#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 -0.23 0.52 -5.12 0.00 -1.26 -5.03 107.32 96.20 2jsn s GLY 2 Ca 0.00 0.25 0.16 0.00 0.00 0.00 0.00 44.72 45.13 2jsn s GLY 2 CO 0.00 1.01 2.14 1.12 0.00 0.00 0.00 173.10 177.37 2jsn h HIS 3 N 2.00 0.00 -0.26 1.90 -0.00 -1.92 -0.29 115.15 116.58 2jsn h HIS 3 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 2jsn h HIS 3 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 2jsn h HIS 3 CO 0.63 0.02 0.12 1.25 -0.00 0.00 0.00 177.93 179.95 2jsn h HIS 4 N 0.00 0.37 -0.16 6.12 -0.00 -1.97 -1.43 115.15 118.08 2jsn h HIS 4 Ca -0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 2jsn h HIS 4 Cb 0.03 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2jsn h HIS 4 CO 0.00 0.36 -0.40 1.25 -0.00 0.00 0.00 177.93 179.14 2jsn h HIS 5 N 0.28 0.43 0.00 5.26 -0.00 -1.62 -1.70 115.15 117.80 2jsn h HIS 5 Ca 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2jsn h HIS 5 Cb 0.13 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2jsn h HIS 5 CO -0.02 0.72 0.00 1.25 -0.00 0.00 0.00 177.93 179.88 2jsn h HIS 6 N 0.31 0.00 -6.64 5.26 2.76 -0.80 -3.47 115.15 112.57 2jsn h HIS 6 Ca 0.03 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.67 2jsn h HIS 6 Cb 0.84 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.69 2jsn h HIS 6 CO 0.02 0.00 -0.89 0.72 -1.30 0.00 0.00 177.93 176.49 2jsn n HIS 7 N -2.72 -1.62 -3.96 5.26 8.25 -0.58 -4.96 115.22 114.89 2jsn n HIS 7 Ca -0.01 0.74 -0.09 0.00 -0.26 0.00 0.00 57.72 58.10 2jsn n HIS 7 Cb 0.11 -3.41 -0.04 0.00 1.12 0.00 0.00 29.99 27.77 2jsn n HIS 7 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jsn s HIS 8 N -3.85 0.30 0.90 4.41 5.04 -0.96 -5.06 115.29 116.06 2jsn s HIS 8 Ca 0.19 -0.70 -0.12 0.00 -1.54 0.00 0.00 55.06 52.89 2jsn s HIS 8 Cb -0.10 0.32 0.13 0.00 0.04 0.00 0.00 32.58 32.97 2jsn s HIS 8 CO 0.91 -1.11 1.14 -0.48 -2.34 0.00 0.00 174.74 172.86 2jsn s LEU 9 N -3.02 2.09 -0.01 8.88 2.34 -1.26 -4.50 118.68 123.19 2jsn s LEU 9 Ca 0.20 0.99 -0.01 0.00 0.06 0.00 0.00 54.13 55.37 2jsn s LEU 9 Cb -0.02 -3.35 -0.04 0.00 -0.56 0.00 0.00 46.19 42.22 2jsn s LEU 9 CO 0.10 -2.47 0.07 -0.62 -1.06 0.00 0.00 176.35 172.37 2jsn s ASP 10 N -4.04 5.64 0.09 1.48 2.15 -1.26 -4.94 116.67 115.78 2jsn s ASP 10 Ca 0.63 0.15 -0.12 0.00 0.43 0.00 0.00 52.55 53.65 2jsn s ASP 10 Cb -0.15 -1.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.87 2jsn s ASP 10 CO 0.53 0.29 0.27 -0.94 -0.17 0.00 0.00 175.17 175.15 2jsn s SER 11 N -1.63 -0.03 0.25 -0.34 1.04 -1.26 -5.06 113.70 106.67 2jsn s SER 11 Ca 0.22 -0.46 0.17 0.00 0.48 0.00 0.00 55.95 56.36 2jsn s SER 11 Cb -0.12 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.43 2jsn s SER 11 CO 0.12 -0.73 1.31 0.10 0.98 0.00 0.00 173.24 175.03 2jsn h TYR 12 N 2.78 0.00 -0.45 5.02 -0.00 -2.09 -3.39 116.97 118.83 2jsn h TYR 12 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.38 2jsn h TYR 12 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.92 2jsn h TYR 12 CO 0.41 0.43 0.22 0.00 -0.00 0.00 0.00 178.16 179.21 2jsn h ALA 13 N 1.57 1.53 -2.44 0.10 0.00 -2.05 -3.44 119.26 114.53 2jsn h ALA 13 Ca -0.03 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 2jsn h ALA 13 Cb 1.35 -0.19 0.14 0.00 0.00 0.00 0.00 17.79 19.10 2jsn h ALA 13 CO 0.05 0.38 0.04 -2.30 0.00 0.00 0.00 179.25 177.42 2jsn n PRO 14 N -4.39 1.10 -3.69 0.00 -0.02 -1.26 -5.03 135.00 121.70 2jsn n PRO 14 Ca 0.03 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 2jsn n PRO 14 Cb 0.12 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2jsn n PRO 14 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2jsn s ARG 15 N -2.09 0.81 0.85 -0.52 3.52 -1.26 -5.16 118.95 115.11 2jsn s ARG 15 Ca 0.66 -0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 2jsn s ARG 15 Cb -0.53 0.37 0.11 0.00 -1.56 0.00 0.00 34.95 33.33 2jsn s ARG 15 CO 0.55 -0.25 1.10 0.00 -0.81 0.00 0.00 175.30 175.89 2jsn s ALA 16 N -1.70 1.77 -1.62 6.12 0.00 -1.26 -3.71 121.76 121.35 2jsn s ALA 16 Ca -0.10 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 2jsn s ALA 16 Cb -0.03 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.91 2jsn s ALA 16 CO 0.03 -2.24 0.66 0.39 0.00 0.00 0.00 175.76 174.60 2jsn n GLU 17 N -3.84 -3.14 -2.55 0.00 1.02 -0.62 -4.97 120.64 106.53 2jsn n GLU 17 Ca 0.09 0.37 -0.37 0.00 -0.02 0.00 0.00 57.16 57.23 2jsn n GLU 17 Cb 0.53 -4.89 -0.04 0.00 -0.02 0.00 0.00 31.44 27.02 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsn s ALA 18 N -3.51 3.13 -0.05 0.62 0.00 -0.79 -4.85 121.76 116.31 2jsn s ALA 18 Ca 0.52 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 2jsn s ALA 18 Cb -0.28 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2jsn s ALA 18 CO 0.92 -0.18 0.12 -2.00 0.00 0.00 0.00 175.76 174.62 2jsn s GLU 19 N -2.33 0.12 0.09 0.00 2.12 -1.26 -0.65 118.70 116.78 2jsn s GLU 19 Ca 0.56 0.20 -0.25 0.00 0.36 0.00 0.00 54.97 55.84 2jsn s GLU 19 Cb -0.23 0.01 0.07 0.00 0.26 0.00 0.00 34.13 34.23 2jsn s GLU 19 CO 0.29 -0.05 0.61 0.21 -0.54 0.00 0.00 175.26 175.77 2jsn s LYS 20 N 0.32 1.19 0.29 4.30 2.47 -0.71 -5.00 119.74 122.59 2jsn s LYS 20 Ca -0.02 -0.26 -0.28 0.00 -1.56 0.00 0.00 55.97 53.85 2jsn s LYS 20 Cb -0.03 0.55 -0.09 0.00 -1.46 0.00 0.00 37.83 36.79 2jsn s LYS 20 CO -0.01 -0.47 0.96 0.95 0.16 0.00 0.00 175.35 176.93 2jsn s THR 21 N -2.93 4.09 0.08 3.43 -4.23 -1.26 -1.21 115.64 113.61 2jsn s THR 21 Ca -0.03 1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 62.32 2jsn s THR 21 Cb -0.01 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.70 2jsn s THR 21 CO -0.06 0.29 0.11 -0.36 -0.54 0.00 0.00 174.62 174.06 2jsn s PHE 22 N -1.42 0.33 0.31 3.99 0.08 0.08 -4.95 117.98 116.41 2jsn s PHE 22 Ca 0.47 -0.80 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 2jsn s PHE 22 Cb -0.22 -0.20 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 2jsn s PHE 22 CO 0.28 -0.49 0.51 -1.12 -0.10 0.00 0.00 175.22 174.30 2jsn s SER 23 N -2.90 0.40 0.19 1.36 0.01 -1.26 -1.05 113.70 110.45 2jsn s SER 23 Ca 0.07 -1.23 0.07 0.00 1.31 0.00 0.00 55.95 56.18 2jsn s SER 23 Cb 0.06 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.90 2jsn s SER 23 CO -0.09 -1.28 -0.14 -0.31 0.41 0.00 0.00 173.24 171.82 2jsn s TYR 24 N -3.34 1.65 0.50 2.43 2.02 -1.26 -4.26 117.35 115.09 2jsn s TYR 24 Ca 0.26 -0.58 -0.23 0.00 -0.37 0.00 0.00 57.07 56.15 2jsn s TYR 24 Cb -0.01 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.70 2jsn s TYR 24 CO 0.15 0.31 1.36 -2.14 -1.57 0.00 0.00 175.55 173.65 2jsn s PRO 25 N -3.47 3.39 0.12 -1.71 0.02 -1.26 -4.99 135.00 127.10 2jsn s PRO 25 Ca 0.20 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.22 2jsn s PRO 25 Cb -0.01 -2.41 0.07 0.00 0.02 0.00 0.00 34.50 32.17 2jsn s PRO 25 CO 0.06 -1.00 0.63 -1.17 -0.33 0.00 0.00 177.00 175.19 2jsn s LEU 26 N -3.19 -0.57 0.48 -5.54 2.96 -1.26 -5.05 118.68 106.50 2jsn s LEU 26 Ca 0.67 0.11 0.27 0.00 -0.22 0.00 0.00 54.13 54.96 2jsn s LEU 26 Cb -0.40 2.56 1.06 0.00 0.50 0.00 0.00 46.19 49.90 2jsn s LEU 26 CO 0.49 -0.90 1.88 -0.78 -1.32 0.00 0.00 176.35 175.72 2jsn h ASP 27 N 2.15 0.00 -2.55 3.68 3.58 -1.95 -3.42 116.42 117.91 2jsn h ASP 27 Ca -0.32 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.60 2jsn h ASP 27 Cb 1.28 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.38 2jsn h ASP 27 CO 0.38 0.14 1.06 -0.11 -2.88 0.00 0.00 179.24 177.84 2jsn n LEU 28 N -3.29 4.01 -4.08 2.28 7.94 -1.26 -3.41 117.00 119.19 2jsn n LEU 28 Ca 0.00 1.02 -0.09 0.00 -1.11 0.00 0.00 56.01 55.84 2jsn n LEU 28 Cb 0.39 -1.55 -0.10 0.00 0.53 0.00 0.00 43.42 42.68 2jsn n LEU 28 CO 0.31 0.17 -0.37 -0.76 -1.11 0.00 0.00 177.39 175.63 2jsn s LEU 29 N 2.05 2.42 0.15 -1.96 1.43 -0.53 -4.94 118.68 117.29 2jsn s LEU 29 Ca 0.79 -0.86 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 2jsn s LEU 29 Cb -0.50 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 2jsn s LEU 29 CO 0.35 -0.47 -0.20 -0.76 0.23 0.00 0.00 176.35 175.50 2jsn s LEU 30 N -2.52 2.39 0.14 1.79 2.01 -1.26 -0.58 118.68 120.65 2jsn s LEU 30 Ca 0.02 -0.80 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 2jsn s LEU 30 Cb 0.02 -0.90 -0.03 0.00 0.01 0.00 0.00 46.19 45.29 2jsn s LEU 30 CO -0.06 0.02 0.14 -1.59 1.01 0.00 0.00 176.35 175.87 2jsn s LYS 31 N -2.47 1.00 -0.18 1.70 0.00 -0.23 -4.71 119.74 114.85 2jsn s LYS 31 Ca 0.13 -1.32 -0.05 0.00 0.00 0.00 0.00 55.97 54.73 2jsn s LYS 31 Cb -0.07 0.29 -0.03 0.00 0.00 0.00 0.00 37.83 38.02 2jsn s LYS 31 CO 0.06 -0.32 -0.00 -1.17 0.00 0.00 0.00 175.35 173.92 2jsn s LEU 32 N -3.01 3.33 -0.13 2.77 2.96 -1.26 -0.65 118.68 122.69 2jsn s LEU 32 Ca 0.20 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.84 2jsn s LEU 32 Cb 0.06 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.95 2jsn s LEU 32 CO 0.00 0.11 0.39 -2.28 -1.32 0.00 0.00 176.35 173.25 2jsn s HIS 33 N 0.71 -0.41 -1.60 5.38 5.65 -0.41 -4.94 115.29 119.67 2jsn s HIS 33 Ca -0.00 0.98 -0.12 0.00 0.25 0.00 0.00 55.06 56.18 2jsn s HIS 33 Cb -0.14 0.14 0.10 0.00 -1.18 0.00 0.00 32.58 31.50 2jsn s HIS 33 CO 0.02 -0.22 0.62 -3.47 -0.65 0.00 0.00 174.74 171.04 2jsn n ASP 34 N 2.73 -2.08 -1.97 9.88 2.03 -1.26 -1.03 116.55 124.85 2jsn n ASP 34 Ca -0.14 -1.03 -0.20 0.00 0.52 0.00 0.00 54.79 53.94 2jsn n ASP 34 Cb 0.57 -2.77 -0.05 0.00 -0.72 0.00 0.00 41.12 38.16 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 -4.40 -1.59 -4.58 -0.67 -0.58 -1.26 -4.99 120.64 102.57 2jsn n GLU 35 Ca -0.07 1.07 -0.22 0.00 -0.42 0.00 0.00 57.16 57.52 2jsn n GLU 35 Cb 0.57 -5.58 -0.15 0.00 -0.57 0.00 0.00 31.44 25.71 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 -4.33 1.09 -0.10 3.49 1.81 -0.20 -3.89 118.95 116.81 2jsn s ARG 36 Ca 0.00 -0.45 -0.25 0.00 -1.72 0.00 0.00 55.73 53.31 2jsn s ARG 36 Cb 0.00 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.43 2jsn s ARG 36 CO 0.00 0.26 0.77 0.08 -0.68 0.00 0.00 175.30 175.72 2jsn s VAL 37 N -0.22 4.97 0.16 3.52 1.01 -0.55 -1.29 120.40 128.01 2jsn s VAL 37 Ca 0.03 1.55 0.08 0.00 0.00 0.00 0.00 61.98 63.64 2jsn s VAL 37 Cb -0.06 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2jsn s VAL 37 CO -0.00 0.16 -0.17 -0.76 0.00 0.00 0.00 175.10 174.33 2jsn s LEU 38 N 1.34 2.45 -0.03 3.92 1.43 0.18 -1.73 118.68 126.23 2jsn s LEU 38 Ca 0.39 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 2jsn s LEU 38 Cb -0.18 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 2jsn s LEU 38 CO 0.17 -0.08 1.98 -0.69 0.23 0.00 0.00 176.35 177.95 2jsn s VAL 39 N -2.21 3.09 -0.08 -1.59 1.01 0.03 -1.06 120.40 119.59 2jsn s VAL 39 Ca 0.15 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 2jsn s VAL 39 Cb -0.05 -3.08 -0.29 0.00 0.00 0.00 0.00 36.38 32.97 2jsn s VAL 39 CO 0.06 -0.02 0.59 0.00 0.00 0.00 0.00 175.10 175.72 2jsn h ALA 40 N 11.36 0.19 -2.65 5.51 0.00 -1.12 -1.60 119.26 130.94 2jsn h ALA 40 Ca -0.47 -1.14 -0.07 0.00 0.00 0.00 0.00 54.91 53.24 2jsn h ALA 40 Cb 1.23 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 2jsn h ALA 40 CO 0.95 0.95 -0.21 -0.06 0.00 0.00 0.00 179.25 180.87 2jsn s PHE 41 N -2.53 -0.01 0.00 0.00 0.08 -1.14 -4.89 117.98 109.50 2jsn s PHE 41 Ca -0.18 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2jsn s PHE 41 Cb 0.05 0.11 0.00 0.00 -0.57 0.00 0.00 43.02 42.61 2jsn s PHE 41 CO 0.80 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 2jsn n GLY 42 N -0.16 0.54 0.30 4.36 0.00 -1.22 -1.45 105.19 107.56 2jsn n GLY 42 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2jsn n GLY 42 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jsn h GLN 43 N 0.00 0.65 0.00 1.61 3.07 -1.57 0.11 115.11 118.99 2jsn h GLN 43 Ca 0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 58.65 58.59 2jsn h GLN 43 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.43 2jsn h GLN 43 CO 0.00 0.54 -0.31 0.07 0.09 0.00 0.00 178.83 179.22 2jsn h ARG 44 N 0.65 0.00 0.04 0.06 0.11 -1.97 -2.16 114.38 111.11 2jsn h ARG 44 Ca 0.16 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.97 2jsn h ARG 44 Cb 0.13 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.23 2jsn h ARG 44 CO -0.02 0.31 -1.09 0.22 0.10 0.00 0.00 179.97 179.50 2jsn h ASP 45 N 0.00 0.83 0.00 0.08 3.58 -1.62 -3.48 116.42 115.81 2jsn h ASP 45 Ca -0.00 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2jsn h ASP 45 Cb 0.56 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2jsn h ASP 45 CO 0.04 1.50 0.00 0.61 -2.88 0.00 0.00 179.24 178.51 2jsn n GLY 46 N 1.15 0.15 3.44 -0.78 0.00 -0.10 -5.11 105.19 103.94 2jsn n GLY 46 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2jsn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jsn s ILE 47 N 0.00 4.46 0.18 -0.61 -1.09 -0.57 -4.80 121.20 118.77 2jsn s ILE 47 Ca 0.00 -0.69 -0.33 0.00 -2.23 0.00 0.00 60.65 57.40 2jsn s ILE 47 Cb 0.00 -4.68 -0.13 0.00 -1.58 0.00 0.00 42.46 36.07 2jsn s ILE 47 CO 0.00 -1.43 1.68 0.54 -1.23 0.00 0.00 174.94 174.50 2jsn n ARG 48 N 7.31 2.51 -1.61 2.79 1.74 -1.26 -1.46 116.66 126.68 2jsn n ARG 48 Ca 0.01 0.91 -0.38 0.00 -0.77 0.00 0.00 57.85 57.62 2jsn n ARG 48 Cb 0.46 -2.73 0.05 0.00 -1.02 0.00 0.00 32.46 29.22 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 3.81 3.67 -0.15 1.55 0.31 -1.26 -3.44 118.33 122.83 2jsn n VAL 49 Ca 0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2jsn n VAL 49 Cb 0.32 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 1.33 1.90 3.78 2.92 0.00 -0.60 -4.95 105.19 109.56 2jsn n GLY 50 Ca 0.14 0.00 -0.34 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 -2.87 2.73 0.03 1.61 3.76 -1.22 -4.65 115.29 114.68 2jsn s HIS 51 Ca 0.00 1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 56.44 2jsn s HIS 51 Cb 0.00 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 2jsn s HIS 51 CO 0.00 -1.44 0.21 0.00 -0.85 0.00 0.00 174.74 172.65 2jsn s ALA 52 N -1.95 3.97 0.29 -1.40 0.00 0.41 -0.79 121.76 122.29 2jsn s ALA 52 Ca 0.70 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 2jsn s ALA 52 Cb -0.22 -1.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 2jsn s ALA 52 CO 0.29 0.77 1.33 0.08 0.00 0.00 0.00 175.76 178.23 2jsn s VAL 53 N -1.41 2.83 -0.05 0.00 1.01 -0.71 -1.35 120.40 120.71 2jsn s VAL 53 Ca 0.31 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.07 2jsn s VAL 53 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2jsn s VAL 53 CO 0.23 0.16 -0.03 0.18 0.00 0.00 0.00 175.10 175.63 2jsn n LEU 54 N 1.49 2.26 -3.69 3.92 7.99 0.53 -4.83 117.00 124.68 2jsn n LEU 54 Ca 0.03 -0.02 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 2jsn n LEU 54 Cb 0.42 -0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.55 2jsn n LEU 54 CO 0.59 0.48 0.12 0.00 -1.51 0.00 0.00 177.39 177.07 2jsn s ALA 55 N -2.11 -0.78 -0.03 -1.18 0.00 -0.60 -1.41 121.76 115.64 2jsn s ALA 55 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2jsn s ALA 55 Cb 0.02 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2jsn s ALA 55 CO 0.14 -0.63 -0.04 0.42 0.00 0.00 0.00 175.76 175.65 2jsn s ILE 56 N -3.82 0.42 -0.85 0.00 1.01 -0.35 -0.70 121.20 116.90 2jsn s ILE 56 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2jsn s ILE 56 Cb 0.02 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 42.08 2jsn s ILE 56 CO -0.11 0.17 0.10 0.59 0.00 0.00 0.00 174.94 175.70 2jsn n ASN 57 N 3.68 -3.12 0.00 3.58 3.02 0.21 -0.55 115.26 122.08 2jsn n ASN 57 Ca -0.22 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2jsn n ASN 57 Cb 0.53 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 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 -0.80 2.01 3.59 7.41 0.00 -1.26 -5.02 105.19 111.12 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 -0.49 3.63 0.05 1.61 -1.94 0.28 -5.00 119.30 117.44 2jsn s MET 59 Ca 0.00 0.43 -0.33 0.00 -1.71 0.00 0.00 55.69 54.08 2jsn s MET 59 Cb 0.00 -3.95 -0.12 0.00 2.01 0.00 0.00 34.83 32.77 2jsn s MET 59 CO 0.00 -1.51 1.79 -3.47 -0.01 0.00 0.00 175.02 171.82 2jsn n ASP 60 N 8.09 3.55 -4.73 3.03 2.03 -1.26 -1.21 116.55 126.04 2jsn n ASP 60 Ca 0.10 1.00 -0.41 0.00 0.52 0.00 0.00 54.79 56.01 2jsn n ASP 60 Cb 0.49 -1.44 -0.04 0.00 -0.72 0.00 0.00 41.12 39.40 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 2.83 4.68 -1.35 5.18 -7.23 -0.50 -3.20 120.40 120.79 2jsn s VAL 61 Ca 0.86 1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 62.75 2jsn s VAL 61 Cb -0.62 -4.23 0.01 0.00 0.56 0.00 0.00 36.38 32.10 2jsn s VAL 61 CO 0.43 0.30 2.16 -3.20 -0.31 0.00 0.00 175.10 174.48 2jsn n ASN 62 N 3.04 3.74 0.00 4.85 5.15 0.11 -4.78 115.26 127.37 2jsn n ASN 62 Ca 0.01 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 2jsn n ASN 62 Cb 0.50 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 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 4.25 0.59 0.00 8.20 0.00 -1.26 -1.56 105.19 115.40 2jsn n GLY 63 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.83 -4.43 1.61 1.85 -1.25 -1.48 116.66 113.79 2jsn n ARG 64 Ca 0.00 -0.06 -0.26 0.00 -1.00 0.00 0.00 57.85 56.53 2jsn n ARG 64 Cb 0.00 -0.36 -0.11 0.00 -1.05 0.00 0.00 32.46 30.93 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 -0.14 2.28 1.15 2.89 2.02 -0.60 -1.12 117.35 123.83 2jsn s TYR 65 Ca 0.00 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 2jsn s TYR 65 Cb 0.00 -1.10 0.27 0.00 -0.40 0.00 0.00 41.96 40.73 2jsn s TYR 65 CO 0.00 0.54 1.13 0.95 -1.57 0.00 0.00 175.55 176.61 2jsn s THR 66 N -1.88 1.68 0.29 -0.71 -4.23 0.45 0.06 115.64 111.31 2jsn s THR 66 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2jsn s THR 66 Cb -0.07 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.49 2jsn s THR 66 CO 0.11 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.11 2jsn h ALA 67 N -2.40 1.46 -0.20 3.99 0.00 -1.81 -2.58 119.26 117.72 2jsn h ALA 67 Ca -0.46 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2jsn h ALA 67 Cb 1.29 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jsn h ALA 67 CO 0.37 0.44 -0.56 0.22 0.00 0.00 0.00 179.25 179.72 2jsn h ASP 68 N 1.10 0.68 0.00 0.00 3.58 -1.92 -3.48 116.42 116.37 2jsn h ASP 68 Ca 0.37 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jsn h ASP 68 Cb 0.08 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2jsn h ASP 68 CO -0.12 1.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2jsn n GLY 69 N 0.29 0.92 3.74 -0.78 0.00 -0.97 -5.12 105.19 103.27 2jsn n GLY 69 Ca -0.03 0.00 -0.41 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 0.12 1.61 -0.14 -1.26 -4.59 119.74 119.68 2jsn s LYS 70 Ca 0.00 2.43 -0.31 0.00 -1.36 0.00 0.00 55.97 56.73 2jsn s LYS 70 Cb 0.00 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.99 2jsn s LYS 70 CO 0.00 -0.53 1.50 -2.00 -0.76 0.00 0.00 175.35 173.56 2jsn s GLU 71 N -0.24 4.26 0.26 1.68 2.12 -1.26 -0.41 118.70 125.11 2jsn s GLU 71 Ca 0.62 2.22 -0.04 0.00 0.36 0.00 0.00 54.97 58.14 2jsn s GLU 71 Cb -0.45 -3.30 0.36 0.00 0.26 0.00 0.00 34.13 31.00 2jsn s GLU 71 CO 0.44 -0.57 1.91 0.28 -0.54 0.00 0.00 175.26 176.78 2jsn h VAL 72 N 4.32 1.16 -0.48 3.70 2.07 -1.45 0.66 116.25 126.23 2jsn h VAL 72 Ca -0.42 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2jsn h VAL 72 Cb 1.20 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2jsn h VAL 72 CO 0.90 0.23 0.06 -0.07 0.02 0.00 0.00 177.57 178.70 2jsn h LEU 73 N 1.24 0.78 -0.44 2.57 3.38 -1.91 -0.31 115.31 120.63 2jsn h LEU 73 Ca 0.40 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jsn h LEU 73 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jsn h LEU 73 CO -0.13 0.86 -0.12 -0.08 0.09 0.00 0.00 178.44 179.06 2jsn h GLU 74 N 0.68 0.86 0.24 1.13 4.57 -1.77 -0.62 114.58 119.66 2jsn h GLU 74 Ca 0.14 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 2jsn h GLU 74 Cb 0.42 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2jsn h GLU 74 CO 0.01 0.97 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.77 2jsn h TYR 75 N 0.69 -0.31 -0.23 0.92 3.20 -0.66 -1.77 116.97 118.81 2jsn h TYR 75 Ca 0.11 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2jsn h TYR 75 Cb 0.66 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2jsn h TYR 75 CO 0.05 -0.19 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.07 2jsn h LEU 76 N -0.33 0.44 -1.19 2.82 3.38 -1.06 -2.81 115.31 116.56 2jsn h LEU 76 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jsn h LEU 76 Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jsn h LEU 76 CO 0.05 0.68 0.00 1.23 0.09 0.00 0.00 178.44 180.49 2jsn h GLY 77 N 1.01 0.00 -6.11 0.83 0.00 -0.73 -3.44 103.07 94.63 2jsn h GLY 77 Ca 0.06 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.82 2jsn h GLY 77 CO 0.05 0.00 1.00 0.21 0.00 0.00 0.00 176.54 177.79 2jsn s ASN 78 N -5.11 6.59 0.56 0.19 2.47 -0.70 -4.92 114.94 114.03 2jsn s ASN 78 Ca 0.02 1.16 0.34 0.00 0.42 0.00 0.00 52.86 54.81 2jsn s ASN 78 Cb 0.09 -2.54 1.55 0.00 -1.45 0.00 0.00 41.25 38.90 2jsn s ASN 78 CO 0.48 -1.15 2.06 1.55 -3.72 0.00 0.00 177.10 176.32 2jsn h PRO 79 N 9.63 0.00 0.00 0.43 0.13 -1.89 -2.15 132.00 138.15 2jsn h PRO 79 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jsn h PRO 79 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jsn h PRO 79 CO 1.04 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 2jsn n ALA 80 N -2.13 1.46 -2.33 -0.56 0.00 -1.26 -3.23 120.51 112.45 2jsn n ALA 80 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2jsn n ALA 80 Cb 0.26 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.71 0.95 -0.21 0.00 6.94 -0.81 -4.95 115.26 115.47 2jsn n ASN 81 Ca 0.02 -2.18 0.01 0.00 -0.02 0.00 0.00 54.58 52.40 2jsn n ASN 81 Cb 0.13 -0.31 0.09 0.00 -2.36 0.00 0.00 39.78 37.33 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 0.85 -0.12 -2.72 -2.53 0.05 -1.53 -3.40 116.97 107.57 2jsn h TYR 82 Ca -0.18 0.05 -0.55 0.00 0.05 0.00 0.00 58.73 58.10 2jsn h TYR 82 Cb 1.74 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.62 2jsn h TYR 82 CO 0.22 -0.20 1.01 -1.25 -1.05 0.00 0.00 178.16 176.89 2jsn s PRO 83 N -6.17 4.20 0.25 4.88 0.04 -1.26 -4.16 135.00 132.78 2jsn s PRO 83 Ca -0.14 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2jsn s PRO 83 Cb 0.19 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 2jsn s PRO 83 CO 0.74 -0.78 0.34 0.14 0.04 0.00 0.00 177.00 177.48 2jsn s VAL 84 N 3.70 0.00 -0.04 -0.36 -7.23 -0.21 -5.02 120.40 111.24 2jsn s VAL 84 Ca 0.67 -1.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 2jsn s VAL 84 Cb -0.30 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2jsn s VAL 84 CO 0.25 0.00 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.35 2jsn s SER 85 N -3.12 3.00 -0.01 4.85 0.01 -1.26 -0.74 113.70 116.43 2jsn s SER 85 Ca 0.31 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.11 2jsn s SER 85 Cb 0.02 -0.64 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 2jsn s SER 85 CO 0.13 0.27 -0.10 -0.63 0.41 0.00 0.00 173.24 173.32 2jsn s ILE 86 N -0.32 0.78 -0.11 1.44 1.01 -0.35 -0.61 121.20 123.04 2jsn s ILE 86 Ca 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2jsn s ILE 86 Cb -0.12 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 2jsn s ILE 86 CO 0.02 0.23 -0.02 -0.60 0.00 0.00 0.00 174.94 174.57 2jsn s ARG 87 N -0.08 3.24 0.25 2.79 3.52 0.12 -1.75 118.95 127.05 2jsn s ARG 87 Ca 0.01 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.25 2jsn s ARG 87 Cb -0.05 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 2jsn s ARG 87 CO -0.00 0.52 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.78 2jsn s PHE 88 N -0.38 2.03 0.28 5.12 0.08 0.18 -0.34 117.98 124.94 2jsn s PHE 88 Ca 0.07 -0.46 -0.19 0.00 0.12 0.00 0.00 56.93 56.46 2jsn s PHE 88 Cb -0.12 -0.93 0.06 0.00 -0.57 0.00 0.00 43.02 41.46 2jsn s PHE 88 CO 0.02 0.54 0.91 0.20 -0.10 0.00 0.00 175.22 176.79 2jsn s GLY 89 N -3.43 0.21 0.46 4.36 0.00 -0.46 -1.60 107.32 106.87 2jsn s GLY 89 Ca 0.27 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 2jsn s GLY 89 CO 0.11 0.97 1.13 0.50 0.00 0.00 0.00 173.10 175.81 2jsn s ARG 90 N -2.34 3.77 0.90 2.90 3.00 -1.26 -0.44 118.95 125.48 2jsn s ARG 90 Ca 0.18 1.68 -0.11 0.00 0.00 0.00 0.00 55.73 57.49 2jsn s ARG 90 Cb -0.04 -2.36 0.13 0.00 0.00 0.00 0.00 34.95 32.69 2jsn s ARG 90 CO 0.08 -0.52 1.11 -1.25 0.00 0.00 0.00 175.30 174.73 2jsn s PRO 91 N -2.78 1.22 0.98 3.54 0.04 -1.26 -4.73 135.00 132.01 2jsn s PRO 91 Ca 0.64 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2jsn s PRO 91 Cb -0.26 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jsn s PRO 91 CO 0.31 -2.40 0.00 0.54 0.04 0.00 0.00 177.00 175.49 2jsn n ARG 92 N -4.05 -1.09 -3.95 4.56 1.74 -1.26 -5.05 116.66 107.56 2jsn n ARG 92 Ca 0.09 0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 57.80 2jsn n ARG 92 Cb 0.53 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2jsn n ARG 92 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2jsn s LEU 93 N 0.00 0.26 0.64 0.55 2.34 -1.26 -5.06 118.68 116.16 2jsn s LEU 93 Ca 0.00 -1.01 0.38 0.00 0.06 0.00 0.00 54.13 53.56 2jsn s LEU 93 Cb 0.00 2.13 2.14 0.00 -0.56 0.00 0.00 46.19 49.90 2jsn s LEU 93 CO 0.00 -1.33 2.29 0.71 -1.06 0.00 0.00 176.35 176.96 2jsn h THR 94 N 2.12 0.20 0.00 5.48 1.35 -2.02 -1.34 112.91 118.71 2jsn h THR 94 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2jsn h THR 94 Cb 1.25 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2jsn h THR 94 CO 0.35 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.42 2jsn n SER 95 N -3.37 0.60 0.00 5.36 7.64 -1.26 -5.37 113.62 117.23 2jsn n SER 95 Ca -0.03 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2jsn n SER 95 Cb 0.11 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83