#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 1.64 4.00 3.17 0.00 -1.26 -4.74 105.19 108.00 2jsn n GLY 2 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -1.76 -1.38 1.61 -0.00 -1.26 -4.93 115.22 107.50 2jsn n HIS 3 Ca 0.00 0.71 -0.33 0.00 -0.00 0.00 0.00 57.72 58.09 2jsn n HIS 3 Cb 0.00 -2.87 0.09 0.00 -0.00 0.00 0.00 29.99 27.21 2jsn n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 4 N -3.16 2.14 0.11 4.41 0.09 -1.26 -5.07 115.29 112.55 2jsn s HIS 4 Ca 0.66 1.62 -0.15 0.00 -0.00 0.00 0.00 55.06 57.18 2jsn s HIS 4 Cb -0.36 -3.37 0.03 0.00 -0.00 0.00 0.00 32.58 28.88 2jsn s HIS 4 CO 0.81 -2.41 0.37 -1.58 -0.00 0.00 0.00 174.74 171.94 2jsn s HIS 5 N -2.21 -0.16 0.05 1.40 5.04 -1.26 -5.19 115.29 112.97 2jsn s HIS 5 Ca 0.71 -0.15 -0.17 0.00 -1.54 0.00 0.00 55.06 53.91 2jsn s HIS 5 Cb -0.26 0.21 0.03 0.00 0.04 0.00 0.00 32.58 32.61 2jsn s HIS 5 CO 0.47 -0.67 0.40 -1.58 -2.34 0.00 0.00 174.74 171.02 2jsn s HIS 6 N -3.69 -0.24 0.17 3.88 5.65 -1.26 -5.19 115.29 114.61 2jsn s HIS 6 Ca 0.02 0.16 -0.15 0.00 0.25 0.00 0.00 55.06 55.34 2jsn s HIS 6 Cb 0.02 0.21 0.02 0.00 -1.18 0.00 0.00 32.58 31.65 2jsn s HIS 6 CO -0.11 -0.58 0.44 -3.38 -0.65 0.00 0.00 174.74 170.46 2jsn s HIS 7 N -2.64 -0.02 1.16 3.88 -0.00 -1.26 -5.18 115.29 111.22 2jsn s HIS 7 Ca -0.04 -0.32 -0.15 0.00 -0.00 0.00 0.00 55.06 54.54 2jsn s HIS 7 Cb -0.00 0.27 0.27 0.00 -0.00 0.00 0.00 32.58 33.11 2jsn s HIS 7 CO -0.04 -0.83 1.05 -1.58 -0.00 0.00 0.00 174.74 173.35 2jsn s HIS 8 N -3.88 1.18 -0.23 0.38 5.04 -1.26 -4.91 115.29 111.61 2jsn s HIS 8 Ca 0.10 0.87 -0.40 0.00 -1.54 0.00 0.00 55.06 54.08 2jsn s HIS 8 Cb 0.01 -3.21 -0.17 0.00 0.04 0.00 0.00 32.58 29.25 2jsn s HIS 8 CO -0.04 -3.71 1.62 -0.11 -2.34 0.00 0.00 174.74 170.16 2jsn n LEU 9 N -4.74 1.97 -0.08 8.88 7.94 -1.26 -4.85 117.00 124.86 2jsn n LEU 9 Ca 0.07 1.10 0.15 0.00 -1.11 0.00 0.00 56.01 56.22 2jsn n LEU 9 Cb 0.57 -1.10 0.56 0.00 0.53 0.00 0.00 43.42 43.98 2jsn n LEU 9 CO 0.53 -0.67 1.19 -0.78 -1.11 0.00 0.00 177.39 176.55 2jsn h ASP 10 N 6.20 0.27 0.38 1.96 3.58 -2.01 -1.28 116.42 125.52 2jsn h ASP 10 Ca -0.47 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2jsn h ASP 10 Cb 1.33 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 2jsn h ASP 10 CO 0.91 0.15 -0.06 0.28 -2.88 0.00 0.00 179.24 177.65 2jsn h SER 11 N 0.29 0.00 -2.38 2.28 0.02 -1.91 -3.46 113.55 108.39 2jsn h SER 11 Ca 0.29 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.79 2jsn h SER 11 Cb 0.76 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.31 2jsn h SER 11 CO -0.07 0.06 -0.21 -0.47 -1.14 0.00 0.00 176.83 175.00 2jsn s TYR 12 N -4.11 3.22 0.09 3.45 5.04 -0.49 -3.49 117.35 121.07 2jsn s TYR 12 Ca -0.03 0.06 -0.25 0.00 -2.44 0.00 0.00 57.07 54.41 2jsn s TYR 12 Cb 0.12 -2.12 0.08 0.00 0.35 0.00 0.00 41.96 40.39 2jsn s TYR 12 CO 0.53 -0.15 0.71 0.00 -1.34 0.00 0.00 175.55 175.30 2jsn s ALA 13 N -2.37 -1.69 0.60 3.97 0.00 -1.11 -4.81 121.76 116.35 2jsn s ALA 13 Ca 0.46 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 2jsn s ALA 13 Cb -0.10 0.65 -0.08 0.00 0.00 0.00 0.00 23.12 23.59 2jsn s ALA 13 CO 0.35 -0.71 0.50 -2.30 0.00 0.00 0.00 175.76 173.60 2jsn n PRO 14 N -0.24 0.46 -0.88 0.00 -0.02 -1.26 -4.77 135.00 128.29 2jsn n PRO 14 Ca -0.14 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 2jsn n PRO 14 Cb 0.63 -1.70 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 2jsn n PRO 14 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jsn n ARG 15 N -0.11 -0.17 -1.18 -0.52 1.85 -1.26 -4.42 116.66 110.84 2jsn n ARG 15 Ca 0.11 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.65 2jsn n ARG 15 Cb 0.48 -2.06 0.11 0.00 -1.05 0.00 0.00 32.46 29.94 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jsn s ALA 16 N -2.34 2.00 0.64 2.89 0.00 -1.26 -4.47 121.76 119.22 2jsn s ALA 16 Ca 0.63 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.07 2jsn s ALA 16 Cb -0.25 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2jsn s ALA 16 CO 0.62 -2.05 0.95 -1.21 0.00 0.00 0.00 175.76 174.07 2jsn s GLU 17 N -4.50 2.53 0.88 0.00 2.02 -0.53 -4.99 118.70 114.12 2jsn s GLU 17 Ca 0.66 -0.19 -0.10 0.00 0.02 0.00 0.00 54.97 55.36 2jsn s GLU 17 Cb -0.22 -2.24 0.12 0.00 0.10 0.00 0.00 34.13 31.90 2jsn s GLU 17 CO 0.52 -0.97 1.13 0.00 0.02 0.00 0.00 175.26 175.96 2jsn s ALA 18 N -3.10 1.64 0.43 5.21 0.00 -1.26 -4.42 121.76 120.26 2jsn s ALA 18 Ca 0.57 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 2jsn s ALA 18 Cb -0.11 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 2jsn s ALA 18 CO 0.44 -2.51 1.42 -2.00 0.00 0.00 0.00 175.76 173.12 2jsn s GLU 19 N -4.72 3.79 -0.02 0.00 2.12 -1.26 -4.65 118.70 113.95 2jsn s GLU 19 Ca 0.65 2.41 -0.03 0.00 0.36 0.00 0.00 54.97 58.36 2jsn s GLU 19 Cb -0.21 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.46 2jsn s GLU 19 CO 0.58 -0.73 0.08 0.21 -0.54 0.00 0.00 175.26 174.85 2jsn s LYS 20 N -2.37 0.17 0.42 4.30 2.20 -0.40 -4.96 119.74 119.09 2jsn s LYS 20 Ca 0.59 -0.02 -0.24 0.00 -0.36 0.00 0.00 55.97 55.94 2jsn s LYS 20 Cb -0.43 0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 35.88 2jsn s LYS 20 CO 0.56 -0.03 1.12 0.95 -0.36 0.00 0.00 175.35 177.60 2jsn s THR 21 N -0.28 3.36 0.05 3.43 -4.23 -1.26 -0.73 115.64 115.97 2jsn s THR 21 Ca -0.03 1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 2jsn s THR 21 Cb -0.02 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2jsn s THR 21 CO 0.00 0.03 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.73 2jsn s PHE 22 N -1.54 0.50 0.33 3.99 0.40 0.05 -4.91 117.98 116.80 2jsn s PHE 22 Ca 0.59 -1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 55.73 2jsn s PHE 22 Cb -0.27 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 42.92 2jsn s PHE 22 CO 0.33 -0.36 0.73 -1.12 0.70 0.00 0.00 175.22 175.50 2jsn s SER 23 N -2.79 -0.05 0.06 1.36 0.01 -1.26 -1.51 113.70 109.52 2jsn s SER 23 Ca 0.05 -0.95 -0.03 0.00 1.31 0.00 0.00 55.95 56.34 2jsn s SER 23 Cb 0.06 0.78 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 2jsn s SER 23 CO -0.09 -1.51 0.02 -0.31 0.41 0.00 0.00 173.24 171.76 2jsn s TYR 24 N -3.07 0.43 0.71 2.43 2.02 -1.26 -4.43 117.35 114.18 2jsn s TYR 24 Ca 0.15 -0.94 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 2jsn s TYR 24 Cb -0.05 -0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.23 2jsn s TYR 24 CO 0.10 -0.41 1.18 -1.25 -1.57 0.00 0.00 175.55 173.60 2jsn s PRO 25 N -3.81 2.32 0.07 -1.71 0.04 -1.26 -5.01 135.00 125.64 2jsn s PRO 25 Ca 0.06 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.53 2jsn s PRO 25 Cb 0.07 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.80 2jsn s PRO 25 CO -0.10 -1.67 0.55 -1.17 0.04 0.00 0.00 177.00 174.64 2jsn s LEU 26 N -5.06 -0.21 -1.17 -3.56 2.96 -1.26 -5.05 118.68 105.34 2jsn s LEU 26 Ca 0.72 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.71 2jsn s LEU 26 Cb -0.27 2.26 -0.09 0.00 0.50 0.00 0.00 46.19 48.59 2jsn s LEU 26 CO 0.44 -0.78 2.62 -0.67 -1.32 0.00 0.00 176.35 176.64 2jsn n ASP 27 N 0.22 6.73 -3.69 3.68 2.03 -1.26 -4.74 116.55 119.52 2jsn n ASP 27 Ca -0.18 -2.44 -0.11 0.00 0.52 0.00 0.00 54.79 52.58 2jsn n ASP 27 Cb 0.61 -1.33 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jsn s LEU 28 N 0.12 -0.10 0.01 -2.67 1.98 -1.26 -4.29 118.68 112.47 2jsn s LEU 28 Ca 0.56 1.00 0.00 0.00 -2.89 0.00 0.00 54.13 52.80 2jsn s LEU 28 Cb 0.16 1.59 -0.01 0.00 0.66 0.00 0.00 46.19 48.58 2jsn s LEU 28 CO -0.04 -0.19 -0.03 -0.22 -1.89 0.00 0.00 176.35 173.98 2jsn s LEU 29 N 1.02 2.13 0.17 -0.68 2.96 -0.14 -4.97 118.68 119.17 2jsn s LEU 29 Ca -0.06 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2jsn s LEU 29 Cb -0.06 0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 2jsn s LEU 29 CO -0.09 -0.15 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.85 2jsn s LEU 30 N -0.82 2.45 0.13 -0.68 1.43 -1.26 -0.52 118.68 119.41 2jsn s LEU 30 Ca -0.08 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2jsn s LEU 30 Cb -0.06 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 2jsn s LEU 30 CO -0.00 -0.05 0.14 -1.59 0.23 0.00 0.00 176.35 175.08 2jsn s LYS 31 N -2.86 0.98 -0.21 1.70 0.00 0.13 -4.73 119.74 114.76 2jsn s LYS 31 Ca 0.16 -1.31 -0.12 0.00 0.00 0.00 0.00 55.97 54.70 2jsn s LYS 31 Cb -0.05 0.29 -0.05 0.00 0.00 0.00 0.00 37.83 38.02 2jsn s LYS 31 CO 0.07 -0.31 0.22 -1.17 0.00 0.00 0.00 175.35 174.16 2jsn s LEU 32 N -3.00 4.17 -0.06 2.77 2.96 -1.26 -0.65 118.68 123.61 2jsn s LEU 32 Ca 0.19 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 2jsn s LEU 32 Cb 0.06 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2jsn s LEU 32 CO -0.00 0.08 0.16 -1.00 -1.32 0.00 0.00 176.35 174.26 2jsn s HIS 33 N 0.79 -0.18 -1.51 5.38 3.76 -0.35 -4.96 115.29 118.22 2jsn s HIS 33 Ca 0.12 0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 55.44 2jsn s HIS 33 Cb -0.13 0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.63 2jsn s HIS 33 CO 0.03 -0.10 0.32 -3.47 -0.85 0.00 0.00 174.74 170.67 2jsn n ASP 34 N 3.21 -0.25 -2.48 1.40 2.03 -1.26 -0.88 116.55 118.32 2jsn n ASP 34 Ca -0.15 -1.12 -0.18 0.00 0.52 0.00 0.00 54.79 53.86 2jsn n ASP 34 Cb 0.58 -2.44 -0.01 0.00 -0.72 0.00 0.00 41.12 38.53 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 -4.45 -2.11 -4.10 -0.67 -0.58 -1.26 -4.99 120.64 102.47 2jsn n GLU 35 Ca -0.26 0.86 -0.15 0.00 -0.42 0.00 0.00 57.16 57.20 2jsn n GLU 35 Cb 0.66 -5.52 -0.12 0.00 -0.57 0.00 0.00 31.44 25.90 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 -5.11 0.59 -0.18 3.49 1.81 -0.06 -3.39 118.95 116.10 2jsn s ARG 36 Ca 0.03 -0.74 -0.18 0.00 -1.72 0.00 0.00 55.73 53.12 2jsn s ARG 36 Cb -0.01 -0.43 -0.04 0.00 -0.45 0.00 0.00 34.95 34.03 2jsn s ARG 36 CO 0.04 0.09 0.48 0.08 -0.68 0.00 0.00 175.30 175.30 2jsn s VAL 37 N -1.22 5.14 0.15 3.52 1.01 -1.22 -1.21 120.40 126.57 2jsn s VAL 37 Ca -0.07 0.90 0.09 0.00 0.00 0.00 0.00 61.98 62.90 2jsn s VAL 37 Cb -0.09 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2jsn s VAL 37 CO 0.01 0.23 -0.21 -0.76 0.00 0.00 0.00 175.10 174.36 2jsn s LEU 38 N 1.35 2.38 -0.02 3.92 1.02 0.17 -1.29 118.68 126.22 2jsn s LEU 38 Ca 0.23 -0.80 -0.30 0.00 0.02 0.00 0.00 54.13 53.28 2jsn s LEU 38 Cb -0.15 -0.95 -0.06 0.00 0.02 0.00 0.00 46.19 45.05 2jsn s LEU 38 CO 0.09 0.04 1.69 -0.69 0.02 0.00 0.00 176.35 177.51 2jsn s VAL 39 N -1.62 3.41 -0.09 -1.59 1.01 0.19 -0.69 120.40 121.03 2jsn s VAL 39 Ca 0.14 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2jsn s VAL 39 Cb -0.08 -3.37 -0.26 0.00 0.00 0.00 0.00 36.38 32.66 2jsn s VAL 39 CO 0.06 -0.04 0.48 0.00 0.00 0.00 0.00 175.10 175.61 2jsn h ALA 40 N 9.42 0.45 -2.64 5.51 0.00 -1.10 -2.17 119.26 128.74 2jsn h ALA 40 Ca -0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 54.91 53.12 2jsn h ALA 40 Cb 1.19 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 19.45 2jsn h ALA 40 CO 0.95 1.32 0.24 0.12 0.00 0.00 0.00 179.25 181.87 2jsn s PHE 41 N -2.57 -0.55 0.00 0.00 5.36 -1.06 -4.93 117.98 114.23 2jsn s PHE 41 Ca -0.18 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.34 2jsn s PHE 41 Cb 0.07 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.26 2jsn s PHE 41 CO 0.79 -0.75 0.00 0.41 -1.46 0.00 0.00 175.22 174.22 2jsn n GLY 42 N 0.01 -0.38 3.73 13.12 0.00 -1.26 -0.97 105.19 119.44 2jsn n GLY 42 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2jsn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsn n GLN 43 N 0.00 2.17 0.13 1.61 0.00 -1.26 -4.88 117.38 115.16 2jsn n GLN 43 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 57.00 57.75 2jsn n GLN 43 Cb 0.00 -2.49 0.17 0.00 0.00 0.00 0.00 30.24 27.91 2jsn n GLN 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2jsn h ARG 44 N 2.35 0.00 0.00 2.61 9.65 -1.98 -3.43 114.38 123.57 2jsn h ARG 44 Ca -0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2jsn h ARG 44 Cb 1.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2jsn h ARG 44 CO 0.61 0.63 0.00 -3.47 2.80 0.00 0.00 179.97 180.54 2jsn n ASP 45 N -3.80 0.00 0.00 -3.80 2.03 -1.26 -5.06 116.55 104.66 2jsn n ASP 45 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2jsn n ASP 45 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2jsn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsn n GLY 46 N -0.32 0.00 1.14 0.27 0.00 -1.26 -5.04 105.19 99.99 2jsn n GLY 46 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.09 0.61 0.00 -0.61 -5.35 -1.26 -3.25 119.36 109.41 2jsn n ILE 47 Ca 0.00 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2jsn n ILE 47 Cb 0.00 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.05 2jsn n ILE 47 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2jsn n ARG 48 N 0.94 0.00 -1.73 6.28 3.00 -1.26 -5.00 116.66 118.89 2jsn n ARG 48 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 2jsn n ARG 48 Cb 0.26 -0.47 0.02 0.00 0.00 0.00 0.00 32.46 32.27 2jsn n ARG 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jsn n VAL 49 N -1.87 2.92 0.00 5.15 0.24 -1.20 -2.26 118.33 121.31 2jsn n VAL 49 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2jsn n VAL 49 Cb 0.08 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 30.78 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 0.73 2.36 3.75 7.63 0.00 -0.82 -4.96 105.19 113.90 2jsn n GLY 50 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 2.38 -0.01 1.61 4.02 -0.96 -4.55 115.29 115.16 2jsn s HIS 51 Ca 0.00 1.58 0.06 0.00 1.02 0.00 0.00 55.06 57.72 2jsn s HIS 51 Cb 0.00 -3.26 -0.02 0.00 -1.02 0.00 0.00 32.58 28.29 2jsn s HIS 51 CO 0.00 -2.05 -0.19 0.00 1.02 0.00 0.00 174.74 173.52 2jsn s ALA 52 N -2.32 1.56 0.49 -1.40 0.00 0.32 -0.64 121.76 119.77 2jsn s ALA 52 Ca 0.68 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 2jsn s ALA 52 Cb -0.23 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 2jsn s ALA 52 CO 0.45 0.38 1.24 0.08 0.00 0.00 0.00 175.76 177.91 2jsn s VAL 53 N -0.48 2.70 0.00 0.00 1.01 -0.41 -1.31 120.40 121.90 2jsn s VAL 53 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2jsn s VAL 53 Cb -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2jsn s VAL 53 CO -0.00 -0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.27 2jsn n LEU 54 N -0.66 0.77 -3.69 3.92 4.77 0.23 -4.80 117.00 117.54 2jsn n LEU 54 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2jsn n LEU 54 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2jsn n LEU 54 CO 0.50 0.13 0.10 0.00 -1.33 0.00 0.00 177.39 176.79 2jsn s ALA 55 N -1.49 -0.76 -0.03 -1.18 0.00 -0.51 -1.42 121.76 116.36 2jsn s ALA 55 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2jsn s ALA 55 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2jsn s ALA 55 CO 0.00 -0.61 -0.04 0.42 0.00 0.00 0.00 175.76 175.53 2jsn s ILE 56 N -3.81 0.48 -0.30 0.00 1.01 -0.42 -0.77 121.20 117.40 2jsn s ILE 56 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2jsn s ILE 56 Cb 0.03 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2jsn s ILE 56 CO -0.12 0.20 0.00 -0.46 0.00 0.00 0.00 174.94 174.56 2jsn n ASN 57 N 3.82 -1.19 0.00 3.58 0.23 0.31 -0.59 115.26 121.43 2jsn n ASN 57 Ca -0.23 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2jsn n ASN 57 Cb 0.52 -1.32 0.00 0.00 -2.08 0.00 0.00 39.78 36.90 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 -0.27 1.51 3.58 4.83 0.00 -1.26 -5.04 105.19 108.53 2jsn n GLY 58 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.94 3.29 0.02 1.61 -1.94 0.25 -4.98 119.30 116.60 2jsn s MET 59 Ca 0.00 0.64 -0.32 0.00 -1.71 0.00 0.00 55.69 54.29 2jsn s MET 59 Cb 0.00 -4.14 -0.11 0.00 2.01 0.00 0.00 34.83 32.59 2jsn s MET 59 CO 0.00 -1.94 1.86 -3.47 -0.01 0.00 0.00 175.02 171.46 2jsn n ASP 60 N 9.82 3.72 -4.72 3.03 2.03 -1.26 -1.30 116.55 127.87 2jsn n ASP 60 Ca 0.15 0.97 -0.42 0.00 0.52 0.00 0.00 54.79 56.01 2jsn n ASP 60 Cb 0.49 -1.46 -0.03 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 3.51 4.38 -1.14 5.18 -7.23 -0.51 -3.52 120.40 121.07 2jsn s VAL 61 Ca 0.88 1.83 -0.19 0.00 -1.81 0.00 0.00 61.98 62.68 2jsn s VAL 61 Cb -0.58 -4.17 -0.05 0.00 0.56 0.00 0.00 36.38 32.14 2jsn s VAL 61 CO 0.44 0.21 1.99 -3.20 -0.31 0.00 0.00 175.10 174.23 2jsn n ASN 62 N 3.36 3.43 0.00 4.85 5.15 0.12 -4.75 115.26 127.41 2jsn n ASN 62 Ca 0.05 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 2jsn n ASN 62 Cb 0.48 -1.49 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 4.77 0.86 0.04 8.20 0.00 -1.26 -1.37 105.19 116.42 2jsn n GLY 63 Ca 0.49 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.88 -4.41 1.61 1.85 -1.22 -3.41 116.66 111.96 2jsn n ARG 64 Ca 0.00 -0.88 -0.26 0.00 -1.00 0.00 0.00 57.85 55.71 2jsn n ARG 64 Cb 0.00 -0.67 -0.11 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.37 2.22 1.15 2.89 2.02 -0.47 -0.71 117.35 124.08 2jsn s TYR 65 Ca 0.01 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 2jsn s TYR 65 Cb 0.01 -1.09 0.26 0.00 -0.40 0.00 0.00 41.96 40.74 2jsn s TYR 65 CO 0.00 0.49 1.10 0.95 -1.57 0.00 0.00 175.55 176.53 2jsn s THR 66 N -1.80 1.72 0.31 -0.71 -4.23 0.47 0.14 115.64 111.54 2jsn s THR 66 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2jsn s THR 66 Cb -0.07 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2jsn s THR 66 CO 0.10 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.13 2jsn h ALA 67 N -2.40 1.50 -0.25 3.99 0.00 -1.82 -2.51 119.26 117.76 2jsn h ALA 67 Ca -0.48 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 2jsn h ALA 67 Cb 1.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jsn h ALA 67 CO 0.41 0.42 -0.47 0.22 0.00 0.00 0.00 179.25 179.83 2jsn h ASP 68 N 1.02 0.73 0.00 0.00 3.58 -1.92 -3.48 116.42 116.35 2jsn h ASP 68 Ca 0.33 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2jsn h ASP 68 Cb 0.03 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2jsn h ASP 68 CO -0.09 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 2jsn n GLY 69 N 0.16 0.97 3.75 -0.78 0.00 -0.95 -5.12 105.19 103.22 2jsn n GLY 69 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.32 0.11 1.61 -0.14 -1.26 -4.61 119.74 119.76 2jsn s LYS 70 Ca 0.00 2.22 -0.31 0.00 -1.36 0.00 0.00 55.97 56.52 2jsn s LYS 70 Cb 0.00 -3.12 -0.08 0.00 -1.68 0.00 0.00 37.83 32.95 2jsn s LYS 70 CO 0.00 -0.33 1.53 -2.00 -0.76 0.00 0.00 175.35 173.79 2jsn s GLU 71 N -0.65 4.25 0.27 1.68 2.12 -1.26 -0.40 118.70 124.71 2jsn s GLU 71 Ca 0.56 2.23 -0.01 0.00 0.36 0.00 0.00 54.97 58.11 2jsn s GLU 71 Cb -0.40 -3.35 0.46 0.00 0.26 0.00 0.00 34.13 31.10 2jsn s GLU 71 CO 0.44 -0.59 1.87 0.28 -0.54 0.00 0.00 175.26 176.72 2jsn h VAL 72 N 4.40 1.04 -0.63 3.70 2.07 -1.24 0.81 116.25 126.40 2jsn h VAL 72 Ca -0.42 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2jsn h VAL 72 Cb 1.20 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jsn h VAL 72 CO 0.90 0.20 0.07 -0.07 0.02 0.00 0.00 177.57 178.70 2jsn h LEU 73 N 1.12 1.03 -0.26 2.57 3.38 -1.91 -0.22 115.31 121.03 2jsn h LEU 73 Ca 0.45 -0.27 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 2jsn h LEU 73 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jsn h LEU 73 CO -0.20 1.04 -0.68 -0.33 0.09 0.00 0.00 178.44 178.36 2jsn h GLU 74 N 0.97 0.77 -0.36 1.13 5.08 -1.73 -0.51 114.58 119.93 2jsn h GLU 74 Ca 0.19 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2jsn h GLU 74 Cb 0.47 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jsn h GLU 74 CO 0.02 1.19 0.23 -0.92 -1.00 0.00 0.00 179.01 178.52 2jsn h TYR 75 N 0.55 0.43 -0.01 4.33 3.20 -0.58 -0.09 116.97 124.80 2jsn h TYR 75 Ca -0.02 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 2jsn h TYR 75 Cb 1.29 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2jsn h TYR 75 CO 0.07 0.26 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.92 2jsn h LEU 76 N 0.46 0.36 -1.18 2.82 3.38 -1.09 -3.27 115.31 116.80 2jsn h LEU 76 Ca 0.14 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2jsn h LEU 76 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jsn h LEU 76 CO -0.05 1.07 -0.36 1.23 0.09 0.00 0.00 178.44 180.42 2jsn h GLY 77 N 1.59 0.09 -6.09 0.83 0.00 -0.64 -3.41 103.07 95.45 2jsn h GLY 77 Ca -0.05 -0.08 -0.56 0.00 0.00 0.00 0.00 47.33 46.64 2jsn h GLY 77 CO 0.14 0.07 1.30 0.21 0.00 0.00 0.00 176.54 178.27 2jsn s ASN 78 N -6.91 6.07 0.34 0.19 2.47 -0.09 -4.90 114.94 112.11 2jsn s ASN 78 Ca -0.03 2.16 0.26 0.00 0.42 0.00 0.00 52.86 55.67 2jsn s ASN 78 Cb 0.14 -2.52 1.07 0.00 -1.45 0.00 0.00 41.25 38.49 2jsn s ASN 78 CO 0.74 -1.43 1.79 1.55 -3.72 0.00 0.00 177.10 176.03 2jsn h PRO 79 N 12.25 0.00 0.00 0.43 0.13 -1.90 -0.60 132.00 142.32 2jsn h PRO 79 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jsn h PRO 79 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jsn h PRO 79 CO 0.96 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 2jsn n ALA 80 N -1.86 1.25 -2.20 -0.56 0.00 -1.26 -2.49 120.51 113.39 2jsn n ALA 80 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.67 2jsn n ALA 80 Cb 0.26 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.43 2jsn n ALA 80 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jsn n ASN 81 N -2.27 1.13 0.25 0.00 5.15 -0.26 -4.87 115.26 114.39 2jsn n ASN 81 Ca -0.00 -2.49 -0.16 0.00 -0.60 0.00 0.00 54.58 51.33 2jsn n ASN 81 Cb 0.10 -0.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.92 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 0.89 -0.54 -2.88 1.20 -1.99 -1.16 -3.43 116.97 109.07 2jsn h TYR 82 Ca -0.15 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 60.01 2jsn h TYR 82 Cb 1.62 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 40.51 2jsn h TYR 82 CO 0.31 -0.31 0.89 -1.25 -0.00 0.00 0.00 178.16 177.79 2jsn s PRO 83 N -5.94 4.25 0.27 4.88 0.04 -1.26 -4.16 135.00 133.08 2jsn s PRO 83 Ca -0.16 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 2jsn s PRO 83 Cb 0.04 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 2jsn s PRO 83 CO 0.62 -0.66 0.44 0.14 0.04 0.00 0.00 177.00 177.59 2jsn s VAL 84 N 3.11 0.00 -0.01 -0.36 -7.23 -0.57 -5.02 120.40 110.32 2jsn s VAL 84 Ca 0.61 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 2jsn s VAL 84 Cb -0.27 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 2jsn s VAL 84 CO 0.22 0.00 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.38 2jsn s SER 85 N -3.08 2.17 0.04 4.85 0.01 -1.26 -0.77 113.70 115.66 2jsn s SER 85 Ca 0.26 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2jsn s SER 85 Cb 0.00 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2jsn s SER 85 CO 0.12 0.23 -0.10 -0.63 0.41 0.00 0.00 173.24 173.26 2jsn s ILE 86 N -0.43 0.79 -0.10 1.44 1.01 0.09 -0.53 121.20 123.47 2jsn s ILE 86 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2jsn s ILE 86 Cb -0.07 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2jsn s ILE 86 CO -0.01 -0.19 -0.23 -0.13 0.00 0.00 0.00 174.94 174.38 2jsn s ARG 87 N -1.32 3.02 0.18 2.79 0.52 0.05 -1.28 118.95 122.91 2jsn s ARG 87 Ca -0.04 -0.87 -0.14 0.00 -0.52 0.00 0.00 55.73 54.16 2jsn s ARG 87 Cb -0.08 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.09 2jsn s ARG 87 CO 0.01 0.21 0.43 -0.59 0.02 0.00 0.00 175.30 175.38 2jsn s PHE 88 N 0.28 0.06 -0.18 -0.53 -0.71 -1.26 -0.60 117.98 115.04 2jsn s PHE 88 Ca -0.17 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 2jsn s PHE 88 Cb -0.17 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 2jsn s PHE 88 CO 0.08 -0.84 0.00 0.41 -1.34 0.00 0.00 175.22 173.53 2jsn n GLY 89 N -0.29 -0.92 3.77 1.99 0.00 -0.43 -1.45 105.19 107.87 2jsn n GLY 89 Ca -0.09 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.07 3.99 1.03 1.61 3.00 -1.26 -0.52 118.95 126.72 2jsn s ARG 90 Ca 0.00 2.21 -0.12 0.00 0.00 0.00 0.00 55.73 57.82 2jsn s ARG 90 Cb 0.00 -2.79 0.21 0.00 0.00 0.00 0.00 34.95 32.37 2jsn s ARG 90 CO 0.00 -0.49 1.07 -1.25 0.00 0.00 0.00 175.30 174.63 2jsn s PRO 91 N -2.20 0.15 -1.57 3.54 0.04 -1.26 -3.81 135.00 129.89 2jsn s PRO 91 Ca 0.56 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 2jsn s PRO 91 Cb -0.39 -1.68 0.10 0.00 0.04 0.00 0.00 34.50 32.57 2jsn s PRO 91 CO 0.51 -3.00 0.95 -2.13 0.04 0.00 0.00 177.00 173.36 2jsn n ARG 92 N -4.41 -5.05 -0.28 4.56 3.00 -1.26 -4.72 116.66 108.50 2jsn n ARG 92 Ca 0.05 0.55 0.11 0.00 -0.00 0.00 0.00 57.85 58.57 2jsn n ARG 92 Cb 0.55 -5.41 0.36 0.00 0.00 0.00 0.00 32.46 27.96 2jsn n ARG 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsn h LEU 93 N -1.97 0.68 -7.37 6.15 5.85 -1.83 -2.95 115.31 113.88 2jsn h LEU 93 Ca -0.58 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 2jsn h LEU 93 Cb 1.38 -0.10 -0.16 0.00 0.37 0.00 0.00 40.66 42.15 2jsn h LEU 93 CO 0.70 0.35 -0.09 -0.89 -0.34 0.00 0.00 178.44 178.17 2jsn s THR 94 N -5.71 0.06 0.32 1.05 2.01 -1.25 -4.12 115.64 108.00 2jsn s THR 94 Ca -0.10 -0.46 0.37 0.00 0.31 0.00 0.00 61.69 61.81 2jsn s THR 94 Cb 0.22 -0.99 0.39 0.00 0.01 0.00 0.00 72.50 72.13 2jsn s THR 94 CO 0.79 -0.26 2.13 0.28 -0.69 0.00 0.00 174.62 176.88 2jsn h SER 95 N 2.88 0.00 0.00 3.53 0.02 -1.83 -3.49 113.55 114.65 2jsn h SER 95 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2jsn h SER 95 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jsn h SER 95 CO 0.44 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.93