#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jw2 s HIS 2 N 0.00 1.34 0.14 2.03 0.09 -1.26 -5.00 115.29 112.63 2jw2 s HIS 2 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 55.06 54.40 2jw2 s HIS 2 Cb 0.00 -2.36 0.00 0.00 -0.00 0.00 0.00 32.58 30.22 2jw2 s HIS 2 CO 0.00 -1.32 0.00 0.72 -0.00 0.00 0.00 174.74 174.14 2jw2 n HIS 3 N -2.39 -2.61 -3.87 1.40 -0.00 -1.26 -5.01 115.22 101.48 2jw2 n HIS 3 Ca 0.16 0.76 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 2jw2 n HIS 3 Cb 0.62 -1.39 0.01 0.00 -0.00 0.00 0.00 29.99 29.23 2jw2 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jw2 s HIS 4 N -1.33 0.38 -0.01 4.41 5.65 -1.26 -5.07 115.29 118.05 2jw2 s HIS 4 Ca 0.00 -0.97 -0.25 0.00 0.25 0.00 0.00 55.06 54.09 2jw2 s HIS 4 Cb 0.00 0.63 -0.20 0.00 -1.18 0.00 0.00 32.58 31.84 2jw2 s HIS 4 CO 0.00 -1.51 1.28 1.25 -0.65 0.00 0.00 174.74 175.11 2jw2 h HIS 5 N 2.02 -0.03 0.00 3.88 -0.00 -2.05 -3.46 115.15 115.51 2jw2 h HIS 5 Ca -0.32 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2jw2 h HIS 5 Cb 1.25 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2jw2 h HIS 5 CO 1.51 0.41 0.00 1.58 -0.00 0.00 0.00 177.93 181.43 2jw2 n HIS 6 N -4.89 0.00 -1.34 5.26 -0.00 -1.26 -4.89 115.22 108.10 2jw2 n HIS 6 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 2jw2 n HIS 6 Cb 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 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 -0.87 -1.26 -2.34 1.57 -0.00 -1.26 -5.00 115.22 106.07 2jw2 n HIS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jw2 n HIS 7 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 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 -3.73 0.00 -3.52 0.26 2.88 -1.26 -5.19 113.62 103.06 2jw2 n SER 8 Ca 0.00 -0.07 -0.16 0.00 -1.33 0.00 0.00 58.87 57.31 2jw2 n SER 8 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jw2 n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jw2 s SER 9 N 1.53 1.00 -0.56 -3.46 1.04 -1.26 -5.06 113.70 106.94 2jw2 s SER 9 Ca 0.00 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 54.90 2jw2 s SER 9 Cb 0.00 0.56 0.45 0.00 0.10 0.00 0.00 66.02 67.14 2jw2 s SER 9 CO 0.00 -1.11 1.79 0.61 0.98 0.00 0.00 173.24 175.51 2jw2 n GLY 10 N -0.52 6.04 3.54 7.32 0.00 -1.26 -4.96 105.19 115.35 2jw2 n GLY 10 Ca 0.04 -2.42 -0.36 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.76 3.72 -0.45 0.99 1.02 -1.26 -5.01 118.68 113.92 2jw2 s LEU 11 Ca 0.61 -0.06 0.08 0.00 0.02 0.00 0.00 54.13 54.78 2jw2 s LEU 11 Cb 0.48 -1.99 0.28 0.00 0.02 0.00 0.00 46.19 44.98 2jw2 s LEU 11 CO 0.00 0.03 0.65 0.52 0.02 0.00 0.00 176.35 177.57 2jw2 n VAL 12 N 4.53 0.37 -1.91 -1.59 0.31 -1.26 -5.10 118.33 113.68 2jw2 n VAL 12 Ca -0.16 -4.52 -0.31 0.00 -0.01 0.00 0.00 64.34 59.34 2jw2 n VAL 12 Cb 0.52 -1.56 0.01 0.00 -0.91 0.00 0.00 33.84 31.90 2jw2 n VAL 12 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jw2 s PRO 13 N -1.92 3.50 0.53 5.55 0.04 -1.26 -5.05 135.00 136.40 2jw2 s PRO 13 Ca 0.38 0.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2jw2 s PRO 13 Cb 0.22 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 2jw2 s PRO 13 CO -0.09 -0.64 1.02 -0.98 0.04 0.00 0.00 177.00 176.35 2jw2 s ARG 14 N -4.87 3.70 0.00 4.56 1.04 -1.26 -3.49 118.95 118.63 2jw2 s ARG 14 Ca 0.57 1.13 0.00 0.00 -1.04 0.00 0.00 55.73 56.39 2jw2 s ARG 14 Cb -0.12 -2.09 0.00 0.00 -2.04 0.00 0.00 34.95 30.70 2jw2 s ARG 14 CO 0.49 -0.49 0.00 0.41 -0.04 0.00 0.00 175.30 175.67 2jw2 n GLY 15 N -1.05 0.52 1.31 3.88 0.00 -1.26 -4.87 105.19 103.71 2jw2 n GLY 15 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2jw2 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jw2 n SER 16 N -0.06 4.00 -0.08 1.61 2.88 -1.23 -4.54 113.62 116.20 2jw2 n SER 16 Ca 0.00 -2.10 0.22 0.00 -1.33 0.00 0.00 58.87 55.66 2jw2 n SER 16 Cb 0.03 -0.48 0.37 0.00 -0.75 0.00 0.00 64.21 63.38 2jw2 n SER 16 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2jw2 h GLN 17 N 3.95 0.00 0.00 -1.46 1.08 -1.89 0.22 115.11 117.00 2jw2 h GLN 17 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jw2 h GLN 17 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2jw2 h GLN 17 CO 0.05 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.32 2jw2 n GLU 18 N -3.11 0.00 0.14 1.46 -0.58 -1.26 -0.58 120.64 116.71 2jw2 n GLU 18 Ca 0.17 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.53 2jw2 n GLU 18 Cb 1.35 -1.26 0.65 0.00 -0.57 0.00 0.00 31.44 31.61 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 0.89 -0.42 -3.67 2.04 -1.39 -0.61 117.51 114.36 2jw2 h ILE 19 Ca 0.00 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2jw2 h ILE 19 Cb 0.00 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2jw2 h ILE 19 CO 0.00 0.00 -0.19 -0.33 0.00 0.00 0.00 178.15 177.64 2jw2 h GLU 20 N 0.03 0.86 0.62 2.37 4.39 -0.71 -2.42 114.58 119.71 2jw2 h GLU 20 Ca 0.11 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 2jw2 h GLU 20 Cb 0.42 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2jw2 h GLU 20 CO -0.00 1.01 -0.42 0.00 -1.16 0.00 0.00 179.01 178.44 2jw2 h ALA 21 N 0.83 -1.04 -0.60 3.43 0.00 0.78 0.90 119.26 123.56 2jw2 h ALA 21 Ca 0.09 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jw2 h ALA 21 Cb 0.75 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2jw2 h ALA 21 CO 0.06 -1.11 0.19 0.87 0.00 0.00 0.00 179.25 179.26 2jw2 h LYS 22 N -1.00 0.34 0.13 0.00 1.79 -1.54 -1.35 116.57 114.95 2jw2 h LYS 22 Ca -0.08 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2jw2 h LYS 22 Cb 0.82 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2jw2 h LYS 22 CO 0.05 0.23 -0.06 0.93 -1.08 0.00 0.00 179.45 179.51 2jw2 h GLU 23 N 0.35 -0.17 -1.03 3.15 4.39 -1.18 0.71 114.58 120.79 2jw2 h GLU 23 Ca 0.31 0.01 0.36 0.00 0.34 0.00 0.00 59.36 60.37 2jw2 h GLU 23 Cb 0.40 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.94 2jw2 h GLU 23 CO -0.33 0.02 0.59 0.00 -1.16 0.00 0.00 179.01 178.13 2jw2 h ALA 24 N 0.51 2.09 0.14 3.43 0.00 0.17 1.47 119.26 127.08 2jw2 h ALA 24 Ca -0.02 0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.77 2jw2 h ALA 24 Cb 0.27 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jw2 h ALA 24 CO 0.03 -0.75 -1.66 0.00 0.00 0.00 0.00 179.25 176.87 2jw2 h ASP 26 N -0.08 0.00 0.16 0.00 1.82 0.32 -2.63 116.42 116.01 2jw2 h ASP 26 Ca -0.35 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.95 2jw2 h ASP 26 Cb 1.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.95 2jw2 h ASP 26 CO 0.11 0.00 -1.78 -0.25 -1.61 0.00 0.00 179.24 175.71 2jw2 h TRP 27 N 0.00 0.63 -1.08 0.28 7.01 0.18 -3.32 115.95 119.64 2jw2 h TRP 27 Ca 0.00 -0.46 0.34 0.00 2.11 0.00 0.00 58.89 60.88 2jw2 h TRP 27 Cb 0.25 -0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 27.16 2jw2 h TRP 27 CO 0.00 1.70 0.65 -0.07 -2.79 0.00 0.00 178.44 177.93 2jw2 h LEU 28 N 0.04 0.45 -0.52 0.65 -0.00 -1.44 1.03 115.31 115.52 2jw2 h LEU 28 Ca -0.36 0.16 -0.16 0.00 -0.00 0.00 0.00 57.88 57.52 2jw2 h LEU 28 Cb 2.04 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.80 2jw2 h LEU 28 CO 0.14 -0.10 -0.51 0.03 -0.00 0.00 0.00 178.44 178.00 2jw2 h ARG 29 N 0.29 0.62 0.00 1.13 3.08 -1.69 -2.54 114.38 115.27 2jw2 h ARG 29 Ca 0.73 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2jw2 h ARG 29 Cb 1.84 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.93 2jw2 h ARG 29 CO -0.50 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 2jw2 n ALA 30 N -2.52 1.92 1.02 0.04 0.00 0.34 -1.99 120.51 119.32 2jw2 n ALA 30 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2jw2 n ALA 30 Cb 0.58 -1.30 0.21 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.40 3.67 -0.21 0.00 0.00 -0.43 -4.92 120.51 117.21 2jw2 n ALA 31 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2jw2 n ALA 31 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.48 0.86 2.43 0.00 0.00 -0.84 -5.01 105.19 104.11 2jw2 n GLY 32 Ca 0.06 0.00 -0.26 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 -2.19 0.36 2.00 1.61 3.72 -1.04 -4.94 117.46 116.99 2jw2 n PHE 33 Ca 0.00 -3.62 0.14 0.00 -0.05 0.00 0.00 57.45 53.91 2jw2 n PHE 33 Cb 0.00 -0.12 0.80 0.00 -0.94 0.00 0.00 39.48 39.22 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 2.14 1.00 0.17 -1.08 -0.04 -1.24 -3.43 135.00 132.52 2jw2 n PRO 34 Ca 0.26 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2jw2 n PRO 34 Cb 0.46 -1.42 0.23 0.00 -0.04 0.00 0.00 33.50 32.74 2jw2 n PRO 34 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2jw2 h GLN 35 N 0.00 0.00 0.10 0.54 -0.00 -1.92 -3.26 115.11 110.57 2jw2 h GLN 35 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jw2 h GLN 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2jw2 h GLN 35 CO 0.00 0.43 -0.05 1.88 -0.00 0.00 0.00 178.83 181.09 2jw2 h TYR 36 N 0.00 -0.12 -1.32 0.06 0.05 -1.93 -3.22 116.97 110.49 2jw2 h TYR 36 Ca -0.00 -0.00 0.42 0.00 0.05 0.00 0.00 58.73 59.20 2jw2 h TYR 36 Cb 1.07 0.04 -0.10 0.00 1.01 0.00 0.00 36.73 38.75 2jw2 h TYR 36 CO 0.00 -0.08 0.89 0.00 -1.05 0.00 0.00 178.16 177.92 2jw2 n ALA 37 N -2.16 1.29 -0.28 3.88 0.00 -1.25 0.19 120.51 122.18 2jw2 n ALA 37 Ca -0.02 0.66 0.06 0.00 0.00 0.00 0.00 53.44 54.14 2jw2 n ALA 37 Cb 0.05 -0.90 0.20 0.00 0.00 0.00 0.00 19.45 18.80 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 0.57 -0.91 0.00 1.08 -1.60 0.57 115.11 114.82 2jw2 h GLN 38 Ca 0.75 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 58.05 2jw2 h GLN 38 Cb 2.63 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 29.86 2jw2 h GLN 38 CO -0.26 0.38 0.58 -0.07 -0.95 0.00 0.00 178.83 178.51 2jw2 h LEU 39 N 0.58 0.70 0.56 1.46 4.07 0.20 -2.54 115.31 120.34 2jw2 h LEU 39 Ca 0.44 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.42 2jw2 h LEU 39 Cb 0.61 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 2jw2 h LEU 39 CO -0.36 0.36 -0.43 0.22 -1.08 0.00 0.00 178.44 177.15 2jw2 h TYR 40 N 0.75 -1.18 -1.11 1.13 3.20 -0.97 0.15 116.97 118.93 2jw2 h TYR 40 Ca 0.46 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.64 2jw2 h TYR 40 Cb 0.67 0.44 -0.11 0.00 1.54 0.00 0.00 36.73 39.27 2jw2 h TYR 40 CO -0.00 -0.61 0.70 0.93 -1.64 0.00 0.00 178.16 177.54 2jw2 h GLU 41 N -0.96 0.30 0.00 1.82 5.08 -1.43 1.92 114.58 121.31 2jw2 h GLU 41 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jw2 h GLU 41 Cb 0.80 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2jw2 h GLU 41 CO 0.01 0.20 0.00 -0.44 -1.00 0.00 0.00 179.01 177.78 2jw2 h ASP 42 N 0.31 0.00 -1.88 1.42 5.19 -1.06 -3.47 116.42 116.92 2jw2 h ASP 42 Ca 0.68 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 2jw2 h ASP 42 Cb 1.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.33 2jw2 h ASP 42 CO -0.38 0.00 0.00 -0.24 -3.12 0.00 0.00 179.24 175.50 2jw2 n SER 43 N -2.94 -1.72 -2.85 6.45 2.88 0.65 -5.03 113.62 111.07 2jw2 n SER 43 Ca 0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 2jw2 n SER 43 Cb 0.45 -0.43 0.04 0.00 -0.75 0.00 0.00 64.21 63.52 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jw2 n GLN 44 N -0.94 1.08 -0.09 -1.46 10.64 -0.23 -4.93 117.38 121.44 2jw2 n GLN 44 Ca 0.00 -2.80 -0.20 0.00 -1.83 0.00 0.00 57.00 52.17 2jw2 n GLN 44 Cb 0.43 -1.13 -0.12 0.00 -0.86 0.00 0.00 30.24 28.55 2jw2 n GLN 44 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jw2 n PHE 45 N 0.02 0.41 -1.88 2.61 3.01 -1.26 -4.68 117.46 115.69 2jw2 n PHE 45 Ca 0.11 0.09 -0.43 0.00 1.01 0.00 0.00 57.45 58.24 2jw2 n PHE 45 Cb 0.75 -1.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.14 2jw2 n PHE 45 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2jw2 s PRO 46 N -2.53 3.65 0.12 -1.08 0.02 -1.26 -4.76 135.00 129.16 2jw2 s PRO 46 Ca -0.31 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 62.39 2jw2 s PRO 46 Cb 0.09 -4.16 0.08 0.00 0.02 0.00 0.00 34.50 30.53 2jw2 s PRO 46 CO 0.65 -1.49 1.12 0.96 -0.33 0.00 0.00 177.00 177.91 2jw2 s ILE 47 N 6.02 0.00 -0.81 2.83 -4.36 -1.26 -5.07 121.20 118.54 2jw2 s ILE 47 Ca 0.83 -0.45 -0.25 0.00 -0.26 0.00 0.00 60.65 60.52 2jw2 s ILE 47 Cb -0.30 -2.91 -0.09 0.00 1.25 0.00 0.00 42.46 40.41 2jw2 s ILE 47 CO 0.34 0.00 2.17 0.54 0.24 0.00 0.00 174.94 178.23 2jw2 s ASN 48 N -3.54 4.55 0.09 4.36 6.03 -1.26 -4.73 114.94 120.45 2jw2 s ASN 48 Ca 0.24 -0.19 0.03 0.00 -1.03 0.00 0.00 52.86 51.92 2jw2 s ASN 48 Cb -0.02 -2.55 0.18 0.00 -3.03 0.00 0.00 41.25 35.83 2jw2 s ASN 48 CO 0.03 -3.23 0.90 -0.38 -2.03 0.00 0.00 177.10 172.39 2jw2 n ILE 49 N 8.25 0.91 0.04 0.54 5.41 -1.26 -0.10 119.36 133.14 2jw2 n ILE 49 Ca 0.42 0.57 -0.19 0.00 1.00 0.00 0.00 62.75 64.54 2jw2 n ILE 49 Cb 0.46 -1.57 -0.14 0.00 -0.71 0.00 0.00 39.64 37.68 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 1.54 0.06 1.39 2.07 -2.01 -3.22 116.25 116.09 2jw2 h VAL 50 Ca 0.00 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.00 2jw2 h VAL 50 Cb 0.54 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2jw2 h VAL 50 CO 0.00 0.71 -0.03 0.00 0.02 0.00 0.00 177.57 178.27 2jw2 h ALA 51 N 0.07 -0.08 0.15 1.67 0.00 -0.90 -3.07 119.26 117.10 2jw2 h ALA 51 Ca -0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jw2 h ALA 51 Cb 1.58 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2jw2 h ALA 51 CO 0.14 -0.44 -0.15 -0.39 0.00 0.00 0.00 179.25 178.41 2jw2 h VAL 52 N -0.29 0.00 -1.58 0.00 -1.51 -1.70 1.82 116.25 113.00 2jw2 h VAL 52 Ca -0.01 0.00 0.46 0.00 -1.23 0.00 0.00 66.70 65.92 2jw2 h VAL 52 Cb 0.25 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.35 2jw2 h VAL 52 CO 0.01 0.00 1.22 0.07 -1.23 0.00 0.00 177.57 177.65 2jw2 h LYS 53 N -0.29 0.00 0.00 5.19 2.10 -1.67 2.46 116.57 124.37 2jw2 h LYS 53 Ca -0.02 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 2jw2 h LYS 53 Cb 0.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2jw2 h LYS 53 CO -0.02 0.00 -1.68 0.09 -2.00 0.00 0.00 179.45 175.84 2jw2 n ASN 54 N -3.86 0.53 0.08 7.07 3.02 -0.72 -3.52 115.26 117.86 2jw2 n ASN 54 Ca 0.35 0.23 -0.03 0.00 -0.03 0.00 0.00 54.58 55.10 2jw2 n ASN 54 Cb 1.71 0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 41.56 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 -0.19 0.00 6.41 1.82 1.76 -2.79 116.42 123.43 2jw2 h ASP 55 Ca -0.19 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2jw2 h ASP 55 Cb 1.55 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.61 2jw2 h ASP 55 CO 0.03 -0.10 0.02 1.41 -1.61 0.00 0.00 179.24 178.98 2jw2 n HIS 56 N -2.77 0.00 -3.42 0.28 8.25 -0.69 -4.83 115.22 112.04 2jw2 n HIS 56 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 2jw2 n HIS 56 Cb 0.09 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.05 2jw2 n HIS 56 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2jw2 n ASP 57 N -1.14 -6.02 -4.80 0.41 -0.08 -1.05 -4.94 116.55 98.92 2jw2 n ASP 57 Ca 0.00 -0.27 -0.29 0.00 -1.51 0.00 0.00 54.79 52.72 2jw2 n ASP 57 Cb 0.02 -2.78 0.12 0.00 2.34 0.00 0.00 41.12 40.83 2jw2 n ASP 57 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2jw2 s PHE 58 N -2.32 2.61 0.00 -0.67 0.40 -1.23 -5.08 117.98 111.69 2jw2 s PHE 58 Ca 0.20 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.41 2jw2 s PHE 58 Cb -0.03 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.14 2jw2 s PHE 58 CO 0.85 -2.21 0.00 1.28 0.70 0.00 0.00 175.22 175.84 2jw2 n LEU 59 N -3.67 0.00 -4.30 -0.37 4.32 -1.26 -5.02 117.00 106.70 2jw2 n LEU 59 Ca 0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.66 2jw2 n LEU 59 Cb 0.59 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.40 2jw2 n LEU 59 CO 0.57 0.00 -0.47 -1.84 -1.22 0.00 0.00 177.39 174.44 2jw2 n GLU 60 N 0.00 0.07 0.00 3.23 0.28 -1.26 -4.84 120.64 118.12 2jw2 n GLU 60 Ca 0.00 0.03 0.13 0.00 -0.16 0.00 0.00 57.16 57.16 2jw2 n GLU 60 Cb 0.00 -1.08 0.47 0.00 1.43 0.00 0.00 31.44 32.26 2jw2 n GLU 60 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jw2 n LYS 61 N 1.26 0.33 0.20 3.44 3.00 -1.26 -3.52 118.16 121.62 2jw2 n LYS 61 Ca 0.10 -0.14 0.07 0.00 -0.00 0.00 0.00 58.31 58.35 2jw2 n LYS 61 Cb 0.44 -1.50 0.35 0.00 0.00 0.00 0.00 35.03 34.33 2jw2 n LYS 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jw2 h ASP 62 N 0.33 0.00 0.19 3.14 1.82 -2.01 -1.83 116.42 118.07 2jw2 h ASP 62 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jw2 h ASP 62 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2jw2 h ASP 62 CO 0.00 0.31 -1.42 0.18 -1.61 0.00 0.00 179.24 176.70 2jw2 n LEU 63 N -3.42 0.47 0.11 2.28 4.77 -1.23 -4.15 117.00 115.83 2jw2 n LEU 63 Ca 0.00 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 2jw2 n LEU 63 Cb 0.50 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 2jw2 n LEU 63 CO 0.35 0.06 -0.38 0.58 -1.33 0.00 0.00 177.39 176.67 2jw2 h VAL 64 N 0.00 1.11 0.43 4.08 2.07 -1.57 -3.04 116.25 119.33 2jw2 h VAL 64 Ca 0.00 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 2jw2 h VAL 64 Cb 0.81 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2jw2 h VAL 64 CO 0.00 0.83 -0.28 -0.33 0.02 0.00 0.00 177.57 177.81 2jw2 h GLU 65 N 0.11 -0.65 -0.72 1.57 5.08 -1.52 -1.59 114.58 116.87 2jw2 h GLU 65 Ca -0.30 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2jw2 h GLU 65 Cb 2.12 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.47 2jw2 h GLU 65 CO 0.22 -0.43 0.48 -1.00 -1.00 0.00 0.00 179.01 177.29 2jw2 h PRO 66 N -0.67 0.43 -0.74 2.33 0.13 -1.74 -0.03 132.00 131.71 2jw2 h PRO 66 Ca -0.06 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2jw2 h PRO 66 Cb 0.54 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 2jw2 h PRO 66 CO 0.05 0.28 0.45 1.25 -0.23 0.00 0.00 178.00 179.81 2jw2 h LEU 67 N 0.44 0.87 -0.72 1.56 6.46 -1.37 -0.28 115.31 122.28 2jw2 h LEU 67 Ca 0.35 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2jw2 h LEU 67 Cb 0.74 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2jw2 h LEU 67 CO -0.11 0.67 0.00 0.00 -0.62 0.00 0.00 178.44 178.38 2jw2 h ARG 69 N 0.00 0.48 0.12 0.00 -0.00 -0.82 -2.86 114.38 111.30 2jw2 h ARG 69 Ca 0.00 -0.80 -0.01 0.00 -0.50 0.00 0.00 59.98 58.67 2jw2 h ARG 69 Cb 0.59 0.30 0.00 0.00 0.00 0.00 0.00 29.97 30.86 2jw2 h ARG 69 CO 0.00 1.38 -0.06 0.00 0.00 0.00 0.00 179.97 181.30 2jw2 h ARG 70 N 0.13 -0.15 -0.13 0.04 2.47 -1.34 -2.56 114.38 112.84 2jw2 h ARG 70 Ca -0.22 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2jw2 h ARG 70 Cb 2.11 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 30.40 2jw2 h ARG 70 CO 0.26 0.32 -0.35 -0.07 0.56 0.00 0.00 179.97 180.70 2jw2 h LEU 71 N -0.86 -1.08 -0.96 3.04 3.38 -1.61 0.55 115.31 117.77 2jw2 h LEU 71 Ca -0.02 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.30 2jw2 h LEU 71 Cb 0.55 0.45 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2jw2 h LEU 71 CO 0.03 -0.38 0.54 -1.13 0.09 0.00 0.00 178.44 177.59 2jw2 h ASN 72 N -0.42 0.64 0.51 -0.43 -1.24 -1.61 0.71 115.58 113.75 2jw2 h ASN 72 Ca 0.09 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 2jw2 h ASN 72 Cb 0.57 0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.63 2jw2 h ASN 72 CO -0.37 0.19 -0.25 0.74 -1.29 0.00 0.00 177.43 176.46 2jw2 h THR 73 N 0.65 0.00 -0.95 -3.57 2.02 -0.43 -2.80 112.91 107.83 2jw2 h THR 73 Ca 0.57 -0.29 0.20 0.00 0.77 0.00 0.00 66.41 67.65 2jw2 h THR 73 Cb 0.93 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 2jw2 h THR 73 CO -0.42 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.01 2jw2 h LEU 74 N -0.98 0.58 -1.52 2.58 3.38 0.47 0.39 115.31 120.21 2jw2 h LEU 74 Ca -0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2jw2 h LEU 74 Cb 0.53 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2jw2 h LEU 74 CO 0.12 0.22 0.39 0.78 0.09 0.00 0.00 178.44 180.04 2jw2 h ASN 75 N 0.57 0.52 1.73 -0.43 2.35 0.47 1.28 115.58 122.07 2jw2 h ASN 75 Ca 0.51 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2jw2 h ASN 75 Cb 1.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2jw2 h ASN 75 CO -0.26 0.35 0.00 0.11 -1.65 0.00 0.00 177.43 175.98 2jw2 h LYS 76 N 0.60 0.00 0.00 0.81 1.57 0.03 -3.21 116.57 116.37 2jw2 h LYS 76 Ca 0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 2jw2 h LYS 76 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2jw2 h LYS 76 CO -0.07 0.00 -1.98 0.00 -0.57 0.00 0.00 179.45 176.83 2jw2 n ALA 78 N -2.54 2.53 -0.05 0.00 0.00 0.41 -3.21 120.51 117.65 2jw2 n ALA 78 Ca -0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 2jw2 n ALA 78 Cb 0.96 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 2jw2 n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jw2 n SER 79 N -0.21 0.44 -2.22 0.00 2.88 -1.24 -4.36 113.62 108.92 2jw2 n SER 79 Ca 0.02 0.21 -0.26 0.00 -1.33 0.00 0.00 58.87 57.50 2jw2 n SER 79 Cb 0.14 0.56 0.02 0.00 -0.75 0.00 0.00 64.21 64.17 2jw2 n SER 79 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jw2 n MET 80 N -2.84 3.47 0.00 -1.46 2.81 -1.20 -5.17 117.12 112.73 2jw2 n MET 80 Ca -0.22 -4.20 0.00 0.00 -1.81 0.00 0.00 57.70 51.47 2jw2 n MET 80 Cb 1.04 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2jw2 n MET 80 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65