#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 3.56 0.34 -1.09 0.04 -1.26 -4.91 135.00 131.67 2jys s PRO 9 Ca 0.00 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 2jys s PRO 9 Cb 0.00 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2jys s PRO 9 CO 0.00 -0.69 0.46 1.28 0.04 0.00 0.00 177.00 178.08 2jys n LEU 10 N -0.92 0.00 -4.35 -3.56 4.77 0.38 -4.72 117.00 108.60 2jys n LEU 10 Ca 0.10 -0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 2jys n LEU 10 Cb 0.50 -0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 2jys n LEU 10 CO 0.44 -0.82 -0.53 -1.61 -1.33 0.00 0.00 177.39 173.55 2jys s GLU 11 N -3.96 2.44 -0.03 3.23 0.41 -1.26 -1.30 118.70 118.22 2jys s GLU 11 Ca 0.26 -0.84 -0.09 0.00 -0.41 0.00 0.00 54.97 53.90 2jys s GLU 11 Cb -0.01 -2.22 0.01 0.00 -1.78 0.00 0.00 34.13 30.14 2jys s GLU 11 CO 0.18 0.50 0.20 0.00 -0.49 0.00 0.00 175.26 175.65 2jys s ALA 12 N -0.45 -0.49 -0.18 5.21 0.00 -0.79 -2.08 121.76 122.98 2jys s ALA 12 Ca 0.05 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2jys s ALA 12 Cb -0.12 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2jys s ALA 12 CO 0.01 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.76 174.26 2jys s GLU 13 N -0.80 2.20 -0.13 0.00 2.02 -0.09 -0.66 118.70 121.24 2jys s GLU 13 Ca -0.09 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 2jys s GLU 13 Cb -0.05 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2jys s GLU 13 CO 0.02 -0.34 -0.11 0.42 0.02 0.00 0.00 175.26 175.26 2jys s ILE 14 N 1.42 3.26 -1.27 -1.63 1.01 0.62 -0.64 121.20 123.97 2jys s ILE 14 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2jys s ILE 14 Cb -0.15 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2jys s ILE 14 CO -0.09 0.52 0.00 0.29 0.00 0.00 0.00 174.94 175.66 2jys n LYS 15 N 3.47 -1.60 0.00 2.79 5.02 -1.26 0.15 118.16 126.74 2jys n LYS 15 Ca -0.18 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2jys n LYS 15 Cb 0.53 -5.08 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 -0.44 1.85 3.62 0.72 0.00 -1.26 -5.01 105.19 104.66 2jys n GLY 16 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -2.34 4.42 -0.27 2.61 2.01 0.40 -4.99 115.64 117.47 2jys s THR 17 Ca 0.00 1.52 -0.22 0.00 0.31 0.00 0.00 61.69 63.30 2jys s THR 17 Cb 0.00 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 2jys s THR 17 CO 0.00 -0.66 0.73 -0.75 -0.69 0.00 0.00 174.62 173.25 2jys s LYS 18 N 3.90 4.06 0.31 4.92 2.20 -1.26 -0.28 119.74 133.58 2jys s LYS 18 Ca 0.46 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 2jys s LYS 18 Cb -0.10 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2jys s LYS 18 CO 0.21 -0.54 0.12 -0.51 -0.36 0.00 0.00 175.35 174.27 2jys s LEU 19 N 2.74 1.77 0.17 5.43 1.02 0.17 -4.99 118.68 124.99 2jys s LEU 19 Ca 0.30 -1.50 -0.11 0.00 0.02 0.00 0.00 54.13 52.84 2jys s LEU 19 Cb -0.15 0.03 -0.07 0.00 0.02 0.00 0.00 46.19 46.02 2jys s LEU 19 CO 0.10 -0.81 0.52 -0.54 0.02 0.00 0.00 176.35 175.64 2jys s LYS 20 N -3.88 3.86 0.33 1.70 -0.14 -1.26 -1.89 119.74 118.46 2jys s LYS 20 Ca 0.35 0.33 0.03 0.00 -1.36 0.00 0.00 55.97 55.32 2jys s LYS 20 Cb 0.06 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 2jys s LYS 20 CO 0.16 0.42 0.13 0.00 -0.76 0.00 0.00 175.35 175.30 2jys s ALA 21 N -1.62 2.23 -0.07 5.17 0.00 -0.42 -3.52 121.76 123.53 2jys s ALA 21 Ca 0.41 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2jys s ALA 21 Cb -0.13 0.98 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2jys s ALA 21 CO 0.20 -0.43 -0.08 -1.01 0.00 0.00 0.00 175.76 174.43 2jys s HIS 22 N -3.48 1.18 -0.25 0.00 3.76 0.02 0.15 115.29 116.68 2jys s HIS 22 Ca 0.33 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.51 2jys s HIS 22 Cb 0.05 -0.95 -0.00 0.00 1.11 0.00 0.00 32.58 32.79 2jys s HIS 22 CO 0.16 -0.29 1.24 -0.46 -0.85 0.00 0.00 174.74 174.55 2jys s TRP 23 N 0.98 2.84 -0.32 1.40 -0.00 -1.26 -2.21 118.94 120.37 2jys s TRP 23 Ca -0.09 1.00 0.02 0.00 -0.00 0.00 0.00 56.10 57.03 2jys s TRP 23 Cb -0.15 -3.68 0.10 0.00 -0.00 0.00 0.00 33.47 29.74 2jys s TRP 23 CO 0.00 -1.51 0.06 -0.51 -0.00 0.00 0.00 176.95 174.99 2jys s ASP 24 N 2.25 4.45 0.45 5.86 1.01 -1.15 -4.93 116.67 124.61 2jys s ASP 24 Ca 0.54 -1.91 0.14 0.00 0.71 0.00 0.00 52.55 52.03 2jys s ASP 24 Cb -0.18 -1.33 1.03 0.00 1.01 0.00 0.00 42.92 43.45 2jys s ASP 24 CO 0.18 -0.38 2.02 0.77 0.21 0.00 0.00 175.17 177.96 2jys h SER 25 N 7.80 0.04 -0.97 0.27 4.64 -1.94 -2.18 113.55 121.21 2jys h SER 25 Ca -0.08 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.32 2jys h SER 25 Cb 1.02 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 2jys h SER 25 CO 0.50 0.17 0.62 1.23 -0.87 0.00 0.00 176.83 178.48 2jys h GLY 26 N 0.45 1.50 -3.80 -0.77 0.00 -1.93 -3.42 103.07 95.11 2jys h GLY 26 Ca 0.01 -0.43 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 2jys h GLY 26 CO 0.02 0.24 0.69 0.00 0.00 0.00 0.00 176.54 177.49 2jys s ALA 27 N -5.95 3.47 -0.73 3.60 0.00 -0.82 -4.91 121.76 116.42 2jys s ALA 27 Ca -0.12 1.38 0.22 0.00 0.00 0.00 0.00 51.96 53.44 2jys s ALA 27 Cb 0.21 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2jys s ALA 27 CO 0.81 -0.85 0.98 2.41 0.00 0.00 0.00 175.76 179.11 2jys n THR 28 N 0.51 0.07 -4.01 0.00 -1.04 -1.26 -4.33 114.28 104.22 2jys n THR 28 Ca 0.01 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 2jys n THR 28 Cb 0.41 0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 69.29 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 -3.14 0.13 0.19 12.58 1.10 -1.26 -4.81 121.20 125.99 2jys s ILE 29 Ca 0.05 -1.55 -0.31 0.00 -0.51 0.00 0.00 60.65 58.33 2jys s ILE 29 Cb 0.15 -1.70 -0.09 0.00 0.15 0.00 0.00 42.46 40.97 2jys s ILE 29 CO 0.82 -0.57 1.45 -0.89 -2.11 0.00 0.00 174.94 173.64 2jys s THR 30 N -3.95 2.83 -0.13 4.00 2.01 -1.26 -4.39 115.64 114.76 2jys s THR 30 Ca 0.14 0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.81 2jys s THR 30 Cb 0.06 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2jys s THR 30 CO -0.04 0.08 -0.21 0.00 -0.69 0.00 0.00 174.62 173.75 2jys s VAL 32 N 0.65 1.31 0.08 0.00 -7.23 -0.12 0.14 120.40 115.23 2jys s VAL 32 Ca -0.11 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 2jys s VAL 32 Cb -0.16 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2jys s VAL 32 CO 0.02 -0.18 0.98 -2.16 -0.31 0.00 0.00 175.10 173.45 2jys s PRO 33 N -3.83 4.65 0.58 4.82 0.04 -1.24 -0.20 135.00 139.82 2jys s PRO 33 Ca 0.32 1.47 0.35 0.00 0.04 0.00 0.00 61.00 63.18 2jys s PRO 33 Cb 0.06 -3.39 1.32 0.00 0.04 0.00 0.00 34.50 32.53 2jys s PRO 33 CO 0.13 0.12 1.53 1.49 0.04 0.00 0.00 177.00 180.31 2jys h GLU 34 N 5.91 0.00 -1.01 4.56 4.81 -1.81 0.47 114.58 127.51 2jys h GLU 34 Ca -0.42 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.05 2jys h GLU 34 Cb 1.21 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 2jys h GLU 34 CO 0.73 0.00 0.63 0.00 -0.73 0.00 0.00 179.01 179.63 2jys h ALA 35 N 0.92 1.94 -0.00 2.92 0.00 -1.90 1.04 119.26 124.17 2jys h ALA 35 Ca 0.58 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2jys h ALA 35 Cb 2.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.60 2jys h ALA 35 CO -0.01 -0.37 -0.28 1.19 0.00 0.00 0.00 179.25 179.78 2jys n PHE 36 N -4.76 0.00 -0.94 0.00 3.72 0.16 -3.64 117.46 112.01 2jys n PHE 36 Ca 0.25 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.70 2jys n PHE 36 Cb 0.76 -0.22 0.39 0.00 -0.94 0.00 0.00 39.48 39.47 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 -1.10 5.78 -0.25 4.37 4.77 0.36 -4.62 117.00 126.31 2jys n LEU 37 Ca 0.10 -3.00 -0.08 0.00 -0.03 0.00 0.00 56.01 53.00 2jys n LEU 37 Cb 0.33 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2jys n LEU 37 CO 0.29 0.67 0.56 -0.33 -1.33 0.00 0.00 177.39 177.24 2jys h GLU 38 N 3.71 -0.17 -1.27 3.23 5.08 -1.54 1.16 114.58 124.77 2jys h GLU 38 Ca 0.05 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 57.92 2jys h GLU 38 Cb 2.04 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 31.12 2jys h GLU 38 CO 0.54 -0.11 0.64 -0.25 -1.00 0.00 0.00 179.01 178.83 2jys n ASP 39 N -5.39 7.08 -4.23 1.42 8.00 -1.26 -4.99 116.55 117.18 2jys n ASP 39 Ca 0.03 -3.42 -0.51 0.00 0.71 0.00 0.00 54.79 51.60 2jys n ASP 39 Cb 0.34 -1.02 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 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 -0.26 0.00 -3.68 -1.24 0.28 0.40 -4.92 120.64 111.21 2jys n GLU 40 Ca 0.46 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 57.18 2jys n GLU 40 Cb 0.62 -1.18 -0.11 0.00 1.43 0.00 0.00 31.44 32.19 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 -0.50 1.71 -0.18 3.44 6.06 -1.26 -5.08 118.95 123.14 2jys s ARG 41 Ca 0.73 -2.69 -0.29 0.00 -2.50 0.00 0.00 55.73 50.98 2jys s ARG 41 Cb -1.04 -2.52 -0.03 0.00 0.06 0.00 0.00 34.95 31.42 2jys s ARG 41 CO 0.54 -1.30 1.60 -1.25 -2.50 0.00 0.00 175.30 172.38 2jys s PRO 42 N -0.62 3.90 0.14 5.12 0.04 -1.26 -3.64 135.00 138.68 2jys s PRO 42 Ca 0.27 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2jys s PRO 42 Cb -0.04 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.38 2jys s PRO 42 CO -0.15 -1.16 1.32 -0.84 0.04 0.00 0.00 177.00 176.20 2jys h ILE 43 N 5.99 1.59 -4.11 0.56 3.07 -1.77 -3.47 117.51 119.37 2jys h ILE 43 Ca -0.34 -3.00 -0.13 0.00 1.55 0.00 0.00 64.86 62.94 2jys h ILE 43 Cb 1.15 2.68 -0.14 0.00 -0.27 0.00 0.00 36.82 40.24 2jys h ILE 43 CO 0.99 0.86 -0.51 -1.10 -1.05 0.00 0.00 178.15 177.35 2jys s GLN 44 N -2.94 0.91 0.24 0.16 -0.21 -1.24 -5.05 119.66 111.54 2jys s GLN 44 Ca -0.01 -1.23 0.12 0.00 0.02 0.00 0.00 55.36 54.26 2jys s GLN 44 Cb 0.10 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.35 2jys s GLN 44 CO 0.83 -0.28 -0.21 0.95 -2.12 0.00 0.00 175.29 174.46 2jys s THR 45 N -3.96 2.47 -0.04 -0.19 -4.23 -1.26 -0.68 115.64 107.75 2jys s THR 45 Ca 0.15 -2.23 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 2jys s THR 45 Cb 0.06 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2jys s THR 45 CO -0.04 -0.28 0.16 -0.04 -0.54 0.00 0.00 174.62 173.88 2jys s MET 46 N -3.16 0.31 -0.23 3.99 -1.94 0.13 -4.85 119.30 113.55 2jys s MET 46 Ca 0.26 -0.00 -0.17 0.00 -1.71 0.00 0.00 55.69 54.07 2jys s MET 46 Cb -0.06 0.14 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 2jys s MET 46 CO 0.13 -0.06 0.45 -1.17 -0.01 0.00 0.00 175.02 174.36 2jys s LEU 47 N -0.47 4.11 -0.13 -0.03 2.96 -1.26 -1.03 118.68 122.83 2jys s LEU 47 Ca -0.06 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2jys s LEU 47 Cb -0.04 -2.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.07 2jys s LEU 47 CO 0.01 -0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.04 2jys s ILE 48 N 1.75 2.38 -0.11 6.68 -1.09 -0.07 -4.89 121.20 125.86 2jys s ILE 48 Ca 0.20 -0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 2jys s ILE 48 Cb -0.15 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.74 2jys s ILE 48 CO 0.09 0.54 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.80 2jys s LYS 49 N 0.57 3.18 0.48 2.79 1.02 -1.26 0.33 119.74 126.85 2jys s LYS 49 Ca -0.11 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2jys s LYS 49 Cb -0.16 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2jys s LYS 49 CO 0.04 0.59 0.07 0.95 -0.92 0.00 0.00 175.35 176.07 2jys s THR 50 N -0.57 0.82 0.04 2.17 -4.23 0.17 -4.90 115.64 109.14 2jys s THR 50 Ca 0.09 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.36 2jys s THR 50 Cb -0.12 -2.17 -0.17 0.00 1.34 0.00 0.00 72.50 71.38 2jys s THR 50 CO 0.02 0.00 1.53 0.40 -0.54 0.00 0.00 174.62 176.03 2jys h ILE 51 N 1.50 1.17 -0.60 2.99 2.04 -2.02 -2.95 117.51 119.63 2jys h ILE 51 Ca -0.40 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.07 2jys h ILE 51 Cb 1.30 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.81 2jys h ILE 51 CO 0.65 0.13 0.13 -0.74 0.00 0.00 0.00 178.15 178.32 2jys h HIS 52 N -0.22 0.20 0.00 1.37 2.76 -2.04 -3.47 115.15 113.75 2jys h HIS 52 Ca -0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jys h HIS 52 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2jys h HIS 52 CO -0.00 -0.03 0.00 0.41 -1.30 0.00 0.00 177.93 177.01 2jys n GLY 53 N -1.32 -1.29 3.75 5.26 0.00 -1.11 -5.13 105.19 105.35 2jys n GLY 53 Ca 0.09 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.68 4.49 0.07 1.61 2.02 -1.26 -0.66 118.70 124.29 2jys s GLU 54 Ca 0.00 1.06 0.06 0.00 0.02 0.00 0.00 54.97 56.11 2jys s GLU 54 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2jys s GLU 54 CO 0.00 0.34 -0.17 0.15 0.02 0.00 0.00 175.26 175.60 2jys s LYS 55 N -0.26 0.97 -0.27 1.61 1.02 0.15 -4.90 119.74 118.06 2jys s LYS 55 Ca 0.37 -0.98 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 2jys s LYS 55 Cb -0.21 -1.06 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 2jys s LYS 55 CO 0.23 0.25 0.23 -1.14 -0.92 0.00 0.00 175.35 174.00 2jys s GLN 56 N -1.65 4.00 -0.08 1.68 2.00 -1.26 -0.89 119.66 123.45 2jys s GLN 56 Ca 0.02 -0.21 0.04 0.00 -2.00 0.00 0.00 55.36 53.21 2jys s GLN 56 Cb -0.10 -3.63 -0.01 0.00 0.80 0.00 0.00 33.01 30.07 2jys s GLN 56 CO 0.03 -0.15 -0.22 -1.14 -0.50 0.00 0.00 175.29 173.30 2jys s GLN 57 N 1.69 2.87 0.20 1.67 2.00 -0.20 -4.89 119.66 122.99 2jys s GLN 57 Ca 0.09 -0.84 0.07 0.00 -2.00 0.00 0.00 55.36 52.68 2jys s GLN 57 Cb -0.15 -2.31 -0.04 0.00 0.80 0.00 0.00 33.01 31.31 2jys s GLN 57 CO 0.09 0.30 0.05 -0.51 -0.50 0.00 0.00 175.29 174.72 2jys s ASP 58 N 0.06 4.96 -0.13 6.67 1.01 -1.26 0.18 116.67 128.17 2jys s ASP 58 Ca -0.09 -0.38 -0.10 0.00 0.71 0.00 0.00 52.55 52.69 2jys s ASP 58 Cb -0.15 -1.11 -0.05 0.00 1.01 0.00 0.00 42.92 42.62 2jys s ASP 58 CO 0.06 0.05 0.20 0.54 0.21 0.00 0.00 175.17 176.23 2jys s VAL 59 N -1.90 5.39 0.00 -1.27 0.11 0.14 -4.84 120.40 118.04 2jys s VAL 59 Ca 0.29 0.34 0.08 0.00 -2.93 0.00 0.00 61.98 59.76 2jys s VAL 59 Cb -0.09 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2jys s VAL 59 CO 0.20 0.54 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.97 2jys s TYR 60 N -0.51 2.13 -0.33 1.54 1.51 -0.84 -2.00 117.35 118.85 2jys s TYR 60 Ca 0.15 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 2jys s TYR 60 Cb -0.13 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 2jys s TYR 60 CO 0.04 0.01 0.20 -0.47 -1.11 0.00 0.00 175.55 174.22 2jys s TYR 61 N -0.64 3.20 0.29 2.71 5.04 -1.24 0.26 117.35 126.98 2jys s TYR 61 Ca 0.09 -0.46 0.11 0.00 -2.44 0.00 0.00 57.07 54.38 2jys s TYR 61 Cb -0.09 -2.42 -0.05 0.00 0.35 0.00 0.00 41.96 39.75 2jys s TYR 61 CO 0.00 -0.44 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.10 2jys s LEU 62 N 1.65 2.67 -0.19 6.97 1.43 -0.08 -4.88 118.68 126.25 2jys s LEU 62 Ca 0.05 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.14 2jys s LEU 62 Cb -0.17 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2jys s LEU 62 CO 0.08 -0.01 -0.15 -0.89 0.23 0.00 0.00 176.35 175.61 2jys s THR 63 N -2.51 1.90 0.09 5.49 2.01 -1.26 -2.04 115.64 119.31 2jys s THR 63 Ca 0.31 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 2jys s THR 63 Cb -0.04 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2jys s THR 63 CO 0.16 0.33 0.09 0.72 -0.69 0.00 0.00 174.62 175.23 2jys s PHE 64 N 1.31 0.46 -0.18 4.92 -0.71 -0.82 -4.11 117.98 118.87 2jys s PHE 64 Ca 0.01 -0.92 -0.13 0.00 -1.04 0.00 0.00 56.93 54.84 2jys s PHE 64 Cb -0.15 -0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.34 2jys s PHE 64 CO -0.10 -0.50 0.28 0.15 -1.34 0.00 0.00 175.22 173.71 2jys s LYS 65 N -3.93 4.23 -0.33 1.99 1.02 0.19 -0.24 119.74 122.67 2jys s LYS 65 Ca 0.11 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.06 2jys s LYS 65 Cb 0.06 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2jys s LYS 65 CO -0.07 0.20 0.13 0.08 -0.92 0.00 0.00 175.35 174.77 2jys s VAL 66 N 0.61 4.16 -1.36 3.17 1.01 0.22 -0.91 120.40 127.30 2jys s VAL 66 Ca 0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2jys s VAL 66 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2jys s VAL 66 CO 0.04 -0.06 0.35 0.00 0.00 0.00 0.00 175.10 175.42 2jys n GLN 67 N 4.90 -3.23 -1.27 2.72 6.02 -0.89 -1.75 117.38 123.89 2jys n GLN 67 Ca -0.13 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2jys n GLN 67 Cb 0.47 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.42 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 -1.28 0.44 2.89 1.08 0.00 -1.26 -5.03 105.19 102.04 2jys n GLY 68 Ca -0.13 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.56 1.43 0.05 1.61 0.52 -0.72 -5.09 118.95 114.19 2jys s ARG 69 Ca 0.00 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 2jys s ARG 69 Cb 0.00 -2.36 -0.09 0.00 0.52 0.00 0.00 34.95 33.02 2jys s ARG 69 CO 0.00 -0.56 1.90 0.21 0.02 0.00 0.00 175.30 176.87 2jys s LYS 70 N 1.53 4.15 -0.03 3.54 2.20 -1.26 0.71 119.74 130.57 2jys s LYS 70 Ca -0.03 2.56 -0.02 0.00 -0.36 0.00 0.00 55.97 58.12 2jys s LYS 70 Cb -0.18 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.16 2jys s LYS 70 CO -0.07 -0.92 0.08 0.08 -0.36 0.00 0.00 175.35 174.16 2jys s VAL 71 N 4.02 -0.04 -0.06 4.02 1.01 0.67 -4.88 120.40 125.14 2jys s VAL 71 Ca 0.85 0.13 0.04 0.00 0.00 0.00 0.00 61.98 63.00 2jys s VAL 71 Cb -0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2jys s VAL 71 CO 0.39 0.05 -0.18 -1.61 0.00 0.00 0.00 175.10 173.75 2jys s GLU 72 N 0.74 2.61 0.00 2.72 2.02 -1.26 -1.94 118.70 123.59 2jys s GLU 72 Ca -0.06 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2jys s GLU 72 Cb -0.08 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2jys s GLU 72 CO -0.03 0.49 0.00 0.00 0.02 0.00 0.00 175.26 175.74 2jys n ALA 73 N 2.68 0.00 -1.90 5.21 0.00 -0.87 -5.00 120.51 120.63 2jys n ALA 73 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2jys n ALA 73 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.91 1.73 -0.03 0.00 2.02 -1.26 -0.90 118.70 118.35 2jys s GLU 74 Ca 0.00 0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.72 2jys s GLU 74 Cb 0.00 -1.93 0.07 0.00 0.10 0.00 0.00 34.13 32.37 2jys s GLU 74 CO 0.00 -1.74 0.65 0.08 0.02 0.00 0.00 175.26 174.27 2jys s VAL 75 N -3.63 0.00 0.03 2.63 1.01 0.74 -4.05 120.40 117.13 2jys s VAL 75 Ca 0.64 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.68 2jys s VAL 75 Cb -0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2jys s VAL 75 CO 0.50 -0.02 -0.25 -0.22 0.00 0.00 0.00 175.10 175.11 2jys s LEU 76 N -1.36 2.14 0.08 3.92 2.96 -0.76 -1.98 118.68 123.69 2jys s LEU 76 Ca -0.10 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.97 2jys s LEU 76 Cb -0.00 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2jys s LEU 76 CO 0.07 0.24 0.97 0.00 -1.32 0.00 0.00 176.35 176.32 2jys s ALA 77 N -0.76 3.23 0.03 5.97 0.00 -1.26 -0.95 121.76 128.03 2jys s ALA 77 Ca 0.10 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2jys s ALA 77 Cb -0.10 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2jys s ALA 77 CO 0.01 -0.09 -0.05 0.45 0.00 0.00 0.00 175.76 176.09 2jys s SER 78 N 0.27 0.47 0.00 0.00 0.15 0.71 -4.78 113.70 110.52 2jys s SER 78 Ca 0.48 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.73 2jys s SER 78 Cb -0.23 0.09 0.94 0.00 -1.71 0.00 0.00 66.02 65.11 2jys s SER 78 CO 0.30 -0.29 1.38 -0.81 1.20 0.00 0.00 173.24 175.01 2jys n PRO 79 N 1.42 0.61 -0.85 5.44 -0.04 -1.26 -2.61 135.00 137.70 2jys n PRO 79 Ca -0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 2jys n PRO 79 Cb 0.55 -1.40 0.20 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.75 -0.74 0.54 2.02 -1.26 -4.94 117.35 112.72 2jys s TYR 80 Ca 0.24 1.18 0.14 0.00 -0.37 0.00 0.00 57.07 58.26 2jys s TYR 80 Cb 0.11 -3.18 0.46 0.00 -0.40 0.00 0.00 41.96 38.95 2jys s TYR 80 CO 0.18 -3.27 1.38 -0.40 -1.57 0.00 0.00 175.55 171.87 2jys n ASP 81 N -4.48 3.58 0.00 2.29 5.68 -1.26 -4.64 116.55 117.71 2jys n ASP 81 Ca 0.05 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 2jys n ASP 81 Cb 0.55 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.31 0.00 -4.44 2.11 4.11 -1.26 -5.03 117.16 112.96 2jys n TYR 82 Ca 0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.86 2jys n TYR 82 Cb 0.66 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.87 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 -0.24 1.20 -0.10 -3.48 1.01 -1.23 -3.63 121.20 114.73 2jys s ILE 83 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2jys s ILE 83 Cb 0.00 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2jys s ILE 83 CO 0.00 0.08 -0.06 -0.76 0.00 0.00 0.00 174.94 174.21 2jys s LEU 84 N -1.02 3.20 -0.01 2.97 1.02 0.36 -0.80 118.68 124.41 2jys s LEU 84 Ca 0.03 -0.06 -0.01 0.00 0.02 0.00 0.00 54.13 54.11 2jys s LEU 84 Cb -0.08 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 2jys s LEU 84 CO 0.01 0.29 0.09 -0.76 0.02 0.00 0.00 176.35 176.00 2jys s LEU 85 N -0.39 3.95 -0.10 1.79 2.01 -0.94 -1.68 118.68 123.32 2jys s LEU 85 Ca 0.06 0.17 -0.11 0.00 0.01 0.00 0.00 54.13 54.25 2jys s LEU 85 Cb -0.12 -2.30 -0.05 0.00 0.01 0.00 0.00 46.19 43.73 2jys s LEU 85 CO 0.02 0.27 0.26 0.21 1.01 0.00 0.00 176.35 178.13 2jys s ASN 86 N -1.74 6.52 0.40 2.29 2.47 -1.26 -2.91 114.94 120.71 2jys s ASN 86 Ca 0.23 0.62 0.10 0.00 0.42 0.00 0.00 52.86 54.23 2jys s ASN 86 Cb -0.12 -2.16 0.84 0.00 -1.45 0.00 0.00 41.25 38.37 2jys s ASN 86 CO 0.14 0.28 1.95 1.55 -3.72 0.00 0.00 177.10 177.31 2jys h PRO 87 N 5.48 0.24 -0.00 0.43 0.13 -1.75 -1.50 132.00 135.02 2jys h PRO 87 Ca -0.49 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.43 2jys h PRO 87 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2jys h PRO 87 CO 0.65 0.33 -0.77 0.77 -0.23 0.00 0.00 178.00 178.76 2jys h SER 88 N 0.23 0.02 0.81 1.44 0.02 -1.88 -3.10 113.55 111.09 2jys h SER 88 Ca 0.05 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.80 2jys h SER 88 Cb 0.29 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2jys h SER 88 CO 0.01 0.77 -0.90 0.44 -1.14 0.00 0.00 176.83 176.02 2jys h ASP 89 N 0.01 0.07 -2.66 3.07 3.32 -1.76 -3.37 116.42 115.10 2jys h ASP 89 Ca -0.01 -0.07 -0.61 0.00 0.02 0.00 0.00 57.03 56.37 2jys h ASP 89 Cb 1.35 -0.02 -0.42 0.00 0.22 0.00 0.00 39.33 40.46 2jys h ASP 89 CO 0.10 0.94 -0.63 1.33 -1.72 0.00 0.00 179.24 179.26 2jys n VAL 90 N -3.52 1.62 0.22 -1.35 0.24 -0.62 -4.90 118.33 110.02 2jys n VAL 90 Ca -0.01 -4.87 0.09 0.00 -2.04 0.00 0.00 64.34 57.51 2jys n VAL 90 Cb 0.84 -2.11 0.47 0.00 -1.47 0.00 0.00 33.84 31.58 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 4.89 0.00 0.00 7.34 0.13 -1.71 -2.90 132.00 139.76 2jys h PRO 91 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.18 2jys h PRO 91 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2jys h PRO 91 CO 0.73 0.25 -0.60 0.11 -0.23 0.00 0.00 178.00 178.26 2jys h TRP 92 N 0.00 0.00 -0.73 1.56 0.09 -1.90 -3.08 115.95 111.89 2jys h TRP 92 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 58.89 59.01 2jys h TRP 92 Cb 0.71 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.90 2jys h TRP 92 CO 0.00 0.60 0.48 1.25 0.09 0.00 0.00 178.44 180.86 2jys h LEU 93 N 0.00 0.77-10.05 0.11 6.46 -1.89 -3.42 115.31 107.30 2jys h LEU 93 Ca -0.01 -0.01 -0.45 0.00 -0.12 0.00 0.00 57.88 57.29 2jys h LEU 93 Cb 1.17 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 2jys h LEU 93 CO 0.08 0.53 0.35 -0.04 -0.62 0.00 0.00 178.44 178.74 2jys s MET 94 N -5.77 4.15 0.76 1.25 -1.94 -1.16 -5.00 119.30 111.58 2jys s MET 94 Ca -0.10 1.20 -0.15 0.00 -1.71 0.00 0.00 55.69 54.93 2jys s MET 94 Cb 0.18 -2.21 0.06 0.00 2.01 0.00 0.00 34.83 34.88 2jys s MET 94 CO 0.78 -0.11 1.24 -1.59 -0.01 0.00 0.00 175.02 175.32 2jys s LYS 95 N -3.11 1.87 0.26 2.03 -2.85 -1.26 -5.02 119.74 111.66 2jys s LYS 95 Ca 0.62 1.87 0.10 0.00 -1.00 0.00 0.00 55.97 57.56 2jys s LYS 95 Cb -0.12 -1.79 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 2jys s LYS 95 CO 0.16 -2.07 -0.07 0.15 0.10 0.00 0.00 175.35 173.62 2jys s LYS 96 N -3.91 2.10 0.29 1.78 1.02 -1.26 -5.01 119.74 114.75 2jys s LYS 96 Ca 0.76 -1.49 0.25 0.00 0.02 0.00 0.00 55.97 55.51 2jys s LYS 96 Cb -0.32 -2.06 1.02 0.00 -0.52 0.00 0.00 37.83 35.95 2jys s LYS 96 CO 0.48 0.36 1.75 -1.00 -0.92 0.00 0.00 175.35 176.02 2jys h PRO 97 N 2.11 0.00 0.00 -1.68 0.13 -2.02 -3.56 132.00 126.98 2jys h PRO 97 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jys h PRO 97 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jys h PRO 97 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64