#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 0.00 -4.15 1.12 -0.00 -1.26 -5.16 115.22 105.77 2jw2 n HIS 2 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2jw2 n HIS 2 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jw2 s HIS 3 N 2.06 3.10 0.00 4.41 3.76 -1.26 -5.00 115.29 122.36 2jw2 s HIS 3 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2jw2 s HIS 3 Cb 0.00 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.07 2jw2 s HIS 3 CO 0.00 0.49 0.00 0.72 -0.85 0.00 0.00 174.74 175.10 2jw2 n HIS 4 N 0.82 0.00 -0.01 1.40 -0.00 -1.26 -4.43 115.22 111.74 2jw2 n HIS 4 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.60 2jw2 n HIS 4 Cb 0.52 0.05 -0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2jw2 n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jw2 n HIS 5 N 10.98 0.00 0.00 4.41 -0.00 -1.26 -5.11 115.22 124.23 2jw2 n HIS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jw2 n HIS 5 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2jw2 n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jw2 n HIS 6 N -2.70 0.00 0.10 4.41 -0.00 -1.26 -4.89 115.22 110.89 2jw2 n HIS 6 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.53 2jw2 n HIS 6 Cb 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.90 2jw2 n HIS 6 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jw2 h HIS 7 N 0.00 0.59 -2.65 -1.40 3.86 -1.99 -3.49 115.15 110.07 2jw2 h HIS 7 Ca 0.00 -0.43 -0.13 0.00 -1.16 0.00 0.00 60.37 58.65 2jw2 h HIS 7 Cb 0.00 -0.02 0.05 0.00 1.06 0.00 0.00 27.41 28.49 2jw2 h HIS 7 CO 0.00 1.37 -0.23 -1.13 0.86 0.00 0.00 177.93 178.81 2jw2 n SER 8 N -3.55 -3.35 0.00 2.45 3.41 -1.26 -4.83 113.62 106.49 2jw2 n SER 8 Ca -0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2jw2 n SER 8 Cb 1.05 -2.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2jw2 n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jw2 n SER 9 N -0.12 0.00 0.00 4.04 7.64 -1.26 -4.88 113.62 119.04 2jw2 n SER 9 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jw2 n SER 9 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2jw2 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jw2 n GLY 10 N 0.00 -0.07 3.76 0.23 0.00 -1.26 -5.14 105.19 102.71 2jw2 n GLY 10 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2jw2 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jw2 s LEU 11 N 0.00 4.58 0.09 0.99 1.43 -1.26 -5.02 118.68 119.49 2jw2 s LEU 11 Ca 0.00 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2jw2 s LEU 11 Cb 0.00 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2jw2 s LEU 11 CO 0.00 0.01 -0.09 0.68 0.23 0.00 0.00 176.35 177.19 2jw2 s VAL 12 N -1.22 0.83 0.00 -1.59 -7.23 -1.26 -5.17 120.40 104.76 2jw2 s VAL 12 Ca 0.43 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2jw2 s VAL 12 Cb -0.27 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2jw2 s VAL 12 CO 0.34 -0.65 0.00 -0.81 -0.31 0.00 0.00 175.10 173.67 2jw2 n PRO 13 N 0.42 -0.52 -1.33 4.82 -0.04 -1.26 -4.64 135.00 132.45 2jw2 n PRO 13 Ca -0.15 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.47 2jw2 n PRO 13 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.99 2jw2 n PRO 13 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jw2 n ARG 14 N -1.14 -2.72 -1.53 0.54 3.00 -1.26 -4.10 116.66 109.45 2jw2 n ARG 14 Ca 0.00 2.00 -0.13 0.00 -0.00 0.00 0.00 57.85 59.71 2jw2 n ARG 14 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 32.46 29.05 2jw2 n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jw2 n GLY 15 N -3.98 -0.30 1.27 5.14 0.00 -1.26 -4.61 105.19 101.45 2jw2 n GLY 15 Ca -0.03 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2jw2 n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jw2 n SER 16 N 17.73 3.88 -0.58 1.61 7.64 -1.26 -4.54 113.62 138.09 2jw2 n SER 16 Ca 0.43 -2.04 0.47 0.00 1.01 0.00 0.00 58.87 58.74 2jw2 n SER 16 Cb 0.43 -0.46 0.77 0.00 -1.01 0.00 0.00 64.21 63.94 2jw2 n SER 16 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jw2 h GLN 17 N 3.92 0.02 0.00 1.43 5.75 -1.94 0.16 115.11 124.44 2jw2 h GLN 17 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2jw2 h GLN 17 Cb 0.99 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.54 2jw2 h GLN 17 CO 0.02 0.01 0.00 0.39 -2.65 0.00 0.00 178.83 176.60 2jw2 n GLU 18 N -4.18 0.00 -0.22 1.69 -0.58 -1.26 0.74 120.64 116.82 2jw2 n GLU 18 Ca 0.40 0.49 0.15 0.00 -0.42 0.00 0.00 57.16 57.77 2jw2 n GLU 18 Cb 1.76 -1.44 0.45 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.79 -0.34 -3.67 2.04 -1.52 0.19 117.51 115.01 2jw2 h ILE 19 Ca 0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2jw2 h ILE 19 Cb 0.00 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2jw2 h ILE 19 CO 0.00 0.10 0.11 -0.33 0.00 0.00 0.00 178.15 178.03 2jw2 h GLU 20 N 0.53 0.52 0.43 2.37 4.39 -0.66 0.75 114.58 122.90 2jw2 h GLU 20 Ca 0.42 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2jw2 h GLU 20 Cb 0.85 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2jw2 h GLU 20 CO -0.17 0.54 -0.39 0.00 -1.16 0.00 0.00 179.01 177.83 2jw2 h ALA 21 N 0.95 -0.88 -0.85 3.43 0.00 0.24 0.89 119.26 123.04 2jw2 h ALA 21 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jw2 h ALA 21 Cb 0.23 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2jw2 h ALA 21 CO -0.00 -1.03 0.56 -0.22 0.00 0.00 0.00 179.25 178.56 2jw2 h LYS 22 N -0.83 1.09 0.17 0.00 1.63 -1.38 -2.11 116.57 115.14 2jw2 h LYS 22 Ca -0.04 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2jw2 h LYS 22 Cb 0.73 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2jw2 h LYS 22 CO -0.04 0.72 -0.08 0.93 -3.45 0.00 0.00 179.45 177.53 2jw2 h GLU 23 N 1.13 -0.21 -0.78 1.90 4.39 -0.49 0.91 114.58 121.42 2jw2 h GLU 23 Ca 0.32 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.20 2jw2 h GLU 23 Cb -0.09 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 28.47 2jw2 h GLU 23 CO -0.08 -0.02 -0.13 0.00 -1.16 0.00 0.00 179.01 177.62 2jw2 h ALA 24 N 0.43 0.61 0.14 3.43 0.00 0.12 2.29 119.26 126.28 2jw2 h ALA 24 Ca -0.02 0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 2jw2 h ALA 24 Cb 0.30 0.54 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jw2 h ALA 24 CO 0.04 -0.42 -0.91 0.00 0.00 0.00 0.00 179.25 177.96 2jw2 h ASP 26 N -0.24 0.00 0.33 0.00 1.82 0.18 -2.65 116.42 115.86 2jw2 h ASP 26 Ca -0.15 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.16 2jw2 h ASP 26 Cb 1.70 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.69 2jw2 h ASP 26 CO 0.17 0.00 -1.71 -0.25 -1.61 0.00 0.00 179.24 175.84 2jw2 h TRP 27 N 0.00 0.44 0.15 0.28 7.01 0.38 -3.25 115.95 120.96 2jw2 h TRP 27 Ca 0.00 -0.32 0.00 0.00 2.11 0.00 0.00 58.89 60.69 2jw2 h TRP 27 Cb 0.39 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 2jw2 h TRP 27 CO 0.00 1.48 -0.37 -0.07 -2.79 0.00 0.00 178.44 176.68 2jw2 h LEU 28 N 0.07 -1.10 -1.60 0.65 3.38 -1.07 0.79 115.31 116.42 2jw2 h LEU 28 Ca -0.31 0.11 0.16 0.00 0.09 0.00 0.00 57.88 57.93 2jw2 h LEU 28 Cb 2.03 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 43.13 2jw2 h LEU 28 CO 0.13 -0.42 0.52 0.08 0.09 0.00 0.00 178.44 178.85 2jw2 h ARG 29 N -0.58 0.36 0.00 1.13 0.11 -1.51 0.81 114.38 114.70 2jw2 h ARG 29 Ca -0.01 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2jw2 h ARG 29 Cb 0.56 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2jw2 h ARG 29 CO -0.16 0.24 0.00 0.00 0.10 0.00 0.00 179.97 180.15 2jw2 h ALA 30 N 1.64 1.00 0.00 0.08 0.00 -1.19 -2.88 119.26 117.91 2jw2 h ALA 30 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2jw2 h ALA 30 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jw2 h ALA 30 CO -0.12 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.60 2jw2 n ALA 31 N -1.84 2.99 0.00 0.00 0.00 0.27 -4.91 120.51 117.01 2jw2 n ALA 31 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2jw2 n ALA 31 Cb 0.39 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.38 1.40 2.43 0.00 0.00 -0.84 -5.06 105.19 104.49 2jw2 n GLY 32 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.11 -1.30 0.84 1.61 3.72 -0.87 -4.96 117.46 115.39 2jw2 n PHE 33 Ca 0.00 -3.05 0.13 0.00 -0.05 0.00 0.00 57.45 54.48 2jw2 n PHE 33 Cb 0.00 0.40 0.48 0.00 -0.94 0.00 0.00 39.48 39.42 2jw2 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jw2 n PRO 34 N 2.74 0.11 0.00 -1.08 -0.04 -1.26 -3.22 135.00 132.25 2jw2 n PRO 34 Ca 0.28 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 2jw2 n PRO 34 Cb 0.50 -1.62 0.45 0.00 -0.04 0.00 0.00 33.50 32.79 2jw2 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jw2 n GLN 35 N -1.80 0.23 -0.01 0.54 0.00 -1.26 -3.27 117.38 111.81 2jw2 n GLN 35 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 57.00 57.18 2jw2 n GLN 35 Cb 0.38 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.12 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 -1.64 2.61 0.05 -1.96 -3.37 116.97 112.66 2jw2 h TYR 36 Ca 0.00 0.00 0.49 0.00 0.05 0.00 0.00 58.73 59.27 2jw2 h TYR 36 Cb 0.18 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.83 2jw2 h TYR 36 CO 0.00 0.00 1.15 0.00 -1.05 0.00 0.00 178.16 178.26 2jw2 h ALA 37 N -1.87 3.40 -0.98 3.88 0.00 -1.78 1.12 119.26 123.02 2jw2 h ALA 37 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2jw2 h ALA 37 Cb 0.04 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2jw2 h ALA 37 CO 0.00 -1.95 0.62 1.96 0.00 0.00 0.00 179.25 179.89 2jw2 h GLN 38 N 0.03 0.56 -0.14 0.00 1.08 -1.70 0.44 115.11 115.38 2jw2 h GLN 38 Ca 0.84 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.97 2jw2 h GLN 38 Cb 3.16 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 30.45 2jw2 h GLN 38 CO -0.14 0.37 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.93 2jw2 h LEU 39 N 0.58 0.19 0.61 1.46 4.07 0.11 -2.96 115.31 119.38 2jw2 h LEU 39 Ca 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.45 2jw2 h LEU 39 Cb 1.11 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2jw2 h LEU 39 CO -0.30 0.33 -0.33 0.22 -1.08 0.00 0.00 178.44 177.29 2jw2 h TYR 40 N 0.20 -0.85 -1.09 1.13 3.20 -0.21 0.17 116.97 119.51 2jw2 h TYR 40 Ca 0.04 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.21 2jw2 h TYR 40 Cb 0.33 0.29 -0.11 0.00 1.54 0.00 0.00 36.73 38.78 2jw2 h TYR 40 CO 0.00 -0.51 0.69 0.93 -1.64 0.00 0.00 178.16 177.63 2jw2 h GLU 41 N -0.86 0.33 0.00 1.82 5.08 -1.50 1.66 114.58 121.12 2jw2 h GLU 41 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jw2 h GLU 41 Cb 0.67 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jw2 h GLU 41 CO 0.11 0.22 0.00 -0.44 -1.00 0.00 0.00 179.01 177.90 2jw2 h ASP 42 N 0.34 0.00 -1.77 1.42 3.32 -1.30 -3.47 116.42 114.96 2jw2 h ASP 42 Ca 0.67 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.72 2jw2 h ASP 42 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2jw2 h ASP 42 CO -0.39 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 175.93 2jw2 n SER 43 N -2.92 -1.90 -2.93 6.45 7.64 0.57 -5.02 113.62 115.51 2jw2 n SER 43 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 2jw2 n SER 43 Cb 0.42 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.89 1.04 -0.07 1.43 10.64 0.37 -4.94 117.38 124.96 2jw2 n GLN 44 Ca 0.00 -2.94 -0.22 0.00 -1.83 0.00 0.00 57.00 52.01 2jw2 n GLN 44 Cb 0.47 -1.32 -0.12 0.00 -0.86 0.00 0.00 30.24 28.41 2jw2 n GLN 44 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2jw2 n PHE 45 N 0.13 0.73 -1.77 2.61 7.35 -1.26 -4.69 117.46 120.56 2jw2 n PHE 45 Ca 0.15 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.62 2jw2 n PHE 45 Cb 0.72 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.44 2jw2 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2jw2 s PRO 46 N -2.49 3.53 0.35 -7.13 0.02 -1.26 -4.74 135.00 123.27 2jw2 s PRO 46 Ca -0.29 2.02 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 2jw2 s PRO 46 Cb 0.08 -4.23 0.06 0.00 0.02 0.00 0.00 34.50 30.43 2jw2 s PRO 46 CO 0.64 -1.64 0.85 0.96 -0.33 0.00 0.00 177.00 177.49 2jw2 s ILE 47 N 6.59 0.00 -0.76 2.83 -4.36 -1.26 -5.08 121.20 119.16 2jw2 s ILE 47 Ca 0.89 -0.90 -0.26 0.00 -0.26 0.00 0.00 60.65 60.12 2jw2 s ILE 47 Cb -0.32 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.35 2jw2 s ILE 47 CO 0.35 0.00 2.24 0.54 0.24 0.00 0.00 174.94 178.31 2jw2 s ASN 48 N -3.16 4.42 0.00 4.36 6.03 -1.26 -4.73 114.94 120.60 2jw2 s ASN 48 Ca 0.17 0.02 0.00 0.00 -1.03 0.00 0.00 52.86 52.02 2jw2 s ASN 48 Cb -0.05 -2.54 0.00 0.00 -3.03 0.00 0.00 41.25 35.63 2jw2 s ASN 48 CO 0.10 -3.30 0.67 -0.38 -2.03 0.00 0.00 177.10 172.16 2jw2 n ILE 49 N 8.29 0.88 -0.00 0.54 5.41 -1.26 -0.31 119.36 132.91 2jw2 n ILE 49 Ca 0.41 0.36 -0.21 0.00 1.00 0.00 0.00 62.75 64.30 2jw2 n ILE 49 Cb 0.47 -1.36 -0.14 0.00 -0.71 0.00 0.00 39.64 37.90 2jw2 n ILE 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2jw2 h VAL 50 N 0.00 1.00 0.33 1.39 2.07 -2.01 -3.33 116.25 115.71 2jw2 h VAL 50 Ca 0.00 -2.38 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 2jw2 h VAL 50 Cb 0.27 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2jw2 h VAL 50 CO 0.00 0.69 -0.16 0.00 0.02 0.00 0.00 177.57 178.12 2jw2 h ALA 51 N -0.07 -0.44 -0.05 1.67 0.00 -1.06 -3.16 119.26 116.15 2jw2 h ALA 51 Ca -0.31 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2jw2 h ALA 51 Cb 1.74 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2jw2 h ALA 51 CO 0.04 -0.58 -0.08 -0.39 0.00 0.00 0.00 179.25 178.24 2jw2 h VAL 52 N -0.77 0.00 -1.08 0.00 -1.51 -1.73 1.69 116.25 112.84 2jw2 h VAL 52 Ca -0.05 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.74 2jw2 h VAL 52 Cb 0.51 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.63 2jw2 h VAL 52 CO 0.07 0.00 1.11 0.07 -1.23 0.00 0.00 177.57 177.59 2jw2 h LYS 53 N -0.06 0.00 0.00 5.19 2.10 -1.69 2.92 116.57 125.03 2jw2 h LYS 53 Ca 0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 2jw2 h LYS 53 Cb 0.09 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 2jw2 h LYS 53 CO -0.08 0.00 -1.69 -1.71 -2.00 0.00 0.00 179.45 173.97 2jw2 n ASN 54 N -3.47 0.49 0.22 7.07 2.85 0.92 -4.26 115.26 119.08 2jw2 n ASN 54 Ca 0.24 0.21 -0.12 0.00 -0.11 0.00 0.00 54.58 54.80 2jw2 n ASN 54 Cb 1.45 0.78 -0.07 0.00 1.24 0.00 0.00 39.78 43.18 2jw2 n ASN 54 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2jw2 h ASP 55 N 0.00 -0.50 0.00 1.20 1.82 1.71 -3.00 116.42 117.65 2jw2 h ASP 55 Ca -0.18 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2jw2 h ASP 55 Cb 1.51 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.65 2jw2 h ASP 55 CO 0.03 -0.10 0.00 0.00 -1.61 0.00 0.00 179.24 177.56 2jw2 n HIS 56 N -5.20 0.00 -4.00 0.28 1.44 -0.55 -4.93 115.22 102.26 2jw2 n HIS 56 Ca -0.10 -0.26 0.00 0.00 -2.01 0.00 0.00 57.72 55.35 2jw2 n HIS 56 Cb 0.29 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.23 2jw2 n HIS 56 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2jw2 n ASP 57 N 0.56 -0.00 0.00 4.39 -0.08 -1.13 -4.69 116.55 115.59 2jw2 n ASP 57 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jw2 n ASP 57 Cb 0.30 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.76 2jw2 n ASP 57 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jw2 n PHE 58 N 0.00 0.00 -1.30 -0.67 3.72 -1.26 -3.90 117.46 114.04 2jw2 n PHE 58 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 2jw2 n PHE 58 Cb 0.00 0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 2jw2 n PHE 58 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2jw2 n LEU 59 N 0.00 -1.15 -2.61 4.37 -0.00 -1.26 -3.96 117.00 112.38 2jw2 n LEU 59 Ca 0.00 1.05 -0.04 0.00 -0.00 0.00 0.00 56.01 57.02 2jw2 n LEU 59 Cb 0.17 -0.88 -0.03 0.00 -0.00 0.00 0.00 43.42 42.67 2jw2 n LEU 59 CO 0.00 -2.77 -0.52 -0.62 -0.00 0.00 0.00 177.39 173.48 2jw2 n GLU 60 N 0.93 -4.05 0.10 1.47 1.02 -1.26 -4.60 120.64 114.25 2jw2 n GLU 60 Ca 0.17 3.06 -0.06 0.00 -0.02 0.00 0.00 57.16 60.31 2jw2 n GLU 60 Cb 0.23 -4.20 0.03 0.00 -0.02 0.00 0.00 31.44 27.49 2jw2 n GLU 60 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jw2 h LYS 61 N 4.32 0.09 0.00 3.49 1.63 -2.00 -2.43 116.57 121.66 2jw2 h LYS 61 Ca -0.37 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2jw2 h LYS 61 Cb 0.84 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2jw2 h LYS 61 CO 0.01 0.84 0.00 0.22 -3.45 0.00 0.00 179.45 177.06 2jw2 h ASP 62 N 0.05 0.00 0.05 4.20 1.82 -1.93 -1.38 116.42 119.24 2jw2 h ASP 62 Ca -0.02 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.36 2jw2 h ASP 62 Cb 1.40 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.36 2jw2 h ASP 62 CO 0.11 0.00 -2.21 0.18 -1.61 0.00 0.00 179.24 175.71 2jw2 n LEU 63 N -2.55 0.07 -0.04 2.28 4.77 -1.09 -4.24 117.00 116.20 2jw2 n LEU 63 Ca -0.00 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 2jw2 n LEU 63 Cb 0.16 0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2jw2 n LEU 63 CO 0.18 0.34 0.33 0.58 -1.33 0.00 0.00 177.39 177.49 2jw2 h VAL 64 N 0.00 1.28 0.35 4.08 2.07 -0.87 -2.59 116.25 120.57 2jw2 h VAL 64 Ca -0.37 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 2jw2 h VAL 64 Cb 1.86 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 2jw2 h VAL 64 CO 0.02 0.61 -0.36 -0.33 0.02 0.00 0.00 177.57 177.53 2jw2 h GLU 65 N 0.58 -0.68 -0.26 1.57 3.07 -1.48 -2.19 114.58 115.19 2jw2 h GLU 65 Ca -0.03 0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 2jw2 h GLU 65 Cb 1.32 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 2jw2 h GLU 65 CO 0.15 -0.46 0.18 -1.00 -1.40 0.00 0.00 179.01 176.48 2jw2 h PRO 66 N -0.71 0.03 -0.85 2.33 0.13 -1.74 -1.52 132.00 129.67 2jw2 h PRO 66 Ca -0.04 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 2jw2 h PRO 66 Cb 0.62 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 2jw2 h PRO 66 CO -0.05 0.02 0.54 1.25 -0.23 0.00 0.00 178.00 179.53 2jw2 h LEU 67 N 0.03 0.89 -0.70 1.56 5.85 -0.99 0.12 115.31 122.08 2jw2 h LEU 67 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jw2 h LEU 67 Cb 0.45 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2jw2 h LEU 67 CO -0.01 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 2jw2 h ARG 69 N 0.00 0.55 0.01 0.00 2.43 -0.63 -3.07 114.38 113.67 2jw2 h ARG 69 Ca 0.00 -0.85 -0.02 0.00 -0.81 0.00 0.00 59.98 58.29 2jw2 h ARG 69 Cb 0.62 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2jw2 h ARG 69 CO 0.00 1.40 -0.10 0.00 -1.51 0.00 0.00 179.97 179.76 2jw2 h ARG 70 N 0.19 0.05 -0.61 0.20 2.47 -1.04 -2.91 114.38 112.73 2jw2 h ARG 70 Ca -0.22 -0.07 0.12 0.00 -1.26 0.00 0.00 59.98 58.55 2jw2 h ARG 70 Cb 2.06 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 30.31 2jw2 h ARG 70 CO 0.26 0.93 0.05 -0.07 0.56 0.00 0.00 179.97 181.70 2jw2 h LEU 71 N -0.79 -0.16 -1.50 3.04 3.38 -1.49 0.36 115.31 118.15 2jw2 h LEU 71 Ca -0.01 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2jw2 h LEU 71 Cb 0.97 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2jw2 h LEU 71 CO 0.02 -0.07 0.03 -1.13 0.09 0.00 0.00 178.44 177.38 2jw2 h ASN 72 N 0.17 0.32 0.59 -0.43 -0.73 -1.63 0.30 115.58 114.17 2jw2 h ASN 72 Ca 0.32 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 2jw2 h ASN 72 Cb 0.50 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.02 2jw2 h ASN 72 CO -0.48 0.36 -0.28 0.74 -0.37 0.00 0.00 177.43 177.40 2jw2 h THR 73 N 0.35 0.27 -0.07 -3.57 2.02 -0.16 -3.02 112.91 108.74 2jw2 h THR 73 Ca 0.08 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2jw2 h THR 73 Cb 0.19 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2jw2 h THR 73 CO 0.00 0.04 0.03 -0.07 0.37 0.00 0.00 175.52 175.89 2jw2 h LEU 74 N -1.05 0.09 -1.57 2.58 3.38 -0.93 -2.08 115.31 115.73 2jw2 h LEU 74 Ca -0.08 -0.13 0.40 0.00 0.09 0.00 0.00 57.88 58.15 2jw2 h LEU 74 Cb 0.66 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2jw2 h LEU 74 CO 0.13 0.19 1.21 0.78 0.09 0.00 0.00 178.44 180.84 2jw2 h ASN 75 N -0.03 0.00 0.44 -0.43 2.35 -0.45 2.50 115.58 119.96 2jw2 h ASN 75 Ca 0.02 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 2jw2 h ASN 75 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2jw2 h ASN 75 CO -0.00 0.00 -1.69 0.11 -1.65 0.00 0.00 177.43 174.20 2jw2 h LYS 76 N 0.00 0.11 0.00 0.81 6.56 -1.25 -3.34 116.57 119.47 2jw2 h LYS 76 Ca 0.65 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 2jw2 h LYS 76 Cb 3.06 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 34.79 2jw2 h LYS 76 CO -0.01 0.83 -0.45 0.00 -2.06 0.00 0.00 179.45 177.75 2jw2 n ALA 78 N -1.56 2.04 -0.35 0.00 0.00 0.55 -3.41 120.51 117.78 2jw2 n ALA 78 Ca 0.05 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.56 2jw2 n ALA 78 Cb 0.36 -1.32 0.36 0.00 0.00 0.00 0.00 19.45 18.85 2jw2 n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jw2 h SER 79 N 0.00 0.71 0.00 0.00 0.02 -1.76 -3.43 113.55 109.08 2jw2 h SER 79 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2jw2 h SER 79 Cb 0.18 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2jw2 h SER 79 CO 0.00 0.19 0.00 1.15 -1.14 0.00 0.00 176.83 177.03 2jw2 n MET 80 N -4.80 0.00 0.00 3.45 0.00 -1.22 -5.20 117.12 109.35 2jw2 n MET 80 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.07 2jw2 n MET 80 Cb 0.67 0.00 0.23 0.00 0.00 0.00 0.00 33.22 34.12 2jw2 n MET 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60