#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 2.91 0.10 -1.09 0.04 -1.26 -4.88 135.00 130.81 2jys s PRO 9 Ca 0.00 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2jys s PRO 9 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2jys s PRO 9 CO 0.00 -1.17 0.13 1.28 0.04 0.00 0.00 177.00 177.28 2jys n LEU 10 N -2.27 0.00 -4.22 -3.56 4.77 0.39 -4.78 117.00 107.33 2jys n LEU 10 Ca 0.10 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 2jys n LEU 10 Cb 0.52 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.36 2jys n LEU 10 CO 0.47 -0.57 -0.54 -1.61 -1.33 0.00 0.00 177.39 173.81 2jys s GLU 11 N -2.87 1.99 0.03 3.23 2.02 -1.26 -1.36 118.70 120.48 2jys s GLU 11 Ca 0.08 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.18 2jys s GLU 11 Cb -0.00 -1.79 0.01 0.00 0.10 0.00 0.00 34.13 32.45 2jys s GLU 11 CO 0.06 0.38 0.26 0.00 0.02 0.00 0.00 175.26 175.98 2jys s ALA 12 N -0.26 -0.58 -0.20 5.21 0.00 -0.51 -1.23 121.76 124.19 2jys s ALA 12 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2jys s ALA 12 Cb -0.11 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2jys s ALA 12 CO 0.01 -0.37 -0.12 -2.00 0.00 0.00 0.00 175.76 173.28 2jys s GLU 13 N -2.35 2.23 -0.17 0.00 2.12 0.13 -0.75 118.70 119.91 2jys s GLU 13 Ca -0.07 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.36 2jys s GLU 13 Cb -0.02 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 2jys s GLU 13 CO -0.02 -0.39 -0.03 0.42 -0.54 0.00 0.00 175.26 174.69 2jys s ILE 14 N 1.36 3.79 -2.13 -3.70 1.01 0.63 0.19 121.20 122.35 2jys s ILE 14 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2jys s ILE 14 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2jys s ILE 14 CO -0.09 0.47 0.00 0.29 0.00 0.00 0.00 174.94 175.61 2jys n LYS 15 N 3.86 -1.48 0.00 2.79 5.02 -1.25 -0.32 118.16 126.78 2jys n LYS 15 Ca -0.17 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2jys n LYS 15 Cb 0.52 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 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 -0.53 2.28 3.71 0.72 0.00 -1.26 -5.02 105.19 105.09 2jys n GLY 16 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -2.31 4.83 -0.18 2.61 2.01 0.56 -5.01 115.64 118.14 2jys s THR 17 Ca 0.00 2.06 -0.18 0.00 0.31 0.00 0.00 61.69 63.88 2jys s THR 17 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2jys s THR 17 CO 0.00 0.18 0.51 -0.75 -0.69 0.00 0.00 174.62 173.86 2jys s LYS 18 N 0.91 4.22 0.19 4.92 2.20 -1.26 -0.27 119.74 130.65 2jys s LYS 18 Ca 0.51 0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 56.49 2jys s LYS 18 Cb -0.21 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2jys s LYS 18 CO 0.28 -0.09 0.21 -0.51 -0.36 0.00 0.00 175.35 174.88 2jys s LEU 19 N 1.44 1.06 0.28 5.43 1.43 0.07 -4.99 118.68 123.40 2jys s LEU 19 Ca 0.24 -1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.10 2jys s LEU 19 Cb -0.15 0.76 -0.05 0.00 0.03 0.00 0.00 46.19 46.78 2jys s LEU 19 CO 0.10 -0.89 0.54 -0.54 0.23 0.00 0.00 176.35 175.79 2jys s LYS 20 N -4.09 3.65 0.25 1.70 1.02 -1.26 -1.42 119.74 119.59 2jys s LYS 20 Ca 0.30 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.33 2jys s LYS 20 Cb 0.05 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2jys s LYS 20 CO 0.08 0.24 0.15 0.00 -0.92 0.00 0.00 175.35 174.90 2jys s ALA 21 N -2.04 1.51 -0.12 5.17 0.00 -0.46 -3.58 121.76 122.24 2jys s ALA 21 Ca 0.44 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2jys s ALA 21 Cb -0.11 1.31 0.02 0.00 0.00 0.00 0.00 23.12 24.34 2jys s ALA 21 CO 0.29 -0.57 -0.14 -1.01 0.00 0.00 0.00 175.76 174.33 2jys s HIS 22 N -3.88 1.95 -0.14 0.00 3.76 -0.03 0.15 115.29 117.09 2jys s HIS 22 Ca 0.38 -0.96 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 2jys s HIS 22 Cb 0.06 -1.43 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 2jys s HIS 22 CO 0.16 -0.51 1.17 -0.46 -0.85 0.00 0.00 174.74 174.24 2jys s TRP 23 N 1.15 3.13 -0.28 1.40 -0.00 -1.26 -2.36 118.94 120.72 2jys s TRP 23 Ca -0.03 1.23 -0.00 0.00 -0.00 0.00 0.00 56.10 57.30 2jys s TRP 23 Cb -0.14 -3.39 0.09 0.00 -0.00 0.00 0.00 33.47 30.02 2jys s TRP 23 CO -0.04 -1.15 0.05 0.34 -0.00 0.00 0.00 176.95 176.15 2jys s ASP 24 N 1.57 3.88 0.57 5.86 2.15 -1.21 -4.95 116.67 124.53 2jys s ASP 24 Ca 0.52 -1.46 0.28 0.00 0.43 0.00 0.00 52.55 52.32 2jys s ASP 24 Cb -0.21 -0.95 1.68 0.00 -0.30 0.00 0.00 42.92 43.14 2jys s ASP 24 CO 0.15 -0.36 2.20 0.77 -0.17 0.00 0.00 175.17 177.76 2jys h SER 25 N 8.04 0.00 -0.24 -0.34 4.64 -1.94 -1.38 113.55 122.33 2jys h SER 25 Ca -0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 2jys h SER 25 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2jys h SER 25 CO 0.44 0.03 0.04 1.23 -0.87 0.00 0.00 176.83 177.70 2jys h GLY 26 N 0.21 0.53 -3.62 -0.77 0.00 -1.94 -3.42 103.07 94.06 2jys h GLY 26 Ca -0.00 -0.29 -0.50 0.00 0.00 0.00 0.00 47.33 46.54 2jys h GLY 26 CO 0.00 0.27 0.49 0.00 0.00 0.00 0.00 176.54 177.31 2jys s ALA 27 N -5.04 3.35 -1.71 3.60 0.00 -0.52 -4.93 121.76 116.51 2jys s ALA 27 Ca -0.07 0.94 0.17 0.00 0.00 0.00 0.00 51.96 52.99 2jys s ALA 27 Cb 0.16 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2jys s ALA 27 CO 0.75 -0.28 0.92 0.25 0.00 0.00 0.00 175.76 177.41 2jys n THR 28 N 0.86 0.00 -3.84 0.00 -2.24 -1.26 -4.15 114.28 103.65 2jys n THR 28 Ca 0.00 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 2jys n THR 28 Cb 0.45 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.76 0.06 0.25 2.28 2.07 -1.26 -4.82 121.20 118.01 2jys s ILE 29 Ca 0.16 -0.52 -0.31 0.00 -1.41 0.00 0.00 60.65 58.57 2jys s ILE 29 Cb 0.14 -0.43 -0.11 0.00 0.13 0.00 0.00 42.46 42.19 2jys s ILE 29 CO 0.35 -0.29 1.60 -0.89 -1.91 0.00 0.00 174.94 173.80 2jys s THR 30 N -1.08 2.20 -0.12 4.00 2.01 -1.25 -4.49 115.64 116.92 2jys s THR 30 Ca -0.12 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.06 2jys s THR 30 Cb -0.06 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2jys s THR 30 CO 0.02 0.02 -0.17 0.00 -0.69 0.00 0.00 174.62 173.79 2jys s VAL 32 N 0.43 1.04 0.05 0.00 -7.23 -0.18 0.14 120.40 114.66 2jys s VAL 32 Ca -0.13 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.70 2jys s VAL 32 Cb -0.17 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2jys s VAL 32 CO 0.06 -0.41 1.03 -2.16 -0.31 0.00 0.00 175.10 173.31 2jys s PRO 33 N -3.84 4.57 0.59 4.82 0.04 -1.24 -0.62 135.00 139.31 2jys s PRO 33 Ca 0.26 1.52 0.33 0.00 0.04 0.00 0.00 61.00 63.15 2jys s PRO 33 Cb 0.05 -3.40 1.25 0.00 0.04 0.00 0.00 34.50 32.44 2jys s PRO 33 CO 0.07 -0.01 1.51 1.49 0.04 0.00 0.00 177.00 180.10 2jys h GLU 34 N 6.36 0.00 -1.04 4.56 4.81 -1.82 0.41 114.58 127.86 2jys h GLU 34 Ca -0.42 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.08 2jys h GLU 34 Cb 1.22 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 2jys h GLU 34 CO 0.75 0.00 0.67 0.00 -0.73 0.00 0.00 179.01 179.70 2jys h ALA 35 N 0.88 2.22 -0.00 2.92 0.00 -1.90 1.17 119.26 124.54 2jys h ALA 35 Ca 0.54 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2jys h ALA 35 Cb 2.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.53 2jys h ALA 35 CO -0.01 -0.62 -0.32 1.19 0.00 0.00 0.00 179.25 179.49 2jys n PHE 36 N -4.63 0.00 -0.51 0.00 3.72 0.14 -3.79 117.46 112.40 2jys n PHE 36 Ca 0.25 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.63 2jys n PHE 36 Cb 0.87 -0.20 0.25 0.00 -0.94 0.00 0.00 39.48 39.46 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 -1.07 4.99 -0.21 4.37 4.77 0.40 -4.58 117.00 125.67 2jys n LEU 37 Ca 0.10 -2.57 -0.08 0.00 -0.03 0.00 0.00 56.01 53.42 2jys n LEU 37 Cb 0.33 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 2jys n LEU 37 CO 0.29 0.66 0.57 -0.08 -1.33 0.00 0.00 177.39 177.50 2jys h GLU 38 N 2.25 -0.21 -1.09 3.23 4.57 -1.64 0.63 114.58 122.32 2jys h GLU 38 Ca 0.16 0.01 -0.55 0.00 -1.18 0.00 0.00 59.36 57.80 2jys h GLU 38 Cb 1.88 0.05 -0.26 0.00 -0.16 0.00 0.00 28.75 30.26 2jys h GLU 38 CO 0.53 -0.14 0.71 -0.40 -1.18 0.00 0.00 179.01 178.52 2jys n ASP 39 N -5.41 6.25 -4.35 1.04 5.68 -1.26 -5.00 116.55 113.51 2jys n ASP 39 Ca 0.02 -3.55 -0.56 0.00 -0.50 0.00 0.00 54.79 50.20 2jys n ASP 39 Cb 0.35 -0.94 -0.07 0.00 -1.14 0.00 0.00 41.12 39.32 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 -0.71 0.00 -3.82 0.11 0.28 0.22 -4.91 120.64 111.80 2jys n GLU 40 Ca 0.54 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.25 2jys n GLU 40 Cb 0.92 -1.40 -0.13 0.00 1.43 0.00 0.00 31.44 32.25 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 -0.10 1.76 -0.15 3.44 3.52 -1.26 -5.08 118.95 121.08 2jys s ARG 41 Ca 0.85 -2.51 -0.29 0.00 -0.13 0.00 0.00 55.73 53.65 2jys s ARG 41 Cb -1.20 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2jys s ARG 41 CO 0.55 -1.18 1.56 -1.25 -0.81 0.00 0.00 175.30 174.17 2jys s PRO 42 N -0.26 4.02 0.06 5.12 0.04 -1.26 -3.73 135.00 138.99 2jys s PRO 42 Ca 0.20 1.84 0.18 0.00 0.04 0.00 0.00 61.00 63.26 2jys s PRO 42 Cb -0.20 -3.96 -0.14 0.00 0.04 0.00 0.00 34.50 30.24 2jys s PRO 42 CO -0.04 -1.02 0.79 0.44 0.04 0.00 0.00 177.00 177.21 2jys n ILE 43 N 5.87 1.05 -4.20 0.56 -5.35 -0.74 -4.96 119.36 111.59 2jys n ILE 43 Ca 0.17 -0.67 -0.17 0.00 -0.27 0.00 0.00 62.75 61.81 2jys n ILE 43 Cb 0.44 -0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 37.65 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 -3.00 1.80 0.12 6.28 -0.21 -1.22 -5.02 119.66 118.40 2jys s GLN 44 Ca -0.03 -1.90 0.10 0.00 0.02 0.00 0.00 55.36 53.55 2jys s GLN 44 Cb 0.09 0.37 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 2jys s GLN 44 CO 0.82 -0.70 -0.26 0.95 -2.12 0.00 0.00 175.29 173.98 2jys s THR 45 N -3.32 2.16 0.02 -0.19 -4.23 -1.26 -0.30 115.64 108.52 2jys s THR 45 Ca 0.37 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2jys s THR 45 Cb 0.01 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2jys s THR 45 CO 0.24 0.08 -0.04 -0.32 -0.54 0.00 0.00 174.62 174.03 2jys s MET 46 N -1.99 0.34 -0.14 3.99 1.75 -0.01 -4.71 119.30 118.52 2jys s MET 46 Ca 0.13 -0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.13 2jys s MET 46 Cb -0.10 -0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.37 2jys s MET 46 CO 0.05 0.03 -0.06 -1.17 -0.65 0.00 0.00 175.02 173.23 2jys s LEU 47 N -0.83 3.11 -0.04 4.11 0.20 -1.26 -1.49 118.68 122.48 2jys s LEU 47 Ca -0.06 -0.17 0.05 0.00 0.69 0.00 0.00 54.13 54.65 2jys s LEU 47 Cb -0.06 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 2jys s LEU 47 CO -0.00 0.19 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.43 2jys s ILE 48 N 0.24 2.69 -0.09 6.68 -1.09 0.17 -4.94 121.20 124.86 2jys s ILE 48 Ca -0.04 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 2jys s ILE 48 Cb -0.14 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 2jys s ILE 48 CO 0.04 0.59 -0.07 -0.75 -1.23 0.00 0.00 174.94 173.51 2jys s LYS 49 N -0.65 1.37 0.37 2.79 2.20 -1.26 0.16 119.74 124.72 2jys s LYS 49 Ca 0.10 -0.23 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2jys s LYS 49 Cb -0.11 -1.36 -0.07 0.00 -1.51 0.00 0.00 37.83 34.78 2jys s LYS 49 CO 0.00 -0.17 -0.01 0.95 -0.36 0.00 0.00 175.35 175.77 2jys s THR 50 N 1.35 1.88 0.21 3.43 -4.23 0.54 -4.95 115.64 113.86 2jys s THR 50 Ca -0.02 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.37 2jys s THR 50 Cb -0.14 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.94 2jys s THR 50 CO -0.04 -0.06 1.70 0.16 -0.54 0.00 0.00 174.62 175.85 2jys h ILE 51 N 1.91 1.26 -0.26 2.99 3.07 -2.03 -2.52 117.51 121.94 2jys h ILE 51 Ca -0.43 -1.04 -0.04 0.00 1.55 0.00 0.00 64.86 64.90 2jys h ILE 51 Cb 1.24 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 2jys h ILE 51 CO 0.76 0.39 -0.02 0.45 -1.05 0.00 0.00 178.15 178.68 2jys h HIS 52 N 0.99 0.40 0.00 0.16 3.86 -2.05 -3.47 115.15 115.04 2jys h HIS 52 Ca 0.19 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jys h HIS 52 Cb 0.45 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2jys h HIS 52 CO 0.03 0.42 0.00 0.41 0.86 0.00 0.00 177.93 179.66 2jys n GLY 53 N -0.98 -1.56 3.68 2.45 0.00 -0.95 -5.14 105.19 102.70 2jys n GLY 53 Ca 0.01 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.87 3.86 -0.07 1.61 2.12 -1.26 -0.34 118.70 122.75 2jys s GLU 54 Ca 0.00 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2jys s GLU 54 Cb 0.00 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.20 2jys s GLU 54 CO 0.00 0.37 -0.13 0.15 -0.54 0.00 0.00 175.26 175.11 2jys s LYS 55 N 0.10 1.74 -0.13 4.30 1.02 0.12 -4.94 119.74 121.96 2jys s LYS 55 Ca 0.06 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2jys s LYS 55 Cb -0.12 -1.43 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 2jys s LYS 55 CO 0.00 0.04 -0.14 -1.14 -0.92 0.00 0.00 175.35 173.19 2jys s GLN 56 N 0.64 3.34 0.07 1.68 0.74 -1.26 0.42 119.66 125.29 2jys s GLN 56 Ca -0.14 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.58 2jys s GLN 56 Cb -0.16 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2jys s GLN 56 CO 0.04 0.22 -0.06 -0.65 -0.55 0.00 0.00 175.29 174.29 2jys s GLN 57 N 0.32 0.69 0.59 1.67 -0.21 -0.56 -4.91 119.66 117.25 2jys s GLN 57 Ca -0.11 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.10 2jys s GLN 57 Cb -0.16 -0.17 0.01 0.00 1.00 0.00 0.00 33.01 33.69 2jys s GLN 57 CO 0.06 -0.01 0.89 -0.51 -2.12 0.00 0.00 175.29 173.60 2jys s ASP 58 N -2.52 5.54 -0.11 5.90 1.01 -1.26 -0.83 116.67 124.40 2jys s ASP 58 Ca 0.03 0.65 -0.08 0.00 0.71 0.00 0.00 52.55 53.87 2jys s ASP 58 Cb 0.00 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2jys s ASP 58 CO -0.04 -1.08 0.16 -0.69 0.21 0.00 0.00 175.17 173.73 2jys s VAL 59 N -2.98 5.47 0.09 -1.27 1.01 0.60 -4.69 120.40 118.63 2jys s VAL 59 Ca 0.54 0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.87 2jys s VAL 59 Cb -0.11 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2jys s VAL 59 CO 0.45 0.61 -0.24 -0.31 0.00 0.00 0.00 175.10 175.61 2jys s TYR 60 N -0.98 2.05 -0.34 5.22 1.51 -0.88 -1.79 117.35 122.14 2jys s TYR 60 Ca 0.15 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 55.72 2jys s TYR 60 Cb -0.12 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2jys s TYR 60 CO 0.04 0.20 0.16 -0.47 -1.11 0.00 0.00 175.55 174.38 2jys s TYR 61 N -0.98 3.22 0.29 2.71 5.04 -1.24 0.26 117.35 126.64 2jys s TYR 61 Ca 0.10 -0.93 0.10 0.00 -2.44 0.00 0.00 57.07 53.91 2jys s TYR 61 Cb -0.10 -2.37 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 2jys s TYR 61 CO 0.04 -0.60 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.06 2jys s LEU 62 N 1.54 2.92 -0.19 6.97 1.02 -0.12 -4.89 118.68 125.93 2jys s LEU 62 Ca 0.02 -0.88 0.01 0.00 0.02 0.00 0.00 54.13 53.31 2jys s LEU 62 Cb -0.18 -1.39 0.03 0.00 0.02 0.00 0.00 46.19 44.66 2jys s LEU 62 CO 0.06 -0.05 -0.16 -0.89 0.02 0.00 0.00 176.35 175.33 2jys s THR 63 N -2.44 1.94 0.04 5.49 2.01 -1.26 -2.01 115.64 119.40 2jys s THR 63 Ca 0.32 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2jys s THR 63 Cb -0.04 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2jys s THR 63 CO 0.18 0.36 -0.03 0.72 -0.69 0.00 0.00 174.62 175.17 2jys s PHE 64 N 1.30 0.43 -0.15 4.92 -0.71 -0.79 -3.84 117.98 119.15 2jys s PHE 64 Ca 0.01 -0.89 -0.18 0.00 -1.04 0.00 0.00 56.93 54.83 2jys s PHE 64 Cb -0.15 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 2jys s PHE 64 CO -0.10 -0.32 0.49 0.15 -1.34 0.00 0.00 175.22 174.09 2jys s LYS 65 N -3.14 4.28 -0.35 1.99 1.02 0.13 -0.93 119.74 122.74 2jys s LYS 65 Ca -0.00 0.43 -0.08 0.00 0.02 0.00 0.00 55.97 56.34 2jys s LYS 65 Cb 0.02 -3.48 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2jys s LYS 65 CO -0.07 0.05 0.14 0.08 -0.92 0.00 0.00 175.35 174.63 2jys s VAL 66 N 0.99 3.98 -1.24 3.17 1.01 0.21 0.22 120.40 128.75 2jys s VAL 66 Ca 0.25 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 2jys s VAL 66 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2jys s VAL 66 CO 0.10 -0.23 0.81 0.00 0.00 0.00 0.00 175.10 175.79 2jys n GLN 67 N 4.86 -5.76 -1.98 2.72 6.02 -0.37 -1.99 117.38 120.88 2jys n GLN 67 Ca -0.12 0.74 -0.03 0.00 -0.01 0.00 0.00 57.00 57.58 2jys n GLN 67 Cb 0.45 -5.40 -0.00 0.00 1.02 0.00 0.00 30.24 26.31 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 -1.64 0.27 2.79 1.08 0.00 -1.26 -5.03 105.19 101.39 2jys n GLY 68 Ca -0.04 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 0.85 0.01 1.61 0.52 -0.84 -5.10 118.95 112.01 2jys s ARG 69 Ca 0.00 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 2jys s ARG 69 Cb 0.00 -1.84 -0.08 0.00 0.52 0.00 0.00 34.95 33.56 2jys s ARG 69 CO 0.00 -0.51 1.79 0.21 0.02 0.00 0.00 175.30 176.81 2jys s LYS 70 N 1.82 4.17 -0.02 3.54 2.20 -1.26 0.67 119.74 130.85 2jys s LYS 70 Ca 0.01 2.41 -0.01 0.00 -0.36 0.00 0.00 55.97 58.02 2jys s LYS 70 Cb -0.16 -3.96 0.03 0.00 -1.51 0.00 0.00 37.83 32.23 2jys s LYS 70 CO -0.07 -0.87 0.04 0.08 -0.36 0.00 0.00 175.35 174.17 2jys s VAL 71 N 3.88 -0.05 -0.07 4.02 1.01 -0.10 -4.90 120.40 124.19 2jys s VAL 71 Ca 0.80 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.98 2jys s VAL 71 Cb -0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2jys s VAL 71 CO 0.35 0.07 -0.17 -1.61 0.00 0.00 0.00 175.10 173.74 2jys s GLU 72 N 0.87 2.67 0.00 2.72 2.02 -1.26 -1.89 118.70 123.83 2jys s GLU 72 Ca -0.07 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2jys s GLU 72 Cb -0.10 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2jys s GLU 72 CO -0.03 0.48 0.00 0.00 0.02 0.00 0.00 175.26 175.74 2jys n ALA 73 N 2.70 0.00 -1.89 5.21 0.00 -0.85 -5.00 120.51 120.69 2jys n ALA 73 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2jys n ALA 73 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.90 2.67 0.07 0.00 2.02 -1.26 -0.95 118.70 119.36 2jys s GLU 74 Ca 0.00 0.39 -0.16 0.00 0.02 0.00 0.00 54.97 55.21 2jys s GLU 74 Cb 0.00 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.25 2jys s GLU 74 CO 0.00 -1.15 0.38 0.08 0.02 0.00 0.00 175.26 174.59 2jys s VAL 75 N -3.41 0.07 0.00 2.63 1.01 0.72 -3.77 120.40 117.65 2jys s VAL 75 Ca 0.59 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2jys s VAL 75 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2jys s VAL 75 CO 0.51 -0.31 -0.19 -0.22 0.00 0.00 0.00 175.10 174.89 2jys s LEU 76 N -2.32 2.07 0.14 3.92 2.96 -0.72 -2.07 118.68 122.66 2jys s LEU 76 Ca -0.02 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 2jys s LEU 76 Cb 0.00 -0.96 -0.07 0.00 0.50 0.00 0.00 46.19 45.67 2jys s LEU 76 CO -0.06 0.21 0.94 0.00 -1.32 0.00 0.00 176.35 176.12 2jys s ALA 77 N -0.54 3.28 0.02 5.97 0.00 -1.26 -1.01 121.76 128.22 2jys s ALA 77 Ca 0.07 0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 2jys s ALA 77 Cb -0.08 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2jys s ALA 77 CO -0.00 0.04 0.11 0.45 0.00 0.00 0.00 175.76 176.36 2jys s SER 78 N -0.31 0.10 0.00 0.00 0.15 0.21 -4.79 113.70 109.06 2jys s SER 78 Ca 0.45 -0.35 0.12 0.00 0.70 0.00 0.00 55.95 56.86 2jys s SER 78 Cb -0.24 0.20 0.71 0.00 -1.71 0.00 0.00 66.02 64.99 2jys s SER 78 CO 0.30 -0.41 1.20 -0.81 1.20 0.00 0.00 173.24 174.72 2jys n PRO 79 N 1.22 0.64 -0.83 5.44 -0.04 -1.26 -2.76 135.00 137.41 2jys n PRO 79 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.96 2jys n PRO 79 Cb 0.56 -1.29 0.23 0.00 -0.04 0.00 0.00 33.50 32.96 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 1.33 -0.27 0.54 2.02 -1.26 -4.95 117.35 112.76 2jys s TYR 80 Ca 0.18 0.94 0.15 0.00 -0.37 0.00 0.00 57.07 57.97 2jys s TYR 80 Cb 0.08 -3.18 0.40 0.00 -0.40 0.00 0.00 41.96 38.86 2jys s TYR 80 CO 0.14 -3.66 1.30 -0.25 -1.57 0.00 0.00 175.55 171.51 2jys n ASP 81 N -4.72 3.24 0.00 2.29 8.00 -1.26 -4.66 116.55 119.44 2jys n ASP 81 Ca 0.06 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.76 2jys n ASP 81 Cb 0.57 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jys n TYR 82 N -0.56 0.00 -4.33 1.24 4.11 -1.26 -5.04 117.16 111.32 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 0.71 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.92 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 -0.86 1.23 -0.09 -3.48 1.01 -1.23 -3.73 121.20 114.04 2jys s ILE 83 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.50 2jys s ILE 83 Cb 0.00 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2jys s ILE 83 CO 0.00 -0.04 -0.09 -0.76 0.00 0.00 0.00 174.94 174.05 2jys s LEU 84 N -1.37 3.00 -0.09 2.97 1.02 0.38 -0.85 118.68 123.74 2jys s LEU 84 Ca 0.02 -0.14 -0.05 0.00 0.02 0.00 0.00 54.13 53.98 2jys s LEU 84 Cb -0.09 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 2jys s LEU 84 CO 0.02 0.28 0.09 -0.76 0.02 0.00 0.00 176.35 176.00 2jys s LEU 85 N -0.33 4.09 -0.06 1.79 2.01 -0.99 -1.56 118.68 123.63 2jys s LEU 85 Ca 0.04 0.33 -0.17 0.00 0.01 0.00 0.00 54.13 54.35 2jys s LEU 85 Cb -0.13 -2.03 -0.05 0.00 0.01 0.00 0.00 46.19 43.99 2jys s LEU 85 CO 0.02 0.38 0.45 0.21 1.01 0.00 0.00 176.35 178.43 2jys s ASN 86 N -1.08 6.76 0.42 2.29 2.47 -1.26 -3.30 114.94 121.24 2jys s ASN 86 Ca 0.16 0.90 0.13 0.00 0.42 0.00 0.00 52.86 54.46 2jys s ASN 86 Cb -0.12 -2.28 0.91 0.00 -1.45 0.00 0.00 41.25 38.32 2jys s ASN 86 CO 0.05 0.15 1.96 1.55 -3.72 0.00 0.00 177.10 177.09 2jys h PRO 87 N 5.78 0.09 0.00 0.43 0.13 -1.76 -1.75 132.00 134.91 2jys h PRO 87 Ca -0.46 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2jys h PRO 87 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2jys h PRO 87 CO 0.69 0.26 -0.71 0.77 -0.23 0.00 0.00 178.00 178.79 2jys h SER 88 N 0.08 0.00 1.04 1.44 0.02 -1.87 -3.08 113.55 111.18 2jys h SER 88 Ca 0.02 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 2jys h SER 88 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2jys h SER 88 CO 0.02 0.71 -0.91 0.44 -1.14 0.00 0.00 176.83 175.95 2jys h ASP 89 N 0.00 0.00 -2.55 3.07 3.32 -1.77 -3.37 116.42 115.12 2jys h ASP 89 Ca -0.01 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 2jys h ASP 89 Cb 1.28 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.41 2jys h ASP 89 CO 0.09 0.91 -0.65 1.33 -1.72 0.00 0.00 179.24 179.20 2jys n VAL 90 N -3.36 1.60 0.23 -1.35 0.24 -0.71 -4.89 118.33 110.08 2jys n VAL 90 Ca 0.00 -4.87 0.10 0.00 -2.04 0.00 0.00 64.34 57.53 2jys n VAL 90 Cb 0.89 -2.10 0.52 0.00 -1.47 0.00 0.00 33.84 31.68 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 4.75 0.00 0.00 7.34 0.13 -1.71 -2.87 132.00 139.65 2jys h PRO 91 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.17 2jys h PRO 91 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2jys h PRO 91 CO 0.73 0.22 -0.63 0.11 -0.23 0.00 0.00 178.00 178.20 2jys h TRP 92 N 0.00 0.00 -0.81 1.56 0.09 -1.90 -3.04 115.95 111.84 2jys h TRP 92 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.89 58.99 2jys h TRP 92 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.85 2jys h TRP 92 CO 0.00 0.63 0.54 -0.07 0.09 0.00 0.00 178.44 179.63 2jys h LEU 93 N 0.00 0.92 -0.99 0.11 3.38 -1.88 -1.80 115.31 115.04 2jys h LEU 93 Ca -0.01 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.12 2jys h LEU 93 Cb 1.12 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 2jys h LEU 93 CO 0.08 0.66 0.60 0.24 0.09 0.00 0.00 178.44 180.12 2jys h MET 94 N 1.08 0.78 0.00 1.13 2.86 -1.65 -3.42 114.93 115.71 2jys h MET 94 Ca 0.30 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2jys h MET 94 Cb -0.10 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.39 2jys h MET 94 CO -0.07 0.52 0.00 1.63 1.06 0.00 0.00 176.91 180.04 2jys n LYS 95 N -4.75 0.00 -2.83 1.72 5.02 -0.68 -4.75 118.16 111.90 2jys n LYS 95 Ca 0.22 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2jys n LYS 95 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.58 2jys n LYS 95 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jys n LYS 96 N 0.00 -1.66 -2.30 1.97 4.81 -1.26 -4.97 118.16 114.75 2jys n LYS 96 Ca 0.00 0.72 -0.36 0.00 -0.87 0.00 0.00 58.31 57.80 2jys n LYS 96 Cb 0.00 -4.82 -0.01 0.00 0.02 0.00 0.00 35.03 30.22 2jys n LYS 96 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jys s PRO 97 N -3.97 3.70 0.00 1.64 0.04 -1.26 -5.28 135.00 129.87 2jys s PRO 97 Ca 0.32 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2jys s PRO 97 Cb -0.04 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2jys s PRO 97 CO 0.57 -0.58 0.00 -0.11 0.04 0.00 0.00 177.00 176.92