cb -0.10 1.40 0.03 0.00 0.00 0.00 0.00 23.12 24.45 2jys s ALA 21 CO 0.32 -0.62 -0.02 -1.01 0.00 0.00 0.00 175.76 174.43 2jys s HIS 22 N -3.60 0.78 -0.04 0.00 3.76 0.19 0.39 115.29 116.77 2jys s HIS 22 Ca 0.39 -0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.76 2jys s HIS 22 Cb 0.04 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2jys s HIS 22 CO 0.23 -0.31 1.01 -0.46 -0.85 0.00 0.00 174.74 174.35 2jys s TRP 23 N 1.67 3.58 -0.18 1.40 -0.00 -1.26 -2.12 118.94 122.02 2jys s TRP 23 Ca 0.01 1.63 -0.05 0.00 -0.00 0.00 0.00 56.10 57.69 2jys s TRP 23 Cb -0.13 -3.17 0.07 0.00 -0.00 0.00 0.00 33.47 30.24 2jys s TRP 23 CO -0.04 -0.19 0.13 0.34 -0.00 0.00 0.00 176.95 177.19 2jys s ASP 24 N 1.06 2.07 0.55 5.86 2.15 -0.98 -4.95 116.67 122.43 2jys s ASP 24 Ca 0.51 -0.51 0.24 0.00 0.43 0.00 0.00 52.55 53.22 2jys s ASP 24 Cb -0.20 -0.05 1.53 0.00 -0.30 0.00 0.00 42.92 43.89 2jys s ASP 24 CO 0.24 -0.34 2.18 -1.28 -0.17 0.00 0.00 175.17 175.79 2jys h SER 25 N 8.39 0.00 0.24 -0.34 0.87 -1.95 -0.54 113.55 120.22 2jys h SER 25 Ca -0.16 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2jys h SER 25 Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jys h SER 25 CO 0.29 0.03 -0.13 1.23 -0.53 0.00 0.00 176.83 177.72 2jys h GLY 26 N 0.14 0.00 -4.57 5.77 0.00 -1.94 -3.41 103.07 99.06 2jys h GLY 26 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2jys h GLY 26 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 176.54 177.02 2jys s ALA 27 N -4.44 3.29 -0.40 3.60 0.00 -0.21 -4.91 121.76 118.69 2jys s ALA 27 Ca -0.04 0.46 0.22 0.00 0.00 0.00 0.00 51.96 52.61 2jys s ALA 27 Cb 0.14 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2jys s ALA 27 CO 0.63 -0.43 0.87 2.41 0.00 0.00 0.00 175.76 179.24 2jys n THR 28 N 4.24 0.20 -4.10 0.00 -1.04 -1.26 -4.02 114.28 108.30 2jys n THR 28 Ca 0.07 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.05 61.54 2jys n THR 28 Cb 0.50 0.10 -0.16 0.00 -1.82 0.00 0.00 70.33 68.94 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 -3.31 0.41 0.28 12.58 2.07 -1.26 -4.77 121.20 127.21 2jys s ILE 29 Ca -0.00 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 58.88 2jys s ILE 29 Cb 0.13 -0.45 -0.14 0.00 0.13 0.00 0.00 42.46 42.13 2jys s ILE 29 CO 0.83 0.19 1.09 0.41 -1.91 0.00 0.00 174.94 175.55 2jys n THR 30 N 3.95 1.84 -5.09 4.00 -1.04 -1.24 -4.69 114.28 112.00 2jys n THR 30 Ca -0.25 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.05 60.98 2jys n THR 30 Cb 0.51 -1.09 -0.17 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.44 2.09 0.05 0.00 -7.23 0.05 0.15 120.40 115.95 2jys s VAL 32 Ca -0.16 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.46 2jys s VAL 32 Cb -0.17 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2jys s VAL 32 CO 0.07 -0.35 1.02 -2.16 -0.31 0.00 0.00 175.10 173.37 2jys s PRO 33 N -3.61 4.57 0.58 4.82 0.04 -1.23 0.30 135.00 140.47 2jys s PRO 33 Ca 0.29 1.51 0.36 0.00 0.04 0.00 0.00 61.00 63.20 2jys s PRO 33 Cb -0.00 -3.41 1.34 0.00 0.04 0.00 0.00 34.50 32.47 2jys s PRO 33 CO 0.13 -0.02 1.54 0.93 0.04 0.00 0.00 177.00 179.62 2jys h GLU 34 N 6.43 0.00 -0.89 4.56 5.08 -1.79 0.25 114.58 128.22 2jys h GLU 34 Ca -0.42 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2jys h GLU 34 Cb 1.22 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 2jys h GLU 34 CO 0.75 0.00 0.36 0.00 -1.00 0.00 0.00 179.01 179.13 2jys h ALA 35 N 0.92 1.41 -0.00 3.43 0.00 -1.90 1.12 119.26 124.24 2jys h ALA 35 Ca 0.60 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.69 2jys h ALA 35 Cb 2.86 0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.84 2jys h ALA 35 CO -0.01 -0.37 -0.16 1.19 0.00 0.00 0.00 179.25 179.90 2jys n PHE 36 N -5.08 0.00 -0.06 0.00 3.01 0.89 -3.48 117.46 112.74 2jys n PHE 36 Ca 0.22 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.73 2jys n PHE 36 Cb 0.66 -0.24 0.25 0.00 -0.01 0.00 0.00 39.48 40.14 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 -1.10 3.70 -0.25 4.37 7.99 0.39 -4.47 117.00 127.62 2jys n LEU 37 Ca 0.12 -1.87 -0.04 0.00 -0.01 0.00 0.00 56.01 54.20 2jys n LEU 37 Cb 0.30 -0.56 0.01 0.00 -0.11 0.00 0.00 43.42 43.06 2jys n LEU 37 CO 0.26 0.51 0.62 -0.33 -1.51 0.00 0.00 177.39 176.94 2jys h GLU 38 N 2.55 -0.12 -1.02 3.23 5.08 -1.57 1.01 114.58 123.75 2jys h GLU 38 Ca 0.00 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.75 2jys h GLU 38 Cb 1.28 0.03 -0.29 0.00 0.50 0.00 0.00 28.75 30.27 2jys h GLU 38 CO 0.25 -0.08 0.79 -0.40 -1.00 0.00 0.00 179.01 178.58 2jys n ASP 39 N -5.44 6.53 -4.17 1.42 5.68 -1.26 -5.01 116.55 114.31 2jys n ASP 39 Ca 0.06 -3.70 -0.51 0.00 -0.50 0.00 0.00 54.79 50.14 2jys n ASP 39 Cb 0.37 -0.94 -0.06 0.00 -1.14 0.00 0.00 41.12 39.35 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 -0.92 0.00 -3.70 0.11 0.28 0.35 -4.92 120.64 111.84 2jys n GLU 40 Ca 0.60 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 57.32 2jys n GLU 40 Cb 0.94 -1.21 -0.12 0.00 1.43 0.00 0.00 31.44 32.48 2jys n GLU 40 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jys s ARG 41 N -0.38 1.67 -0.15 3.44 0.52 -1.26 -5.09 118.95 117.70 2jys s ARG 41 Ca 0.75 -2.58 -0.29 0.00 -0.52 0.00 0.00 55.73 53.08 2jys s ARG 41 Cb -1.06 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2jys s ARG 41 CO 0.53 -1.27 1.63 -1.25 0.02 0.00 0.00 175.30 174.95 2jys s PRO 42 N -0.46 3.97 -0.03 3.54 0.04 -1.26 -3.70 135.00 137.09 2jys s PRO 42 Ca 0.25 1.90 0.14 0.00 0.04 0.00 0.00 61.00 63.32 2jys s PRO 42 Cb -0.09 -4.01 -0.21 0.00 0.04 0.00 0.00 34.50 30.23 2jys s PRO 42 CO -0.12 -1.09 0.64 0.44 0.04 0.00 0.00 177.00 176.91 2jys n ILE 43 N 5.99 1.48 -4.02 0.56 -5.35 -0.72 -4.95 119.36 112.35 2jys n ILE 43 Ca 0.18 -0.78 -0.08 0.00 -0.27 0.00 0.00 62.75 61.81 2jys n ILE 43 Cb 0.44 -0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 37.33 2jys n ILE 43 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jys s GLN 44 N -2.67 0.57 0.19 6.28 -0.21 -1.21 -5.03 119.66 117.58 2jys s GLN 44 Ca -0.05 -0.99 0.11 0.00 0.02 0.00 0.00 55.36 54.46 2jys s GLN 44 Cb 0.08 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 2jys s GLN 44 CO 0.82 -0.12 -0.23 0.95 -2.12 0.00 0.00 175.29 174.59 2jys s THR 45 N -3.18 2.31 -0.00 -0.19 -4.23 -1.26 0.17 115.64 109.25 2jys s THR 45 Ca 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2jys s THR 45 Cb 0.02 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 2jys s THR 45 CO -0.07 -0.15 0.02 -0.04 -0.54 0.00 0.00 174.62 173.84 2jys s MET 46 N -2.72 0.12 -0.19 3.99 -1.94 0.36 -4.82 119.30 114.10 2jys s MET 46 Ca 0.21 -0.12 -0.14 0.00 -1.71 0.00 0.00 55.69 53.93 2jys s MET 46 Cb -0.08 0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 2jys s MET 46 CO 0.10 -0.02 0.29 -1.17 -0.01 0.00 0.00 175.02 174.21 2jys s LEU 47 N -0.37 4.19 -0.11 -0.03 2.96 -1.26 -1.28 118.68 122.77 2jys s LEU 47 Ca -0.04 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 2jys s LEU 47 Cb -0.03 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2jys s LEU 47 CO -0.00 0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.31 2jys s ILE 48 N 0.86 3.09 -0.12 6.68 -1.09 0.22 -4.91 121.20 125.93 2jys s ILE 48 Ca 0.15 -0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2jys s ILE 48 Cb -0.14 -2.28 -0.03 0.00 -1.58 0.00 0.00 42.46 38.44 2jys s ILE 48 CO 0.05 0.54 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.69 2jys s LYS 49 N 0.07 3.32 0.50 2.79 1.02 -1.26 0.14 119.74 126.32 2jys s LYS 49 Ca -0.05 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.39 2jys s LYS 49 Cb -0.15 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2jys s LYS 49 CO 0.04 0.37 0.04 0.95 -0.92 0.00 0.00 175.35 175.83 2jys s THR 50 N -0.01 0.92 -0.01 2.17 -4.23 0.88 -4.90 115.64 110.46 2jys s THR 50 Ca -0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 2jys s THR 50 Cb -0.14 -2.12 -0.20 0.00 1.34 0.00 0.00 72.50 71.39 2jys s THR 50 CO 0.03 0.00 1.32 0.40 -0.54 0.00 0.00 174.62 175.83 2jys h ILE 51 N 1.41 1.35 -0.46 2.99 2.04 -2.02 -3.18 117.51 119.65 2jys h ILE 51 Ca -0.41 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 64.49 2jys h ILE 51 Cb 1.31 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 2jys h ILE 51 CO 0.68 0.27 0.09 -0.74 0.00 0.00 0.00 178.15 178.45 2jys h HIS 52 N -0.43 0.14 -0.56 1.37 2.76 -2.04 -3.47 115.15 112.92 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 0.44 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2jys h HIS 52 CO 0.08 -0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 2jys n GLY 53 N -1.27 1.30 3.75 5.26 0.00 -1.20 -5.14 105.19 107.89 2jys n GLY 53 Ca 0.04 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 0.28 3.98 -0.04 1.61 2.02 -1.26 -0.08 118.70 125.20 2jys s GLU 54 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 54.97 54.84 2jys s GLU 54 Cb 0.00 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2jys s GLU 54 CO 0.00 0.41 -0.25 0.21 0.02 0.00 0.00 175.26 175.66 2jys s LYS 55 N 0.03 2.33 -0.24 1.61 2.47 0.36 -4.91 119.74 121.40 2jys s LYS 55 Ca 0.09 -0.89 -0.08 0.00 -1.56 0.00 0.00 55.97 53.54 2jys s LYS 55 Cb -0.11 -2.06 -0.04 0.00 -1.46 0.00 0.00 37.83 34.16 2jys s LYS 55 CO -0.00 0.43 0.09 -1.14 0.16 0.00 0.00 175.35 174.88 2jys s GLN 56 N -0.30 3.79 0.05 4.03 0.74 -1.26 0.71 119.66 127.43 2jys s GLN 56 Ca 0.01 -0.41 0.09 0.00 0.05 0.00 0.00 55.36 55.10 2jys s GLN 56 Cb -0.12 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2jys s GLN 56 CO 0.02 -0.06 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.81 2jys s GLN 57 N 1.29 1.82 0.17 1.67 -1.52 -0.40 -4.90 119.66 117.78 2jys s GLN 57 Ca 0.05 -1.11 0.03 0.00 -1.95 0.00 0.00 55.36 52.39 2jys s GLN 57 Cb -0.15 -2.02 -0.03 0.00 -0.22 0.00 0.00 33.01 30.59 2jys s GLN 57 CO 0.04 0.51 0.27 -0.51 -0.25 0.00 0.00 175.29 175.35 2jys s ASP 58 N -1.39 6.16 -0.15 5.90 1.01 -1.26 -0.49 116.67 126.45 2jys s ASP 58 Ca 0.13 0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.38 2jys s ASP 58 Cb -0.10 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 2jys s ASP 58 CO 0.03 0.03 0.17 -0.69 0.21 0.00 0.00 175.17 174.93 2jys s VAL 59 N -1.80 5.41 0.08 -1.27 1.01 0.44 -4.75 120.40 119.53 2jys s VAL 59 Ca 0.34 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.69 2jys s VAL 59 Cb -0.10 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2jys s VAL 59 CO 0.28 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 175.34 2jys s TYR 60 N -0.21 2.04 -0.31 5.22 1.51 -0.80 -1.76 117.35 123.04 2jys s TYR 60 Ca 0.13 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 2jys s TYR 60 Cb -0.12 -1.16 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2jys s TYR 60 CO 0.02 0.19 0.14 -0.47 -1.11 0.00 0.00 175.55 174.32 2jys s TYR 61 N -0.96 3.17 0.21 2.71 5.04 -1.24 0.13 117.35 126.41 2jys s TYR 61 Ca 0.10 -0.63 0.11 0.00 -2.44 0.00 0.00 57.07 54.21 2jys s TYR 61 Cb -0.10 -2.34 -0.05 0.00 0.35 0.00 0.00 41.96 39.83 2jys s TYR 61 CO 0.04 -0.47 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.05 2jys s LEU 62 N 1.60 2.49 -0.16 6.97 1.43 -0.69 -4.88 118.68 125.44 2jys s LEU 62 Ca 0.04 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2jys s LEU 62 Cb -0.17 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2jys s LEU 62 CO 0.06 0.05 -0.13 -0.89 0.23 0.00 0.00 176.35 175.66 2jys s THR 63 N -2.08 2.84 0.00 5.49 2.01 -1.26 -2.05 115.64 120.59 2jys s THR 63 Ca 0.23 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 2jys s THR 63 Cb -0.06 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.26 2jys s THR 63 CO 0.10 0.51 0.29 0.72 -0.69 0.00 0.00 174.62 175.55 2jys s PHE 64 N 0.80 -0.13 0.01 4.92 -0.71 -0.78 -3.62 117.98 118.47 2jys s PHE 64 Ca -0.05 0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.74 2jys s PHE 64 Cb -0.15 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 2jys s PHE 64 CO 0.00 -0.41 0.75 0.15 -1.34 0.00 0.00 175.22 174.38 2jys s LYS 65 N -1.65 4.47 -0.31 1.99 1.02 0.17 -1.03 119.74 124.40 2jys s LYS 65 Ca -0.12 1.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.83 2jys s LYS 65 Cb -0.04 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2jys s LYS 65 CO 0.02 0.22 0.08 0.08 -0.92 0.00 0.00 175.35 174.83 2jys s VAL 66 N 0.18 3.77 -2.04 3.17 1.01 0.42 -0.41 120.40 126.50 2jys s VAL 66 Ca 0.38 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2jys s VAL 66 Cb -0.20 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2jys s VAL 66 CO 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.29 2jys n GLN 67 N 4.82 -1.38 -0.14 2.72 6.02 -0.51 -1.18 117.38 127.72 2jys n GLN 67 Ca -0.14 1.17 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 2jys n GLN 67 Cb 0.46 -5.52 0.00 0.00 1.02 0.00 0.00 30.24 26.20 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 -0.61 1.08 2.95 1.08 0.00 -1.26 -5.07 105.19 103.36 2jys n GLY 68 Ca -0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2jys n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jys s ARG 69 N -0.43 1.80 -0.12 1.61 3.52 -0.33 -5.08 118.95 119.91 2jys s ARG 69 Ca 0.00 -0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 2jys s ARG 69 Cb 0.00 -2.07 -0.05 0.00 -1.56 0.00 0.00 34.95 31.26 2jys s ARG 69 CO 0.00 -0.36 1.85 0.21 -0.81 0.00 0.00 175.30 176.19 2jys s LYS 70 N 1.55 3.81 -0.01 5.12 2.20 -1.26 0.16 119.74 131.30 2jys s LYS 70 Ca 0.02 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 57.72 2jys s LYS 70 Cb -0.15 -4.14 0.01 0.00 -1.51 0.00 0.00 37.83 32.05 2jys s LYS 70 CO -0.09 -1.31 -0.01 0.08 -0.36 0.00 0.00 175.35 173.67 2jys s VAL 71 N 5.49 0.17 -0.06 4.02 1.01 -0.20 -4.90 120.40 125.93 2jys s VAL 71 Ca 0.83 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.82 2jys s VAL 71 Cb -0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2jys s VAL 71 CO 0.34 0.09 -0.08 -1.61 0.00 0.00 0.00 175.10 173.84 2jys s GLU 72 N 0.48 2.69 0.26 2.72 2.02 -1.26 -1.87 118.70 123.74 2jys s GLU 72 Ca -0.05 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.15 2jys s GLU 72 Cb -0.07 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.64 2jys s GLU 72 CO -0.01 0.65 0.72 0.00 0.02 0.00 0.00 175.26 176.64 2jys s ALA 73 N -0.81 -1.28 0.26 5.21 0.00 -0.87 -5.00 121.76 119.27 2jys s ALA 73 Ca 0.13 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 2jys s ALA 73 Cb -0.11 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2jys s ALA 73 CO 0.02 -1.01 0.95 -1.21 0.00 0.00 0.00 175.76 174.50 2jys s GLU 74 N -3.87 4.79 0.12 0.00 2.02 -1.26 -1.71 118.70 118.78 2jys s GLU 74 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.55 2jys s GLU 74 Cb -0.05 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 2jys s GLU 74 CO 0.05 0.45 0.01 0.14 0.02 0.00 0.00 175.26 175.93 2jys s VAL 75 N -1.28 0.34 0.07 2.63 -7.23 0.34 -3.65 120.40 111.63 2jys s VAL 75 Ca 0.43 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2jys s VAL 75 Cb -0.24 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2jys s VAL 75 CO 0.30 -0.62 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.05 2jys s LEU 76 N -3.06 2.51 -0.09 1.32 2.96 -0.85 -1.90 118.68 119.58 2jys s LEU 76 Ca 0.19 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 2jys s LEU 76 Cb 0.07 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2jys s LEU 76 CO -0.01 0.23 1.01 0.00 -1.32 0.00 0.00 176.35 176.26 2jys s ALA 77 N -0.98 3.38 0.07 5.97 0.00 -1.26 -0.77 121.76 128.18 2jys s ALA 77 Ca 0.15 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2jys s ALA 77 Cb -0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2jys s ALA 77 CO 0.06 -0.57 -0.11 0.45 0.00 0.00 0.00 175.76 175.60 2jys s SER 78 N 1.10 1.36 0.00 0.00 0.15 0.15 -4.76 113.70 111.70 2jys s SER 78 Ca 0.49 -0.68 0.15 0.00 0.70 0.00 0.00 55.95 56.62 2jys s SER 78 Cb -0.19 -0.00 0.89 0.00 -1.71 0.00 0.00 66.02 65.01 2jys s SER 78 CO 0.19 -0.19 1.34 -0.81 1.20 0.00 0.00 173.24 174.98 2jys n PRO 79 N 1.03 0.44 -0.49 5.44 -0.04 -1.26 -2.56 135.00 137.57 2jys n PRO 79 Ca -0.20 0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 2jys n PRO 79 Cb 0.56 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.45 -1.11 0.54 4.01 -1.26 -4.93 117.16 111.92 2jys n TYR 80 Ca 0.11 -0.16 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 2jys n TYR 80 Cb 0.06 -1.66 0.24 0.00 -0.31 0.00 0.00 39.34 37.67 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 -4.56 3.45 0.00 7.72 5.68 -1.26 -4.65 116.55 122.94 2jys n ASP 81 Ca 0.02 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.10 2jys n ASP 81 Cb 0.55 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 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 -0.73 0.00 -4.89 2.11 4.11 -1.26 -5.00 117.16 111.50 2jys n TYR 82 Ca 0.24 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.88 2jys n TYR 82 Cb 0.92 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 40.11 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 -1.68 1.53 -0.16 -3.48 1.01 -1.20 -3.58 121.20 113.64 2jys s ILE 83 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2jys s ILE 83 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2jys s ILE 83 CO 0.00 0.40 0.01 -0.76 0.00 0.00 0.00 174.94 174.59 2jys s LEU 84 N -0.54 3.54 -0.10 2.97 1.02 0.40 -0.63 118.68 125.33 2jys s LEU 84 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 54.13 54.21 2jys s LEU 84 Cb -0.08 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 2jys s LEU 84 CO -0.00 0.19 -0.09 -0.76 0.02 0.00 0.00 176.35 175.71 2jys s LEU 85 N 0.28 3.02 0.25 1.79 2.01 -0.90 -0.57 118.68 124.56 2jys s LEU 85 Ca 0.00 -0.14 0.02 0.00 0.01 0.00 0.00 54.13 54.02 2jys s LEU 85 Cb -0.13 -1.67 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 2jys s LEU 85 CO 0.02 0.27 0.42 0.54 1.01 0.00 0.00 176.35 178.60 2jys s ASN 86 N -0.24 6.33 0.56 2.29 4.22 -1.26 -2.31 114.94 124.53 2jys s ASN 86 Ca 0.03 0.27 0.35 0.00 -2.14 0.00 0.00 52.86 51.37 2jys s ASN 86 Cb -0.13 -1.95 1.48 0.00 1.28 0.00 0.00 41.25 41.93 2jys s ASN 86 CO 0.03 -0.12 2.03 1.55 -2.04 0.00 0.00 177.10 178.54 2jys h PRO 87 N 1.34 0.00 0.02 3.55 0.13 -1.76 -2.08 132.00 133.20 2jys h PRO 87 Ca -0.50 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 2jys h PRO 87 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jys h PRO 87 CO 0.64 0.00 -1.00 0.66 -0.23 0.00 0.00 178.00 178.07 2jys h SER 88 N 0.00 0.58 0.81 1.44 4.64 -1.86 -2.82 113.55 116.35 2jys h SER 88 Ca -0.00 -0.48 -0.23 0.00 -0.47 0.00 0.00 61.79 60.61 2jys h SER 88 Cb 0.46 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2jys h SER 88 CO 0.00 1.29 -1.06 0.44 -0.87 0.00 0.00 176.83 176.63 2jys h ASP 89 N 0.24 0.18 -2.36 4.97 3.32 -1.83 -3.36 116.42 117.57 2jys h ASP 89 Ca -0.10 -0.18 -0.61 0.00 0.02 0.00 0.00 57.03 56.16 2jys h ASP 89 Cb 1.64 -0.06 -0.41 0.00 0.22 0.00 0.00 39.33 40.72 2jys h ASP 89 CO 0.18 1.12 -0.54 1.33 -1.72 0.00 0.00 179.24 179.61 2jys n VAL 90 N -3.46 2.37 0.28 -1.35 0.24 -0.81 -4.87 118.33 110.73 2jys n VAL 90 Ca -0.03 -5.20 0.17 0.00 -2.04 0.00 0.00 64.34 57.24 2jys n VAL 90 Cb 0.95 -2.12 0.68 0.00 -1.47 0.00 0.00 33.84 31.88 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 4.42 0.00 0.07 7.34 0.13 -1.66 -2.96 132.00 139.34 2jys h PRO 91 Ca 0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.08 2jys h PRO 91 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2jys h PRO 91 CO 0.84 0.01 -1.13 0.11 -0.23 0.00 0.00 178.00 177.59 2jys h TRP 92 N 0.00 0.29 -0.96 1.56 0.09 -1.89 -3.28 115.95 111.76 2jys h TRP 92 Ca -0.00 -0.21 0.31 0.00 0.09 0.00 0.00 58.89 59.08 2jys h TRP 92 Cb 0.52 -0.01 -0.16 0.00 0.08 0.00 0.00 29.16 29.59 2jys h TRP 92 CO 0.00 1.16 0.39 1.25 0.09 0.00 0.00 178.44 181.33 2jys h LEU 93 N 0.05 0.20 -9.32 0.11 6.46 -1.90 -3.36 115.31 107.54 2jys h LEU 93 Ca -0.08 0.22 -0.55 0.00 -0.12 0.00 0.00 57.88 57.34 2jys h LEU 93 Cb 1.87 0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 42.01 2jys h LEU 93 CO 0.17 -0.23 0.36 -0.04 -0.62 0.00 0.00 178.44 178.08 2jys s MET 94 N -5.76 4.46 0.31 1.25 -1.94 -1.24 -4.93 119.30 111.45 2jys s MET 94 Ca -0.11 1.23 -0.00 0.00 -1.71 0.00 0.00 55.69 55.10 2jys s MET 94 Cb 0.29 -3.49 0.49 0.00 2.01 0.00 0.00 34.83 34.13 2jys s MET 94 CO 0.78 -0.13 1.94 0.87 -0.01 0.00 0.00 175.02 178.47 2jys h LYS 95 N 6.95 0.92 -4.58 2.03 1.57 -1.88 -3.44 116.57 118.15 2jys h LYS 95 Ca -0.37 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.07 2jys h LYS 95 Cb 1.18 -0.19 -0.19 0.00 0.08 0.00 0.00 32.23 33.12 2jys h LYS 95 CO 0.79 0.67 -0.72 -1.59 -0.57 0.00 0.00 179.45 178.03 2jys s LYS 96 N -5.64 0.63 0.98 3.15 -2.85 -1.26 -5.12 119.74 109.64 2jys s LYS 96 Ca -0.10 -0.97 -0.12 0.00 -1.00 0.00 0.00 55.97 53.77 2jys s LYS 96 Cb 0.17 -0.24 0.18 0.00 -2.06 0.00 0.00 37.83 35.88 2jys s LYS 96 CO 0.79 0.02 1.09 -1.25 0.10 0.00 0.00 175.35 176.10 2jys s PRO 97 N -2.43 0.55 0.00 1.78 0.04 -1.26 -5.15 135.00 128.54 2jys s PRO 97 Ca -0.02 0.57 0.29 0.00 0.04 0.00 0.00 61.00 61.88 2jys s PRO 97 Cb -0.04 -1.75 1.18 0.00 0.04 0.00 0.00 34.50 33.93 2jys s PRO 97 CO -0.02 -2.66 1.82 1.28 0.04 0.00 0.00 177.00 177.46