#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn h GLY 2 N 0.00 0.00 -3.13 3.03 0.00 -2.00 -3.44 103.07 97.53 2jsn h GLY 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2jsn h GLY 2 CO 0.00 0.00 -0.38 -2.38 0.00 0.00 0.00 176.54 173.78 2jsn s HIS 3 N -3.79 0.18 -0.00 5.60 -0.00 -1.26 -5.06 115.29 110.95 2jsn s HIS 3 Ca -0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 55.06 54.44 2jsn s HIS 3 Cb 0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 32.58 32.61 2jsn s HIS 3 CO 0.52 -0.55 1.38 0.72 -0.00 0.00 0.00 174.74 176.81 2jsn n HIS 4 N -0.07 0.01 -3.97 0.38 -0.00 -1.26 -4.77 115.22 105.55 2jsn n HIS 4 Ca -0.14 -0.70 -0.08 0.00 -0.00 0.00 0.00 57.72 56.80 2jsn n HIS 4 Cb 0.62 -0.35 -0.08 0.00 -0.00 0.00 0.00 29.99 30.18 2jsn n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 5 N -0.02 0.33 0.45 4.41 4.02 -1.26 -5.06 115.29 118.17 2jsn s HIS 5 Ca 0.00 -0.81 0.18 0.00 1.02 0.00 0.00 55.06 55.45 2jsn s HIS 5 Cb 0.00 -0.21 1.16 0.00 -1.02 0.00 0.00 32.58 32.51 2jsn s HIS 5 CO 0.00 -0.47 2.03 0.45 1.02 0.00 0.00 174.74 177.77 2jsn h HIS 6 N 2.92 0.00 -3.26 1.40 3.86 -1.98 -3.45 115.15 114.64 2jsn h HIS 6 Ca -0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2jsn h HIS 6 Cb 1.17 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.59 2jsn h HIS 6 CO 0.47 0.15 0.10 -3.38 0.86 0.00 0.00 177.93 176.14 2jsn s HIS 7 N -4.57 0.10 1.02 2.45 0.00 -1.26 -5.13 115.29 107.90 2jsn s HIS 7 Ca -0.04 -0.54 -0.11 0.00 -3.00 0.00 0.00 55.06 51.36 2jsn s HIS 7 Cb 0.15 0.52 0.20 0.00 -4.00 0.00 0.00 32.58 29.46 2jsn s HIS 7 CO 0.66 -1.21 1.09 -3.38 -1.00 0.00 0.00 174.74 170.91 2jsn s HIS 8 N -3.67 1.59 -1.34 0.38 0.00 -1.26 -4.08 115.29 106.90 2jsn s HIS 8 Ca 0.16 1.48 -0.13 0.00 -3.00 0.00 0.00 55.06 53.57 2jsn s HIS 8 Cb -0.04 -3.21 0.01 0.00 -4.00 0.00 0.00 32.58 25.34 2jsn s HIS 8 CO 0.09 -3.21 0.46 -0.11 -1.00 0.00 0.00 174.74 170.96 2jsn n LEU 9 N -4.49 -1.53 0.00 5.38 7.94 -1.26 -4.89 117.00 118.15 2jsn n LEU 9 Ca 0.08 -1.15 0.00 0.00 -1.11 0.00 0.00 56.01 53.82 2jsn n LEU 9 Cb 0.53 -1.95 0.00 0.00 0.53 0.00 0.00 43.42 42.53 2jsn n LEU 9 CO 0.53 0.55 0.37 -0.67 -1.11 0.00 0.00 177.39 177.07 2jsn n ASP 10 N -2.69 1.31 0.08 1.96 2.03 -1.26 -4.81 116.55 113.17 2jsn n ASP 10 Ca -0.22 -1.56 0.08 0.00 0.52 0.00 0.00 54.79 53.61 2jsn n ASP 10 Cb 0.64 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.41 2jsn n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jsn n SER 11 N -0.28 0.34 -4.68 1.67 7.64 -1.26 -4.82 113.62 112.23 2jsn n SER 11 Ca 0.00 0.61 -0.34 0.00 1.01 0.00 0.00 58.87 60.15 2jsn n SER 11 Cb 0.25 -0.67 0.12 0.00 -1.01 0.00 0.00 64.21 62.90 2jsn n SER 11 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2jsn n TYR 12 N -1.91 1.21 0.00 1.43 4.01 -1.26 -4.98 117.16 115.66 2jsn n TYR 12 Ca 0.01 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 2jsn n TYR 12 Cb 0.12 -2.11 0.00 0.00 -0.31 0.00 0.00 39.34 37.05 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jsn n ALA 13 N -3.15 1.09 -1.66 -0.72 0.00 -1.26 -5.12 120.51 109.69 2jsn n ALA 13 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2jsn n ALA 13 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2jsn n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jsn n PRO 14 N -1.35 1.64 -0.89 0.00 -0.02 -1.26 -4.88 135.00 128.24 2jsn n PRO 14 Ca 0.00 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2jsn n PRO 14 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 2jsn n PRO 14 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jsn n ARG 15 N -0.01 1.69 -4.22 -0.52 0.63 -1.26 -4.87 116.66 108.10 2jsn n ARG 15 Ca 0.08 -0.94 -0.13 0.00 -0.92 0.00 0.00 57.85 55.94 2jsn n ARG 15 Cb 0.40 -1.62 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 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 -0.16 1.28 0.38 5.13 0.00 -1.26 -1.05 121.76 126.08 2jsn s ALA 16 Ca 0.38 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.67 2jsn s ALA 16 Cb 0.21 1.35 -0.00 0.00 0.00 0.00 0.00 23.12 24.68 2jsn s ALA 16 CO -0.03 -0.58 0.49 -1.21 0.00 0.00 0.00 175.76 174.42 2jsn s GLU 17 N -4.10 2.90 0.72 0.00 0.41 -0.48 -4.96 118.70 113.19 2jsn s GLU 17 Ca 0.39 -1.19 -0.15 0.00 -0.41 0.00 0.00 54.97 53.62 2jsn s GLU 17 Cb 0.07 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2jsn s GLU 17 CO 0.13 -0.10 1.16 0.00 -0.49 0.00 0.00 175.26 175.97 2jsn s ALA 18 N -2.29 2.22 0.29 5.21 0.00 -1.26 -4.56 121.76 121.37 2jsn s ALA 18 Ca 0.49 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2jsn s ALA 18 Cb -0.09 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 2jsn s ALA 18 CO 0.31 -1.69 1.32 -2.00 0.00 0.00 0.00 175.76 173.69 2jsn s GLU 19 N -4.06 4.36 0.04 0.00 2.12 -1.26 -4.69 118.70 115.22 2jsn s GLU 19 Ca 0.71 2.18 -0.06 0.00 0.36 0.00 0.00 54.97 58.15 2jsn s GLU 19 Cb -0.25 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2jsn s GLU 19 CO 0.45 -0.21 0.11 0.15 -0.54 0.00 0.00 175.26 175.21 2jsn s LYS 20 N -1.24 0.61 0.30 4.30 1.02 -0.97 -4.99 119.74 118.77 2jsn s LYS 20 Ca 0.52 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 55.48 2jsn s LYS 20 Cb -0.39 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.06 2jsn s LYS 20 CO 0.48 -0.15 0.97 0.95 -0.92 0.00 0.00 175.35 176.68 2jsn s THR 21 N -2.66 4.04 0.09 2.17 -4.23 -1.26 -1.09 115.64 112.71 2jsn s THR 21 Ca -0.04 1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 62.27 2jsn s THR 21 Cb -0.01 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 2jsn s THR 21 CO -0.05 0.25 0.01 -0.36 -0.54 0.00 0.00 174.62 173.93 2jsn s PHE 22 N -1.45 0.72 0.34 3.99 0.08 0.32 -4.94 117.98 117.04 2jsn s PHE 22 Ca 0.48 -1.14 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 2jsn s PHE 22 Cb -0.22 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 41.81 2jsn s PHE 22 CO 0.28 -0.43 0.73 -1.12 -0.10 0.00 0.00 175.22 174.58 2jsn s SER 23 N -3.00 -0.05 0.11 1.36 0.01 -1.25 -1.61 113.70 109.28 2jsn s SER 23 Ca 0.16 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.50 2jsn s SER 23 Cb 0.08 0.79 -0.04 0.00 0.21 0.00 0.00 66.02 67.05 2jsn s SER 23 CO -0.04 -1.52 -0.10 -0.31 0.41 0.00 0.00 173.24 171.68 2jsn s TYR 24 N -3.01 1.13 0.73 2.43 2.02 -1.26 -4.40 117.35 114.99 2jsn s TYR 24 Ca 0.15 -0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 2jsn s TYR 24 Cb -0.05 -0.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.95 2jsn s TYR 24 CO 0.10 0.02 1.14 -1.25 -1.57 0.00 0.00 175.55 173.99 2jsn s PRO 25 N -3.14 2.28 0.23 -1.71 0.04 -1.26 -5.05 135.00 126.40 2jsn s PRO 25 Ca 0.09 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2jsn s PRO 25 Cb -0.01 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2jsn s PRO 25 CO -0.00 -1.67 0.55 -1.17 0.04 0.00 0.00 177.00 174.75 2jsn s LEU 26 N -5.38 0.09 -1.49 -3.56 0.20 -1.26 -5.05 118.68 102.22 2jsn s LEU 26 Ca 0.68 -0.66 -0.10 0.00 0.69 0.00 0.00 54.13 54.73 2jsn s LEU 26 Cb -0.23 2.15 -0.07 0.00 -0.43 0.00 0.00 46.19 47.62 2jsn s LEU 26 CO 0.47 -1.15 2.73 -0.67 -0.29 0.00 0.00 176.35 177.45 2jsn n ASP 27 N -0.38 7.47 -4.04 3.68 2.03 -1.26 -4.84 116.55 119.20 2jsn n ASP 27 Ca -0.06 -2.58 -0.09 0.00 0.52 0.00 0.00 54.79 52.59 2jsn n ASP 27 Cb 0.61 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.41 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jsn s LEU 28 N 0.46 2.35 -0.13 -2.67 1.43 -1.26 -4.23 118.68 114.63 2jsn s LEU 28 Ca 0.63 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 2jsn s LEU 28 Cb 0.16 0.09 0.06 0.00 0.03 0.00 0.00 46.19 46.53 2jsn s LEU 28 CO -0.06 -0.41 0.31 -0.22 0.23 0.00 0.00 176.35 176.20 2jsn s LEU 29 N -2.12 0.07 0.11 1.79 2.96 -0.27 -4.93 118.68 116.28 2jsn s LEU 29 Ca -0.05 0.68 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 2jsn s LEU 29 Cb -0.02 0.95 -0.04 0.00 0.50 0.00 0.00 46.19 47.58 2jsn s LEU 29 CO -0.04 -0.19 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.81 2jsn s LEU 30 N 1.59 2.30 0.16 -0.68 1.02 -1.26 -0.34 118.68 121.46 2jsn s LEU 30 Ca -0.07 -0.70 -0.09 0.00 0.02 0.00 0.00 54.13 53.28 2jsn s LEU 30 Cb -0.10 -1.00 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 2jsn s LEU 30 CO -0.10 0.10 0.28 -1.59 0.02 0.00 0.00 176.35 175.07 2jsn s LYS 31 N -1.94 1.13 0.01 1.70 0.00 -0.22 -4.86 119.74 115.55 2jsn s LYS 31 Ca 0.09 -1.12 -0.23 0.00 0.00 0.00 0.00 55.97 54.71 2jsn s LYS 31 Cb -0.10 0.38 -0.05 0.00 0.00 0.00 0.00 37.83 38.06 2jsn s LYS 31 CO 0.05 -0.41 0.68 -1.17 0.00 0.00 0.00 175.35 174.50 2jsn s LEU 32 N -2.95 4.41 -0.15 2.77 2.96 -1.26 -0.69 118.68 123.77 2jsn s LEU 32 Ca 0.15 1.29 -0.08 0.00 -0.22 0.00 0.00 54.13 55.27 2jsn s LEU 32 Cb 0.03 -3.08 0.06 0.00 0.50 0.00 0.00 46.19 43.70 2jsn s LEU 32 CO -0.02 0.03 0.37 -2.28 -1.32 0.00 0.00 176.35 173.13 2jsn s HIS 33 N 0.03 -0.54 -1.46 5.38 5.65 0.05 -4.94 115.29 119.45 2jsn s HIS 33 Ca 0.35 1.16 -0.00 0.00 0.25 0.00 0.00 55.06 56.83 2jsn s HIS 33 Cb -0.19 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.42 2jsn s HIS 33 CO 0.20 -0.32 0.26 -3.47 -0.65 0.00 0.00 174.74 170.76 2jsn n ASP 34 N 4.32 0.17 -1.20 9.88 2.03 -1.26 -1.00 116.55 129.49 2jsn n ASP 34 Ca -0.23 -1.11 -0.16 0.00 0.52 0.00 0.00 54.79 53.82 2jsn n ASP 34 Cb 0.54 -2.52 -0.07 0.00 -0.72 0.00 0.00 41.12 38.36 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 -4.47 -1.36 -4.57 -0.67 -0.58 -1.26 -4.99 120.64 102.73 2jsn n GLU 35 Ca -0.32 1.04 -0.23 0.00 -0.42 0.00 0.00 57.16 57.23 2jsn n GLU 35 Cb 0.69 -5.33 -0.14 0.00 -0.57 0.00 0.00 31.44 26.09 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jsn s ARG 36 N -3.29 1.18 -0.06 3.49 0.52 -0.17 -2.81 118.95 117.82 2jsn s ARG 36 Ca 0.00 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 2jsn s ARG 36 Cb 0.00 -1.21 -0.02 0.00 0.52 0.00 0.00 34.95 34.24 2jsn s ARG 36 CO 0.00 0.31 0.94 0.08 0.02 0.00 0.00 175.30 176.65 2jsn s VAL 37 N -0.67 4.86 0.05 3.52 1.01 -0.57 -0.77 120.40 127.83 2jsn s VAL 37 Ca 0.05 1.93 0.08 0.00 0.00 0.00 0.00 61.98 64.04 2jsn s VAL 37 Cb -0.07 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2jsn s VAL 37 CO 0.01 0.10 -0.22 -0.76 0.00 0.00 0.00 175.10 174.23 2jsn s LEU 38 N 1.45 2.18 -0.48 3.92 1.02 0.13 -1.20 118.68 125.72 2jsn s LEU 38 Ca 0.47 -0.56 -0.28 0.00 0.02 0.00 0.00 54.13 53.78 2jsn s LEU 38 Cb -0.19 -1.05 0.01 0.00 0.02 0.00 0.00 46.19 44.98 2jsn s LEU 38 CO 0.22 0.18 1.44 -0.69 0.02 0.00 0.00 176.35 177.52 2jsn s VAL 39 N -0.84 3.82 0.13 -1.59 1.01 0.43 -1.05 120.40 122.30 2jsn s VAL 39 Ca 0.09 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.92 2jsn s VAL 39 Cb -0.09 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 2jsn s VAL 39 CO 0.02 -0.92 1.34 0.00 0.00 0.00 0.00 175.10 175.54 2jsn h ALA 40 N 11.11 0.46 -2.90 5.51 0.00 -1.02 0.03 119.26 132.45 2jsn h ALA 40 Ca -0.27 -0.83 -0.15 0.00 0.00 0.00 0.00 54.91 53.66 2jsn h ALA 40 Cb 1.10 -0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.51 2jsn h ALA 40 CO 1.13 1.14 -0.37 0.12 0.00 0.00 0.00 179.25 181.27 2jsn s PHE 41 N -2.86 -0.25 0.00 0.00 5.36 -0.70 -4.81 117.98 114.72 2jsn s PHE 41 Ca 0.01 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 2jsn s PHE 41 Cb 0.10 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 2jsn s PHE 41 CO 0.81 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 174.76 2jsn n GLY 42 N 2.42 -0.25 2.64 13.12 0.00 -1.26 -1.12 105.19 120.75 2jsn n GLY 42 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.76 0.31 1.61 1.13 -1.26 -4.95 117.38 115.99 2jsn n GLN 43 Ca 0.00 -3.54 0.17 0.00 -1.94 0.00 0.00 57.00 51.68 2jsn n GLN 43 Cb 0.00 -1.54 0.90 0.00 0.11 0.00 0.00 30.24 29.70 2jsn n GLN 43 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2jsn h ARG 44 N 2.78 0.00 0.00 -1.09 -0.00 -1.96 -0.39 114.38 113.72 2jsn h ARG 44 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2jsn h ARG 44 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2jsn h ARG 44 CO 0.47 0.00 0.00 0.22 -0.00 0.00 0.00 179.97 180.66 2jsn h ASP 45 N 0.00 0.00 0.00 0.08 3.58 -2.04 -3.46 116.42 114.58 2jsn h ASP 45 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jsn h ASP 45 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2jsn h ASP 45 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2jsn n GLY 46 N -0.96 3.61 0.31 -0.78 0.00 -0.16 -5.06 105.19 102.16 2jsn n GLY 46 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.08 0.77 -0.61 -5.35 -1.26 -4.91 119.36 109.09 2jsn n ILE 47 Ca 0.00 -1.36 0.00 0.00 -0.27 0.00 0.00 62.75 61.12 2jsn n ILE 47 Cb 0.00 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 2jsn n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2jsn n ARG 48 N -0.79 0.77 -0.52 6.28 1.74 -1.26 -4.86 116.66 118.02 2jsn n ARG 48 Ca 0.09 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 2jsn n ARG 48 Cb 0.68 -1.38 0.26 0.00 -1.02 0.00 0.00 32.46 31.01 2jsn n ARG 48 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jsn s VAL 49 N -0.97 1.75 0.00 1.55 -7.23 -1.26 -4.28 120.40 109.96 2jsn s VAL 49 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2jsn s VAL 49 Cb 0.00 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2jsn s VAL 49 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2jsn n GLY 50 N 0.88 0.73 3.67 2.32 0.00 -0.00 -5.04 105.19 107.75 2jsn n GLY 50 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 2jsn n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jsn n HIS 51 N -2.13 2.33 -3.04 1.61 8.25 -1.26 -4.49 115.22 116.49 2jsn n HIS 51 Ca 0.00 0.20 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 2jsn n HIS 51 Cb 0.00 -2.58 -0.06 0.00 1.12 0.00 0.00 29.99 28.47 2jsn n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jsn s ALA 52 N 1.43 3.45 0.33 -1.41 0.00 0.73 -0.43 121.76 125.87 2jsn s ALA 52 Ca 0.81 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2jsn s ALA 52 Cb -0.66 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 2jsn s ALA 52 CO 0.39 0.31 1.23 0.08 0.00 0.00 0.00 175.76 177.78 2jsn s VAL 53 N -1.24 2.98 0.00 0.00 1.01 -0.34 -1.45 120.40 121.36 2jsn s VAL 53 Ca 0.37 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2jsn s VAL 53 Cb -0.21 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jsn s VAL 53 CO 0.24 0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.73 2jsn n LEU 54 N 0.79 0.61 -3.65 3.92 4.77 0.23 -4.81 117.00 118.86 2jsn n LEU 54 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2jsn n LEU 54 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2jsn n LEU 54 CO 0.57 0.10 0.15 0.00 -1.33 0.00 0.00 177.39 176.87 2jsn s ALA 55 N -1.87 -0.89 -0.01 -1.18 0.00 -0.46 -0.89 121.76 116.45 2jsn s ALA 55 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 2jsn s ALA 55 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2jsn s ALA 55 CO 0.00 -0.64 0.02 0.42 0.00 0.00 0.00 175.76 175.56 2jsn s ILE 56 N -3.81 -0.00 -0.79 0.00 1.01 -0.22 -0.87 121.20 116.51 2jsn s ILE 56 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2jsn s ILE 56 Cb 0.02 -0.04 0.00 0.00 0.01 0.00 0.00 42.46 42.45 2jsn s ILE 56 CO -0.12 0.01 0.00 -0.46 0.00 0.00 0.00 174.94 174.37 2jsn n ASN 57 N 3.16 -2.13 0.00 3.58 0.23 0.32 -0.72 115.26 119.69 2jsn n ASN 57 Ca -0.13 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2jsn n ASN 57 Cb 0.59 -2.15 0.00 0.00 -2.08 0.00 0.00 39.78 36.14 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jsn n GLY 58 N -0.23 2.78 3.65 4.83 0.00 -1.26 -4.98 105.19 109.98 2jsn n GLY 58 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.18 4.09 0.27 1.61 -1.94 0.10 -4.99 119.30 118.26 2jsn s MET 59 Ca 0.00 1.54 -0.30 0.00 -1.71 0.00 0.00 55.69 55.21 2jsn s MET 59 Cb 0.00 -3.83 -0.13 0.00 2.01 0.00 0.00 34.83 32.88 2jsn s MET 59 CO 0.00 -0.90 1.47 -3.47 -0.01 0.00 0.00 175.02 172.11 2jsn n ASP 60 N 7.11 3.18 -4.69 3.03 -0.08 -1.26 -1.06 116.55 122.77 2jsn n ASP 60 Ca 0.15 1.15 -0.37 0.00 -1.51 0.00 0.00 54.79 54.21 2jsn n ASP 60 Cb 0.45 -1.50 -0.08 0.00 2.34 0.00 0.00 41.12 42.33 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2jsn s VAL 61 N -0.17 5.32 -1.08 5.18 -7.23 -0.07 -2.91 120.40 119.44 2jsn s VAL 61 Ca 0.65 0.38 -0.21 0.00 -1.81 0.00 0.00 61.98 61.00 2jsn s VAL 61 Cb -0.58 -3.58 -0.08 0.00 0.56 0.00 0.00 36.38 32.71 2jsn s VAL 61 CO 0.51 0.35 1.94 -3.20 -0.31 0.00 0.00 175.10 174.38 2jsn n ASN 62 N 4.07 3.24 0.00 4.85 5.15 0.98 -4.75 115.26 128.80 2jsn n ASN 62 Ca -0.13 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 2jsn n ASN 62 Cb 0.52 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 5.03 0.69 0.11 8.20 0.00 -1.26 -1.46 105.19 116.50 2jsn n GLY 63 Ca 0.48 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.55 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 0.73 -4.51 1.61 1.85 -1.12 -1.52 116.66 113.70 2jsn n ARG 64 Ca 0.00 -0.98 -0.24 0.00 -1.00 0.00 0.00 57.85 55.63 2jsn n ARG 64 Cb 0.00 -0.69 -0.14 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.44 1.68 1.06 2.89 2.02 -0.53 -0.52 117.35 123.50 2jsn s TYR 65 Ca 0.03 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 2jsn s TYR 65 Cb 0.02 -0.98 0.22 0.00 -0.40 0.00 0.00 41.96 40.82 2jsn s TYR 65 CO 0.00 0.10 1.10 0.95 -1.57 0.00 0.00 175.55 176.13 2jsn s THR 66 N -0.89 1.91 0.31 -0.71 -4.23 0.20 -0.01 115.64 112.22 2jsn s THR 66 Ca 0.06 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2jsn s THR 66 Cb -0.09 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.54 2jsn s THR 66 CO 0.02 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.03 2jsn h ALA 67 N -2.09 1.53 -0.43 3.99 0.00 -1.82 -2.39 119.26 118.05 2jsn h ALA 67 Ca -0.53 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 2jsn h ALA 67 Cb 1.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2jsn h ALA 67 CO 0.52 0.36 -0.31 0.22 0.00 0.00 0.00 179.25 180.05 2jsn h ASP 68 N 0.99 1.02 0.00 0.00 3.58 -1.92 -3.48 116.42 116.61 2jsn h ASP 68 Ca 0.36 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2jsn h ASP 68 Cb 0.14 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2jsn h ASP 68 CO -0.12 1.23 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 2jsn n GLY 69 N 0.02 0.28 3.75 -0.78 0.00 -0.90 -5.12 105.19 102.44 2jsn n GLY 69 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2jsn n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jsn n LYS 70 N 0.00 2.70 -2.10 1.61 4.76 -1.26 -4.57 118.16 119.30 2jsn n LYS 70 Ca 0.00 0.96 -0.42 0.00 -2.87 0.00 0.00 58.31 55.98 2jsn n LYS 70 Cb 0.00 -2.73 -0.03 0.00 -1.84 0.00 0.00 35.03 30.43 2jsn n LYS 70 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2jsn s GLU 71 N -0.87 4.28 0.22 1.97 2.12 -1.26 -0.63 118.70 124.53 2jsn s GLU 71 Ca 0.61 2.15 -0.09 0.00 0.36 0.00 0.00 54.97 58.00 2jsn s GLU 71 Cb -0.49 -3.31 0.18 0.00 0.26 0.00 0.00 34.13 30.77 2jsn s GLU 71 CO 0.52 -0.52 1.88 0.28 -0.54 0.00 0.00 175.26 176.88 2jsn h VAL 72 N 4.35 1.22 -0.44 3.70 2.07 -1.14 0.62 116.25 126.62 2jsn h VAL 72 Ca -0.42 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 2jsn h VAL 72 Cb 1.20 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2jsn h VAL 72 CO 0.89 0.22 -0.04 -0.07 0.02 0.00 0.00 177.57 178.58 2jsn h LEU 73 N 1.11 0.80 -0.50 2.57 3.38 -1.91 0.56 115.31 121.32 2jsn h LEU 73 Ca 0.30 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2jsn h LEU 73 Cb -0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2jsn h LEU 73 CO -0.06 0.94 0.06 -0.08 0.09 0.00 0.00 178.44 179.38 2jsn h GLU 74 N 0.64 0.84 0.31 1.13 4.81 -1.85 -0.32 114.58 120.14 2jsn h GLU 74 Ca 0.12 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2jsn h GLU 74 Cb 0.55 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2jsn h GLU 74 CO 0.03 0.85 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.10 2jsn h TYR 75 N 0.71 -0.38 0.00 0.92 3.20 -0.70 -2.58 116.97 118.15 2jsn h TYR 75 Ca 0.15 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2jsn h TYR 75 Cb 0.43 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2jsn h TYR 75 CO 0.03 -0.21 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.06 2jsn h LEU 76 N -0.46 0.00 -0.58 2.82 3.38 -0.83 -1.81 115.31 117.84 2jsn h LEU 76 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jsn h LEU 76 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jsn h LEU 76 CO 0.07 0.22 0.00 1.23 0.09 0.00 0.00 178.44 180.05 2jsn h GLY 77 N 1.04 0.00 -6.53 0.83 0.00 -0.73 -3.44 103.07 94.23 2jsn h GLY 77 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.73 2jsn h GLY 77 CO 0.03 0.00 0.60 0.21 0.00 0.00 0.00 176.54 177.37 2jsn s ASN 78 N -4.50 6.62 0.52 0.19 2.47 -0.68 -4.94 114.94 114.61 2jsn s ASN 78 Ca 0.06 0.44 0.30 0.00 0.42 0.00 0.00 52.86 54.07 2jsn s ASN 78 Cb 0.10 -2.46 1.36 0.00 -1.45 0.00 0.00 41.25 38.80 2jsn s ASN 78 CO 0.46 -0.92 2.00 1.55 -3.72 0.00 0.00 177.10 176.47 2jsn h PRO 79 N 8.67 0.00 0.00 0.43 0.13 -1.87 -1.87 132.00 137.49 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 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jsn h PRO 79 CO 1.00 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 2jsn n ALA 80 N -2.18 1.24 -2.17 -0.56 0.00 -1.26 -2.18 120.51 113.40 2jsn n ALA 80 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.50 2jsn n ALA 80 Cb 0.30 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.66 1.09 -0.16 0.00 6.94 -0.71 -4.89 115.26 115.87 2jsn n ASN 81 Ca 0.01 -2.47 -0.02 0.00 -0.02 0.00 0.00 54.58 52.08 2jsn n ASN 81 Cb 0.07 -0.34 0.07 0.00 -2.36 0.00 0.00 39.78 37.22 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 0.82 0.13 -2.48 -2.53 0.05 -1.31 -3.38 116.97 108.28 2jsn h TYR 82 Ca -0.14 0.03 -0.54 0.00 0.05 0.00 0.00 58.73 58.13 2jsn h TYR 82 Cb 1.60 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 39.31 2jsn h TYR 82 CO 0.29 -0.02 1.25 -1.25 -1.05 0.00 0.00 178.16 177.37 2jsn s PRO 83 N -6.14 3.06 0.07 4.88 0.04 -1.26 -3.89 135.00 131.76 2jsn s PRO 83 Ca -0.13 0.83 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 2jsn s PRO 83 Cb 0.16 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2jsn s PRO 83 CO 0.73 -2.20 0.19 0.14 0.04 0.00 0.00 177.00 175.90 2jsn s VAL 84 N 7.45 0.13 0.28 -0.36 -7.23 -0.63 -5.00 120.40 115.04 2jsn s VAL 84 Ca 0.67 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 59.59 2jsn s VAL 84 Cb -0.15 -1.15 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 2jsn s VAL 84 CO 0.26 -0.58 0.78 -0.44 -0.31 0.00 0.00 175.10 174.81 2jsn s SER 85 N -2.51 7.03 0.02 4.85 0.01 -1.26 -0.52 113.70 121.31 2jsn s SER 85 Ca 0.00 1.48 0.02 0.00 1.31 0.00 0.00 55.95 58.76 2jsn s SER 85 Cb 0.02 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2jsn s SER 85 CO -0.08 -0.07 -0.06 -0.63 0.41 0.00 0.00 173.24 172.81 2jsn s ILE 86 N -1.70 0.43 -0.09 1.44 1.01 -0.25 -0.52 121.20 121.51 2jsn s ILE 86 Ca 0.48 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2jsn s ILE 86 Cb -0.15 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 2jsn s ILE 86 CO 0.20 -0.14 -0.20 -0.13 0.00 0.00 0.00 174.94 174.66 2jsn s ARG 87 N -0.82 2.95 0.13 2.79 0.52 -0.05 -2.29 118.95 122.18 2jsn s ARG 87 Ca -0.04 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2jsn s ARG 87 Cb -0.06 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 2jsn s ARG 87 CO 0.00 0.29 0.10 -0.59 0.02 0.00 0.00 175.30 175.12 2jsn s PHE 88 N 0.10 0.75 0.06 -0.53 -0.12 -1.26 -0.60 117.98 116.38 2jsn s PHE 88 Ca -0.10 -1.13 -0.10 0.00 -0.05 0.00 0.00 56.93 55.56 2jsn s PHE 88 Cb -0.16 -0.39 0.03 0.00 -0.63 0.00 0.00 43.02 41.88 2jsn s PHE 88 CO 0.06 -0.55 0.45 0.41 -0.05 0.00 0.00 175.22 175.54 2jsn n GLY 89 N -0.11 0.91 3.75 1.99 0.00 -0.53 -1.38 105.19 109.82 2jsn n GLY 89 Ca -0.06 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.02 2.18 0.86 1.61 1.81 -0.22 -0.19 118.95 122.98 2jsn s ARG 90 Ca 0.10 1.30 -0.15 0.00 -1.72 0.00 0.00 55.73 55.26 2jsn s ARG 90 Cb -0.01 -1.88 -0.02 0.00 -0.45 0.00 0.00 34.95 32.59 2jsn s ARG 90 CO 0.02 -1.72 0.28 -2.30 -0.68 0.00 0.00 175.30 170.90 2jsn n PRO 91 N -3.37 -0.02 0.00 3.54 -0.02 -1.26 -4.58 135.00 129.29 2jsn n PRO 91 Ca 0.10 0.03 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 2jsn n PRO 91 Cb 0.53 -1.71 0.05 0.00 -0.02 0.00 0.00 33.50 32.35 2jsn n PRO 91 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jsn n ARG 92 N -0.69 0.00 -4.30 -0.52 5.12 -1.26 -4.73 116.66 110.28 2jsn n ARG 92 Ca 0.07 0.46 -0.20 0.00 -1.93 0.00 0.00 57.85 56.24 2jsn n ARG 92 Cb 0.52 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.24 2jsn n ARG 92 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2jsn s LEU 93 N -3.01 1.81 0.42 0.55 2.34 -1.26 -5.06 118.68 114.48 2jsn s LEU 93 Ca 0.01 -1.79 0.22 0.00 0.06 0.00 0.00 54.13 52.64 2jsn s LEU 93 Cb 0.02 0.53 1.20 0.00 -0.56 0.00 0.00 46.19 47.38 2jsn s LEU 93 CO 0.04 -1.07 1.63 0.74 -1.06 0.00 0.00 176.35 176.63 2jsn h THR 94 N 2.08 0.00 -2.36 5.48 2.02 -2.02 -3.43 112.91 114.68 2jsn h THR 94 Ca -0.25 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.32 2jsn h THR 94 Cb 1.23 0.49 0.08 0.00 -1.74 0.00 0.00 68.15 68.22 2jsn h THR 94 CO 0.36 0.00 0.41 -1.20 0.37 0.00 0.00 175.52 175.46 2jsn n SER 95 N -2.38 2.00 0.00 4.18 7.64 -1.26 -5.08 113.62 118.72 2jsn n SER 95 Ca -0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2jsn n SER 95 Cb 0.22 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83