#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn n GLY 2 N 0.00 -1.23 0.32 -5.12 0.00 -1.26 -4.98 105.19 92.91 2jsn n GLY 2 Ca 0.00 -1.11 0.18 0.00 0.00 0.00 0.00 46.02 45.10 2jsn n GLY 2 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2jsn h HIS 3 N 0.00 0.00 0.00 1.61 2.07 -2.06 -1.26 115.15 115.51 2jsn h HIS 3 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2jsn h HIS 3 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2jsn h HIS 3 CO 0.00 0.00 -0.02 1.12 -3.07 0.00 0.00 177.93 175.96 2jsn h HIS 4 N 0.00 0.00 -6.96 6.12 2.07 -1.99 -3.47 115.15 110.92 2jsn h HIS 4 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 2jsn h HIS 4 Cb 0.33 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.14 2jsn h HIS 4 CO 0.00 0.02 -0.96 0.72 -3.07 0.00 0.00 177.93 174.64 2jsn n HIS 5 N -3.48 -1.35 0.45 6.12 -0.00 -0.48 -4.85 115.22 111.65 2jsn n HIS 5 Ca -0.03 0.58 0.07 0.00 -0.00 0.00 0.00 57.72 58.34 2jsn n HIS 5 Cb 0.12 -2.97 0.29 0.00 -0.00 0.00 0.00 29.99 27.43 2jsn n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsn n HIS 6 N -4.60 0.02 -4.13 4.41 8.25 -1.26 -4.72 115.22 113.20 2jsn n HIS 6 Ca -0.30 0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.07 2jsn n HIS 6 Cb 0.68 -0.51 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 2jsn n HIS 6 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jsn s HIS 7 N -3.01 0.77 0.47 4.41 0.00 -1.26 -5.15 115.29 111.52 2jsn s HIS 7 Ca 0.06 -1.18 -0.24 0.00 -3.00 0.00 0.00 55.06 50.70 2jsn s HIS 7 Cb 0.09 -0.45 -0.07 0.00 -4.00 0.00 0.00 32.58 28.15 2jsn s HIS 7 CO 0.25 -0.49 1.31 -3.38 -1.00 0.00 0.00 174.74 171.43 2jsn s HIS 8 N -4.02 2.59 -1.43 0.38 0.00 -1.26 -4.92 115.29 106.63 2jsn s HIS 8 Ca 0.20 1.40 -0.13 0.00 -3.00 0.00 0.00 55.06 53.53 2jsn s HIS 8 Cb 0.07 -3.70 0.06 0.00 -4.00 0.00 0.00 32.58 25.02 2jsn s HIS 8 CO -0.01 -2.39 2.19 -0.11 -1.00 0.00 0.00 174.74 173.42 2jsn n LEU 9 N -0.44 6.89 -4.66 5.38 7.94 -1.26 -4.98 117.00 125.87 2jsn n LEU 9 Ca 0.07 -4.25 -0.36 0.00 -1.11 0.00 0.00 56.01 50.36 2jsn n LEU 9 Cb 0.45 -1.62 0.09 0.00 0.53 0.00 0.00 43.42 42.86 2jsn n LEU 9 CO 0.54 1.19 0.68 -0.67 -1.11 0.00 0.00 177.39 178.02 2jsn n ASP 10 N 5.58 1.07 0.05 1.96 2.03 -1.26 -4.93 116.55 121.04 2jsn n ASP 10 Ca 0.51 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.53 2jsn n ASP 10 Cb 0.38 -1.47 0.32 0.00 -0.72 0.00 0.00 41.12 39.63 2jsn n ASP 10 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jsn h SER 11 N -0.07 0.38 -3.81 1.67 0.02 -1.94 -3.45 113.55 106.35 2jsn h SER 11 Ca -0.48 -0.08 -0.51 0.00 -0.84 0.00 0.00 61.79 59.87 2jsn h SER 11 Cb 1.33 -0.10 0.04 0.00 0.14 0.00 0.00 62.40 63.81 2jsn h SER 11 CO 0.49 0.51 0.56 -0.47 -1.14 0.00 0.00 176.83 176.78 2jsn s TYR 12 N -4.79 3.33 0.02 3.45 5.04 -1.26 -4.80 117.35 118.34 2jsn s TYR 12 Ca -0.07 1.55 -0.28 0.00 -2.44 0.00 0.00 57.07 55.84 2jsn s TYR 12 Cb 0.15 -3.47 0.08 0.00 0.35 0.00 0.00 41.96 39.07 2jsn s TYR 12 CO 0.76 -1.19 0.72 0.00 -1.34 0.00 0.00 175.55 174.50 2jsn s ALA 13 N -1.07 -1.74 0.44 3.97 0.00 -1.26 -5.06 121.76 117.05 2jsn s ALA 13 Ca 0.47 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.64 2jsn s ALA 13 Cb -0.36 0.28 1.15 0.00 0.00 0.00 0.00 23.12 24.20 2jsn s ALA 13 CO 0.46 -0.55 1.87 -1.35 0.00 0.00 0.00 175.76 176.19 2jsn h PRO 14 N 2.45 0.33 -3.47 0.00 0.11 -2.04 -3.38 132.00 126.00 2jsn h PRO 14 Ca -0.28 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.56 2jsn h PRO 14 Cb 1.22 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 2jsn h PRO 14 CO 0.36 0.22 -0.66 0.50 -0.21 0.00 0.00 178.00 178.21 2jsn s ARG 15 N -5.35 0.04 0.00 1.05 3.52 -1.26 -5.05 118.95 111.90 2jsn s ARG 15 Ca -0.08 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 2jsn s ARG 15 Cb 0.22 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2jsn s ARG 15 CO 0.78 -0.11 0.85 0.00 -0.81 0.00 0.00 175.30 176.01 2jsn n ALA 16 N 3.76 1.97 -2.36 6.12 0.00 -1.26 -5.10 120.51 123.65 2jsn n ALA 16 Ca -0.22 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.35 2jsn n ALA 16 Cb 0.54 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 2jsn n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsn s GLU 17 N 0.00 1.04 0.31 0.00 8.01 -1.26 -1.01 118.70 125.78 2jsn s GLU 17 Ca 0.00 -1.36 -0.12 0.00 0.01 0.00 0.00 54.97 53.50 2jsn s GLU 17 Cb 0.00 -0.72 0.01 0.00 -4.31 0.00 0.00 34.13 29.11 2jsn s GLU 17 CO 0.00 0.11 0.59 0.00 0.01 0.00 0.00 175.26 175.97 2jsn s ALA 18 N -2.85 -0.26 -0.00 5.21 0.00 -0.13 -4.97 121.76 118.77 2jsn s ALA 18 Ca 0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 2jsn s ALA 18 Cb -0.01 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 2jsn s ALA 18 CO 0.02 -0.90 0.07 -2.00 0.00 0.00 0.00 175.76 172.95 2jsn s GLU 19 N -3.38 0.32 0.29 0.00 2.12 -1.26 -1.14 118.70 115.65 2jsn s GLU 19 Ca 0.21 -0.30 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 2jsn s GLU 19 Cb -0.02 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.50 2jsn s GLU 19 CO 0.12 -0.06 0.57 0.21 -0.54 0.00 0.00 175.26 175.56 2jsn s LYS 20 N -0.97 1.76 0.02 4.30 2.47 -0.36 -5.00 119.74 121.95 2jsn s LYS 20 Ca -0.11 -1.32 0.07 0.00 -1.56 0.00 0.00 55.97 53.06 2jsn s LYS 20 Cb -0.06 0.52 -0.02 0.00 -1.46 0.00 0.00 37.83 36.80 2jsn s LYS 20 CO 0.00 -0.76 -0.22 0.95 0.16 0.00 0.00 175.35 175.49 2jsn s THR 21 N -3.58 1.72 0.17 3.43 -4.23 -1.26 -0.94 115.64 110.94 2jsn s THR 21 Ca 0.21 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 2jsn s THR 21 Cb -0.02 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 2jsn s THR 21 CO 0.11 0.35 0.14 -0.36 -0.54 0.00 0.00 174.62 174.32 2jsn s PHE 22 N -0.66 0.87 0.32 3.99 0.08 -0.37 -5.00 117.98 117.21 2jsn s PHE 22 Ca 0.08 -1.19 -0.13 0.00 0.12 0.00 0.00 56.93 55.81 2jsn s PHE 22 Cb -0.09 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2jsn s PHE 22 CO 0.01 -0.62 0.62 -1.12 -0.10 0.00 0.00 175.22 174.01 2jsn s SER 23 N -3.07 0.12 0.14 1.36 0.01 -1.26 -1.37 113.70 109.63 2jsn s SER 23 Ca 0.28 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.50 2jsn s SER 23 Cb 0.06 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.96 2jsn s SER 23 CO 0.05 -1.38 0.00 -0.31 0.41 0.00 0.00 173.24 172.02 2jsn s TYR 24 N -3.28 1.04 -2.00 2.43 2.02 -1.26 -4.24 117.35 112.06 2jsn s TYR 24 Ca 0.20 -1.06 0.10 0.00 -0.37 0.00 0.00 57.07 55.93 2jsn s TYR 24 Cb -0.03 -0.60 0.57 0.00 -0.40 0.00 0.00 41.96 41.50 2jsn s TYR 24 CO 0.12 -0.29 1.27 -0.35 -1.57 0.00 0.00 175.55 174.73 2jsn n PRO 25 N -0.16 0.88 -1.55 -1.71 -0.04 -1.26 -4.96 135.00 126.20 2jsn n PRO 25 Ca -0.07 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 62.84 2jsn n PRO 25 Cb 0.63 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 2jsn n PRO 25 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2jsn n LEU 26 N -0.67 0.93 -4.68 1.53 7.94 -1.26 -4.78 117.00 116.01 2jsn n LEU 26 Ca 0.07 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 55.67 2jsn n LEU 26 Cb 0.03 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 2jsn n LEU 26 CO 0.05 -1.44 1.48 -0.67 -1.11 0.00 0.00 177.39 175.70 2jsn n ASP 27 N 2.08 3.89 -3.50 1.96 2.03 -1.26 -4.93 116.55 116.82 2jsn n ASP 27 Ca 0.19 0.98 -0.15 0.00 0.52 0.00 0.00 54.79 56.32 2jsn n ASP 27 Cb 0.15 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.01 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jsn s LEU 28 N 3.10 -0.59 -0.10 -2.67 2.96 -1.26 -4.98 118.68 115.14 2jsn s LEU 28 Ca 0.85 0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 55.12 2jsn s LEU 28 Cb -0.52 2.46 0.03 0.00 0.50 0.00 0.00 46.19 48.66 2jsn s LEU 28 CO 0.41 -0.69 0.26 -0.22 -1.32 0.00 0.00 176.35 174.79 2jsn s LEU 29 N -1.70 0.84 0.07 -0.68 2.96 -0.94 -4.98 118.68 114.26 2jsn s LEU 29 Ca -0.06 0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2jsn s LEU 29 Cb -0.00 0.85 -0.03 0.00 0.50 0.00 0.00 46.19 47.51 2jsn s LEU 29 CO 0.02 -0.11 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.04 2jsn s LEU 30 N 0.45 2.29 0.04 -0.68 1.02 -1.26 -0.41 118.68 120.13 2jsn s LEU 30 Ca -0.03 -0.64 -0.09 0.00 0.02 0.00 0.00 54.13 53.40 2jsn s LEU 30 Cb -0.04 -0.48 0.00 0.00 0.02 0.00 0.00 46.19 45.69 2jsn s LEU 30 CO -0.02 -0.10 0.17 -1.59 0.02 0.00 0.00 176.35 174.83 2jsn s LYS 31 N -1.85 0.66 -0.09 1.70 0.00 -0.03 -4.78 119.74 115.35 2jsn s LYS 31 Ca -0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 55.97 55.03 2jsn s LYS 31 Cb -0.09 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.99 2jsn s LYS 31 CO 0.02 -0.18 1.12 -1.17 0.00 0.00 0.00 175.35 175.14 2jsn s LEU 32 N -2.04 4.25 -0.12 2.77 2.96 -1.26 -0.43 118.68 124.81 2jsn s LEU 32 Ca -0.06 1.67 -0.20 0.00 -0.22 0.00 0.00 54.13 55.32 2jsn s LEU 32 Cb -0.02 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2jsn s LEU 32 CO -0.04 -0.55 0.51 -2.28 -1.32 0.00 0.00 176.35 172.68 2jsn s HIS 33 N 2.29 -0.50 -1.57 5.38 2.46 -0.03 -4.94 115.29 118.38 2jsn s HIS 33 Ca 0.52 1.08 -0.09 0.00 0.47 0.00 0.00 55.06 57.04 2jsn s HIS 33 Cb -0.21 0.22 0.08 0.00 -0.13 0.00 0.00 32.58 32.54 2jsn s HIS 33 CO 0.19 -0.38 0.57 -3.47 -2.47 0.00 0.00 174.74 169.17 2jsn n ASP 34 N 1.99 -1.70 0.00 9.88 2.03 -1.26 -1.52 116.55 125.97 2jsn n ASP 34 Ca -0.17 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2jsn n ASP 34 Cb 0.56 -2.78 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 2jsn n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jsn n GLU 35 N -4.41 -0.16 -4.46 -0.67 1.02 -1.26 -4.97 120.64 105.72 2jsn n GLU 35 Ca -0.12 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.82 2jsn n GLU 35 Cb 0.59 -4.30 -0.10 0.00 -0.02 0.00 0.00 31.44 27.61 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jsn s ARG 36 N -0.96 1.69 0.05 3.49 0.52 -0.58 -4.14 118.95 119.03 2jsn s ARG 36 Ca 0.00 -1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 53.17 2jsn s ARG 36 Cb 0.00 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 2jsn s ARG 36 CO 0.00 0.34 1.01 0.08 0.02 0.00 0.00 175.30 176.75 2jsn s VAL 37 N -2.44 4.57 0.17 3.52 1.01 -0.36 -0.85 120.40 126.03 2jsn s VAL 37 Ca 0.29 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.32 2jsn s VAL 37 Cb -0.05 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2jsn s VAL 37 CO 0.15 0.21 -0.20 -0.76 0.00 0.00 0.00 175.10 174.49 2jsn s LEU 38 N 0.62 2.58 -0.05 3.92 1.43 0.43 -1.05 118.68 126.56 2jsn s LEU 38 Ca 0.51 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2jsn s LEU 38 Cb -0.23 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2jsn s LEU 38 CO 0.29 0.13 1.51 -0.69 0.23 0.00 0.00 176.35 177.82 2jsn s VAL 39 N -1.55 3.71 0.00 -1.59 1.01 -0.29 -0.85 120.40 120.85 2jsn s VAL 39 Ca 0.21 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 2jsn s VAL 39 Cb -0.09 -3.62 -0.33 0.00 0.00 0.00 0.00 36.38 32.34 2jsn s VAL 39 CO 0.11 -0.06 0.89 0.00 0.00 0.00 0.00 175.10 176.04 2jsn h ALA 40 N 8.72 -0.02 -2.73 5.51 0.00 -1.03 -0.03 119.26 129.67 2jsn h ALA 40 Ca -0.37 -0.97 -0.13 0.00 0.00 0.00 0.00 54.91 53.45 2jsn h ALA 40 Cb 1.16 0.27 -0.26 0.00 0.00 0.00 0.00 17.79 18.96 2jsn h ALA 40 CO 0.94 0.84 -0.31 0.12 0.00 0.00 0.00 179.25 180.84 2jsn s PHE 41 N -2.60 -0.52 0.00 0.00 2.19 -0.42 -4.81 117.98 111.82 2jsn s PHE 41 Ca -0.11 1.16 0.00 0.00 0.33 0.00 0.00 56.93 58.31 2jsn s PHE 41 Cb 0.05 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.97 2jsn s PHE 41 CO 0.91 -0.29 0.76 0.41 1.83 0.00 0.00 175.22 178.83 2jsn n GLY 42 N 3.89 0.56 0.28 13.12 0.00 -1.26 -2.21 105.19 119.57 2jsn n GLY 42 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2jsn n GLY 42 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jsn h GLN 43 N 0.00 0.00 0.00 1.61 4.20 -1.95 -0.75 115.11 118.22 2jsn h GLN 43 Ca -0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 2jsn h GLN 43 Cb 1.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2jsn h GLN 43 CO -0.18 0.02 -0.01 0.07 -0.67 0.00 0.00 178.83 178.06 2jsn h ARG 44 N 0.00 0.00 0.10 1.46 0.11 -1.96 -2.95 114.38 111.14 2jsn h ARG 44 Ca -0.00 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.72 2jsn h ARG 44 Cb 0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 2jsn h ARG 44 CO 0.00 0.01 -1.97 -3.47 0.10 0.00 0.00 179.97 174.64 2jsn n ASP 45 N -4.41 2.08 0.00 0.08 2.03 -0.32 -5.10 116.55 110.91 2jsn n ASP 45 Ca -0.03 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2jsn n ASP 45 Cb 0.10 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2jsn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsn n GLY 46 N 1.95 -0.91 1.28 0.27 0.00 -1.00 -4.99 105.19 101.78 2jsn n GLY 46 Ca -0.34 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2jsn n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jsn n ILE 47 N 6.84 0.73 0.26 -0.61 -5.35 -1.26 -3.69 119.36 116.28 2jsn n ILE 47 Ca 0.00 -0.10 0.15 0.00 -0.27 0.00 0.00 62.75 62.53 2jsn n ILE 47 Cb 0.00 -0.96 0.87 0.00 -1.74 0.00 0.00 39.64 37.82 2jsn n ILE 47 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2jsn h ARG 48 N 1.51 0.00 -6.19 6.28 -0.00 -1.95 -3.45 114.38 110.58 2jsn h ARG 48 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.98 58.77 2jsn h ARG 48 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.55 2jsn h ARG 48 CO 0.00 0.00 0.38 0.28 0.00 0.00 0.00 179.97 180.63 2jsn n VAL 49 N -3.87 0.01 -0.09 2.04 0.31 -1.26 -1.40 118.33 114.06 2jsn n VAL 49 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2jsn n VAL 49 Cb 0.17 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jsn n GLY 50 N 2.36 2.12 3.78 2.92 0.00 -0.03 -4.96 105.19 111.39 2jsn n GLY 50 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2jsn n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jsn s HIS 51 N -2.86 3.58 0.22 1.61 4.02 -0.49 -4.74 115.29 116.62 2jsn s HIS 51 Ca 0.00 1.74 -0.21 0.00 1.02 0.00 0.00 55.06 57.61 2jsn s HIS 51 Cb 0.00 -3.03 -0.08 0.00 -1.02 0.00 0.00 32.58 28.45 2jsn s HIS 51 CO 0.00 -0.10 0.75 0.00 1.02 0.00 0.00 174.74 176.40 2jsn s ALA 52 N -1.54 3.40 0.42 -1.40 0.00 0.44 -1.13 121.76 121.95 2jsn s ALA 52 Ca 0.51 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2jsn s ALA 52 Cb -0.22 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 2jsn s ALA 52 CO 0.28 0.31 1.26 0.54 0.00 0.00 0.00 175.76 178.14 2jsn s VAL 53 N -1.47 2.77 0.00 0.00 0.11 -0.21 -1.15 120.40 120.45 2jsn s VAL 53 Ca 0.42 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2jsn s VAL 53 Cb -0.18 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2jsn s VAL 53 CO 0.22 0.07 0.00 0.18 -3.33 0.00 0.00 175.10 172.24 2jsn n LEU 54 N 0.00 0.43 -3.73 2.54 4.77 0.34 -4.81 117.00 116.54 2jsn n LEU 54 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2jsn n LEU 54 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2jsn n LEU 54 CO 0.54 0.07 0.05 0.00 -1.33 0.00 0.00 177.39 176.71 2jsn s ALA 55 N -1.60 -0.64 -0.01 -1.18 0.00 -0.47 -0.91 121.76 116.94 2jsn s ALA 55 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2jsn s ALA 55 Cb 0.00 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2jsn s ALA 55 CO 0.00 -0.55 0.01 0.42 0.00 0.00 0.00 175.76 175.65 2jsn s ILE 56 N -3.54 -0.03 -0.90 0.00 1.01 -0.30 -1.03 121.20 116.41 2jsn s ILE 56 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2jsn s ILE 56 Cb 0.02 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.45 2jsn s ILE 56 CO -0.10 0.05 0.00 0.59 0.00 0.00 0.00 174.94 175.48 2jsn n ASN 57 N 3.64 -3.24 0.00 3.58 3.02 0.07 -0.80 115.26 121.54 2jsn n ASN 57 Ca -0.20 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2jsn n ASN 57 Cb 0.55 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jsn n GLY 58 N -0.65 1.90 3.61 7.41 0.00 -1.26 -5.02 105.19 111.19 2jsn n GLY 58 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2jsn n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jsn s MET 59 N -0.46 3.85 0.11 1.61 -1.94 0.02 -5.01 119.30 117.48 2jsn s MET 59 Ca 0.00 0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 54.41 2jsn s MET 59 Cb 0.00 -3.84 -0.10 0.00 2.01 0.00 0.00 34.83 32.90 2jsn s MET 59 CO 0.00 -1.18 1.85 0.34 -0.01 0.00 0.00 175.02 176.02 2jsn s ASP 60 N 2.13 6.43 -0.08 3.03 -1.08 -1.26 -1.16 116.67 124.68 2jsn s ASP 60 Ca 0.46 2.74 -0.11 0.00 -0.52 0.00 0.00 52.55 55.12 2jsn s ASP 60 Cb -0.09 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.76 2jsn s ASP 60 CO 0.25 -1.01 0.26 0.68 0.52 0.00 0.00 175.17 175.87 2jsn s VAL 61 N 3.06 5.30 -1.19 1.11 -7.23 -0.09 -3.85 120.40 117.50 2jsn s VAL 61 Ca 0.82 0.49 -0.17 0.00 -1.81 0.00 0.00 61.98 61.31 2jsn s VAL 61 Cb -0.45 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 2jsn s VAL 61 CO 0.37 0.56 2.10 -3.20 -0.31 0.00 0.00 175.10 174.63 2jsn n ASN 62 N 2.21 3.37 0.00 4.85 5.15 0.48 -4.76 115.26 126.56 2jsn n ASN 62 Ca -0.16 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 2jsn n ASN 62 Cb 0.53 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 2jsn n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jsn n GLY 63 N 4.32 0.77 0.00 8.20 0.00 -1.26 -1.53 105.19 115.69 2jsn n GLY 63 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jsn n GLY 63 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jsn n ARG 64 N 0.00 0.00 -4.65 1.61 1.85 -1.26 -1.22 116.66 112.99 2jsn n ARG 64 Ca 0.00 -0.04 -0.25 0.00 -1.00 0.00 0.00 57.85 56.56 2jsn n ARG 64 Cb 0.00 -0.43 -0.14 0.00 -1.05 0.00 0.00 32.46 30.84 2jsn n ARG 64 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jsn s TYR 65 N 0.00 1.80 1.18 2.89 2.02 -0.58 -0.86 117.35 123.80 2jsn s TYR 65 Ca 0.00 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 2jsn s TYR 65 Cb 0.00 -1.08 0.27 0.00 -0.40 0.00 0.00 41.96 40.76 2jsn s TYR 65 CO 0.00 0.08 1.08 0.95 -1.57 0.00 0.00 175.55 176.09 2jsn s THR 66 N -0.79 1.68 0.31 -0.71 -4.23 0.16 -0.38 115.64 111.68 2jsn s THR 66 Ca 0.07 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2jsn s THR 66 Cb -0.09 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.62 2jsn s THR 66 CO 0.02 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.01 2jsn h ALA 67 N -2.53 1.53 -0.24 3.99 0.00 -1.86 -2.28 119.26 117.86 2jsn h ALA 67 Ca -0.48 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 2jsn h ALA 67 Cb 1.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jsn h ALA 67 CO 0.40 0.33 -0.55 0.22 0.00 0.00 0.00 179.25 179.65 2jsn h ASP 68 N 1.00 0.80 0.00 0.00 3.58 -1.93 -3.48 116.42 116.39 2jsn h ASP 68 Ca 0.39 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jsn h ASP 68 Cb 0.22 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2jsn h ASP 68 CO -0.15 1.19 0.00 0.61 -2.88 0.00 0.00 179.24 178.01 2jsn n GLY 69 N 0.31 0.74 3.74 -0.78 0.00 -0.86 -5.12 105.19 103.22 2jsn n GLY 69 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2jsn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsn s LYS 70 N 0.00 4.20 0.10 1.61 -0.14 -1.26 -4.54 119.74 119.72 2jsn s LYS 70 Ca 0.00 2.42 -0.31 0.00 -1.36 0.00 0.00 55.97 56.72 2jsn s LYS 70 Cb 0.00 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.98 2jsn s LYS 70 CO 0.00 -0.53 1.62 -2.00 -0.76 0.00 0.00 175.35 173.68 2jsn s GLU 71 N -0.14 4.21 0.24 1.68 2.12 -1.26 -0.66 118.70 124.88 2jsn s GLU 71 Ca 0.63 2.33 -0.05 0.00 0.36 0.00 0.00 54.97 58.24 2jsn s GLU 71 Cb -0.44 -3.45 0.39 0.00 0.26 0.00 0.00 34.13 30.88 2jsn s GLU 71 CO 0.43 -0.69 1.81 0.28 -0.54 0.00 0.00 175.26 176.55 2jsn h VAL 72 N 4.55 0.92 -0.55 3.70 2.07 -1.34 0.94 116.25 126.54 2jsn h VAL 72 Ca -0.43 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2jsn h VAL 72 Cb 1.20 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2jsn h VAL 72 CO 0.92 0.14 -0.05 -0.07 0.02 0.00 0.00 177.57 178.54 2jsn h LEU 73 N 0.79 0.99 -0.34 2.57 3.38 -1.91 -0.44 115.31 120.36 2jsn h LEU 73 Ca 0.39 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2jsn h LEU 73 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jsn h LEU 73 CO -0.24 1.08 -0.36 -0.08 0.09 0.00 0.00 178.44 178.92 2jsn h GLU 74 N 0.87 0.84 -0.52 1.13 4.81 -1.78 -0.69 114.58 119.24 2jsn h GLU 74 Ca 0.15 -0.45 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2jsn h GLU 74 Cb 0.60 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2jsn h GLU 74 CO 0.04 1.09 0.33 -0.92 -0.73 0.00 0.00 179.01 178.82 2jsn h TYR 75 N 0.63 0.62 -0.06 0.92 3.20 -0.54 -0.07 116.97 121.67 2jsn h TYR 75 Ca 0.05 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 2jsn h TYR 75 Cb 0.95 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2jsn h TYR 75 CO 0.07 0.37 -0.79 -0.07 -1.64 0.00 0.00 178.16 176.10 2jsn h LEU 76 N 0.66 0.50 -1.18 2.82 3.38 -1.10 -3.26 115.31 117.14 2jsn h LEU 76 Ca 0.20 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2jsn h LEU 76 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jsn h LEU 76 CO -0.07 1.11 -0.37 1.23 0.09 0.00 0.00 178.44 180.43 2jsn h GLY 77 N 1.27 0.08 -5.91 0.83 0.00 -0.56 -3.41 103.07 95.37 2jsn h GLY 77 Ca -0.04 -0.07 -0.56 0.00 0.00 0.00 0.00 47.33 46.66 2jsn h GLY 77 CO 0.14 0.06 1.32 -2.01 0.00 0.00 0.00 176.54 176.04 2jsn n ASN 78 N -4.09 3.83 0.16 0.19 5.15 -0.09 -4.89 115.26 115.52 2jsn n ASN 78 Ca -0.02 0.68 0.13 0.00 -0.60 0.00 0.00 54.58 54.77 2jsn n ASN 78 Cb 0.42 -1.53 0.54 0.00 -0.53 0.00 0.00 39.78 38.68 2jsn n ASN 78 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jsn h PRO 79 N 11.98 0.00 0.00 1.20 0.13 -1.90 -0.49 132.00 142.92 2jsn h PRO 79 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jsn h PRO 79 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jsn h PRO 79 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 2jsn n ALA 80 N -1.83 1.28 -2.42 -0.56 0.00 -1.26 -2.51 120.51 113.21 2jsn n ALA 80 Ca 0.02 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.60 2jsn n ALA 80 Cb 0.24 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.42 2jsn n ALA 80 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jsn n ASN 81 N -2.17 1.60 0.26 0.00 5.15 -0.22 -4.90 115.26 114.98 2jsn n ASN 81 Ca 0.00 -2.43 -0.16 0.00 -0.60 0.00 0.00 54.58 51.39 2jsn n ASN 81 Cb 0.11 -0.39 -0.08 0.00 -0.53 0.00 0.00 39.78 38.89 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2jsn h TYR 82 N 1.56 -0.59 -3.07 1.20 -1.99 -1.22 -3.43 116.97 109.42 2jsn h TYR 82 Ca -0.12 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.06 2jsn h TYR 82 Cb 1.56 0.20 0.00 0.00 2.00 0.00 0.00 36.73 40.49 2jsn h TYR 82 CO 0.41 -0.31 0.67 -1.25 -0.00 0.00 0.00 178.16 177.68 2jsn s PRO 83 N -5.58 4.36 0.16 4.88 0.04 -1.26 -4.24 135.00 133.37 2jsn s PRO 83 Ca -0.16 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 2jsn s PRO 83 Cb 0.03 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2jsn s PRO 83 CO 0.59 -0.39 0.29 0.14 0.04 0.00 0.00 177.00 177.67 2jsn s VAL 84 N 1.51 0.07 -0.04 -0.36 -7.23 -0.47 -5.01 120.40 108.87 2jsn s VAL 84 Ca 0.61 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 59.51 2jsn s VAL 84 Cb -0.31 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 2jsn s VAL 84 CO 0.28 -0.32 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.08 2jsn s SER 85 N -2.95 2.73 -0.02 4.85 0.01 -1.26 -1.24 113.70 115.82 2jsn s SER 85 Ca 0.16 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2jsn s SER 85 Cb 0.03 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.74 2jsn s SER 85 CO -0.01 0.25 -0.01 -0.63 0.41 0.00 0.00 173.24 173.24 2jsn s ILE 86 N -0.31 0.20 -0.10 1.44 1.01 -0.11 -0.75 121.20 122.58 2jsn s ILE 86 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 2jsn s ILE 86 Cb -0.11 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 2jsn s ILE 86 CO 0.01 0.11 -0.00 -0.60 0.00 0.00 0.00 174.94 174.46 2jsn s ARG 87 N 0.58 3.13 0.20 2.79 3.52 -0.20 -1.23 118.95 127.74 2jsn s ARG 87 Ca -0.06 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2jsn s ARG 87 Cb -0.09 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 2jsn s ARG 87 CO -0.01 0.61 0.26 -0.59 -0.81 0.00 0.00 175.30 174.77 2jsn s PHE 88 N -0.64 0.73 -0.03 5.12 -0.12 -0.30 -0.50 117.98 122.25 2jsn s PHE 88 Ca 0.10 -1.04 -0.12 0.00 -0.05 0.00 0.00 56.93 55.82 2jsn s PHE 88 Cb -0.12 -0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2jsn s PHE 88 CO 0.02 -0.76 0.56 0.41 -0.05 0.00 0.00 175.22 175.40 2jsn n GLY 89 N -0.28 0.36 3.75 1.99 0.00 -0.30 -0.95 105.19 109.76 2jsn n GLY 89 Ca -0.02 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 2jsn n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jsn s ARG 90 N -2.00 3.17 0.27 1.61 1.81 -0.18 -0.42 118.95 123.21 2jsn s ARG 90 Ca 0.13 2.29 -0.29 0.00 -1.72 0.00 0.00 55.73 56.14 2jsn s ARG 90 Cb -0.00 -2.30 -0.14 0.00 -0.45 0.00 0.00 34.95 32.06 2jsn s ARG 90 CO -0.01 -1.18 1.14 -2.30 -0.68 0.00 0.00 175.30 172.27 2jsn n PRO 91 N -0.95 1.54 -4.01 3.54 -0.02 -1.26 -4.75 135.00 129.08 2jsn n PRO 91 Ca 0.10 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 2jsn n PRO 91 Cb 0.44 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 2jsn n PRO 91 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jsn s ARG 92 N -1.19 0.90 0.04 -0.52 0.52 -1.26 -4.86 118.95 112.59 2jsn s ARG 92 Ca 0.62 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2jsn s ARG 92 Cb -0.70 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 2jsn s ARG 92 CO 0.57 -0.28 0.06 -0.51 0.02 0.00 0.00 175.30 175.17 2jsn s LEU 93 N -2.95 1.97 0.89 2.53 1.43 -1.26 -5.01 118.68 116.29 2jsn s LEU 93 Ca 0.14 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2jsn s LEU 93 Cb 0.06 0.50 0.13 0.00 0.03 0.00 0.00 46.19 46.91 2jsn s LEU 93 CO -0.04 -0.54 1.09 0.42 0.23 0.00 0.00 176.35 177.51 2jsn s THR 94 N -2.97 2.68 -0.19 5.49 -4.23 -1.26 -4.94 115.64 110.22 2jsn s THR 94 Ca -0.02 0.22 0.25 0.00 -1.18 0.00 0.00 61.69 60.96 2jsn s THR 94 Cb 0.01 -2.65 0.26 0.00 1.34 0.00 0.00 72.50 71.46 2jsn s THR 94 CO -0.06 -0.29 1.77 0.28 -0.54 0.00 0.00 174.62 175.78 2jsn h SER 95 N -1.57 0.00 0.00 3.99 0.02 -2.09 -3.55 113.55 110.35 2jsn h SER 95 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2jsn h SER 95 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2jsn h SER 95 CO 0.53 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 173.02