#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 -1.81 -3.44 1.12 8.25 -1.26 -5.17 115.22 112.91 2jw2 n HIS 2 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2jw2 n HIS 2 Cb 0.00 0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2jw2 n HIS 2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jw2 s HIS 3 N -0.99 -0.50 -0.69 4.41 0.09 -1.26 -5.11 115.29 111.25 2jw2 s HIS 3 Ca 0.00 0.33 -0.25 0.00 -0.00 0.00 0.00 55.06 55.14 2jw2 s HIS 3 Cb 0.00 0.55 0.05 0.00 -0.00 0.00 0.00 32.58 33.18 2jw2 s HIS 3 CO 0.00 -0.77 1.11 -1.01 -0.00 0.00 0.00 174.74 174.07 2jw2 s HIS 4 N -3.53 2.50 0.00 1.40 0.09 -1.26 -4.64 115.29 109.85 2jw2 s HIS 4 Ca 0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 55.06 54.81 2jw2 s HIS 4 Cb -0.01 -4.44 0.00 0.00 -0.00 0.00 0.00 32.58 28.13 2jw2 s HIS 4 CO -0.11 -1.83 0.36 1.58 -0.00 0.00 0.00 174.74 174.74 2jw2 n HIS 5 N 8.47 0.00 -3.88 1.40 -0.00 -1.26 -5.09 115.22 114.87 2jw2 n HIS 5 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 2jw2 n HIS 5 Cb 0.47 0.04 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 2jw2 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jw2 s HIS 6 N 0.00 3.44 0.00 1.57 4.02 -1.26 -5.08 115.29 117.98 2jw2 s HIS 6 Ca 0.00 0.36 0.00 0.00 1.02 0.00 0.00 55.06 56.44 2jw2 s HIS 6 Cb 0.00 -2.03 0.00 0.00 -1.02 0.00 0.00 32.58 29.53 2jw2 s HIS 6 CO 0.00 0.46 0.00 1.58 1.02 0.00 0.00 174.74 177.80 2jw2 n HIS 7 N 2.83 0.00 -2.87 1.40 -0.00 -1.26 -5.05 115.22 110.26 2jw2 n HIS 7 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.48 2jw2 n HIS 7 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2jw2 n HIS 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jw2 s SER 8 N -1.00 -1.11 -0.31 0.26 0.01 -1.26 -5.10 113.70 105.19 2jw2 s SER 8 Ca 0.00 -1.81 -0.02 0.00 1.31 0.00 0.00 55.95 55.43 2jw2 s SER 8 Cb 0.00 1.64 0.11 0.00 0.21 0.00 0.00 66.02 67.97 2jw2 s SER 8 CO 0.00 -0.07 0.13 -0.44 0.41 0.00 0.00 173.24 173.27 2jw2 s SER 9 N 0.86 3.64 0.11 2.44 0.01 -1.26 -5.13 113.70 114.38 2jw2 s SER 9 Ca 0.29 -1.55 0.10 0.00 1.31 0.00 0.00 55.95 56.10 2jw2 s SER 9 Cb -0.00 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2jw2 s SER 9 CO -0.07 -0.41 -0.22 -0.83 0.41 0.00 0.00 173.24 172.12 2jw2 s GLY 10 N 1.77 1.62 0.48 3.44 0.00 -1.26 -5.13 107.32 108.23 2jw2 s GLY 10 Ca 0.11 -1.38 -0.14 0.00 0.00 0.00 0.00 44.72 43.30 2jw2 s GLY 10 CO -0.28 -1.35 0.90 0.48 0.00 0.00 0.00 173.10 172.85 2jw2 s LEU 11 N -1.99 3.69 -0.47 0.66 2.34 -1.26 -5.04 118.68 116.61 2jw2 s LEU 11 Ca 0.16 1.40 0.07 0.00 0.06 0.00 0.00 54.13 55.81 2jw2 s LEU 11 Cb -0.10 -4.32 0.24 0.00 -0.56 0.00 0.00 46.19 41.45 2jw2 s LEU 11 CO 0.07 -0.52 0.55 1.33 -1.06 0.00 0.00 176.35 176.73 2jw2 n VAL 12 N -1.50 0.13 -0.66 1.48 0.24 -1.26 -5.11 118.33 111.65 2jw2 n VAL 12 Ca 0.05 -4.29 0.00 0.00 -2.04 0.00 0.00 64.34 58.06 2jw2 n VAL 12 Cb 0.54 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 2jw2 n VAL 12 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jw2 n PRO 13 N 1.47 0.52 -0.28 7.34 -0.04 -1.26 -5.04 135.00 137.71 2jw2 n PRO 13 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2jw2 n PRO 13 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2jw2 n PRO 13 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jw2 n ARG 14 N -0.55 0.00 0.00 0.54 -4.01 -1.26 -4.80 116.66 106.58 2jw2 n ARG 14 Ca 0.00 -0.76 0.00 0.00 -1.04 0.00 0.00 57.85 56.05 2jw2 n ARG 14 Cb 0.00 -0.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.93 2jw2 n ARG 14 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2jw2 n GLY 15 N 0.00 0.45 0.92 2.89 0.00 -1.26 -4.70 105.19 103.50 2jw2 n GLY 15 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.32 2.65 -0.38 1.61 7.64 -1.26 -4.40 113.62 119.16 2jw2 n SER 16 Ca 0.00 -2.20 0.37 0.00 1.01 0.00 0.00 58.87 58.05 2jw2 n SER 16 Cb 0.05 -0.40 0.61 0.00 -1.01 0.00 0.00 64.21 63.46 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 2.20 0.00 0.43 1.43 4.15 -1.93 0.16 115.11 121.54 2jw2 h GLN 17 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jw2 h GLN 17 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2jw2 h GLN 17 CO 0.10 0.00 -0.21 0.93 -1.93 0.00 0.00 178.83 177.73 2jw2 h GLU 18 N 0.00 -0.56 -0.63 1.69 4.39 -2.00 -1.57 114.58 115.90 2jw2 h GLU 18 Ca 0.64 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.50 2jw2 h GLU 18 Cb 3.08 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 31.82 2jw2 h GLU 18 CO -0.01 -0.37 0.43 0.82 -1.16 0.00 0.00 179.01 178.72 2jw2 h ILE 19 N -0.86 0.83 -0.58 3.13 2.04 -1.11 0.07 117.51 121.03 2jw2 h ILE 19 Ca -0.06 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 2jw2 h ILE 19 Cb 0.44 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2jw2 h ILE 19 CO 0.10 0.06 0.17 -0.33 0.00 0.00 0.00 178.15 178.14 2jw2 h GLU 20 N 0.32 0.91 0.41 2.37 4.39 -1.15 -2.56 114.58 119.28 2jw2 h GLU 20 Ca 0.30 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jw2 h GLU 20 Cb 0.74 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2jw2 h GLU 20 CO -0.08 0.83 -0.32 0.00 -1.16 0.00 0.00 179.01 178.28 2jw2 h ALA 21 N 1.04 -0.74 -0.95 3.43 0.00 0.07 0.64 119.26 122.75 2jw2 h ALA 21 Ca 0.18 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.16 2jw2 h ALA 21 Cb 0.31 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2jw2 h ALA 21 CO -0.00 -0.94 0.61 -0.22 0.00 0.00 0.00 179.25 178.69 2jw2 h LYS 22 N -0.73 0.56 0.11 0.00 1.63 -1.45 -1.31 116.57 115.38 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 0.63 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2jw2 h LYS 22 CO -0.01 0.37 -0.05 0.93 -3.45 0.00 0.00 179.45 177.24 2jw2 h GLU 23 N 0.58 -0.14 -0.95 1.90 4.39 -0.93 -1.84 114.58 117.58 2jw2 h GLU 23 Ca 0.52 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.41 2jw2 h GLU 23 Cb 1.03 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.53 2jw2 h GLU 23 CO -0.26 0.34 -0.25 0.00 -1.16 0.00 0.00 179.01 177.68 2jw2 n ALA 24 N -2.49 0.20 0.05 3.43 0.00 0.22 0.26 120.51 122.18 2jw2 n ALA 24 Ca -0.08 1.04 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 2jw2 n ALA 24 Cb 0.28 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 2jw2 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jw2 h ASP 26 N 0.30 0.00 0.04 0.00 1.82 0.94 -3.23 116.42 116.29 2jw2 h ASP 26 Ca -0.07 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.23 2jw2 h ASP 26 Cb 1.50 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.47 2jw2 h ASP 26 CO 0.16 0.00 -1.89 1.87 -1.61 0.00 0.00 179.24 177.76 2jw2 n TRP 27 N -2.75 0.76 -0.51 0.28 -0.00 0.73 -3.82 117.44 112.13 2jw2 n TRP 27 Ca 0.03 0.25 0.42 0.00 -0.00 0.00 0.00 57.50 58.19 2jw2 n TRP 27 Cb 0.36 -1.09 0.71 0.00 -0.00 0.00 0.00 31.31 31.29 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 -0.55 0.16 0.00 5.87 3.38 -0.74 2.45 115.31 125.87 2jw2 h LEU 28 Ca -0.47 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 2jw2 h LEU 28 Cb 1.66 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2jw2 h LEU 28 CO -0.15 -0.15 -0.91 0.08 0.09 0.00 0.00 178.44 177.40 2jw2 h ARG 29 N 0.04 0.00 0.00 1.13 0.11 -1.70 1.41 114.38 115.36 2jw2 h ARG 29 Ca 0.85 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.93 2jw2 h ARG 29 Cb 2.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.01 2jw2 h ARG 29 CO -0.31 0.46 -0.12 0.00 0.10 0.00 0.00 179.97 180.10 2jw2 n ALA 30 N -2.31 2.44 -0.09 0.08 0.00 0.80 -3.77 120.51 117.66 2jw2 n ALA 30 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 2jw2 n ALA 30 Cb 0.80 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.73 1.24 0.00 0.00 0.00 0.44 -5.00 120.51 115.46 2jw2 n ALA 31 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2jw2 n ALA 31 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 2.10 0.18 2.40 0.00 0.00 -0.99 -5.03 105.19 103.86 2jw2 n GLY 32 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -0.04 0.46 1.61 3.72 0.48 -4.92 117.46 118.77 2jw2 n PHE 33 Ca 0.00 -3.26 0.08 0.00 -0.05 0.00 0.00 57.45 54.22 2jw2 n PHE 33 Cb 0.00 -0.07 0.36 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.15 0.05 0.12 -1.08 -0.04 -1.21 -2.02 135.00 130.98 2jw2 n PRO 34 Ca 0.17 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 2jw2 n PRO 34 Cb 0.72 -1.60 0.13 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.11 0.54 -0.00 -1.91 -3.34 115.11 110.51 2jw2 h GLN 35 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2jw2 h GLN 35 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 2jw2 h GLN 35 CO 0.00 0.00 -0.05 -0.92 -0.00 0.00 0.00 178.83 177.86 2jw2 h TYR 36 N 0.00 -0.14 -1.44 0.06 5.03 -1.78 -3.23 116.97 115.47 2jw2 h TYR 36 Ca 0.00 -0.00 0.49 0.00 2.58 0.00 0.00 58.73 61.79 2jw2 h TYR 36 Cb 0.91 0.05 -0.13 0.00 1.55 0.00 0.00 36.73 39.10 2jw2 h TYR 36 CO 0.00 -0.09 0.94 0.00 -1.32 0.00 0.00 178.16 177.70 2jw2 n ALA 37 N -2.18 1.42 -0.31 1.82 0.00 -1.25 0.14 120.51 120.15 2jw2 n ALA 37 Ca -0.02 0.84 0.17 0.00 0.00 0.00 0.00 53.44 54.43 2jw2 n ALA 37 Cb 0.06 -1.06 0.43 0.00 0.00 0.00 0.00 19.45 18.87 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 0.55 -0.32 0.00 1.08 -1.68 0.15 115.11 114.89 2jw2 h GLN 38 Ca 0.88 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.96 2jw2 h GLN 38 Cb 2.93 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 30.23 2jw2 h GLN 38 CO -0.41 0.36 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.58 2jw2 h LEU 39 N 0.56 0.57 -0.81 1.46 4.07 0.10 -3.10 115.31 118.16 2jw2 h LEU 39 Ca 0.55 -0.18 0.15 0.00 0.08 0.00 0.00 57.88 58.48 2jw2 h LEU 39 Cb 1.13 -0.15 -0.15 0.00 1.08 0.00 0.00 40.66 42.56 2jw2 h LEU 39 CO -0.29 0.77 -0.27 0.22 -1.08 0.00 0.00 178.44 177.79 2jw2 h TYR 40 N 0.52 -0.65 -1.22 1.13 3.20 -0.77 1.70 116.97 120.88 2jw2 h TYR 40 Ca 0.08 0.08 0.35 0.00 3.14 0.00 0.00 58.73 62.38 2jw2 h TYR 40 Cb 0.61 0.41 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 2jw2 h TYR 40 CO 0.02 -0.37 0.86 0.93 -1.64 0.00 0.00 178.16 177.96 2jw2 h GLU 41 N -0.03 0.08 0.00 1.82 5.08 -1.61 1.22 114.58 121.13 2jw2 h GLU 41 Ca 0.36 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2jw2 h GLU 41 Cb 0.60 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jw2 h GLU 41 CO -0.85 0.05 -1.20 -3.47 -1.00 0.00 0.00 179.01 172.55 2jw2 n ASP 42 N -4.28 0.73 0.00 1.42 -0.08 0.55 -4.96 116.55 109.93 2jw2 n ASP 42 Ca 0.27 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 2jw2 n ASP 42 Cb 1.24 0.63 0.00 0.00 2.34 0.00 0.00 41.12 45.33 2jw2 n ASP 42 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jw2 n SER 43 N -2.65 -2.91 -1.21 1.67 3.41 0.42 -4.90 113.62 107.45 2jw2 n SER 43 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 2jw2 n SER 43 Cb 0.59 -0.49 0.11 0.00 -0.26 0.00 0.00 64.21 64.16 2jw2 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jw2 n GLN 44 N -2.97 1.96 -0.25 4.33 1.13 -1.20 -4.29 117.38 116.10 2jw2 n GLN 44 Ca 0.00 -1.11 -0.07 0.00 -1.94 0.00 0.00 57.00 53.89 2jw2 n GLN 44 Cb 0.00 -1.61 0.04 0.00 0.11 0.00 0.00 30.24 28.78 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 0.93 1.02 -2.33 1.08 -1.00 -1.90 -3.41 116.94 111.34 2jw2 h PHE 45 Ca 0.11 -0.07 -0.56 0.00 2.81 0.00 0.00 57.97 60.26 2jw2 h PHE 45 Cb 1.33 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 2jw2 h PHE 45 CO 0.48 0.78 1.31 -2.14 -1.61 0.00 0.00 178.31 177.13 2jw2 s PRO 46 N -5.60 3.66 0.26 1.51 0.02 -1.26 -4.76 135.00 128.83 2jw2 s PRO 46 Ca -0.13 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.84 2jw2 s PRO 46 Cb 0.14 -4.21 0.07 0.00 0.02 0.00 0.00 34.50 30.52 2jw2 s PRO 46 CO 0.81 -1.49 0.95 0.96 -0.33 0.00 0.00 177.00 177.90 2jw2 s ILE 47 N 6.13 0.00 -0.64 2.83 -4.36 -1.26 -5.08 121.20 118.81 2jw2 s ILE 47 Ca 0.89 -0.74 -0.26 0.00 -0.26 0.00 0.00 60.65 60.28 2jw2 s ILE 47 Cb -0.34 -2.92 -0.07 0.00 1.25 0.00 0.00 42.46 40.38 2jw2 s ILE 47 CO 0.36 0.00 2.21 0.21 0.24 0.00 0.00 174.94 177.96 2jw2 s ASN 48 N -3.30 4.62 0.02 4.36 3.04 -1.26 -4.84 114.94 117.58 2jw2 s ASN 48 Ca 0.20 0.42 -0.11 0.00 0.04 0.00 0.00 52.86 53.41 2jw2 s ASN 48 Cb -0.04 -2.53 -0.06 0.00 -1.54 0.00 0.00 41.25 37.09 2jw2 s ASN 48 CO 0.08 -2.96 1.16 0.40 -3.04 0.00 0.00 177.10 172.74 2jw2 h ILE 49 N 7.43 0.00 -0.92 -5.21 2.04 -1.98 -2.99 117.51 115.88 2jw2 h ILE 49 Ca -0.15 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.06 2jw2 h ILE 49 Cb 1.15 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.06 2jw2 h ILE 49 CO 1.15 0.00 0.37 0.55 0.00 0.00 0.00 178.15 180.22 2jw2 n VAL 50 N -3.05 -0.39 0.29 1.67 3.14 -1.26 0.19 118.33 118.92 2jw2 n VAL 50 Ca -0.05 1.91 0.13 0.00 -2.96 0.00 0.00 64.34 63.38 2jw2 n VAL 50 Cb 0.15 -3.01 0.84 0.00 -1.06 0.00 0.00 33.84 30.76 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 1.84 1.60 0.12 1.55 0.00 -1.92 -2.64 119.26 119.81 2jw2 h ALA 51 Ca 0.72 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.25 2jw2 h ALA 51 Cb 1.82 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2jw2 h ALA 51 CO -0.75 0.02 -2.01 1.33 0.00 0.00 0.00 179.25 177.84 2jw2 n VAL 52 N -3.98 1.77 0.29 0.00 0.24 0.49 -3.08 118.33 114.08 2jw2 n VAL 52 Ca -0.03 -0.64 0.15 0.00 -2.04 0.00 0.00 64.34 61.78 2jw2 n VAL 52 Cb 0.10 -1.73 0.81 0.00 -1.47 0.00 0.00 33.84 31.54 2jw2 n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2jw2 h LYS 53 N 0.05 0.00 0.01 7.34 1.57 -1.01 1.45 116.57 125.97 2jw2 h LYS 53 Ca -0.43 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.02 2jw2 h LYS 53 Cb 2.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.28 2jw2 h LYS 53 CO 0.08 0.00 -1.82 0.09 -0.57 0.00 0.00 179.45 177.23 2jw2 n ASN 54 N -2.74 1.92 -0.07 0.86 3.02 -1.03 -4.33 115.26 112.89 2jw2 n ASN 54 Ca -0.02 0.35 -0.05 0.00 -0.03 0.00 0.00 54.58 54.83 2jw2 n ASN 54 Cb 0.28 -0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 38.55 2jw2 n ASN 54 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jw2 n ASP 55 N -4.22 1.75 -1.26 6.41 2.03 -0.53 -4.26 116.55 116.47 2jw2 n ASP 55 Ca -0.40 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2jw2 n ASP 55 Cb 0.80 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2jw2 n ASP 55 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2jw2 n HIS 56 N -4.53 0.00 -1.84 -0.67 -0.00 0.49 -2.35 115.22 106.32 2jw2 n HIS 56 Ca -0.07 -0.38 0.00 0.00 0.46 0.00 0.00 57.72 57.72 2jw2 n HIS 56 Cb 0.27 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 2jw2 n HIS 56 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2jw2 n ASP 57 N 1.07 0.00 -0.04 0.26 -0.08 -1.06 -4.73 116.55 111.97 2jw2 n ASP 57 Ca 0.00 -1.83 0.19 0.00 -1.51 0.00 0.00 54.79 51.64 2jw2 n ASP 57 Cb 0.28 -0.17 0.29 0.00 2.34 0.00 0.00 41.12 43.87 2jw2 n ASP 57 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2jw2 n PHE 58 N 0.00 0.00 -0.70 -0.67 1.16 -0.99 -4.37 117.46 111.89 2jw2 n PHE 58 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.36 2jw2 n PHE 58 Cb 0.67 -0.18 0.19 0.00 -1.61 0.00 0.00 39.48 38.55 2jw2 n PHE 58 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2jw2 n LEU 59 N -3.00 0.00 -4.32 5.98 7.94 -1.26 -4.92 117.00 117.42 2jw2 n LEU 59 Ca 0.16 -0.79 -0.37 0.00 -1.11 0.00 0.00 56.01 53.89 2jw2 n LEU 59 Cb 1.36 -0.73 0.04 0.00 0.53 0.00 0.00 43.42 44.62 2jw2 n LEU 59 CO 0.16 -2.03 -0.38 -1.84 -1.11 0.00 0.00 177.39 172.19 2jw2 n GLU 60 N -4.18 0.18 0.02 1.96 0.28 -1.26 -4.86 120.64 112.78 2jw2 n GLU 60 Ca 0.11 0.08 -0.05 0.00 -0.16 0.00 0.00 57.16 57.14 2jw2 n GLU 60 Cb 0.43 -1.42 0.16 0.00 1.43 0.00 0.00 31.44 32.04 2jw2 n GLU 60 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2jw2 h LYS 61 N -0.28 0.46 0.00 3.44 3.64 -1.91 -2.48 116.57 119.44 2jw2 h LYS 61 Ca -0.44 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2jw2 h LYS 61 Cb 1.38 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2jw2 h LYS 61 CO 0.40 0.76 0.05 -3.47 -2.27 0.00 0.00 179.45 174.92 2jw2 n ASP 62 N -4.05 0.00 -1.23 4.20 2.03 -1.26 0.80 116.55 117.04 2jw2 n ASP 62 Ca -0.01 0.22 0.12 0.00 0.52 0.00 0.00 54.79 55.63 2jw2 n ASP 62 Cb 0.48 -0.22 0.26 0.00 -0.72 0.00 0.00 41.12 40.93 2jw2 n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jw2 n LEU 63 N -1.17 3.64 -0.05 -2.67 7.94 -0.93 -4.31 117.00 119.45 2jw2 n LEU 63 Ca 0.00 -1.68 -0.22 0.00 -1.11 0.00 0.00 56.01 53.01 2jw2 n LEU 63 Cb 0.05 -0.35 -0.13 0.00 0.53 0.00 0.00 43.42 43.53 2jw2 n LEU 63 CO 0.00 0.84 -0.63 0.58 -1.11 0.00 0.00 177.39 177.07 2jw2 h VAL 64 N 4.39 0.81 0.48 1.96 2.07 0.20 -3.27 116.25 122.90 2jw2 h VAL 64 Ca 0.00 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 2jw2 h VAL 64 Cb 0.98 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2jw2 h VAL 64 CO 0.00 0.58 -0.28 -0.33 0.02 0.00 0.00 177.57 177.56 2jw2 h GLU 65 N -0.51 -0.68 -0.95 1.57 5.08 -1.75 -2.08 114.58 115.26 2jw2 h GLU 65 Ca -0.37 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2jw2 h GLU 65 Cb 1.64 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.96 2jw2 h GLU 65 CO -0.07 -0.45 0.58 -1.00 -1.00 0.00 0.00 179.01 177.06 2jw2 h PRO 66 N -0.71 0.87 -0.57 2.33 0.13 -1.79 -1.71 132.00 130.55 2jw2 h PRO 66 Ca -0.06 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2jw2 h PRO 66 Cb 0.56 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 2jw2 h PRO 66 CO 0.07 0.58 0.30 1.25 -0.23 0.00 0.00 178.00 179.97 2jw2 h LEU 67 N 0.90 0.45 -0.91 1.56 5.85 -1.59 0.24 115.31 121.81 2jw2 h LEU 67 Ca 0.48 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.23 2jw2 h LEU 67 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2jw2 h LEU 67 CO -0.28 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 2jw2 h ARG 69 N 0.00 0.20 0.56 0.00 2.43 -0.38 -3.23 114.38 113.96 2jw2 h ARG 69 Ca 0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2jw2 h ARG 69 Cb 0.13 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2jw2 h ARG 69 CO 0.00 1.17 -0.27 0.00 -1.51 0.00 0.00 179.97 179.36 2jw2 h ARG 70 N -0.36 -0.73 -0.71 0.20 2.47 -0.72 -2.16 114.38 112.38 2jw2 h ARG 70 Ca -0.33 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 58.59 2jw2 h ARG 70 Cb 1.73 0.16 -0.11 0.00 -1.65 0.00 0.00 29.97 30.10 2jw2 h ARG 70 CO 0.02 -0.48 0.09 -0.07 0.56 0.00 0.00 179.97 180.08 2jw2 h LEU 71 N -1.17 -0.15 -1.47 3.04 3.38 -1.55 0.50 115.31 117.87 2jw2 h LEU 71 Ca -0.08 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2jw2 h LEU 71 Cb 0.58 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2jw2 h LEU 71 CO 0.13 -0.10 0.41 -1.13 0.09 0.00 0.00 178.44 177.84 2jw2 h ASN 72 N 0.18 0.58 0.60 -0.43 -0.73 -1.59 0.25 115.58 114.44 2jw2 h ASN 72 Ca 0.39 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.53 2jw2 h ASN 72 Cb 0.66 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 39.13 2jw2 h ASN 72 CO -0.55 0.39 -0.29 0.74 -0.37 0.00 0.00 177.43 177.35 2jw2 h THR 73 N 0.67 0.32 -0.02 -3.57 2.02 0.65 -2.68 112.91 110.31 2jw2 h THR 73 Ca 0.26 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2jw2 h THR 73 Cb 0.17 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2jw2 h THR 73 CO -0.07 0.03 0.01 -0.07 0.37 0.00 0.00 175.52 175.79 2jw2 h LEU 74 N -1.00 0.02 -1.53 2.58 4.07 -1.06 -0.92 115.31 117.47 2jw2 h LEU 74 Ca -0.08 -0.08 0.22 0.00 0.08 0.00 0.00 57.88 58.02 2jw2 h LEU 74 Cb 0.67 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 2jw2 h LEU 74 CO 0.14 0.10 0.85 0.78 -1.08 0.00 0.00 178.44 179.22 2jw2 h ASN 75 N -0.06 0.00 0.46 -0.43 2.35 -0.53 2.58 115.58 119.96 2jw2 h ASN 75 Ca 0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2jw2 h ASN 75 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2jw2 h ASN 75 CO -0.00 0.00 -1.71 0.29 -1.65 0.00 0.00 177.43 174.36 2jw2 n LYS 76 N -3.48 0.64 0.00 0.81 5.02 -0.62 -4.07 118.16 116.46 2jw2 n LYS 76 Ca 0.16 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 2jw2 n LYS 76 Cb 1.10 -1.72 0.07 0.00 -0.02 0.00 0.00 35.03 34.46 2jw2 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jw2 n ALA 78 N -1.04 2.48 0.14 0.00 0.00 0.74 -3.56 120.51 119.28 2jw2 n ALA 78 Ca 0.07 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2jw2 n ALA 78 Cb 0.37 -1.49 0.42 0.00 0.00 0.00 0.00 19.45 18.75 2jw2 n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jw2 n SER 79 N -1.30 0.40 -0.66 0.00 7.64 -1.25 -4.92 113.62 113.52 2jw2 n SER 79 Ca 0.14 0.63 0.03 0.00 1.01 0.00 0.00 58.87 60.68 2jw2 n SER 79 Cb 0.25 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 2jw2 n SER 79 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2jw2 n MET 80 N -2.07 -1.67 0.00 1.43 1.56 -1.23 -5.20 117.12 109.94 2jw2 n MET 80 Ca -0.01 1.32 0.15 0.00 -0.27 0.00 0.00 57.70 58.90 2jw2 n MET 80 Cb 0.16 -1.73 0.91 0.00 2.15 0.00 0.00 33.22 34.71 2jw2 n MET 80 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60