#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jw2 n HIS 2 N 0.00 -2.28 -3.85 1.12 -0.00 -1.26 -4.95 115.22 104.00 2jw2 n HIS 2 Ca 0.00 0.92 -0.32 0.00 0.46 0.00 0.00 57.72 58.78 2jw2 n HIS 2 Cb 0.00 -2.91 -0.05 0.00 -0.12 0.00 0.00 29.99 26.92 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jw2 s HIS 3 N -2.84 3.53 0.25 1.57 4.02 -1.26 -5.11 115.29 115.46 2jw2 s HIS 3 Ca 0.04 0.38 -0.00 0.00 1.02 0.00 0.00 55.06 56.50 2jw2 s HIS 3 Cb -0.01 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.58 29.67 2jw2 s HIS 3 CO 0.87 0.59 0.24 -3.38 1.02 0.00 0.00 174.74 174.08 2jw2 s HIS 4 N -1.44 1.23 -0.08 1.40 0.00 -1.26 -5.05 115.29 110.08 2jw2 s HIS 4 Ca 0.32 -1.38 -0.06 0.00 -3.00 0.00 0.00 55.06 50.94 2jw2 s HIS 4 Cb -0.13 -0.48 0.02 0.00 -4.00 0.00 0.00 32.58 28.00 2jw2 s HIS 4 CO 0.23 -0.79 0.12 0.72 -1.00 0.00 0.00 174.74 174.02 2jw2 n HIS 5 N -0.41 -4.13 -0.09 0.38 8.25 -1.26 -5.00 115.22 112.97 2jw2 n HIS 5 Ca 0.03 2.43 -0.09 0.00 -0.26 0.00 0.00 57.72 59.83 2jw2 n HIS 5 Cb 0.64 -3.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.16 2jw2 n HIS 5 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jw2 n HIS 6 N 1.85 0.49 -2.81 4.41 -0.00 -1.26 -5.11 115.22 112.79 2jw2 n HIS 6 Ca -0.21 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jw2 n HIS 6 Cb 0.33 -0.70 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 2jw2 n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jw2 n HIS 7 N -4.51 -0.54 -1.35 4.41 -0.00 -1.26 -5.18 115.22 106.78 2jw2 n HIS 7 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2jw2 n HIS 7 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2jw2 n HIS 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jw2 n SER 8 N -0.54 0.00 -4.92 0.26 2.88 -1.26 -5.09 113.62 104.94 2jw2 n SER 8 Ca 0.00 -0.26 -0.28 0.00 -1.33 0.00 0.00 58.87 57.00 2jw2 n SER 8 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jw2 n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jw2 s SER 9 N -1.00 6.41 0.00 -3.46 0.01 -1.26 -4.99 113.70 109.41 2jw2 s SER 9 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2jw2 s SER 9 Cb 0.00 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2jw2 s SER 9 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2jw2 n GLY 10 N -0.77 0.71 3.35 3.44 0.00 -1.26 -5.01 105.19 105.65 2jw2 n GLY 10 Ca -0.04 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 2jw2 n GLY 10 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jw2 s LEU 11 N 0.00 5.80 -0.46 0.99 2.34 -1.26 -4.94 118.68 121.15 2jw2 s LEU 11 Ca 0.00 -1.57 0.07 0.00 0.06 0.00 0.00 54.13 52.69 2jw2 s LEU 11 Cb 0.00 -2.25 0.25 0.00 -0.56 0.00 0.00 46.19 43.63 2jw2 s LEU 11 CO 0.00 -0.92 0.59 0.52 -1.06 0.00 0.00 176.35 175.48 2jw2 n VAL 12 N 5.36 0.20 -1.52 1.48 0.31 -1.26 -5.07 118.33 117.83 2jw2 n VAL 12 Ca -0.12 -4.37 -0.31 0.00 -0.01 0.00 0.00 64.34 59.53 2jw2 n VAL 12 Cb 0.41 -1.99 -0.13 0.00 -0.91 0.00 0.00 33.84 31.23 2jw2 n VAL 12 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jw2 n PRO 13 N 1.24 0.33 -2.68 5.55 -0.02 -1.26 -4.69 135.00 133.48 2jw2 n PRO 13 Ca 0.24 -0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.55 2jw2 n PRO 13 Cb 0.50 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2jw2 n PRO 13 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jw2 n ARG 14 N 7.97 0.14 -1.44 -0.52 0.63 -1.26 -5.07 116.66 117.11 2jw2 n ARG 14 Ca 0.57 -0.85 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 2jw2 n ARG 14 Cb 0.24 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.11 2jw2 n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jw2 n GLY 15 N 2.40 -2.55 0.79 5.14 0.00 -1.26 -4.93 105.19 104.78 2jw2 n GLY 15 Ca 0.10 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2jw2 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jw2 n SER 16 N -0.04 2.23 -0.34 1.61 3.41 -1.26 -4.29 113.62 114.94 2jw2 n SER 16 Ca 0.00 -2.16 0.15 0.00 -0.26 0.00 0.00 58.87 56.60 2jw2 n SER 16 Cb 0.00 -0.36 0.34 0.00 -0.26 0.00 0.00 64.21 63.93 2jw2 n SER 16 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jw2 h GLN 17 N 1.80 0.60 0.00 4.33 1.08 -1.99 -2.43 115.11 118.50 2jw2 h GLN 17 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2jw2 h GLN 17 Cb 0.71 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2jw2 h GLN 17 CO 0.08 0.40 0.00 0.39 -0.95 0.00 0.00 178.83 178.75 2jw2 n GLU 18 N -4.87 0.00 -0.33 1.46 -0.58 -1.26 0.97 120.64 116.03 2jw2 n GLU 18 Ca 0.24 0.75 0.26 0.00 -0.42 0.00 0.00 57.16 57.99 2jw2 n GLU 18 Cb 0.65 -1.49 0.50 0.00 -0.57 0.00 0.00 31.44 30.53 2jw2 n GLU 18 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jw2 h ILE 19 N 0.00 0.21 -0.32 -3.67 5.03 -1.81 1.03 117.51 117.98 2jw2 h ILE 19 Ca 0.00 -0.08 -0.03 0.00 -0.12 0.00 0.00 64.86 64.64 2jw2 h ILE 19 Cb 0.00 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 33.74 2jw2 h ILE 19 CO 0.00 0.04 0.10 -0.33 -0.68 0.00 0.00 178.15 177.28 2jw2 h GLU 20 N 0.22 0.50 -0.41 2.37 4.39 -0.70 -2.20 114.58 118.75 2jw2 h GLU 20 Ca 0.76 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 60.44 2jw2 h GLU 20 Cb 1.83 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 30.32 2jw2 h GLU 20 CO -0.66 0.54 -0.22 0.00 -1.16 0.00 0.00 179.01 177.51 2jw2 h ALA 21 N 0.94 0.06 -0.78 3.43 0.00 0.80 1.54 119.26 125.25 2jw2 h ALA 21 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jw2 h ALA 21 Cb 0.25 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2jw2 h ALA 21 CO -0.00 -0.59 0.49 0.87 0.00 0.00 0.00 179.25 180.02 2jw2 h LYS 22 N -0.14 1.04 0.30 0.00 1.79 -1.27 -0.75 116.57 117.53 2jw2 h LYS 22 Ca 0.20 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2jw2 h LYS 22 Cb 0.45 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2jw2 h LYS 22 CO -0.50 0.71 -0.14 0.93 -1.08 0.00 0.00 179.45 179.37 2jw2 h GLU 23 N 1.06 -0.39 -1.00 3.15 5.08 -0.33 0.43 114.58 122.58 2jw2 h GLU 23 Ca 0.28 0.03 0.36 0.00 -1.00 0.00 0.00 59.36 59.03 2jw2 h GLU 23 Cb -0.08 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.10 2jw2 h GLU 23 CO -0.06 -0.26 0.56 0.00 -1.00 0.00 0.00 179.01 178.26 2jw2 h ALA 24 N -1.14 2.05 0.20 3.43 0.00 0.21 2.59 119.26 126.61 2jw2 h ALA 24 Ca -0.04 0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 2jw2 h ALA 24 Cb 0.31 0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2jw2 h ALA 24 CO 0.07 -0.73 -1.58 0.00 0.00 0.00 0.00 179.25 177.01 2jw2 n ASP 26 N -3.70 0.05 -0.08 0.00 2.03 0.15 -3.60 116.55 111.41 2jw2 n ASP 26 Ca -0.22 0.51 -0.23 0.00 0.52 0.00 0.00 54.79 55.37 2jw2 n ASP 26 Cb 1.06 -0.52 -0.12 0.00 -0.72 0.00 0.00 41.12 40.82 2jw2 n ASP 26 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2jw2 n TRP 27 N -1.54 0.84 -0.08 -0.67 -0.00 0.84 -3.56 117.44 113.27 2jw2 n TRP 27 Ca 0.06 0.27 0.26 0.00 -0.00 0.00 0.00 57.50 58.09 2jw2 n TRP 27 Cb 0.31 -1.10 0.71 0.00 -0.00 0.00 0.00 31.31 31.24 2jw2 n TRP 27 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2jw2 h LEU 28 N -0.54 0.00 0.00 5.87 3.38 -1.56 0.92 115.31 123.37 2jw2 h LEU 28 Ca -0.45 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 2jw2 h LEU 28 Cb 1.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.37 2jw2 h LEU 28 CO -0.13 0.00 -1.23 0.03 0.09 0.00 0.00 178.44 177.20 2jw2 h ARG 29 N 0.00 0.00 -0.01 1.13 3.08 -1.65 2.24 114.38 119.18 2jw2 h ARG 29 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2jw2 h ARG 29 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2jw2 h ARG 29 CO -0.00 0.82 -0.26 0.00 -1.07 0.00 0.00 179.97 179.46 2jw2 n ALA 30 N -2.41 3.09 0.86 0.04 0.00 0.25 -3.72 120.51 118.62 2jw2 n ALA 30 Ca -0.06 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.05 2jw2 n ALA 30 Cb 0.97 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 2jw2 n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw2 n ALA 31 N -0.58 4.35 0.00 0.00 0.00 0.24 -4.96 120.51 119.56 2jw2 n ALA 31 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2jw2 n ALA 31 Cb 0.36 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2jw2 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jw2 n GLY 32 N 1.43 1.60 2.32 0.00 0.00 -1.17 -5.03 105.19 104.32 2jw2 n GLY 32 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2jw2 n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jw2 n PHE 33 N -1.08 0.89 0.05 1.61 3.01 0.76 -4.84 117.46 117.85 2jw2 n PHE 33 Ca 0.00 -3.80 -0.12 0.00 1.01 0.00 0.00 57.45 54.54 2jw2 n PHE 33 Cb 0.00 -0.42 -0.01 0.00 -0.01 0.00 0.00 39.48 39.04 2jw2 n PHE 33 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2jw2 h PRO 34 N 3.40 0.45 0.00 -1.08 0.13 -1.76 -3.04 132.00 130.10 2jw2 h PRO 34 Ca 0.10 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jw2 h PRO 34 Cb 0.85 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2jw2 h PRO 34 CO 0.56 1.05 0.00 0.00 -0.23 0.00 0.00 178.00 179.38 2jw2 n GLN 35 N -3.82 0.14 -0.02 0.86 -0.00 -1.26 -3.42 117.38 109.86 2jw2 n GLN 35 Ca -0.05 0.19 -0.01 0.00 -0.00 0.00 0.00 57.00 57.13 2jw2 n GLN 35 Cb 0.75 -1.50 -0.00 0.00 -0.00 0.00 0.00 30.24 29.49 2jw2 n GLN 35 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2jw2 h TYR 36 N 0.00 0.00 -0.92 2.61 -1.99 -1.88 -3.38 116.97 111.40 2jw2 h TYR 36 Ca 0.00 0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.09 2jw2 h TYR 36 Cb 0.11 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 38.68 2jw2 h TYR 36 CO 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 178.16 178.58 2jw2 n ALA 37 N -2.54 0.87 -0.31 3.88 0.00 -1.22 0.20 120.51 121.38 2jw2 n ALA 37 Ca -0.01 0.95 0.17 0.00 0.00 0.00 0.00 53.44 54.54 2jw2 n ALA 37 Cb 0.06 -0.90 0.35 0.00 0.00 0.00 0.00 19.45 18.95 2jw2 n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jw2 h GLN 38 N 0.00 0.21 -0.97 0.00 1.08 -1.73 1.30 115.11 115.01 2jw2 h GLN 38 Ca 0.75 -0.01 0.23 0.00 -1.45 0.00 0.00 58.65 58.16 2jw2 h GLN 38 Cb 1.92 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 29.22 2jw2 h GLN 38 CO -0.74 0.14 0.64 -0.07 -0.95 0.00 0.00 178.83 177.85 2jw2 h LEU 39 N 0.22 0.44 0.67 1.46 3.38 0.21 -1.87 115.31 119.81 2jw2 h LEU 39 Ca 0.62 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.61 2jw2 h LEU 39 Cb 1.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2jw2 h LEU 39 CO -0.67 0.14 -0.34 0.22 0.09 0.00 0.00 178.44 177.88 2jw2 h TYR 40 N 0.41 -0.88 -0.97 1.13 3.20 0.16 0.22 116.97 120.24 2jw2 h TYR 40 Ca 0.53 -0.02 0.32 0.00 3.14 0.00 0.00 58.73 62.70 2jw2 h TYR 40 Cb 1.31 0.30 -0.17 0.00 1.54 0.00 0.00 36.73 39.71 2jw2 h TYR 40 CO -0.00 -0.54 0.29 0.93 -1.64 0.00 0.00 178.16 177.20 2jw2 h GLU 41 N -0.92 0.08 0.00 1.82 5.08 -1.32 2.31 114.58 121.63 2jw2 h GLU 41 Ca -0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2jw2 h GLU 41 Cb 0.71 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jw2 h GLU 41 CO 0.14 0.05 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.61 2jw2 h ASP 42 N 0.08 0.00 -1.03 1.42 3.32 -1.16 -3.47 116.42 115.59 2jw2 h ASP 42 Ca 0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.73 2jw2 h ASP 42 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 2jw2 h ASP 42 CO -0.79 0.15 0.00 -1.20 -1.72 0.00 0.00 179.24 175.68 2jw2 n SER 43 N -3.21 -1.82 -0.34 6.45 7.64 0.78 -4.98 113.62 118.15 2jw2 n SER 43 Ca 0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.97 2jw2 n SER 43 Cb 0.47 -0.45 0.14 0.00 -1.01 0.00 0.00 64.21 63.36 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jw2 n GLN 44 N -0.51 1.21 0.12 1.43 1.13 0.49 -4.81 117.38 116.42 2jw2 n GLN 44 Ca 0.00 -2.65 -0.13 0.00 -1.94 0.00 0.00 57.00 52.28 2jw2 n GLN 44 Cb 0.45 -1.38 -0.08 0.00 0.11 0.00 0.00 30.24 29.34 2jw2 n GLN 44 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2jw2 h PHE 45 N 0.36 -0.25 -2.36 1.08 -1.00 -1.86 -3.42 116.94 109.49 2jw2 h PHE 45 Ca -0.01 -0.01 -0.56 0.00 2.81 0.00 0.00 57.97 60.20 2jw2 h PHE 45 Cb 1.08 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.72 2jw2 h PHE 45 CO 0.25 0.01 1.29 -1.25 -1.61 0.00 0.00 178.31 177.00 2jw2 s PRO 46 N -5.25 3.69 0.18 1.51 0.04 -1.26 -4.84 135.00 129.07 2jw2 s PRO 46 Ca -0.15 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 2jw2 s PRO 46 Cb 0.03 -4.20 0.08 0.00 0.04 0.00 0.00 34.50 30.46 2jw2 s PRO 46 CO 0.62 -1.45 1.05 0.96 0.04 0.00 0.00 177.00 178.22 2jw2 s ILE 47 N 6.00 0.00 -0.76 0.56 -4.36 -1.26 -5.07 121.20 116.30 2jw2 s ILE 47 Ca 0.87 -0.57 -0.24 0.00 -0.26 0.00 0.00 60.65 60.45 2jw2 s ILE 47 Cb -0.34 -2.93 -0.15 0.00 1.25 0.00 0.00 42.46 40.29 2jw2 s ILE 47 CO 0.36 0.00 2.40 0.59 0.24 0.00 0.00 174.94 178.53 2jw2 n ASN 48 N -1.25 1.53 0.00 4.36 4.13 -1.26 -4.69 115.26 118.08 2jw2 n ASN 48 Ca -0.02 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 55.08 2jw2 n ASN 48 Cb 0.59 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 2jw2 n ASN 48 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2jw2 n ILE 49 N 8.27 1.64 -0.10 2.41 5.41 -1.26 -1.32 119.36 134.41 2jw2 n ILE 49 Ca 0.48 0.43 -0.24 0.00 1.00 0.00 0.00 62.75 64.42 2jw2 n ILE 49 Cb 0.41 -1.43 -0.12 0.00 -0.71 0.00 0.00 39.64 37.79 2jw2 n ILE 49 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2jw2 n VAL 50 N -1.41 1.57 -0.05 1.39 3.14 -1.26 -4.07 118.33 117.65 2jw2 n VAL 50 Ca 0.00 -0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.21 2jw2 n VAL 50 Cb 0.02 -1.90 0.50 0.00 -1.06 0.00 0.00 33.84 31.40 2jw2 n VAL 50 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jw2 h ALA 51 N -0.50 1.97 0.34 1.55 0.00 -1.59 -2.61 119.26 118.43 2jw2 h ALA 51 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2jw2 h ALA 51 Cb 1.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jw2 h ALA 51 CO -0.21 -0.08 -0.16 -0.39 0.00 0.00 0.00 179.25 178.40 2jw2 h VAL 52 N 0.41 0.67 -1.43 0.00 -1.51 -1.66 0.21 116.25 112.93 2jw2 h VAL 52 Ca 0.24 -0.36 0.45 0.00 -1.23 0.00 0.00 66.70 65.80 2jw2 h VAL 52 Cb 0.42 0.86 -0.11 0.00 -2.13 0.00 0.00 31.29 30.33 2jw2 h VAL 52 CO -0.06 0.07 0.97 0.11 -1.23 0.00 0.00 177.57 177.43 2jw2 h LYS 53 N -0.66 0.07 0.00 5.19 1.57 -1.61 2.06 116.57 123.19 2jw2 h LYS 53 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2jw2 h LYS 53 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jw2 h LYS 53 CO 0.08 0.05 -1.18 0.09 -0.57 0.00 0.00 179.45 177.92 2jw2 n ASN 54 N -4.47 0.70 0.05 0.86 3.02 -1.05 -3.83 115.26 110.54 2jw2 n ASN 54 Ca 0.37 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 55.16 2jw2 n ASN 54 Cb 1.51 0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 41.39 2jw2 n ASN 54 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2jw2 h ASP 55 N 0.00 -0.11 0.00 6.41 1.82 0.54 -3.45 116.42 121.63 2jw2 h ASP 55 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jw2 h ASP 55 Cb 0.99 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2jw2 h ASP 55 CO 0.00 -0.04 -0.19 1.41 -1.61 0.00 0.00 179.24 178.81 2jw2 n HIS 56 N -2.54 0.00 -0.41 0.28 -0.00 -0.81 -4.94 115.22 106.79 2jw2 n HIS 56 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2jw2 n HIS 56 Cb 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2jw2 n HIS 56 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2jw2 n ASP 57 N -2.96 0.00 0.00 0.41 2.03 -1.25 -4.73 116.55 110.06 2jw2 n ASP 57 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2jw2 n ASP 57 Cb 0.10 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 2jw2 n ASP 57 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jw2 n PHE 58 N -2.00 0.00 -4.06 -0.67 3.01 -1.26 -4.53 117.46 107.95 2jw2 n PHE 58 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2jw2 n PHE 58 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 2jw2 n PHE 58 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jw2 s LEU 59 N 0.00 0.72 0.30 4.37 1.43 -1.26 -5.10 118.68 119.13 2jw2 s LEU 59 Ca 0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2jw2 s LEU 59 Cb 0.00 1.49 0.00 0.00 0.03 0.00 0.00 46.19 47.71 2jw2 s LEU 59 CO 0.00 -1.19 0.00 1.21 0.23 0.00 0.00 176.35 176.60 2jw2 n GLU 60 N -0.45 -5.61 0.08 1.70 2.13 -1.26 -4.60 120.64 112.63 2jw2 n GLU 60 Ca -0.00 3.99 -0.10 0.00 0.66 0.00 0.00 57.16 61.72 2jw2 n GLU 60 Cb 0.62 -4.36 -0.05 0.00 0.27 0.00 0.00 31.44 27.92 2jw2 n GLU 60 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2jw2 h LYS 61 N 3.89 0.17 0.00 5.31 1.79 -1.99 -3.00 116.57 122.74 2jw2 h LYS 61 Ca 0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2jw2 h LYS 61 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2jw2 h LYS 61 CO 0.00 1.01 0.00 -3.47 -1.08 0.00 0.00 179.45 175.91 2jw2 n ASP 62 N -3.57 0.00 0.01 0.86 2.03 -1.26 -0.28 116.55 114.33 2jw2 n ASP 62 Ca -0.04 0.43 0.11 0.00 0.52 0.00 0.00 54.79 55.82 2jw2 n ASP 62 Cb 0.87 -0.45 0.10 0.00 -0.72 0.00 0.00 41.12 40.92 2jw2 n ASP 62 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jw2 n LEU 63 N -1.45 0.65 0.09 -2.67 4.77 -1.13 -4.03 117.00 113.22 2jw2 n LEU 63 Ca 0.02 -0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 2jw2 n LEU 63 Cb 0.06 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2jw2 n LEU 63 CO 0.05 0.12 0.03 0.58 -1.33 0.00 0.00 177.39 176.83 2jw2 h VAL 64 N 0.00 1.42 0.56 4.08 2.07 -0.77 -2.64 116.25 120.97 2jw2 h VAL 64 Ca 0.00 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.78 2jw2 h VAL 64 Cb 0.58 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2jw2 h VAL 64 CO 0.00 0.80 -0.30 -0.33 0.02 0.00 0.00 177.57 177.76 2jw2 h GLU 65 N 0.17 -0.77 -0.75 1.57 5.08 -1.70 -2.53 114.58 115.66 2jw2 h GLU 65 Ca -0.13 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2jw2 h GLU 65 Cb 1.83 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.20 2jw2 h GLU 65 CO 0.20 -0.51 0.49 -1.00 -1.00 0.00 0.00 179.01 177.19 2jw2 h PRO 66 N -0.79 0.69 -0.87 2.33 0.13 -1.74 -0.57 132.00 131.17 2jw2 h PRO 66 Ca -0.08 -0.04 0.16 0.00 -0.87 0.00 0.00 66.00 65.18 2jw2 h PRO 66 Cb 0.62 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 31.53 2jw2 h PRO 66 CO 0.11 0.46 0.57 1.25 -0.23 0.00 0.00 178.00 180.15 2jw2 h LEU 67 N 0.71 0.53 -0.35 1.56 5.85 -1.29 0.45 115.31 122.78 2jw2 h LEU 67 Ca 0.34 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2jw2 h LEU 67 Cb 0.38 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2jw2 h LEU 67 CO -0.12 0.25 -0.04 0.00 -0.34 0.00 0.00 178.44 178.20 2jw2 h ARG 69 N 0.00 -0.12 0.13 0.00 3.08 0.01 -2.21 114.38 115.27 2jw2 h ARG 69 Ca -0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2jw2 h ARG 69 Cb 0.91 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 2jw2 h ARG 69 CO 0.00 0.04 -0.50 0.00 -1.07 0.00 0.00 179.97 178.45 2jw2 h ARG 70 N -1.02 -0.70 -0.63 0.04 2.47 -1.41 0.53 114.38 113.66 2jw2 h ARG 70 Ca -0.01 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 58.88 2jw2 h ARG 70 Cb 0.22 0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 28.60 2jw2 h ARG 70 CO 0.02 -0.46 0.09 -0.07 0.56 0.00 0.00 179.97 180.11 2jw2 h LEU 71 N -0.72 -0.09 -1.75 3.04 3.38 -1.70 0.62 115.31 118.09 2jw2 h LEU 71 Ca -0.01 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2jw2 h LEU 71 Cb 0.72 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2jw2 h LEU 71 CO -0.27 -0.04 0.25 -1.13 0.09 0.00 0.00 178.44 177.34 2jw2 h ASN 72 N 0.21 0.27 0.42 -0.43 -1.24 -0.60 0.79 115.58 115.00 2jw2 h ASN 72 Ca 0.34 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.32 2jw2 h ASN 72 Cb 0.53 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2jw2 h ASN 72 CO -0.46 0.18 -0.20 0.74 -1.29 0.00 0.00 177.43 176.40 2jw2 h THR 73 N 0.32 0.00 -0.23 -3.57 2.02 0.53 -3.17 112.91 108.80 2jw2 h THR 73 Ca 0.16 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2jw2 h THR 73 Cb 0.23 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2jw2 h THR 73 CO -0.03 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.91 2jw2 h LEU 74 N -1.03 0.29 -1.05 2.58 3.38 -0.75 -1.26 115.31 117.47 2jw2 h LEU 74 Ca -0.06 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2jw2 h LEU 74 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jw2 h LEU 74 CO 0.09 0.28 0.74 0.78 0.09 0.00 0.00 178.44 180.43 2jw2 h ASN 75 N 0.27 0.00 0.45 -0.43 2.35 0.48 2.57 115.58 121.26 2jw2 h ASN 75 Ca 0.08 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.60 2jw2 h ASN 75 Cb 0.06 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 2jw2 h ASN 75 CO -0.01 0.00 -1.74 1.17 -1.65 0.00 0.00 177.43 175.20 2jw2 n LYS 76 N -2.86 0.64 0.01 0.81 4.81 -0.51 -3.67 118.16 117.39 2jw2 n LYS 76 Ca 0.03 0.17 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 2jw2 n LYS 76 Cb 0.82 -1.73 0.02 0.00 0.02 0.00 0.00 35.03 34.16 2jw2 n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jw2 h ALA 78 N 2.75 0.61 0.00 0.00 0.00 0.19 -3.40 119.26 119.41 2jw2 h ALA 78 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 2jw2 h ALA 78 Cb 0.62 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2jw2 h ALA 78 CO 0.00 0.22 -2.21 0.43 0.00 0.00 0.00 179.25 177.69 2jw2 n SER 79 N -2.81 1.75 -4.44 0.00 7.64 -1.24 -4.87 113.62 109.66 2jw2 n SER 79 Ca -0.01 0.17 -0.44 0.00 1.01 0.00 0.00 58.87 59.60 2jw2 n SER 79 Cb 0.61 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2jw2 n SER 79 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jw2 s MET 80 N -2.40 3.13 0.00 1.43 0.00 -1.00 -5.11 119.30 115.34 2jw2 s MET 80 Ca -0.30 -0.90 0.00 0.00 0.00 0.00 0.00 55.69 54.49 2jw2 s MET 80 Cb 0.11 -4.17 0.00 0.00 0.00 0.00 0.00 34.83 30.76 2jw2 s MET 80 CO 0.41 -1.51 0.00 1.17 0.00 0.00 0.00 175.02 175.09