#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn s GLY 2 N 0.00 -0.22 0.00 -5.12 0.00 -1.26 -5.18 107.32 95.54 2jsn s GLY 2 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 2jsn s GLY 2 CO 0.00 4.41 0.10 0.30 0.00 0.00 0.00 173.10 177.91 2jsn s HIS 3 N -2.09 0.08 0.00 1.90 3.76 -1.26 -5.11 115.29 112.57 2jsn s HIS 3 Ca 0.26 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2jsn s HIS 3 Cb 0.01 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.63 2jsn s HIS 3 CO -0.02 -0.24 0.00 0.72 -0.85 0.00 0.00 174.74 174.35 2jsn n HIS 4 N 1.64 -1.60 -1.74 1.40 -0.00 -1.26 -4.74 115.22 108.91 2jsn n HIS 4 Ca -0.22 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.15 2jsn n HIS 4 Cb 0.56 0.21 0.06 0.00 -0.00 0.00 0.00 29.99 30.82 2jsn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jsn s HIS 5 N 0.00 2.28 0.22 4.41 5.04 -1.26 -5.06 115.29 120.92 2jsn s HIS 5 Ca 0.00 1.55 -0.06 0.00 -1.54 0.00 0.00 55.06 55.01 2jsn s HIS 5 Cb 0.00 -3.45 -0.02 0.00 0.04 0.00 0.00 32.58 29.15 2jsn s HIS 5 CO 0.00 -2.33 0.27 -1.01 -2.34 0.00 0.00 174.74 169.34 2jsn s HIS 6 N -1.84 0.81 0.22 3.88 0.09 -1.26 -5.18 115.29 112.01 2jsn s HIS 6 Ca 0.75 -1.09 0.02 0.00 -0.00 0.00 0.00 55.06 54.74 2jsn s HIS 6 Cb -0.29 -0.24 -0.05 0.00 -0.00 0.00 0.00 32.58 32.00 2jsn s HIS 6 CO 0.39 -0.78 0.03 -1.01 -0.00 0.00 0.00 174.74 173.37 2jsn s HIS 7 N -4.09 1.41 0.21 1.40 0.09 -1.26 -5.19 115.29 107.86 2jsn s HIS 7 Ca 0.31 -1.05 -0.09 0.00 -0.00 0.00 0.00 55.06 54.24 2jsn s HIS 7 Cb 0.04 -0.82 -0.01 0.00 -0.00 0.00 0.00 32.58 31.79 2jsn s HIS 7 CO 0.10 -0.21 0.33 -1.58 -0.00 0.00 0.00 174.74 173.39 2jsn s HIS 8 N -3.63 0.55 0.74 1.40 5.65 -1.26 -5.16 115.29 113.58 2jsn s HIS 8 Ca 0.30 -0.88 -0.13 0.00 0.25 0.00 0.00 55.06 54.60 2jsn s HIS 8 Cb 0.07 -0.06 0.04 0.00 -1.18 0.00 0.00 32.58 31.45 2jsn s HIS 8 CO 0.08 -0.82 1.12 -0.51 -0.65 0.00 0.00 174.74 173.96 2jsn s LEU 9 N -3.03 3.18 0.00 8.88 1.43 -1.26 -4.33 118.68 123.55 2jsn s LEU 9 Ca 0.24 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2jsn s LEU 9 Cb 0.02 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2jsn s LEU 9 CO 0.06 -2.04 0.00 -0.67 0.23 0.00 0.00 176.35 173.93 2jsn n ASP 10 N -3.10 0.00 0.26 2.29 2.03 -1.26 -4.72 116.55 112.06 2jsn n ASP 10 Ca 0.10 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.52 2jsn n ASP 10 Cb 0.52 -0.62 0.71 0.00 -0.72 0.00 0.00 41.12 41.01 2jsn n ASP 10 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jsn h SER 11 N 0.00 0.00 0.88 1.67 4.64 -2.00 -1.20 113.55 117.54 2jsn h SER 11 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2jsn h SER 11 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jsn h SER 11 CO 0.00 0.06 -0.82 0.10 -0.87 0.00 0.00 176.83 175.30 2jsn h TYR 12 N 0.00 0.00 -0.95 4.77 -0.00 -1.85 -3.40 116.97 115.54 2jsn h TYR 12 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.73 58.88 2jsn h TYR 12 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 36.76 2jsn h TYR 12 CO 0.00 0.82 0.56 0.00 -0.00 0.00 0.00 178.16 179.54 2jsn h ALA 13 N 1.18 1.49 -0.78 0.10 0.00 -1.18 -0.48 119.26 119.59 2jsn h ALA 13 Ca -0.01 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2jsn h ALA 13 Cb 1.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2jsn h ALA 13 CO 0.11 0.02 0.52 -1.35 0.00 0.00 0.00 179.25 178.55 2jsn h PRO 14 N 0.79 0.41 0.02 0.00 0.11 -1.77 -3.15 132.00 128.42 2jsn h PRO 14 Ca 0.51 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 66.25 2jsn h PRO 14 Cb 0.69 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 2jsn h PRO 14 CO -0.34 0.27 -1.98 -2.13 -0.21 0.00 0.00 178.00 173.62 2jsn n ARG 15 N -4.48 0.61 -3.70 1.05 0.63 -0.38 -4.91 116.66 105.48 2jsn n ARG 15 Ca 0.15 0.37 -0.15 0.00 -0.92 0.00 0.00 57.85 57.29 2jsn n ARG 15 Cb 0.55 -1.62 -0.15 0.00 0.45 0.00 0.00 32.46 31.68 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jsn s ALA 16 N -2.46 -0.22 0.34 5.13 0.00 -0.33 -4.15 121.76 120.07 2jsn s ALA 16 Ca -0.32 0.62 0.16 0.00 0.00 0.00 0.00 51.96 52.42 2jsn s ALA 16 Cb 0.10 -0.70 0.80 0.00 0.00 0.00 0.00 23.12 23.32 2jsn s ALA 16 CO 0.59 -0.42 1.83 1.05 0.00 0.00 0.00 175.76 178.81 2jsn h GLU 17 N 7.95 0.00 -2.81 0.00 4.11 -1.52 -3.16 114.58 119.15 2jsn h GLU 17 Ca -0.24 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.28 2jsn h GLU 17 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2jsn h GLU 17 CO 0.24 0.35 0.32 0.00 0.07 0.00 0.00 179.01 179.99 2jsn s ALA 18 N -4.06 -1.29 -0.01 1.06 0.00 -1.26 -4.75 121.76 111.45 2jsn s ALA 18 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2jsn s ALA 18 Cb 0.14 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2jsn s ALA 18 CO 0.70 -1.04 -0.04 -2.00 0.00 0.00 0.00 175.76 173.39 2jsn s GLU 19 N -3.49 0.40 0.02 0.00 2.12 -1.26 -3.20 118.70 113.29 2jsn s GLU 19 Ca 0.12 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 2jsn s GLU 19 Cb -0.05 -0.43 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 2jsn s GLU 19 CO 0.06 0.03 0.01 0.15 -0.54 0.00 0.00 175.26 174.97 2jsn s LYS 20 N 0.23 0.35 0.26 4.30 1.02 -0.36 -4.96 119.74 120.57 2jsn s LYS 20 Ca -0.02 -0.55 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2jsn s LYS 20 Cb -0.06 0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 2jsn s LYS 20 CO -0.00 -0.06 0.86 0.99 -0.92 0.00 0.00 175.35 176.21 2jsn s THR 21 N -1.42 4.32 0.19 2.17 2.01 -1.26 -1.02 115.64 120.63 2jsn s THR 21 Ca -0.15 1.69 -0.05 0.00 0.31 0.00 0.00 61.69 63.49 2jsn s THR 21 Cb -0.09 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2jsn s THR 21 CO -0.00 0.26 0.21 -0.36 -0.69 0.00 0.00 174.62 174.04 2jsn s PHE 22 N -1.47 0.82 0.28 4.92 0.40 0.18 -4.96 117.98 118.16 2jsn s PHE 22 Ca 0.45 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 2jsn s PHE 22 Cb -0.20 -0.31 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 2jsn s PHE 22 CO 0.24 -0.71 0.29 -1.12 0.70 0.00 0.00 175.22 174.62 2jsn s SER 23 N -3.08 0.87 0.12 1.36 0.01 -1.26 -1.14 113.70 110.57 2jsn s SER 23 Ca 0.30 -1.51 0.03 0.00 1.31 0.00 0.00 55.95 56.07 2jsn s SER 23 Cb 0.05 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2jsn s SER 23 CO 0.08 -1.04 -0.08 -0.31 0.41 0.00 0.00 173.24 172.29 2jsn s TYR 24 N -3.65 1.05 0.78 2.43 2.02 -1.26 -4.38 117.35 114.34 2jsn s TYR 24 Ca 0.37 -0.84 -0.15 0.00 -0.37 0.00 0.00 57.07 56.08 2jsn s TYR 24 Cb 0.03 -0.57 0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2jsn s TYR 24 CO 0.19 -0.05 0.94 -2.30 -1.57 0.00 0.00 175.55 172.77 2jsn n PRO 25 N -0.07 0.26 -3.65 -1.71 -0.02 -1.26 -5.04 135.00 123.51 2jsn n PRO 25 Ca -0.12 0.15 -0.12 0.00 -2.02 0.00 0.00 63.50 61.39 2jsn n PRO 25 Cb 0.61 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2jsn n PRO 25 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jsn s LEU 26 N -3.52 0.36 0.37 2.45 1.98 -1.26 -5.06 118.68 114.00 2jsn s LEU 26 Ca 0.70 -0.08 0.12 0.00 -2.89 0.00 0.00 54.13 51.98 2jsn s LEU 26 Cb -0.31 1.80 0.70 0.00 0.66 0.00 0.00 46.19 49.05 2jsn s LEU 26 CO 0.53 -0.73 1.82 -0.78 -1.89 0.00 0.00 176.35 175.31 2jsn h ASP 27 N 2.79 0.04 -3.05 3.68 3.58 -1.96 -3.43 116.42 118.08 2jsn h ASP 27 Ca -0.32 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.58 2jsn h ASP 27 Cb 1.22 -0.01 0.08 0.00 1.72 0.00 0.00 39.33 42.34 2jsn h ASP 27 CO 0.44 0.40 0.88 -0.11 -2.88 0.00 0.00 179.24 177.97 2jsn n LEU 28 N -4.11 4.11 -3.89 2.28 7.94 -1.26 -4.64 117.00 117.43 2jsn n LEU 28 Ca -0.02 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.89 2jsn n LEU 28 Cb 0.40 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.65 2jsn n LEU 28 CO 0.39 0.08 -0.35 -0.22 -1.11 0.00 0.00 177.39 176.17 2jsn s LEU 29 N -0.02 2.03 0.15 -1.96 2.96 -0.08 -5.00 118.68 116.76 2jsn s LEU 29 Ca 0.67 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.57 2jsn s LEU 29 Cb -0.52 0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 2jsn s LEU 29 CO 0.45 -0.06 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.50 2jsn s LEU 30 N -0.29 2.43 0.03 -0.68 1.02 -1.26 -0.33 118.68 119.61 2jsn s LEU 30 Ca -0.03 -0.85 -0.01 0.00 0.02 0.00 0.00 54.13 53.25 2jsn s LEU 30 Cb -0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 46.19 45.48 2jsn s LEU 30 CO -0.00 -0.10 -0.00 -1.59 0.02 0.00 0.00 176.35 174.68 2jsn s LYS 31 N -2.82 0.41 -0.01 1.70 0.00 0.04 -4.71 119.74 114.34 2jsn s LYS 31 Ca 0.13 -0.73 -0.30 0.00 0.00 0.00 0.00 55.97 55.07 2jsn s LYS 31 Cb -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 37.83 37.90 2jsn s LYS 31 CO 0.05 -0.08 1.06 -1.17 0.00 0.00 0.00 175.35 175.21 2jsn s LEU 32 N -1.81 4.34 -0.16 2.77 0.20 -1.26 -0.96 118.68 121.80 2jsn s LEU 32 Ca -0.10 1.74 -0.14 0.00 0.69 0.00 0.00 54.13 56.32 2jsn s LEU 32 Cb -0.05 -3.57 0.04 0.00 -0.43 0.00 0.00 46.19 42.18 2jsn s LEU 32 CO -0.03 -0.38 0.42 -2.28 -0.29 0.00 0.00 176.35 173.79 2jsn s HIS 33 N 1.32 -0.49 -1.45 5.38 2.46 -0.10 -4.94 115.29 117.47 2jsn s HIS 33 Ca 0.53 1.16 -0.01 0.00 0.47 0.00 0.00 55.06 57.21 2jsn s HIS 33 Cb -0.23 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2jsn s HIS 33 CO 0.26 -0.24 0.26 -3.47 -2.47 0.00 0.00 174.74 169.08 2jsn n ASP 34 N 3.10 -0.01 -0.97 9.88 2.03 -1.26 -1.11 116.55 128.21 2jsn n ASP 34 Ca -0.15 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 53.93 2jsn n ASP 34 Cb 0.57 -2.44 -0.05 0.00 -0.72 0.00 0.00 41.12 38.48 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 -4.49 -1.60 -1.94 -0.67 -0.58 -1.26 -4.92 120.64 105.18 2jsn n GLU 35 Ca -0.31 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 2jsn n GLU 35 Cb 0.69 -5.07 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 2jsn n GLU 35 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jsn n ARG 36 N -1.09 1.40 -4.38 3.49 1.74 -0.27 -0.93 116.66 116.63 2jsn n ARG 36 Ca -0.11 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.77 2jsn n ARG 36 Cb 0.51 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.80 2jsn n ARG 36 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jsn s VAL 37 N -1.27 0.77 0.15 1.55 1.01 -1.26 -0.92 120.40 120.43 2jsn s VAL 37 Ca 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2jsn s VAL 37 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2jsn s VAL 37 CO 0.00 0.24 -0.15 -0.76 0.00 0.00 0.00 175.10 174.42 2jsn s LEU 38 N 0.13 2.45 0.01 3.92 1.43 -0.14 -2.42 118.68 124.06 2jsn s LEU 38 Ca -0.02 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 2jsn s LEU 38 Cb -0.08 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.41 2jsn s LEU 38 CO 0.00 -0.12 1.68 -0.69 0.23 0.00 0.00 176.35 177.45 2jsn s VAL 39 N -2.35 3.30 -0.03 -1.59 1.01 0.29 -0.78 120.40 120.25 2jsn s VAL 39 Ca 0.14 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 2jsn s VAL 39 Cb -0.04 -3.36 -0.30 0.00 0.00 0.00 0.00 36.38 32.69 2jsn s VAL 39 CO 0.05 -0.03 0.74 0.00 0.00 0.00 0.00 175.10 175.86 2jsn h ALA 40 N 9.08 0.20 -2.21 5.51 0.00 -0.96 -0.87 119.26 130.01 2jsn h ALA 40 Ca -0.42 -1.13 -0.06 0.00 0.00 0.00 0.00 54.91 53.30 2jsn h ALA 40 Cb 1.19 0.39 -0.22 0.00 0.00 0.00 0.00 17.79 19.16 2jsn h ALA 40 CO 0.94 1.06 0.01 0.12 0.00 0.00 0.00 179.25 181.39 2jsn s PHE 41 N -2.59 -0.72 0.00 0.00 2.19 -0.87 -4.83 117.98 111.16 2jsn s PHE 41 Ca -0.13 1.71 0.00 0.00 0.33 0.00 0.00 56.93 58.84 2jsn s PHE 41 Cb 0.06 0.27 0.00 0.00 -1.31 0.00 0.00 43.02 42.04 2jsn s PHE 41 CO 0.86 -0.35 0.00 0.41 1.83 0.00 0.00 175.22 177.97 2jsn n GLY 42 N 2.93 0.00 3.65 13.12 0.00 -1.26 -0.90 105.19 122.72 2jsn n GLY 42 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 2jsn n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jsn n GLN 43 N 0.00 2.37 -3.59 1.61 3.00 -1.26 -4.62 117.38 114.89 2jsn n GLN 43 Ca 0.00 0.83 -0.03 0.00 -0.01 0.00 0.00 57.00 57.80 2jsn n GLN 43 Cb 0.00 -2.88 -0.05 0.00 0.00 0.00 0.00 30.24 27.31 2jsn n GLN 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2jsn s ARG 44 N 4.73 0.51 0.00 -1.09 6.06 -1.26 -4.88 118.95 123.02 2jsn s ARG 44 Ca 0.94 1.28 0.00 0.00 -2.50 0.00 0.00 55.73 55.44 2jsn s ARG 44 Cb -0.54 0.67 0.00 0.00 0.06 0.00 0.00 34.95 35.14 2jsn s ARG 44 CO 0.45 -0.27 0.00 -3.47 -2.50 0.00 0.00 175.30 169.51 2jsn n ASP 45 N 5.43 0.00 -3.44 -2.12 2.03 -1.26 -4.75 116.55 112.44 2jsn n ASP 45 Ca -0.10 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.16 2jsn n ASP 45 Cb 0.49 -0.19 0.01 0.00 -0.72 0.00 0.00 41.12 40.71 2jsn n ASP 45 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jsn s GLY 46 N -0.48 0.04 0.52 0.27 0.00 -1.26 -5.16 107.32 101.25 2jsn s GLY 46 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 44.72 44.22 2jsn s GLY 46 CO 0.00 0.73 1.21 -0.26 0.00 0.00 0.00 173.10 174.78 2jsn s ILE 47 N -2.76 2.81 0.00 0.90 -5.25 -1.26 -4.49 121.20 111.15 2jsn s ILE 47 Ca 0.16 0.57 0.00 0.00 -0.99 0.00 0.00 60.65 60.39 2jsn s ILE 47 Cb -0.03 -3.27 0.00 0.00 2.95 0.00 0.00 42.46 42.11 2jsn s ILE 47 CO 0.06 -0.04 0.02 0.54 -1.79 0.00 0.00 174.94 173.73 2jsn n ARG 48 N -0.94 0.98 -1.66 0.37 1.74 -1.26 -4.88 116.66 111.01 2jsn n ARG 48 Ca 0.10 -0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.71 2jsn n ARG 48 Cb 0.48 -0.22 -0.02 0.00 -1.02 0.00 0.00 32.46 31.68 2jsn n ARG 48 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jsn n VAL 49 N -0.15 1.20 -0.18 1.55 0.31 -1.26 -1.89 118.33 117.91 2jsn n VAL 49 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2jsn n VAL 49 Cb 0.05 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 1.84 1.94 3.79 2.92 0.00 -0.33 -4.96 105.19 110.39 2jsn n GLY 50 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.94 2.83 -0.04 1.61 4.02 -0.79 -4.71 115.29 115.27 2jsn s HIS 51 Ca 0.00 1.50 0.03 0.00 1.02 0.00 0.00 55.06 57.61 2jsn s HIS 51 Cb 0.00 -2.99 -0.03 0.00 -1.02 0.00 0.00 32.58 28.54 2jsn s HIS 51 CO 0.00 -1.50 -0.12 0.00 1.02 0.00 0.00 174.74 174.14 2jsn s ALA 52 N -2.85 2.79 0.11 -1.40 0.00 0.00 -0.54 121.76 119.87 2jsn s ALA 52 Ca 0.61 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2jsn s ALA 52 Cb -0.16 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 2jsn s ALA 52 CO 0.52 0.57 0.99 0.54 0.00 0.00 0.00 175.76 178.38 2jsn s VAL 53 N -0.81 4.42 0.00 0.00 0.11 -1.02 -1.36 120.40 121.74 2jsn s VAL 53 Ca 0.13 1.98 0.00 0.00 -2.93 0.00 0.00 61.98 61.16 2jsn s VAL 53 Cb -0.11 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.48 2jsn s VAL 53 CO 0.02 0.29 0.00 0.18 -3.33 0.00 0.00 175.10 172.26 2jsn n LEU 54 N 2.85 0.00 -3.90 2.54 4.77 0.26 -4.72 117.00 118.80 2jsn n LEU 54 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2jsn n LEU 54 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2jsn n LEU 54 CO 0.52 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.39 2jsn s ALA 55 N -1.79 -0.17 -0.01 -1.18 0.00 -0.63 -1.46 121.76 116.52 2jsn s ALA 55 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2jsn s ALA 55 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2jsn s ALA 55 CO 0.00 -0.30 -0.04 0.42 0.00 0.00 0.00 175.76 175.84 2jsn s ILE 56 N -2.35 0.33 -1.00 0.00 1.01 -0.43 -0.85 121.20 117.92 2jsn s ILE 56 Ca -0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2jsn s ILE 56 Cb -0.03 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 42.19 2jsn s ILE 56 CO -0.03 0.12 0.28 0.59 0.00 0.00 0.00 174.94 175.90 2jsn n ASN 57 N 3.28 -2.93 0.00 3.58 3.02 0.15 -0.83 115.26 121.53 2jsn n ASN 57 Ca -0.17 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2jsn n ASN 57 Cb 0.56 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -0.92 0.59 3.13 7.41 0.00 -1.26 -5.01 105.19 109.12 2jsn n GLY 58 Ca -0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.38 2.97 0.03 1.61 -1.94 -0.01 -5.10 119.30 116.48 2jsn s MET 59 Ca 0.00 -0.83 -0.34 0.00 -1.71 0.00 0.00 55.69 52.82 2jsn s MET 59 Cb 0.00 -2.50 -0.12 0.00 2.01 0.00 0.00 34.83 34.21 2jsn s MET 59 CO 0.00 -0.14 1.77 -3.47 -0.01 0.00 0.00 175.02 173.16 2jsn n ASP 60 N 4.43 3.39 -4.76 3.03 2.03 -1.26 -1.31 116.55 122.10 2jsn n ASP 60 Ca -0.21 1.01 -0.40 0.00 0.52 0.00 0.00 54.79 55.72 2jsn n ASP 60 Cb 0.51 -1.41 -0.04 0.00 -0.72 0.00 0.00 41.12 39.45 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jsn s VAL 61 N 2.78 3.39 -1.59 5.18 -7.23 -0.54 -4.08 120.40 118.31 2jsn s VAL 61 Ca 0.86 1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 62.28 2jsn s VAL 61 Cb -0.66 -3.84 -0.07 0.00 0.56 0.00 0.00 36.38 32.37 2jsn s VAL 61 CO 0.45 0.29 2.84 -3.20 -0.31 0.00 0.00 175.10 175.17 2jsn n ASN 62 N 0.95 7.95 0.00 4.85 5.15 0.88 -4.68 115.26 130.36 2jsn n ASN 62 Ca -0.00 -2.61 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 2jsn n ASN 62 Cb 0.45 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 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 3.67 1.95 0.09 8.20 0.00 -1.09 -1.41 105.19 116.59 2jsn n GLY 63 Ca 0.74 0.38 0.11 0.00 0.00 0.00 0.00 46.02 47.25 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 2.94 0.15 -4.24 1.61 1.85 -0.11 -4.43 116.66 114.43 2jsn n ARG 64 Ca 0.00 0.32 -0.26 0.00 -1.00 0.00 0.00 57.85 56.91 2jsn n ARG 64 Cb 0.00 -1.75 -0.08 0.00 -1.05 0.00 0.00 32.46 29.58 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 -3.18 2.77 1.10 2.89 2.02 -0.50 -0.70 117.35 121.75 2jsn s TYR 65 Ca 0.07 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 2jsn s TYR 65 Cb 0.11 -1.33 0.24 0.00 -0.40 0.00 0.00 41.96 40.58 2jsn s TYR 65 CO 0.41 0.53 1.14 0.95 -1.57 0.00 0.00 175.55 177.01 2jsn s THR 66 N -1.81 1.78 0.29 -0.71 -4.23 0.57 -0.09 115.64 111.44 2jsn s THR 66 Ca 0.27 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 2jsn s THR 66 Cb -0.09 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.42 2jsn s THR 66 CO 0.18 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.20 2jsn h ALA 67 N -2.19 1.42 -0.13 3.99 0.00 -1.88 -2.82 119.26 117.65 2jsn h ALA 67 Ca -0.47 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2jsn h ALA 67 Cb 1.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jsn h ALA 67 CO 0.43 0.51 -0.67 0.22 0.00 0.00 0.00 179.25 179.73 2jsn h ASP 68 N 1.14 0.62 0.00 0.00 3.58 -1.94 -3.48 116.42 116.33 2jsn h ASP 68 Ca 0.34 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2jsn h ASP 68 Cb -0.03 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2jsn h ASP 68 CO -0.09 1.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 2jsn n GLY 69 N 0.47 0.37 3.76 -0.78 0.00 -1.06 -5.13 105.19 102.81 2jsn n GLY 69 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 3.43 0.16 1.61 3.01 -1.26 -4.57 119.74 122.12 2jsn s LYS 70 Ca 0.00 1.83 -0.31 0.00 -1.01 0.00 0.00 55.97 56.48 2jsn s LYS 70 Cb 0.00 -2.21 -0.09 0.00 -1.01 0.00 0.00 37.83 34.51 2jsn s LYS 70 CO 0.00 -0.84 1.48 -2.00 0.51 0.00 0.00 175.35 174.50 2jsn s GLU 71 N -2.96 4.27 0.26 1.68 2.12 -1.26 -0.32 118.70 122.48 2jsn s GLU 71 Ca 0.69 2.24 -0.01 0.00 0.36 0.00 0.00 54.97 58.25 2jsn s GLU 71 Cb -0.30 -3.18 0.49 0.00 0.26 0.00 0.00 34.13 31.40 2jsn s GLU 71 CO 0.35 -0.51 1.80 0.28 -0.54 0.00 0.00 175.26 176.64 2jsn h VAL 72 N 4.01 0.85 -0.55 3.70 2.07 -1.22 0.81 116.25 125.92 2jsn h VAL 72 Ca -0.43 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 2jsn h VAL 72 Cb 1.21 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2jsn h VAL 72 CO 0.87 0.14 -0.09 -0.07 0.02 0.00 0.00 177.57 178.44 2jsn h LEU 73 N 0.79 1.02 -0.40 2.57 3.38 -1.91 -0.25 115.31 120.51 2jsn h LEU 73 Ca 0.45 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 2jsn h LEU 73 Cb 0.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jsn h LEU 73 CO -0.29 1.12 -0.57 -0.33 0.09 0.00 0.00 178.44 178.46 2jsn h GLU 74 N 0.91 0.70 0.36 1.13 5.08 -1.64 -0.39 114.58 120.73 2jsn h GLU 74 Ca 0.15 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2jsn h GLU 74 Cb 0.66 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jsn h GLU 74 CO 0.05 1.07 -0.17 -0.92 -1.00 0.00 0.00 179.01 178.04 2jsn h TYR 75 N 0.53 -0.45 -0.15 4.33 3.20 -0.66 -2.02 116.97 121.74 2jsn h TYR 75 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2jsn h TYR 75 Cb 1.15 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 2jsn h TYR 75 CO 0.06 -0.25 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.02 2jsn h LEU 76 N -0.54 0.27 0.00 2.82 3.38 -1.07 -2.63 115.31 117.54 2jsn h LEU 76 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jsn h LEU 76 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jsn h LEU 76 CO 0.08 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2jsn n GLY 77 N -0.58 -1.16 3.59 0.83 0.00 -0.16 -4.72 105.19 102.99 2jsn n GLY 77 Ca -0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2jsn n GLY 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jsn s ASN 78 N -2.97 6.64 0.34 1.61 2.47 -0.78 -4.94 114.94 117.30 2jsn s ASN 78 Ca 0.10 0.46 0.26 0.00 0.42 0.00 0.00 52.86 54.11 2jsn s ASN 78 Cb 0.13 -2.48 1.01 0.00 -1.45 0.00 0.00 41.25 38.46 2jsn s ASN 78 CO 0.36 -0.99 1.78 1.55 -3.72 0.00 0.00 177.10 176.08 2jsn h PRO 79 N 8.75 0.00 0.00 0.43 0.13 -1.89 -1.51 132.00 137.91 2jsn h PRO 79 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jsn h PRO 79 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jsn h PRO 79 CO 1.02 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 2jsn n ALA 80 N -1.87 1.22 -2.35 -0.56 0.00 -1.26 -2.37 120.51 113.32 2jsn n ALA 80 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2jsn n ALA 80 Cb 0.30 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.63 2jsn n ALA 80 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jsn n ASN 81 N -1.80 1.27 -0.35 0.00 6.94 -0.58 -4.94 115.26 115.80 2jsn n ASN 81 Ca 0.01 -2.40 0.08 0.00 -0.02 0.00 0.00 54.58 52.25 2jsn n ASN 81 Cb 0.07 -0.36 0.25 0.00 -2.36 0.00 0.00 39.78 37.38 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 2jsn h TYR 82 N 1.17 1.06 -2.74 -2.53 -1.99 -1.33 -3.39 116.97 107.22 2jsn h TYR 82 Ca -0.17 0.03 -0.55 0.00 2.00 0.00 0.00 58.73 60.05 2jsn h TYR 82 Cb 1.67 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 2jsn h TYR 82 CO 0.33 0.36 0.98 -1.25 -0.00 0.00 0.00 178.16 178.58 2jsn s PRO 83 N -5.94 4.22 0.22 4.88 0.04 -1.26 -4.21 135.00 132.94 2jsn s PRO 83 Ca -0.12 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2jsn s PRO 83 Cb 0.23 -3.79 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2jsn s PRO 83 CO 0.80 -0.74 0.28 0.14 0.04 0.00 0.00 177.00 177.52 2jsn s VAL 84 N 3.34 0.01 -0.03 -0.36 -7.23 -0.29 -5.01 120.40 110.82 2jsn s VAL 84 Ca 0.69 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2jsn s VAL 84 Cb -0.32 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2jsn s VAL 84 CO 0.27 -0.03 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.42 2jsn s SER 85 N -3.09 2.12 -0.00 4.85 0.01 -1.26 -0.64 113.70 115.68 2jsn s SER 85 Ca 0.31 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.28 2jsn s SER 85 Cb 0.04 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2jsn s SER 85 CO 0.10 0.19 -0.15 -0.63 0.41 0.00 0.00 173.24 173.17 2jsn s ILE 86 N -0.23 1.15 -0.07 1.44 -1.09 -0.19 -0.67 121.20 121.54 2jsn s ILE 86 Ca 0.03 -0.68 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 2jsn s ILE 86 Cb -0.09 -0.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.84 2jsn s ILE 86 CO 0.00 0.28 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.31 2jsn s ARG 87 N -0.45 1.48 0.12 2.79 3.52 -0.03 -1.23 118.95 125.15 2jsn s ARG 87 Ca 0.05 -0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.29 2jsn s ARG 87 Cb -0.06 -1.35 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 2jsn s ARG 87 CO -0.00 -0.08 0.16 -0.59 -0.81 0.00 0.00 175.30 173.98 2jsn s PHE 88 N 1.02 0.47 0.01 5.12 -0.12 -1.19 -0.57 117.98 122.70 2jsn s PHE 88 Ca -0.08 -0.88 -0.02 0.00 -0.05 0.00 0.00 56.93 55.90 2jsn s PHE 88 Cb -0.15 -0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.05 2jsn s PHE 88 CO -0.00 -0.58 0.11 0.41 -0.05 0.00 0.00 175.22 175.10 2jsn n GLY 89 N -0.10 0.92 3.77 1.99 0.00 -0.46 -2.13 105.19 109.17 2jsn n GLY 89 Ca -0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2jsn n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsn n ARG 90 N -0.08 2.52 -1.63 1.61 3.00 -1.26 -0.82 116.66 120.01 2jsn n ARG 90 Ca 0.00 0.89 -0.38 0.00 -0.01 0.00 0.00 57.85 58.35 2jsn n ARG 90 Cb 0.05 -2.64 0.05 0.00 0.00 0.00 0.00 32.46 29.93 2jsn n ARG 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2jsn n PRO 91 N 0.27 1.03 -4.01 5.56 -0.04 -1.26 -4.76 135.00 131.79 2jsn n PRO 91 Ca 0.03 0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2jsn n PRO 91 Cb 0.39 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 2jsn n PRO 91 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jsn s ARG 92 N -2.70 1.71 0.61 0.54 6.06 -1.26 -5.04 118.95 118.86 2jsn s ARG 92 Ca 0.74 -1.41 -0.18 0.00 -2.50 0.00 0.00 55.73 52.38 2jsn s ARG 92 Cb -0.43 0.47 -0.03 0.00 0.06 0.00 0.00 34.95 35.03 2jsn s ARG 92 CO 0.48 -0.72 1.19 -1.17 -2.50 0.00 0.00 175.30 172.58 2jsn s LEU 93 N -3.08 3.61 0.00 -0.88 2.96 -1.26 -4.98 118.68 115.04 2jsn s LEU 93 Ca 0.24 2.31 0.19 0.00 -0.22 0.00 0.00 54.13 56.65 2jsn s LEU 93 Cb -0.01 -4.59 0.31 0.00 0.50 0.00 0.00 46.19 42.40 2jsn s LEU 93 CO 0.12 -1.62 1.12 0.35 -1.32 0.00 0.00 176.35 175.00 2jsn n THR 94 N -1.77 0.00 -3.83 3.68 -2.24 -1.26 -5.05 114.28 103.80 2jsn n THR 94 Ca 0.13 -0.73 -0.08 0.00 -2.27 0.00 0.00 64.05 61.11 2jsn n THR 94 Cb 0.50 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2jsn n THR 94 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jsn s SER 95 N -1.71 -0.12 0.00 3.42 1.04 -1.26 -2.69 113.70 112.38 2jsn s SER 95 Ca 0.25 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2jsn s SER 95 Cb 0.28 0.78 0.00 0.00 0.10 0.00 0.00 66.02 67.18 2jsn s SER 95 CO -0.12 -1.50 0.00 -3.20 0.98 0.00 0.00 173.24 169.40