#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 -3.22 2.03 -0.00 -1.26 -5.15 115.22 107.62 2jw2 n HIS 2 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2jw2 n HIS 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jw2 s HIS 3 N -1.08 -1.45 0.00 -1.40 5.65 -1.26 -5.16 115.29 110.59 2jw2 s HIS 3 Ca 0.00 0.73 0.00 0.00 0.25 0.00 0.00 55.06 56.04 2jw2 s HIS 3 Cb 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 32.58 31.49 2jw2 s HIS 3 CO 0.00 -1.04 0.00 1.58 -0.65 0.00 0.00 174.74 174.63 2jw2 n HIS 4 N 5.39 -2.62 -3.08 3.88 -0.00 -1.26 -4.79 115.22 112.74 2jw2 n HIS 4 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.61 2jw2 n HIS 4 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.52 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 -1.24 -2.66 0.32 1.57 -0.00 -1.26 -4.92 115.22 107.03 2jw2 n HIS 5 Ca 0.00 1.12 0.11 0.00 -0.00 0.00 0.00 57.72 58.95 2jw2 n HIS 5 Cb 0.00 -2.78 -0.09 0.00 -0.00 0.00 0.00 29.99 27.12 2jw2 n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jw2 n HIS 6 N 0.29 0.20 -2.61 4.41 -0.00 -1.26 -4.97 115.22 111.28 2jw2 n HIS 6 Ca 0.01 0.06 -0.17 0.00 -0.00 0.00 0.00 57.72 57.62 2jw2 n HIS 6 Cb 0.43 -0.47 0.01 0.00 -0.00 0.00 0.00 29.99 29.97 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 -2.12 -1.20 -1.71 1.57 -0.00 -1.26 -4.92 115.22 105.59 2jw2 n HIS 7 Ca -0.01 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 57.51 2jw2 n HIS 7 Cb 0.49 -3.59 -0.03 0.00 -0.00 0.00 0.00 29.99 26.86 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 -1.41 3.58 -4.37 0.26 2.88 -1.26 -4.98 113.62 108.32 2jw2 n SER 8 Ca -0.14 1.10 -0.34 0.00 -1.33 0.00 0.00 58.87 58.16 2jw2 n SER 8 Cb 0.62 -1.53 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.78 4.32 0.00 -3.46 1.04 -1.26 -4.93 113.70 110.19 2jw2 s SER 9 Ca 0.71 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2jw2 s SER 9 Cb -0.56 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2jw2 s SER 9 CO 0.41 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.32 2jw2 n GLY 10 N 4.08 -0.28 3.54 7.32 0.00 -1.26 -5.13 105.19 113.46 2jw2 n GLY 10 Ca -0.18 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 4.48 -0.45 0.99 1.02 -1.26 -4.98 118.68 118.47 2jw2 s LEU 11 Ca 0.00 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 53.88 2jw2 s LEU 11 Cb 0.00 -2.19 0.28 0.00 0.02 0.00 0.00 46.19 44.30 2jw2 s LEU 11 CO 0.00 -0.25 0.65 1.33 0.02 0.00 0.00 176.35 178.10 2jw2 n VAL 12 N 5.14 0.37 -1.81 -1.59 0.24 -1.26 -5.12 118.33 114.29 2jw2 n VAL 12 Ca -0.12 -4.53 -0.30 0.00 -2.04 0.00 0.00 64.34 57.35 2jw2 n VAL 12 Cb 0.50 -1.54 0.04 0.00 -1.47 0.00 0.00 33.84 31.36 2jw2 n VAL 12 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jw2 s PRO 13 N -1.93 3.02 0.00 7.34 0.04 -1.26 -5.10 135.00 137.11 2jw2 s PRO 13 Ca 0.38 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 2jw2 s PRO 13 Cb 0.22 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2jw2 s PRO 13 CO -0.09 -0.95 0.33 -0.98 0.04 0.00 0.00 177.00 175.35 2jw2 s ARG 14 N -5.25 0.74 0.00 4.56 1.04 -1.26 -4.89 118.95 113.89 2jw2 s ARG 14 Ca 0.57 -0.26 0.00 0.00 -1.04 0.00 0.00 55.73 55.00 2jw2 s ARG 14 Cb -0.12 0.33 0.00 0.00 -2.04 0.00 0.00 34.95 33.12 2jw2 s ARG 14 CO 0.53 -0.22 0.00 0.41 -0.04 0.00 0.00 175.30 175.98 2jw2 n GLY 15 N 1.02 2.83 0.34 3.88 0.00 -1.26 -4.71 105.19 107.29 2jw2 n GLY 15 Ca -0.20 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 1.84 1.01 0.33 1.61 3.41 -1.26 -4.06 113.62 116.50 2jw2 n SER 16 Ca 0.00 -1.63 0.12 0.00 -0.26 0.00 0.00 58.87 57.10 2jw2 n SER 16 Cb 0.00 -0.07 0.63 0.00 -0.26 0.00 0.00 64.21 64.52 2jw2 n SER 16 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2jw2 h GLN 17 N 1.33 0.00 0.18 4.33 4.15 -1.90 -1.72 115.11 121.48 2jw2 h GLN 17 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2jw2 h GLN 17 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2jw2 h GLN 17 CO 0.00 0.00 -0.09 0.93 -1.93 0.00 0.00 178.83 177.74 2jw2 h GLU 18 N 0.00 -0.23 -0.74 1.69 4.39 -2.00 -3.14 114.58 114.55 2jw2 h GLU 18 Ca 0.00 0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.93 2jw2 h GLU 18 Cb 0.95 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 2jw2 h GLU 18 CO 0.00 -0.15 0.71 0.82 -1.16 0.00 0.00 179.01 179.23 2jw2 h ILE 19 N -0.57 0.31 -0.06 3.13 2.04 -1.65 1.21 117.51 121.91 2jw2 h ILE 19 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2jw2 h ILE 19 Cb 0.18 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2jw2 h ILE 19 CO 0.04 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 177.58 2jw2 h GLU 20 N 0.00 0.11 0.32 2.37 5.08 -1.43 -1.71 114.58 119.32 2jw2 h GLU 20 Ca 0.35 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2jw2 h GLU 20 Cb 1.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2jw2 h GLU 20 CO -0.00 0.39 -0.15 0.00 -1.00 0.00 0.00 179.01 178.24 2jw2 h ALA 21 N 1.62 -0.70 -0.96 3.43 0.00 0.16 1.08 119.26 123.88 2jw2 h ALA 21 Ca 0.01 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.04 2jw2 h ALA 21 Cb 0.56 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2jw2 h ALA 21 CO 0.04 -0.67 0.62 -0.22 0.00 0.00 0.00 179.25 179.02 2jw2 h LYS 22 N -0.64 0.47 0.10 0.00 1.63 -1.58 -0.97 116.57 115.59 2jw2 h LYS 22 Ca -0.04 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2jw2 h LYS 22 Cb 0.33 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2jw2 h LYS 22 CO 0.07 0.31 -0.05 0.93 -3.45 0.00 0.00 179.45 177.27 2jw2 h GLU 23 N 0.49 -0.13 -0.93 1.90 4.39 -1.30 -2.16 114.58 116.84 2jw2 h GLU 23 Ca 0.52 0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.40 2jw2 h GLU 23 Cb 1.17 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 29.68 2jw2 h GLU 23 CO -0.24 0.38 -0.26 0.00 -1.16 0.00 0.00 179.01 177.73 2jw2 n ALA 24 N -2.54 0.15 0.05 3.43 0.00 0.37 0.29 120.51 122.26 2jw2 n ALA 24 Ca -0.08 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.26 2jw2 n ALA 24 Cb 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.18 2jw2 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw2 n ASP 26 N -3.83 0.70 -0.10 0.00 -0.08 0.26 -3.57 116.55 109.92 2jw2 n ASP 26 Ca -0.05 0.58 -0.19 0.00 -1.51 0.00 0.00 54.79 53.62 2jw2 n ASP 26 Cb 0.72 -0.76 -0.08 0.00 2.34 0.00 0.00 41.12 43.33 2jw2 n ASP 26 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 2jw2 n TRP 27 N -2.17 0.68 -0.21 -0.67 -0.00 0.83 -3.83 117.44 112.07 2jw2 n TRP 27 Ca 0.05 0.30 0.30 0.00 -0.00 0.00 0.00 57.50 58.15 2jw2 n TRP 27 Cb 0.39 -0.96 0.62 0.00 -0.00 0.00 0.00 31.31 31.35 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 -1.00 0.00 -0.05 5.87 3.38 -1.17 2.25 115.31 124.59 2jw2 h LEU 28 Ca -0.34 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.40 2jw2 h LEU 28 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2jw2 h LEU 28 CO -0.20 0.00 -1.06 0.03 0.09 0.00 0.00 178.44 177.30 2jw2 h ARG 29 N 0.00 0.21 -0.01 1.13 3.08 -1.71 -1.13 114.38 115.95 2jw2 h ARG 29 Ca 0.48 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2jw2 h ARG 29 Cb 2.44 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.60 2jw2 h ARG 29 CO -0.01 1.09 -0.22 0.00 -1.07 0.00 0.00 179.97 179.77 2jw2 n ALA 30 N -2.48 2.99 0.68 0.04 0.00 0.73 -3.56 120.51 118.91 2jw2 n ALA 30 Ca -0.05 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.13 2jw2 n ALA 30 Cb 0.92 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.69 3.41 -0.15 0.00 0.00 0.72 -4.94 120.51 118.86 2jw2 n ALA 31 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2jw2 n ALA 31 Cb 0.33 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.40 0.92 2.31 0.00 0.00 -1.21 -5.02 105.19 103.59 2jw2 n GLY 32 Ca 0.03 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.15 0.27 1.25 1.61 3.72 -0.44 -4.92 117.46 116.79 2jw2 n PHE 33 Ca 0.00 -3.63 0.14 0.00 -0.05 0.00 0.00 57.45 53.92 2jw2 n PHE 33 Cb 0.00 -0.25 0.70 0.00 -0.94 0.00 0.00 39.48 38.99 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 1.71 0.26 0.25 -1.08 -0.04 -1.11 -3.46 135.00 131.51 2jw2 n PRO 34 Ca 0.24 -0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.87 2jw2 n PRO 34 Cb 0.49 -1.50 0.83 0.00 -0.04 0.00 0.00 33.50 33.28 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 0.01 0.00 0.03 0.54 -0.00 -1.91 -3.15 115.11 110.63 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 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 2jw2 h GLN 35 CO 0.00 0.00 -0.01 1.88 -0.00 0.00 0.00 178.83 180.70 2jw2 h TYR 36 N 0.00 -0.03 -0.85 0.06 0.05 -1.92 -3.33 116.97 110.94 2jw2 h TYR 36 Ca 0.00 -0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.12 2jw2 h TYR 36 Cb 0.16 0.01 -0.14 0.00 1.01 0.00 0.00 36.73 37.78 2jw2 h TYR 36 CO 0.00 -0.02 0.48 0.00 -1.05 0.00 0.00 178.16 177.57 2jw2 n ALA 37 N -2.16 0.87 -0.29 3.88 0.00 -1.20 0.20 120.51 121.81 2jw2 n ALA 37 Ca -0.00 0.79 0.11 0.00 0.00 0.00 0.00 53.44 54.33 2jw2 n ALA 37 Cb 0.01 -0.82 0.26 0.00 0.00 0.00 0.00 19.45 18.91 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 0.38 -0.19 0.00 1.08 -1.66 0.57 115.11 115.29 2jw2 h GLN 38 Ca 0.68 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.91 2jw2 h GLN 38 Cb 1.88 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.21 2jw2 h GLN 38 CO -0.57 0.25 0.14 -0.07 -0.95 0.00 0.00 178.83 177.63 2jw2 h LEU 39 N 0.39 0.00 0.48 1.46 3.38 0.22 -2.71 115.31 118.53 2jw2 h LEU 39 Ca 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 2jw2 h LEU 39 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2jw2 h LEU 39 CO -0.51 0.00 -0.46 0.22 0.09 0.00 0.00 178.44 177.79 2jw2 h TYR 40 N 0.00 -1.25 -1.27 1.13 3.20 0.09 0.80 116.97 119.66 2jw2 h TYR 40 Ca 0.09 0.01 0.43 0.00 3.14 0.00 0.00 58.73 62.39 2jw2 h TYR 40 Cb 0.37 0.49 -0.13 0.00 1.54 0.00 0.00 36.73 38.99 2jw2 h TYR 40 CO 0.00 -0.62 0.81 0.93 -1.64 0.00 0.00 178.16 177.63 2jw2 h GLU 41 N -0.94 0.09 0.00 1.82 5.08 -1.52 2.24 114.58 121.35 2jw2 h GLU 41 Ca -0.05 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2jw2 h GLU 41 Cb 0.82 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2jw2 h GLU 41 CO -0.05 0.06 -1.01 0.22 -1.00 0.00 0.00 179.01 177.23 2jw2 h ASP 42 N 0.09 0.00 -0.07 1.42 1.82 -1.31 -3.48 116.42 114.89 2jw2 h ASP 42 Ca 0.82 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.44 2jw2 h ASP 42 Cb 2.49 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.49 2jw2 h ASP 42 CO -0.46 0.28 -0.02 -1.20 -1.61 0.00 0.00 179.24 176.23 2jw2 n SER 43 N -2.86 -2.67 -2.16 2.28 7.64 0.76 -4.93 113.62 111.68 2jw2 n SER 43 Ca -0.03 0.02 -0.18 0.00 1.01 0.00 0.00 58.87 59.69 2jw2 n SER 43 Cb 0.68 -0.72 0.22 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.51 2.74 -0.23 1.43 1.13 -0.57 -4.54 117.38 114.82 2jw2 n GLN 44 Ca -0.01 -3.04 -0.08 0.00 -1.94 0.00 0.00 57.00 51.93 2jw2 n GLN 44 Cb 0.15 -2.19 0.04 0.00 0.11 0.00 0.00 30.24 28.34 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 1.56 1.09 -2.43 1.08 -1.00 -1.91 -3.42 116.94 111.92 2jw2 h PHE 45 Ca 0.52 -0.13 -0.56 0.00 2.81 0.00 0.00 57.97 60.61 2jw2 h PHE 45 Cb 2.70 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 41.95 2jw2 h PHE 45 CO 1.50 0.90 1.27 -2.14 -1.61 0.00 0.00 178.31 178.23 2jw2 s PRO 46 N -5.33 3.68 0.15 1.51 0.02 -1.26 -4.64 135.00 129.12 2jw2 s PRO 46 Ca -0.12 2.02 -0.23 0.00 0.02 0.00 0.00 61.00 62.69 2jw2 s PRO 46 Cb 0.14 -4.17 0.08 0.00 0.02 0.00 0.00 34.50 30.56 2jw2 s PRO 46 CO 0.83 -1.46 1.09 0.96 -0.33 0.00 0.00 177.00 178.08 2jw2 s ILE 47 N 5.97 0.00 -0.72 2.83 -4.36 -1.26 -5.07 121.20 118.59 2jw2 s ILE 47 Ca 0.85 -0.51 -0.25 0.00 -0.26 0.00 0.00 60.65 60.48 2jw2 s ILE 47 Cb -0.32 -2.92 -0.15 0.00 1.25 0.00 0.00 42.46 40.33 2jw2 s ILE 47 CO 0.34 0.00 2.44 -3.20 0.24 0.00 0.00 174.94 174.76 2jw2 n ASN 48 N -1.21 1.41 0.21 4.36 5.15 -1.26 -4.78 115.26 119.15 2jw2 n ASN 48 Ca -0.02 -0.70 -0.13 0.00 -0.60 0.00 0.00 54.58 53.13 2jw2 n ASN 48 Cb 0.59 -1.38 -0.07 0.00 -0.53 0.00 0.00 39.78 38.38 2jw2 n ASN 48 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2jw2 h ILE 49 N 7.67 0.48 -0.85 -1.44 2.04 -1.98 -2.30 117.51 121.14 2jw2 h ILE 49 Ca -0.11 -0.52 0.19 0.00 1.00 0.00 0.00 64.86 65.43 2jw2 h ILE 49 Cb 1.18 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.83 2jw2 h ILE 49 CO 1.20 0.08 0.33 1.62 0.00 0.00 0.00 178.15 181.38 2jw2 h VAL 50 N -0.91 0.51 0.00 1.67 3.04 -1.99 0.29 116.25 118.86 2jw2 h VAL 50 Ca -0.06 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2jw2 h VAL 50 Cb 0.56 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 2jw2 h VAL 50 CO 0.09 0.07 -0.18 0.00 -1.01 0.00 0.00 177.57 176.55 2jw2 h ALA 51 N 1.67 0.95 -0.00 3.17 0.00 -1.95 -3.14 119.26 119.95 2jw2 h ALA 51 Ca 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jw2 h ALA 51 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jw2 h ALA 51 CO -0.51 0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.24 2jw2 h VAL 52 N 0.00 1.48 -0.36 0.00 2.07 0.12 1.14 116.25 120.70 2jw2 h VAL 52 Ca -0.00 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.20 2jw2 h VAL 52 Cb 0.86 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2jw2 h VAL 52 CO 0.02 0.37 0.26 0.11 0.02 0.00 0.00 177.57 178.35 2jw2 h LYS 53 N -0.58 0.07 0.03 1.57 1.57 -1.28 0.24 116.57 118.20 2jw2 h LYS 53 Ca -0.00 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2jw2 h LYS 53 Cb 0.61 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2jw2 h LYS 53 CO 0.00 0.05 -1.52 0.09 -0.57 0.00 0.00 179.45 177.50 2jw2 n ASN 54 N -4.45 1.93 0.12 0.86 5.03 -1.18 -3.63 115.26 113.95 2jw2 n ASN 54 Ca 0.05 0.36 -0.05 0.00 0.87 0.00 0.00 54.58 55.81 2jw2 n ASN 54 Cb 0.39 -0.93 -0.02 0.00 -1.02 0.00 0.00 39.78 38.19 2jw2 n ASN 54 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2jw2 h ASP 55 N -0.72 -0.27 0.00 6.41 3.58 0.17 -2.87 116.42 122.72 2jw2 h ASP 55 Ca -0.39 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2jw2 h ASP 55 Cb 1.51 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2jw2 h ASP 55 CO -0.15 -0.16 0.00 1.41 -2.88 0.00 0.00 179.24 177.47 2jw2 n HIS 56 N -3.07 0.00 -0.02 0.28 8.25 0.83 -3.25 115.22 118.24 2jw2 n HIS 56 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2jw2 n HIS 56 Cb 0.13 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.90 2jw2 n HIS 56 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jw2 n ASP 57 N -1.50 2.25 0.00 0.41 8.00 -1.12 -4.84 116.55 119.74 2jw2 n ASP 57 Ca 0.00 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2jw2 n ASP 57 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 2jw2 n ASP 57 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2jw2 n PHE 58 N 1.45 0.00 -3.23 1.24 -1.74 -1.08 -3.68 117.46 110.41 2jw2 n PHE 58 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.92 2jw2 n PHE 58 Cb 0.24 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.23 2jw2 n PHE 58 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2jw2 s LEU 59 N 0.00 -1.15 -0.40 5.98 1.43 -1.26 -4.15 118.68 119.12 2jw2 s LEU 59 Ca 0.00 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2jw2 s LEU 59 Cb 0.00 2.02 0.30 0.00 0.03 0.00 0.00 46.19 48.55 2jw2 s LEU 59 CO 0.00 -0.22 0.74 -0.62 0.23 0.00 0.00 176.35 176.49 2jw2 n GLU 60 N 5.42 0.87 -0.21 1.70 1.02 -1.24 -4.96 120.64 123.23 2jw2 n GLU 60 Ca -0.04 -2.91 0.24 0.00 -0.02 0.00 0.00 57.16 54.43 2jw2 n GLU 60 Cb 0.51 -1.42 0.37 0.00 -0.02 0.00 0.00 31.44 30.88 2jw2 n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jw2 n LYS 61 N 0.81 0.01 -0.09 3.49 4.76 -1.26 0.26 118.16 126.15 2jw2 n LYS 61 Ca 0.19 0.79 -0.18 0.00 -2.87 0.00 0.00 58.31 56.24 2jw2 n LYS 61 Cb 0.62 -1.96 -0.12 0.00 -1.84 0.00 0.00 35.03 31.73 2jw2 n LYS 61 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2jw2 h ASP 62 N 0.00 0.01 0.05 4.39 3.04 -2.02 -3.29 116.42 118.61 2jw2 h ASP 62 Ca 0.42 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2jw2 h ASP 62 Cb 2.35 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.63 2jw2 h ASP 62 CO -0.00 1.28 -0.03 0.18 -2.04 0.00 0.00 179.24 178.63 2jw2 n LEU 63 N -4.49 0.97 -0.00 0.15 4.77 0.46 -3.60 117.00 115.25 2jw2 n LEU 63 Ca -0.22 -0.30 -0.06 0.00 -0.03 0.00 0.00 56.01 55.40 2jw2 n LEU 63 Cb 0.60 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 2jw2 n LEU 63 CO 0.26 0.16 -0.42 0.58 -1.33 0.00 0.00 177.39 176.64 2jw2 h VAL 64 N 1.47 0.78 0.60 4.08 2.07 0.35 -3.25 116.25 122.36 2jw2 h VAL 64 Ca 0.00 -2.53 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 2jw2 h VAL 64 Cb 0.36 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2jw2 h VAL 64 CO 0.00 0.45 -0.32 -0.33 0.02 0.00 0.00 177.57 177.38 2jw2 h GLU 65 N 0.00 -0.82 -0.78 1.57 4.39 -1.62 -1.45 114.58 115.86 2jw2 h GLU 65 Ca -0.24 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2jw2 h GLU 65 Cb 1.88 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 2jw2 h GLU 65 CO 0.07 -0.54 0.47 -1.00 -1.16 0.00 0.00 179.01 176.85 2jw2 h PRO 66 N -0.85 1.06 -0.48 2.33 0.13 -1.76 -2.71 132.00 129.73 2jw2 h PRO 66 Ca -0.08 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2jw2 h PRO 66 Cb 0.66 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.52 2jw2 h PRO 66 CO 0.11 0.74 0.19 1.25 -0.23 0.00 0.00 178.00 180.06 2jw2 h LEU 67 N 1.08 0.21 -2.06 1.56 5.85 -1.57 0.45 115.31 120.83 2jw2 h LEU 67 Ca 0.28 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2jw2 h LEU 67 Cb -0.05 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jw2 h LEU 67 CO -0.05 0.15 -0.09 0.00 -0.34 0.00 0.00 178.44 178.11 2jw2 h ARG 69 N 0.00 0.41 0.34 0.00 9.65 -0.78 -2.38 114.38 121.62 2jw2 h ARG 69 Ca -0.00 -0.27 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 2jw2 h ARG 69 Cb 0.26 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2jw2 h ARG 69 CO 0.01 0.87 -0.16 0.00 2.80 0.00 0.00 179.97 183.48 2jw2 h ARG 70 N 0.01 -0.44 -0.84 0.20 2.47 -0.96 -2.14 114.38 112.69 2jw2 h ARG 70 Ca 0.01 0.03 0.20 0.00 -1.26 0.00 0.00 59.98 58.96 2jw2 h ARG 70 Cb 0.85 0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 29.12 2jw2 h ARG 70 CO 0.06 -0.29 -0.01 -0.07 0.56 0.00 0.00 179.97 180.22 2jw2 h LEU 71 N -0.56 -0.42 -1.69 3.04 3.38 -1.59 1.57 115.31 119.03 2jw2 h LEU 71 Ca -0.05 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2jw2 h LEU 71 Cb 0.35 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2jw2 h LEU 71 CO 0.08 -0.24 0.43 -1.13 0.09 0.00 0.00 178.44 177.67 2jw2 h ASN 72 N 0.07 0.30 0.33 -0.43 -0.73 -1.41 0.40 115.58 114.12 2jw2 h ASN 72 Ca 0.47 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.63 2jw2 h ASN 72 Cb 0.86 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.41 2jw2 h ASN 72 CO -0.76 0.17 -0.16 0.74 -0.37 0.00 0.00 177.43 177.05 2jw2 h THR 73 N 0.33 0.00 -0.14 -3.57 2.02 0.29 -3.20 112.91 108.64 2jw2 h THR 73 Ca 0.30 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2jw2 h THR 73 Cb 0.73 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 2jw2 h THR 73 CO -0.07 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.57 2jw2 h LEU 74 N -0.80 -0.53 -1.30 2.58 4.07 -1.01 0.12 115.31 118.44 2jw2 h LEU 74 Ca -0.05 0.10 0.31 0.00 0.08 0.00 0.00 57.88 58.32 2jw2 h LEU 74 Cb 0.34 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 2jw2 h LEU 74 CO 0.08 -0.22 1.14 0.78 -1.08 0.00 0.00 178.44 179.13 2jw2 h ASN 75 N -0.21 0.00 0.12 -0.43 4.21 -0.33 1.98 115.58 120.92 2jw2 h ASN 75 Ca 0.10 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.25 2jw2 h ASN 75 Cb 0.36 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.52 2jw2 h ASN 75 CO -0.27 0.00 -2.13 0.29 -1.29 0.00 0.00 177.43 174.04 2jw2 n LYS 76 N -3.40 0.71 0.02 0.81 4.01 0.29 -4.19 118.16 116.40 2jw2 n LYS 76 Ca 0.24 0.22 0.13 0.00 -0.51 0.00 0.00 58.31 58.39 2jw2 n LYS 76 Cb 1.46 -1.65 0.45 0.00 -0.51 0.00 0.00 35.03 34.78 2jw2 n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jw2 n ALA 78 N -1.56 2.50 0.12 0.00 0.00 0.58 -3.16 120.51 119.00 2jw2 n ALA 78 Ca 0.06 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 2jw2 n ALA 78 Cb 0.36 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.20 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 0.60 -6.43 0.00 0.02 -1.77 -3.48 113.55 102.49 2jw2 h SER 79 Ca 0.00 -0.66 -0.35 0.00 -0.84 0.00 0.00 61.79 59.94 2jw2 h SER 79 Cb 0.08 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.45 2jw2 h SER 79 CO 0.00 1.52 -1.13 0.23 -1.14 0.00 0.00 176.83 176.31 2jw2 n MET 80 N -3.60 -1.97 0.00 3.45 2.81 -1.19 -5.20 117.12 111.43 2jw2 n MET 80 Ca -0.13 1.48 0.14 0.00 -1.81 0.00 0.00 57.70 57.38 2jw2 n MET 80 Cb 1.06 -2.45 0.82 0.00 -0.71 0.00 0.00 33.22 31.94 2jw2 n MET 80 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11