#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 -1.35 0.01 -5.12 0.00 -1.26 -5.06 105.19 92.41 2jsn n GLY 2 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2jsn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jsn n HIS 3 N 0.48 0.00 -3.69 1.61 -0.00 -1.26 -5.02 115.22 107.34 2jsn n HIS 3 Ca 0.00 -0.25 -0.28 0.00 -0.00 0.00 0.00 57.72 57.19 2jsn n HIS 3 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.99 29.96 2jsn n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsn n HIS 4 N -0.26 -1.87 -3.71 4.41 -0.00 -1.26 -4.95 115.22 107.58 2jsn n HIS 4 Ca 0.00 0.64 -0.10 0.00 -0.00 0.00 0.00 57.72 58.26 2jsn n HIS 4 Cb 0.39 -3.14 -0.05 0.00 -0.00 0.00 0.00 29.99 27.19 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 -3.09 -0.08 0.15 4.41 2.46 -1.26 -5.19 115.29 112.69 2jsn s HIS 5 Ca 0.54 -0.27 -0.15 0.00 0.47 0.00 0.00 55.06 55.66 2jsn s HIS 5 Cb -0.29 0.16 0.02 0.00 -0.13 0.00 0.00 32.58 32.35 2jsn s HIS 5 CO 0.67 -0.66 0.40 -3.38 -2.47 0.00 0.00 174.74 169.30 2jsn s HIS 6 N -3.83 -0.06 0.10 3.88 0.00 -1.26 -5.12 115.29 108.99 2jsn s HIS 6 Ca 0.04 -0.28 -0.32 0.00 -3.00 0.00 0.00 55.06 51.51 2jsn s HIS 6 Cb 0.03 0.22 -0.11 0.00 -4.00 0.00 0.00 32.58 28.72 2jsn s HIS 6 CO -0.11 -0.75 1.84 -2.39 -1.00 0.00 0.00 174.74 172.33 2jsn n HIS 7 N -0.24 2.56 1.11 0.38 -0.00 -1.26 -4.88 115.22 112.89 2jsn n HIS 7 Ca -0.13 -0.14 0.14 0.00 -0.00 0.00 0.00 57.72 57.59 2jsn n HIS 7 Cb 0.63 -2.72 0.60 0.00 -0.00 0.00 0.00 29.99 28.50 2jsn n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsn n HIS 8 N 5.81 0.00 -1.16 -1.40 -0.00 -1.26 -4.26 115.22 112.96 2jsn n HIS 8 Ca 0.19 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.55 2jsn n HIS 8 Cb 0.36 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 29.92 2jsn n HIS 8 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2jsn n LEU 9 N -1.42 5.70 0.00 2.41 0.00 -1.26 -3.29 117.00 119.13 2jsn n LEU 9 Ca 0.09 -3.39 0.00 0.00 0.00 0.00 0.00 56.01 52.71 2jsn n LEU 9 Cb 0.32 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.45 2jsn n LEU 9 CO 0.27 0.66 0.00 -0.67 0.00 0.00 0.00 177.39 177.65 2jsn n ASP 10 N 5.49 0.00 -4.70 1.96 2.03 -1.26 -5.12 116.55 114.94 2jsn n ASP 10 Ca 0.53 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.53 2jsn n ASP 10 Cb 0.28 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.82 2jsn n ASP 10 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jsn s SER 11 N -1.26 3.54 0.00 1.67 0.01 -1.21 -4.98 113.70 111.47 2jsn s SER 11 Ca 0.00 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2jsn s SER 11 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jsn s SER 11 CO 0.00 -2.69 0.00 0.00 0.41 0.00 0.00 173.24 170.96 2jsn n TYR 12 N -3.74 -0.41 -0.20 2.43 4.11 -1.26 -4.92 117.16 113.17 2jsn n TYR 12 Ca 0.12 0.00 0.26 0.00 -0.00 0.00 0.00 57.90 58.28 2jsn n TYR 12 Cb 0.52 0.35 0.67 0.00 -0.00 0.00 0.00 39.34 40.88 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jsn h ALA 13 N 0.00 2.69 0.00 -3.48 0.00 -1.94 -1.00 119.26 115.52 2jsn h ALA 13 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jsn h ALA 13 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jsn h ALA 13 CO 0.00 -0.96 0.00 -2.30 0.00 0.00 0.00 179.25 175.99 2jsn n PRO 14 N -4.34 0.03 -1.69 0.00 -0.02 -1.26 -4.76 135.00 122.96 2jsn n PRO 14 Ca 0.19 0.37 -0.53 0.00 -2.02 0.00 0.00 63.50 61.51 2jsn n PRO 14 Cb 0.91 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.63 1.64 -3.86 -0.52 3.00 -0.38 -4.97 116.66 109.95 2jsn n ARG 15 Ca 0.02 0.60 -0.09 0.00 -0.00 0.00 0.00 57.85 58.38 2jsn n ARG 15 Cb 0.12 -2.36 -0.07 0.00 0.00 0.00 0.00 32.46 30.14 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jsn s ALA 16 N 3.58 -0.23 0.87 5.13 0.00 -1.26 -3.98 121.76 125.86 2jsn s ALA 16 Ca 0.95 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 2jsn s ALA 16 Cb -0.89 0.48 0.11 0.00 0.00 0.00 0.00 23.12 22.82 2jsn s ALA 16 CO 0.58 -0.50 1.12 -1.21 0.00 0.00 0.00 175.76 175.75 2jsn s GLU 17 N -3.80 1.51 0.19 0.00 0.41 0.16 -4.95 118.70 112.22 2jsn s GLU 17 Ca 0.04 0.45 -0.07 0.00 -0.41 0.00 0.00 54.97 54.98 2jsn s GLU 17 Cb 0.05 -1.87 0.09 0.00 -1.78 0.00 0.00 34.13 30.62 2jsn s GLU 17 CO -0.11 -1.98 1.58 0.00 -0.49 0.00 0.00 175.26 174.27 2jsn h ALA 18 N -1.34 0.77 -0.40 5.21 0.00 -1.98 -3.41 119.26 118.11 2jsn h ALA 18 Ca -0.49 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2jsn h ALA 18 Cb 1.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jsn h ALA 18 CO 0.61 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.90 2jsn n GLU 19 N -4.11 0.00 -3.87 0.00 -0.58 -1.26 -4.89 120.64 105.93 2jsn n GLU 19 Ca -0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2jsn n GLU 19 Cb 0.45 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.31 2jsn n GLU 19 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2jsn s LYS 20 N 0.00 1.95 0.29 3.49 0.00 -1.26 -5.10 119.74 119.11 2jsn s LYS 20 Ca 0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 55.97 54.44 2jsn s LYS 20 Cb 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 37.83 38.32 2jsn s LYS 20 CO 0.00 -0.89 0.95 0.99 0.00 0.00 0.00 175.35 176.40 2jsn s THR 21 N -3.24 4.12 0.34 3.79 2.01 -1.26 -3.59 115.64 117.81 2jsn s THR 21 Ca 0.16 1.89 0.09 0.00 0.31 0.00 0.00 61.69 64.14 2jsn s THR 21 Cb -0.05 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2jsn s THR 21 CO 0.10 0.27 0.01 -0.36 -0.69 0.00 0.00 174.62 173.95 2jsn s PHE 22 N -1.45 2.54 0.19 4.92 0.40 0.34 -4.98 117.98 119.95 2jsn s PHE 22 Ca 0.47 -0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 2jsn s PHE 22 Cb -0.22 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2jsn s PHE 22 CO 0.27 0.47 0.30 -1.12 0.70 0.00 0.00 175.22 175.84 2jsn s SER 23 N -3.72 0.04 0.29 1.36 0.01 -1.26 -1.54 113.70 108.88 2jsn s SER 23 Ca 0.35 -1.00 0.10 0.00 1.31 0.00 0.00 55.95 56.71 2jsn s SER 23 Cb 0.00 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 2jsn s SER 23 CO 0.19 -0.94 -0.08 -0.31 0.41 0.00 0.00 173.24 172.51 2jsn s TYR 24 N -4.02 2.51 0.91 2.43 1.51 -1.23 -4.38 117.35 115.08 2jsn s TYR 24 Ca 0.23 -0.31 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 2jsn s TYR 24 Cb 0.03 -1.17 0.14 0.00 -0.11 0.00 0.00 41.96 40.85 2jsn s TYR 24 CO 0.05 0.63 1.13 -1.25 -1.11 0.00 0.00 175.55 175.00 2jsn s PRO 25 N -3.62 1.03 0.02 -1.71 0.04 -1.26 -5.01 135.00 124.49 2jsn s PRO 25 Ca 0.32 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2jsn s PRO 25 Cb -0.05 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 2jsn s PRO 25 CO 0.18 -2.58 -0.03 -1.17 0.04 0.00 0.00 177.00 173.44 2jsn s LEU 26 N -6.55 2.24 0.35 -3.56 2.96 -1.26 -5.06 118.68 107.79 2jsn s LEU 26 Ca 0.66 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2jsn s LEU 26 Cb -0.22 0.08 0.66 0.00 0.50 0.00 0.00 46.19 47.20 2jsn s LEU 26 CO 0.58 -0.28 1.83 -0.78 -1.32 0.00 0.00 176.35 176.37 2jsn h ASP 27 N 4.67 0.20 -4.00 3.68 3.58 -1.96 -3.44 116.42 119.15 2jsn h ASP 27 Ca -0.32 -0.06 -0.53 0.00 0.42 0.00 0.00 57.03 56.53 2jsn h ASP 27 Cb 1.21 -0.05 0.11 0.00 1.72 0.00 0.00 39.33 42.31 2jsn h ASP 27 CO 0.41 0.47 0.60 -0.76 -2.88 0.00 0.00 179.24 177.09 2jsn s LEU 28 N -8.50 4.02 -0.02 2.28 1.43 -1.26 -4.18 118.68 112.44 2jsn s LEU 28 Ca -0.05 2.68 -0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2jsn s LEU 28 Cb 0.15 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.28 2jsn s LEU 28 CO 0.75 -1.20 0.04 -0.22 0.23 0.00 0.00 176.35 175.94 2jsn s LEU 29 N -3.02 1.24 0.20 1.79 1.98 -0.15 -4.96 118.68 115.78 2jsn s LEU 29 Ca 0.64 0.06 0.09 0.00 -2.89 0.00 0.00 54.13 52.03 2jsn s LEU 29 Cb -0.38 -0.00 -0.04 0.00 0.66 0.00 0.00 46.19 46.42 2jsn s LEU 29 CO 0.47 -0.10 -0.06 -0.76 -1.89 0.00 0.00 176.35 174.01 2jsn s LEU 30 N 0.84 3.07 0.03 -0.68 1.43 -1.26 -0.66 118.68 121.45 2jsn s LEU 30 Ca -0.07 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2jsn s LEU 30 Cb -0.10 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2jsn s LEU 30 CO -0.03 0.08 -0.10 -1.59 0.23 0.00 0.00 176.35 174.94 2jsn s LYS 31 N -3.02 0.70 0.06 1.70 0.00 -0.16 -4.81 119.74 114.22 2jsn s LYS 31 Ca 0.27 -0.63 -0.30 0.00 0.00 0.00 0.00 55.97 55.30 2jsn s LYS 31 Cb -0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 37.83 37.06 2jsn s LYS 31 CO 0.17 0.15 1.14 -1.17 0.00 0.00 0.00 175.35 175.64 2jsn s LEU 32 N -1.05 4.38 -0.16 2.77 0.20 -1.26 -0.74 118.68 122.83 2jsn s LEU 32 Ca -0.02 1.95 -0.09 0.00 0.69 0.00 0.00 54.13 56.67 2jsn s LEU 32 Cb -0.07 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.16 2jsn s LEU 32 CO 0.01 -0.40 0.38 -2.28 -0.29 0.00 0.00 176.35 173.77 2jsn s HIS 33 N 0.90 -0.55 -1.48 5.38 2.46 -0.25 -4.94 115.29 116.81 2jsn s HIS 33 Ca 0.56 1.20 -0.05 0.00 0.47 0.00 0.00 55.06 57.24 2jsn s HIS 33 Cb -0.28 0.23 0.04 0.00 -0.13 0.00 0.00 32.58 32.44 2jsn s HIS 33 CO 0.30 -0.32 0.51 -3.47 -2.47 0.00 0.00 174.74 169.28 2jsn n ASP 34 N 4.24 -1.09 -0.12 9.88 2.03 -1.26 -0.82 116.55 129.41 2jsn n ASP 34 Ca -0.24 -1.01 -0.02 0.00 0.52 0.00 0.00 54.79 54.05 2jsn n ASP 34 Cb 0.55 -2.99 -0.01 0.00 -0.72 0.00 0.00 41.12 37.96 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 -4.42 -1.85 -3.94 -0.67 -0.58 -1.26 -4.98 120.64 102.95 2jsn n GLU 35 Ca -0.22 0.53 -0.27 0.00 -0.42 0.00 0.00 57.16 56.78 2jsn n GLU 35 Cb 0.64 -4.94 -0.01 0.00 -0.57 0.00 0.00 31.44 26.56 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 -2.03 2.24 -0.07 3.49 0.52 0.00 -0.48 118.95 122.61 2jsn s ARG 36 Ca 0.00 -2.07 0.04 0.00 -0.52 0.00 0.00 55.73 53.18 2jsn s ARG 36 Cb 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.41 2jsn s ARG 36 CO 0.00 -0.65 -0.20 0.14 0.02 0.00 0.00 175.30 174.61 2jsn s VAL 37 N -2.80 1.71 0.03 3.52 -7.23 -1.26 -1.09 120.40 113.29 2jsn s VAL 37 Ca 0.31 -0.84 0.09 0.00 -1.81 0.00 0.00 61.98 59.74 2jsn s VAL 37 Cb -0.02 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2jsn s VAL 37 CO 0.20 0.48 -0.26 -0.76 -0.31 0.00 0.00 175.10 174.45 2jsn s LEU 38 N 0.29 2.14 -0.42 1.32 1.02 0.08 -2.36 118.68 120.75 2jsn s LEU 38 Ca -0.13 -0.56 -0.27 0.00 0.02 0.00 0.00 54.13 53.19 2jsn s LEU 38 Cb -0.16 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 2jsn s LEU 38 CO 0.06 0.27 1.95 -0.69 0.02 0.00 0.00 176.35 177.96 2jsn s VAL 39 N -0.76 3.32 0.03 -1.59 1.01 0.58 -0.98 120.40 122.00 2jsn s VAL 39 Ca 0.11 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.47 2jsn s VAL 39 Cb -0.10 -3.57 -0.20 0.00 0.00 0.00 0.00 36.38 32.51 2jsn s VAL 39 CO 0.01 -0.46 0.99 0.00 0.00 0.00 0.00 175.10 175.65 2jsn h ALA 40 N 14.73 0.57 -2.54 5.51 0.00 -1.20 -1.00 119.26 135.33 2jsn h ALA 40 Ca -0.31 -1.14 -0.11 0.00 0.00 0.00 0.00 54.91 53.36 2jsn h ALA 40 Cb 1.19 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.95 2jsn h ALA 40 CO 1.10 1.36 -0.27 0.12 0.00 0.00 0.00 179.25 181.56 2jsn s PHE 41 N -2.68 -0.13 0.00 0.00 5.36 -0.99 -4.92 117.98 114.62 2jsn s PHE 41 Ca -0.02 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2jsn s PHE 41 Cb 0.09 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 2jsn s PHE 41 CO 0.82 -0.45 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 2jsn n GLY 42 N 0.91 0.00 0.00 13.12 0.00 -1.26 -0.97 105.19 116.98 2jsn n GLY 42 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2jsn n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jsn n GLN 43 N 0.00 0.29 -0.02 1.61 7.27 -1.26 -1.09 117.38 124.19 2jsn n GLN 43 Ca 0.00 0.10 -0.03 0.00 0.07 0.00 0.00 57.00 57.14 2jsn n GLN 43 Cb 0.00 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.13 2jsn n GLN 43 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jsn n ARG 44 N -1.21 0.96 0.19 3.69 5.12 -1.26 -4.63 116.66 119.53 2jsn n ARG 44 Ca 0.09 0.02 0.06 0.00 -1.93 0.00 0.00 57.85 56.08 2jsn n ARG 44 Cb 0.10 -1.10 0.35 0.00 -1.16 0.00 0.00 32.46 30.65 2jsn n ARG 44 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2jsn h ASP 45 N 0.00 0.00 0.00 0.55 3.58 -1.91 -3.48 116.42 115.16 2jsn h ASP 45 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2jsn h ASP 45 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2jsn h ASP 45 CO -0.01 0.37 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2jsn n GLY 46 N 0.16 3.42 0.00 -0.78 0.00 -0.25 -5.12 105.19 102.63 2jsn n GLY 46 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2jsn n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jsn n ILE 47 N 0.00 0.00 -2.46 -0.61 0.13 -1.24 -4.16 119.36 111.01 2jsn n ILE 47 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 2jsn n ILE 47 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 38.78 2jsn n ILE 47 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2jsn s ARG 48 N -1.00 3.57 0.89 9.51 3.52 -1.26 -4.87 118.95 129.31 2jsn s ARG 48 Ca 0.00 -1.56 -0.12 0.00 -0.13 0.00 0.00 55.73 53.92 2jsn s ARG 48 Cb 0.00 -5.42 0.09 0.00 -1.56 0.00 0.00 34.95 28.05 2jsn s ARG 48 CO 0.00 -2.59 0.88 1.33 -0.81 0.00 0.00 175.30 174.11 2jsn n VAL 49 N 6.83 0.56 -0.07 7.11 0.24 -1.26 -3.69 118.33 128.04 2jsn n VAL 49 Ca 0.44 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2jsn n VAL 49 Cb 0.47 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jsn n GLY 50 N 0.81 0.58 3.71 7.63 0.00 -0.38 -5.02 105.19 112.53 2jsn n GLY 50 Ca 0.11 0.00 -0.32 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 -2.26 2.01 0.15 1.61 3.76 -1.24 -4.62 115.29 114.70 2jsn s HIS 51 Ca 0.00 1.69 0.09 0.00 -0.15 0.00 0.00 55.06 56.69 2jsn s HIS 51 Cb 0.00 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 2jsn s HIS 51 CO 0.00 -2.43 -0.20 0.00 -0.85 0.00 0.00 174.74 171.26 2jsn s ALA 52 N -2.62 2.03 0.30 -1.40 0.00 0.21 -0.31 121.76 119.98 2jsn s ALA 52 Ca 0.66 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 2jsn s ALA 52 Cb -0.22 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 2jsn s ALA 52 CO 0.55 0.32 1.43 0.08 0.00 0.00 0.00 175.76 178.14 2jsn s VAL 53 N -1.66 2.47 0.00 0.00 1.01 -0.99 -1.00 120.40 120.22 2jsn s VAL 53 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2jsn s VAL 53 Cb -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2jsn s VAL 53 CO 0.06 0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.43 2jsn n LEU 54 N 1.51 1.91 -3.85 3.92 7.99 0.34 -4.81 117.00 124.01 2jsn n LEU 54 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.94 2jsn n LEU 54 Cb 0.40 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.63 2jsn n LEU 54 CO 0.61 0.32 -0.09 0.00 -1.51 0.00 0.00 177.39 176.72 2jsn s ALA 55 N -1.93 -0.30 -0.00 -1.18 0.00 -0.56 -1.40 121.76 116.38 2jsn s ALA 55 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2jsn s ALA 55 Cb 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 2jsn s ALA 55 CO 0.00 -0.45 -0.04 0.42 0.00 0.00 0.00 175.76 175.69 2jsn s ILE 56 N -3.29 0.36 -1.66 0.00 1.01 -0.48 -0.99 121.20 116.15 2jsn s ILE 56 Ca 0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 2jsn s ILE 56 Cb 0.02 -0.31 0.19 0.00 0.01 0.00 0.00 42.46 42.37 2jsn s ILE 56 CO -0.08 0.11 0.60 0.59 0.00 0.00 0.00 174.94 176.15 2jsn n ASN 57 N 3.02 -2.28 0.00 3.58 3.02 0.58 -0.98 115.26 122.20 2jsn n ASN 57 Ca -0.13 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2jsn n ASN 57 Cb 0.58 -1.94 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 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 -1.11 0.64 3.09 7.41 0.00 -1.26 -5.03 105.19 108.92 2jsn n GLY 58 Ca 0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.29 2.74 0.14 1.61 -1.94 -0.15 -5.10 119.30 116.30 2jsn s MET 59 Ca 0.00 -0.73 -0.34 0.00 -1.71 0.00 0.00 55.69 52.91 2jsn s MET 59 Cb 0.00 -2.39 -0.14 0.00 2.01 0.00 0.00 34.83 34.31 2jsn s MET 59 CO 0.00 -0.21 1.61 -3.47 -0.01 0.00 0.00 175.02 172.95 2jsn n ASP 60 N 4.65 3.18 -4.83 3.03 -0.08 -1.26 -1.38 116.55 119.85 2jsn n ASP 60 Ca -0.20 1.07 -0.36 0.00 -1.51 0.00 0.00 54.79 53.80 2jsn n ASP 60 Cb 0.50 -1.43 -0.06 0.00 2.34 0.00 0.00 41.12 42.47 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 1.23 4.78 -1.49 5.18 -7.23 -0.49 -4.11 120.40 118.27 2jsn s VAL 61 Ca 0.80 0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 61.83 2jsn s VAL 61 Cb -0.67 -3.78 -0.06 0.00 0.56 0.00 0.00 36.38 32.44 2jsn s VAL 61 CO 0.39 0.26 2.66 -3.20 -0.31 0.00 0.00 175.10 174.90 2jsn n ASN 62 N 0.87 6.94 0.00 4.85 5.15 0.73 -4.90 115.26 128.91 2jsn n ASN 62 Ca -0.05 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 2jsn n ASN 62 Cb 0.52 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 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 3.76 2.09 0.05 8.20 0.00 -1.26 -1.41 105.19 116.63 2jsn n GLY 63 Ca 0.68 0.36 0.13 0.00 0.00 0.00 0.00 46.02 47.18 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 3.61 1.07 -4.56 1.61 1.85 0.37 -4.51 116.66 116.10 2jsn n ARG 64 Ca 0.00 -0.11 -0.29 0.00 -1.00 0.00 0.00 57.85 56.45 2jsn n ARG 64 Cb 0.00 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 29.88 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 -1.99 2.33 1.15 2.89 2.02 -0.50 -0.68 117.35 122.57 2jsn s TYR 65 Ca 0.38 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.52 2jsn s TYR 65 Cb 0.18 -1.31 0.26 0.00 -0.40 0.00 0.00 41.96 40.69 2jsn s TYR 65 CO 0.29 0.27 1.11 0.95 -1.57 0.00 0.00 175.55 176.60 2jsn s THR 66 N -0.98 1.72 0.29 -0.71 -4.23 0.31 -0.19 115.64 111.85 2jsn s THR 66 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2jsn s THR 66 Cb -0.10 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.51 2jsn s THR 66 CO 0.05 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.07 2jsn h ALA 67 N -2.39 1.43 -0.17 3.99 0.00 -1.87 -2.79 119.26 117.46 2jsn h ALA 67 Ca -0.48 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2jsn h ALA 67 Cb 1.30 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jsn h ALA 67 CO 0.41 0.49 -0.63 0.22 0.00 0.00 0.00 179.25 179.74 2jsn h ASP 68 N 1.12 0.70 0.00 0.00 3.58 -1.94 -3.48 116.42 116.40 2jsn h ASP 68 Ca 0.35 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2jsn h ASP 68 Cb -0.01 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2jsn h ASP 68 CO -0.10 1.15 0.00 0.61 -2.88 0.00 0.00 179.24 178.02 2jsn n GLY 69 N 0.42 1.16 3.77 -0.78 0.00 -1.05 -5.12 105.19 103.59 2jsn n GLY 69 Ca -0.04 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 4.17 0.00 1.61 -0.14 -1.26 -4.66 119.74 119.46 2jsn s LYS 70 Ca 0.00 2.41 -0.30 0.00 -1.36 0.00 0.00 55.97 56.72 2jsn s LYS 70 Cb 0.00 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.12 2jsn s LYS 70 CO 0.00 -0.42 1.40 -2.00 -0.76 0.00 0.00 175.35 173.57 2jsn s GLU 71 N -2.01 4.28 0.42 1.68 2.12 -1.26 -0.53 118.70 123.40 2jsn s GLU 71 Ca 0.52 1.97 0.09 0.00 0.36 0.00 0.00 54.97 57.91 2jsn s GLU 71 Cb -0.43 -3.57 0.91 0.00 0.26 0.00 0.00 34.13 31.30 2jsn s GLU 71 CO 0.58 -0.58 2.05 -0.39 -0.54 0.00 0.00 175.26 176.39 2jsn h VAL 72 N 4.91 1.10 -0.60 3.70 -1.51 -1.22 -0.65 116.25 121.98 2jsn h VAL 72 Ca -0.38 -0.24 -0.05 0.00 -1.23 0.00 0.00 66.70 64.81 2jsn h VAL 72 Cb 1.18 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 2jsn h VAL 72 CO 0.90 0.10 0.18 -0.07 -1.23 0.00 0.00 177.57 177.46 2jsn h LEU 73 N 0.43 0.88 -0.18 4.19 3.38 -1.91 0.71 115.31 122.81 2jsn h LEU 73 Ca 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2jsn h LEU 73 Cb 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2jsn h LEU 73 CO -0.02 0.86 -0.10 -0.08 0.09 0.00 0.00 178.44 179.19 2jsn h GLU 74 N 0.85 0.39 -0.45 1.13 4.81 -1.74 -0.69 114.58 118.89 2jsn h GLU 74 Ca 0.19 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2jsn h GLU 74 Cb 0.30 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2jsn h GLU 74 CO -0.00 0.70 0.24 -0.92 -0.73 0.00 0.00 179.01 178.29 2jsn h TYR 75 N 0.07 0.44 0.06 0.92 3.20 -0.84 -0.02 116.97 120.79 2jsn h TYR 75 Ca 0.04 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.69 2jsn h TYR 75 Cb 0.59 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jsn h TYR 75 CO 0.07 0.23 -1.06 -0.07 -1.64 0.00 0.00 178.16 175.69 2jsn h LEU 76 N 0.47 0.35 -0.89 2.82 3.38 -0.92 -3.27 115.31 117.26 2jsn h LEU 76 Ca 0.19 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2jsn h LEU 76 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jsn h LEU 76 CO -0.12 1.20 -0.51 1.23 0.09 0.00 0.00 178.44 180.33 2jsn h GLY 77 N 1.74 0.13 -6.25 0.83 0.00 -0.75 -3.44 103.07 95.32 2jsn h GLY 77 Ca -0.09 -0.14 -0.64 0.00 0.00 0.00 0.00 47.33 46.46 2jsn h GLY 77 CO 0.17 0.13 1.21 -2.01 0.00 0.00 0.00 176.54 176.03 2jsn n ASN 78 N -3.94 3.01 0.22 0.19 5.15 -0.05 -4.87 115.26 114.97 2jsn n ASN 78 Ca -0.02 0.76 0.15 0.00 -0.60 0.00 0.00 54.58 54.87 2jsn n ASN 78 Cb 0.54 -1.34 0.65 0.00 -0.53 0.00 0.00 39.78 39.09 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 10.48 0.00 0.00 1.20 0.13 -1.91 -1.13 132.00 140.78 2jsn h PRO 79 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jsn h PRO 79 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jsn h PRO 79 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 2jsn n ALA 80 N -1.94 1.55 -2.11 -0.56 0.00 -1.26 -3.44 120.51 112.75 2jsn n ALA 80 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2jsn n ALA 80 Cb 0.23 -1.26 0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.76 1.75 -0.05 0.00 5.15 -0.43 -4.89 115.26 115.03 2jsn n ASN 81 Ca 0.02 -2.97 -0.08 0.00 -0.60 0.00 0.00 54.58 50.96 2jsn n ASN 81 Cb 0.16 -0.42 -0.01 0.00 -0.53 0.00 0.00 39.78 38.98 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 1.27 -0.34 -3.09 1.20 -1.99 -1.62 -3.40 116.97 109.01 2jsn h TYR 82 Ca -0.07 0.03 -0.55 0.00 2.00 0.00 0.00 58.73 60.14 2jsn h TYR 82 Cb 1.43 0.19 -0.02 0.00 2.00 0.00 0.00 36.73 40.32 2jsn h TYR 82 CO 0.52 -0.20 0.70 -1.25 -0.00 0.00 0.00 178.16 177.92 2jsn s PRO 83 N -6.16 4.35 -0.16 4.88 0.04 -1.26 -3.55 135.00 133.14 2jsn s PRO 83 Ca -0.14 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 2jsn s PRO 83 Cb 0.12 -3.55 0.05 0.00 0.04 0.00 0.00 34.50 31.15 2jsn s PRO 83 CO 0.69 -0.44 0.40 0.14 0.04 0.00 0.00 177.00 177.82 2jsn s VAL 84 N 2.20 -0.01 0.05 -0.36 -7.23 -0.59 -5.00 120.40 109.45 2jsn s VAL 84 Ca 0.56 0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.52 2jsn s VAL 84 Cb -0.25 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2jsn s VAL 84 CO 0.22 0.02 0.77 -0.44 -0.31 0.00 0.00 175.10 175.36 2jsn s SER 85 N 0.73 7.22 0.01 4.85 0.01 -1.26 -0.50 113.70 124.75 2jsn s SER 85 Ca -0.04 1.46 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 2jsn s SER 85 Cb -0.05 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2jsn s SER 85 CO -0.05 0.01 -0.00 -0.63 0.41 0.00 0.00 173.24 172.98 2jsn s ILE 86 N -0.05 0.08 -0.01 1.44 1.01 -1.24 -0.31 121.20 122.13 2jsn s ILE 86 Ca 0.39 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.45 2jsn s ILE 86 Cb -0.21 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 2jsn s ILE 86 CO 0.23 -0.36 -0.20 -0.13 0.00 0.00 0.00 174.94 174.48 2jsn s ARG 87 N -1.06 1.59 0.18 2.79 0.52 -0.16 -4.08 118.95 118.73 2jsn s ARG 87 Ca -0.12 -0.75 0.11 0.00 -0.52 0.00 0.00 55.73 54.46 2jsn s ARG 87 Cb -0.07 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2jsn s ARG 87 CO -0.01 0.42 -0.24 -0.06 0.02 0.00 0.00 175.30 175.44 2jsn s PHE 88 N -0.52 2.23 0.39 -0.53 0.40 -1.26 -0.50 117.98 118.19 2jsn s PHE 88 Ca 0.08 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2jsn s PHE 88 Cb -0.08 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.38 2jsn s PHE 88 CO -0.00 0.46 0.75 0.41 0.70 0.00 0.00 175.22 177.53 2jsn n GLY 89 N 0.35 1.17 3.75 4.36 0.00 -0.17 -0.66 105.19 113.99 2jsn n GLY 89 Ca -0.13 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.23 2.23 0.99 1.61 1.81 -1.26 -0.62 118.95 121.49 2jsn s ARG 90 Ca 0.19 1.30 -0.13 0.00 -1.72 0.00 0.00 55.73 55.36 2jsn s ARG 90 Cb -0.04 -1.89 0.08 0.00 -0.45 0.00 0.00 34.95 32.65 2jsn s ARG 90 CO 0.14 -1.68 0.47 -2.30 -0.68 0.00 0.00 175.30 171.24 2jsn n PRO 91 N -3.30 -0.68 0.27 3.54 -0.02 -1.26 -4.70 135.00 128.85 2jsn n PRO 91 Ca 0.10 -0.16 0.17 0.00 -2.02 0.00 0.00 63.50 61.59 2jsn n PRO 91 Cb 0.52 -1.92 0.93 0.00 -0.02 0.00 0.00 33.50 33.02 2jsn n PRO 91 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jsn h ARG 92 N -1.77 0.00 0.00 -0.52 2.47 -1.95 0.95 114.38 113.56 2jsn h ARG 92 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2jsn h ARG 92 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2jsn h ARG 92 CO 0.37 0.00 0.16 1.25 0.56 0.00 0.00 179.97 182.31 2jsn h LEU 93 N 0.00 0.00 -1.42 3.04 5.85 -1.94 -3.38 115.31 117.45 2jsn h LEU 93 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 2jsn h LEU 93 Cb 0.10 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.25 2jsn h LEU 93 CO 0.00 0.00 -0.57 0.41 -0.34 0.00 0.00 178.44 177.94 2jsn n THR 94 N -2.50 -3.79 -0.69 1.05 -1.04 0.33 -4.90 114.28 102.73 2jsn n THR 94 Ca -0.02 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.05 61.56 2jsn n THR 94 Cb 0.20 -4.07 -0.03 0.00 -1.82 0.00 0.00 70.33 64.61 2jsn n THR 94 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jsn n SER 95 N -2.41 4.51 0.00 8.00 7.64 -1.26 -5.07 113.62 125.04 2jsn n SER 95 Ca -0.14 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2jsn n SER 95 Cb 0.60 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83