#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w n SER 2 N 0.00 -1.36 -4.28 -1.84 7.64 -1.26 -4.27 113.62 108.25 2d2w n SER 2 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2d2w n SER 2 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2d2w s LYS 3 N 0.00 2.61 -0.02 1.43 3.01 -1.26 -4.96 119.74 120.56 2d2w s LYS 3 Ca 0.00 -1.37 0.10 0.00 -1.01 0.00 0.00 55.97 53.69 2d2w s LYS 3 Cb 0.00 -3.70 0.32 0.00 -1.01 0.00 0.00 37.83 33.43 2d2w s LYS 3 CO 0.00 -0.87 1.23 -0.35 0.51 0.00 0.00 175.35 175.87 2d2w n PRO 4 N 4.90 1.95 -0.85 -1.68 -0.04 -1.26 -4.95 135.00 133.06 2d2w n PRO 4 Ca -0.10 -1.28 -0.13 0.00 -0.04 0.00 0.00 63.50 61.95 2d2w n PRO 4 Cb 0.44 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.63 2d2w n PRO 4 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2d2w n PRO 5 N 0.48 -0.60 -3.26 0.54 -0.04 -1.26 -4.92 135.00 125.94 2d2w n PRO 5 Ca 0.12 -0.92 -0.19 0.00 -0.04 0.00 0.00 63.50 62.46 2d2w n PRO 5 Cb 0.35 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.19 2d2w n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d2w n TYR 6 N -2.84 -0.62 -1.53 0.54 4.01 -1.26 -4.86 117.16 110.62 2d2w n TYR 6 Ca 0.07 -1.67 -0.43 0.00 -0.16 0.00 0.00 57.90 55.71 2d2w n TYR 6 Cb 0.26 -0.31 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 2d2w n TYR 6 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2d2w n SER 7 N -1.79 0.25 -4.57 7.72 7.64 -1.26 -4.61 113.62 117.01 2d2w n SER 7 Ca -0.03 1.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.76 2d2w n SER 7 Cb 0.45 -1.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.35 2d2w n SER 7 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2d2w s TYR 8 N -1.24 1.15 0.00 1.43 1.51 -1.26 -1.91 117.35 117.03 2d2w s TYR 8 Ca 0.62 2.16 0.00 0.00 -1.01 0.00 0.00 57.07 58.84 2d2w s TYR 8 Cb -0.66 -3.38 0.00 0.00 -0.11 0.00 0.00 41.96 37.81 2d2w s TYR 8 CO 0.58 -1.20 0.00 0.00 -1.11 0.00 0.00 175.55 173.82 2d2w n ALA 9 N 19.23 0.00 0.06 3.71 0.00 -1.26 -4.88 120.51 137.36 2d2w n ALA 9 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 2d2w n ALA 9 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 2d2w n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d2w h GLN 10 N 0.00 0.00 0.00 0.00 1.08 -1.68 -2.77 115.11 111.74 2d2w h GLN 10 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2d2w h GLN 10 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2d2w h GLN 10 CO 0.00 0.68 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.38 2d2w h LEU 11 N 0.00 0.00 0.01 1.46 -0.00 -1.87 -1.32 115.31 113.59 2d2w h LEU 11 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2d2w h LEU 11 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 2d2w h LEU 11 CO 0.09 0.11 -0.00 0.40 -0.00 0.00 0.00 178.44 179.04 2d2w h ILE 12 N 0.00 1.10 -0.21 1.22 1.08 -1.90 -1.24 117.51 117.55 2d2w h ILE 12 Ca -0.00 -1.79 0.05 0.00 -0.39 0.00 0.00 64.86 62.73 2d2w h ILE 12 Cb 0.26 2.06 -0.07 0.00 -3.07 0.00 0.00 36.82 36.00 2d2w h ILE 12 CO 0.01 0.37 -0.39 0.58 -0.69 0.00 0.00 178.15 178.03 2d2w h VAL 13 N -0.99 0.17 0.00 1.67 2.07 -1.18 0.68 116.25 118.67 2d2w h VAL 13 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2d2w h VAL 13 Cb 0.61 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2d2w h VAL 13 CO 0.00 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 176.92 2d2w h GLN 14 N -0.42 0.00 0.51 1.57 4.15 -1.39 0.50 115.11 120.03 2d2w h GLN 14 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2d2w h GLN 14 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 2d2w h GLN 14 CO -0.44 0.06 -0.24 0.00 -1.93 0.00 0.00 178.83 176.28 2d2w h ALA 15 N 1.94 -0.70 0.04 3.38 0.00 0.15 -2.94 119.26 121.12 2d2w h ALA 15 Ca -0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 2d2w h ALA 15 Cb 0.38 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2d2w h ALA 15 CO 0.01 -0.65 -1.10 -0.84 0.00 0.00 0.00 179.25 176.66 2d2w h ILE 16 N -1.13 1.11 -0.48 0.00 3.07 -0.57 -3.26 117.51 116.24 2d2w h ILE 16 Ca -0.07 -2.29 0.04 0.00 1.55 0.00 0.00 64.86 64.09 2d2w h ILE 16 Cb 0.52 2.61 -0.04 0.00 -0.27 0.00 0.00 36.82 39.64 2d2w h ILE 16 CO 0.11 0.52 0.23 0.28 -1.05 0.00 0.00 178.15 178.25 2d2w h SER 17 N -0.73 0.33 0.21 2.16 0.02 -0.13 -0.63 113.55 114.78 2d2w h SER 17 Ca -0.27 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2d2w h SER 17 Cb 1.43 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2d2w h SER 17 CO -0.07 0.23 0.00 -1.20 -1.14 0.00 0.00 176.83 174.65 2d2w n SER 18 N -4.91 0.00 -4.82 3.07 7.64 -1.11 -4.73 113.62 108.77 2d2w n SER 18 Ca 0.04 -0.57 -0.36 0.00 1.01 0.00 0.00 58.87 58.98 2d2w n SER 18 Cb 0.13 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.15 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w s ALA 19 N -2.23 3.78 0.42 -0.43 0.00 -0.24 -4.94 121.76 118.12 2d2w s ALA 19 Ca 0.36 -0.60 0.27 0.00 0.00 0.00 0.00 51.96 51.99 2d2w s ALA 19 Cb 0.19 -2.11 1.36 0.00 0.00 0.00 0.00 23.12 22.56 2d2w s ALA 19 CO 0.36 0.42 1.64 0.37 0.00 0.00 0.00 175.76 178.56 2d2w h GLN 20 N 5.60 0.13 -5.20 0.00 5.75 -1.85 -3.20 115.11 116.35 2d2w h GLN 20 Ca -0.49 -0.01 -0.66 0.00 -0.15 0.00 0.00 58.65 57.34 2d2w h GLN 20 Cb 1.20 -0.03 -0.16 0.00 1.07 0.00 0.00 27.48 29.56 2d2w h GLN 20 CO 0.65 0.09 0.29 -0.51 -2.65 0.00 0.00 178.83 176.70 2d2w s ASP 21 N -4.62 6.22 0.07 -0.69 1.01 -1.26 -4.87 116.67 112.53 2d2w s ASP 21 Ca -0.08 -0.94 0.04 0.00 0.71 0.00 0.00 52.55 52.29 2d2w s ASP 21 Cb 0.29 -2.35 0.24 0.00 1.01 0.00 0.00 42.92 42.11 2d2w s ASP 21 CO 0.81 -1.14 1.12 -2.11 0.21 0.00 0.00 175.17 174.06 2d2w n ARG 22 N 6.84 0.03 -4.55 8.23 0.00 -1.21 -4.45 116.66 121.55 2d2w n ARG 22 Ca -0.05 0.52 -0.34 0.00 -0.00 0.00 0.00 57.85 57.98 2d2w n ARG 22 Cb 0.45 -1.61 -0.12 0.00 -0.00 0.00 0.00 32.46 31.18 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2d2w s GLN 23 N -3.09 3.09 0.13 2.89 -2.07 -1.26 -3.20 119.66 116.15 2d2w s GLN 23 Ca -0.00 -0.53 0.07 0.00 -1.82 0.00 0.00 55.36 53.07 2d2w s GLN 23 Cb 0.01 -2.71 -0.04 0.00 -1.09 0.00 0.00 33.01 29.19 2d2w s GLN 23 CO 0.04 0.51 -0.17 -0.51 -1.32 0.00 0.00 175.29 173.84 2d2w s LEU 24 N -0.40 2.38 0.96 2.60 1.43 0.04 -4.96 118.68 120.74 2d2w s LEU 24 Ca 0.06 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2d2w s LEU 24 Cb -0.12 -0.72 0.19 0.00 0.03 0.00 0.00 46.19 45.57 2d2w s LEU 24 CO 0.02 -0.05 1.28 0.28 0.23 0.00 0.00 176.35 178.10 2d2w s THR 25 N -1.79 1.96 0.30 5.49 -1.32 -1.26 -2.06 115.64 116.96 2d2w s THR 25 Ca 0.09 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.57 2d2w s THR 25 Cb -0.07 -2.94 0.27 0.00 -1.51 0.00 0.00 72.50 68.25 2d2w s THR 25 CO 0.04 0.00 1.95 0.25 -2.21 0.00 0.00 174.62 174.65 2d2w h LEU 26 N -1.64 0.92 -3.98 9.08 6.46 -1.82 -1.03 115.31 123.29 2d2w h LEU 26 Ca -0.45 -0.01 -0.56 0.00 -0.12 0.00 0.00 57.88 56.74 2d2w h LEU 26 Cb 1.26 -0.22 -0.30 0.00 -0.73 0.00 0.00 40.66 40.67 2d2w h LEU 26 CO 0.43 0.64 0.71 -1.20 -0.62 0.00 0.00 178.44 178.40 2d2w n SER 27 N -4.44 4.80 -0.13 1.25 7.64 -1.26 -4.38 113.62 117.11 2d2w n SER 27 Ca 0.11 -3.64 -0.27 0.00 1.01 0.00 0.00 58.87 56.08 2d2w n SER 27 Cb 0.09 -0.88 -0.09 0.00 -1.01 0.00 0.00 64.21 62.32 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d2w n GLY 28 N -1.07 -0.41 0.38 0.23 0.00 -0.39 -4.20 105.19 99.73 2d2w n GLY 28 Ca 0.60 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.66 2d2w n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2d2w h ILE 29 N -0.84 0.77 -0.01 -0.61 2.10 -1.76 -0.08 117.51 117.07 2d2w h ILE 29 Ca -0.64 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.19 2d2w h ILE 29 Cb 1.59 0.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.74 2d2w h ILE 29 CO -0.37 0.06 -0.00 1.88 -1.08 0.00 0.00 178.15 178.64 2d2w h TYR 30 N 0.32 0.03 0.00 2.19 0.05 -1.82 -1.49 116.97 116.25 2d2w h TYR 30 Ca 0.35 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.13 2d2w h TYR 30 Cb 0.92 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2d2w h TYR 30 CO -0.00 0.39 0.00 0.00 -1.05 0.00 0.00 178.16 177.50 2d2w h ALA 31 N 0.63 1.00 0.05 3.88 0.00 -1.49 -2.85 119.26 120.47 2d2w h ALA 31 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d2w h ALA 31 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d2w h ALA 31 CO 0.00 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.48 2d2w h HIS 32 N 0.00 -0.06 -0.36 0.00 -0.00 -0.78 -3.32 115.15 110.64 2d2w h HIS 32 Ca 0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2d2w h HIS 32 Cb 0.48 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 2d2w h HIS 32 CO 0.00 0.49 0.24 0.97 -0.00 0.00 0.00 177.93 179.64 2d2w h ILE 33 N -0.95 0.97 0.00 6.26 2.10 -1.26 -1.52 117.51 123.11 2d2w h ILE 33 Ca -0.01 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2d2w h ILE 33 Cb 0.58 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 2d2w h ILE 33 CO 0.01 0.05 0.15 0.71 -1.08 0.00 0.00 178.15 177.99 2d2w h THR 34 N 0.28 0.00 0.00 2.19 1.35 -1.60 0.12 112.91 115.26 2d2w h THR 34 Ca 0.16 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.75 2d2w h THR 34 Cb 0.27 0.67 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 2d2w h THR 34 CO -0.03 0.00 -1.46 0.50 -0.25 0.00 0.00 175.52 174.28 2d2w h LYS 35 N 0.00 0.01 0.00 4.72 3.64 -1.44 -3.43 116.57 120.07 2d2w h LYS 35 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2d2w h LYS 35 Cb 0.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2d2w h LYS 35 CO 0.00 0.69 0.00 0.72 -2.27 0.00 0.00 179.45 178.59 2d2w n HIS 36 N -3.17 0.00 -2.64 1.91 -0.00 0.36 -4.85 115.22 106.83 2d2w n HIS 36 Ca -0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.18 2d2w n HIS 36 Cb 1.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 30.95 2d2w n HIS 36 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2d2w s TYR 37 N -0.15 3.26 -2.00 4.41 2.02 -0.76 -4.88 117.35 119.25 2d2w s TYR 37 Ca 0.00 1.37 0.18 0.00 -0.37 0.00 0.00 57.07 58.25 2d2w s TYR 37 Cb 0.00 -3.40 1.04 0.00 -0.40 0.00 0.00 41.96 39.20 2d2w s TYR 37 CO 0.00 -0.62 1.55 -0.35 -1.57 0.00 0.00 175.55 174.57 2d2w n PRO 38 N 6.50 0.82 -0.01 -1.71 -0.04 -1.26 -3.18 135.00 136.12 2d2w n PRO 38 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 2d2w n PRO 38 Cb 0.46 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 2d2w n PRO 38 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2d2w h TYR 39 N 0.00 0.19 -2.45 0.54 3.20 -1.92 -3.42 116.97 113.12 2d2w h TYR 39 Ca 0.00 -0.14 -0.71 0.00 3.14 0.00 0.00 58.73 61.02 2d2w h TYR 39 Cb 0.00 -0.01 -0.18 0.00 1.54 0.00 0.00 36.73 38.08 2d2w h TYR 39 CO 0.00 1.29 0.94 0.71 -1.64 0.00 0.00 178.16 179.46 2d2w s TYR 40 N -2.59 3.30 0.00 -3.82 1.51 -1.19 -4.33 117.35 110.23 2d2w s TYR 40 Ca -0.11 -1.69 0.00 0.00 -1.01 0.00 0.00 57.07 54.26 2d2w s TYR 40 Cb 0.07 -4.25 0.00 0.00 -0.11 0.00 0.00 41.96 37.67 2d2w s TYR 40 CO 0.81 -1.42 0.00 2.89 -1.11 0.00 0.00 175.55 176.72 2d2w n ARG 41 N 6.02 0.00 -2.68 -0.62 1.85 -1.26 -3.88 116.66 116.09 2d2w n ARG 41 Ca 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.07 2d2w n ARG 41 Cb 0.47 -0.12 0.06 0.00 -1.05 0.00 0.00 32.46 31.82 2d2w n ARG 41 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2d2w n THR 42 N -1.44 0.00 -0.00 8.89 5.66 -1.26 -5.05 114.28 121.08 2d2w n THR 42 Ca 0.00 -0.97 -0.01 0.00 -3.05 0.00 0.00 64.05 60.02 2d2w n THR 42 Cb 0.00 0.94 -0.00 0.00 -1.55 0.00 0.00 70.33 69.71 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d2w n ALA 43 N -0.15 1.86 -2.65 1.79 0.00 -1.26 -5.07 120.51 115.03 2d2w n ALA 43 Ca -0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 2d2w n ALA 43 Cb 0.73 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 2d2w n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d2w s ASP 44 N -4.99 1.42 -0.85 0.00 1.11 -1.26 -5.08 116.67 107.01 2d2w s ASP 44 Ca -0.04 -0.31 -0.20 0.00 0.18 0.00 0.00 52.55 52.18 2d2w s ASP 44 Cb 0.00 -0.12 0.11 0.00 1.07 0.00 0.00 42.92 43.98 2d2w s ASP 44 CO 0.05 0.08 1.08 -0.75 1.18 0.00 0.00 175.17 176.82 2d2w s LYS 45 N -0.65 3.46 0.22 8.23 2.20 -1.26 -4.52 119.74 127.43 2d2w s LYS 45 Ca 0.03 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 2d2w s LYS 45 Cb -0.06 -4.74 0.00 0.00 -1.51 0.00 0.00 37.83 31.52 2d2w s LYS 45 CO 0.00 -1.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.62 2d2w n GLY 46 N 5.49 -0.86 0.11 5.54 0.00 -1.26 -4.87 105.19 109.34 2d2w n GLY 46 Ca 0.16 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.39 2d2w n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2d2w n TRP 47 N -3.04 0.43 0.12 1.61 4.27 -1.26 -2.28 117.44 117.29 2d2w n TRP 47 Ca 0.00 0.23 -0.05 0.00 -3.89 0.00 0.00 57.50 53.78 2d2w n TRP 47 Cb 0.00 -0.82 -0.03 0.00 -1.36 0.00 0.00 31.31 29.11 2d2w n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2d2w h GLN 48 N 0.00 -0.32 -0.12 -2.67 1.08 -1.89 -0.23 115.11 110.96 2d2w h GLN 48 Ca 0.00 0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.06 2d2w h GLN 48 Cb 0.12 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2d2w h GLN 48 CO 0.00 -0.22 -0.62 -0.97 -0.95 0.00 0.00 178.83 176.08 2d2w h ASN 49 N -0.34 0.46 -0.28 1.46 -1.24 -1.92 -2.79 115.58 110.94 2d2w h ASN 49 Ca -0.03 -0.27 0.08 0.00 0.71 0.00 0.00 56.30 56.79 2d2w h ASN 49 Cb 0.27 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2d2w h ASN 49 CO 0.03 0.97 0.22 0.77 -1.29 0.00 0.00 177.43 178.13 2d2w h SER 50 N 0.30 0.00 0.40 1.15 4.64 -1.43 -1.35 113.55 117.25 2d2w h SER 50 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2d2w h SER 50 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2d2w h SER 50 CO 0.11 0.00 -0.19 0.40 -0.87 0.00 0.00 176.83 176.28 2d2w h ILE 51 N 0.00 0.15 -1.01 0.95 5.03 -0.75 -0.07 117.51 121.82 2d2w h ILE 51 Ca 0.13 -0.65 0.29 0.00 -0.12 0.00 0.00 64.86 64.52 2d2w h ILE 51 Cb 0.57 0.25 -0.04 0.00 -3.03 0.00 0.00 36.82 34.57 2d2w h ILE 51 CO -0.00 0.04 0.74 -0.09 -0.68 0.00 0.00 178.15 178.15 2d2w h ARG 52 N -1.10 0.00 -0.06 2.37 1.12 -1.43 0.76 114.38 116.03 2d2w h ARG 52 Ca -0.05 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.58 2d2w h ARG 52 Cb 0.47 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2d2w h ARG 52 CO 0.09 0.00 -0.91 1.25 -3.11 0.00 0.00 179.97 177.29 2d2w h HIS 53 N 0.00 0.96 0.00 2.20 2.76 -1.10 -3.15 115.15 116.83 2d2w h HIS 53 Ca 0.48 -0.48 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2d2w h HIS 53 Cb 1.95 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 30.78 2d2w h HIS 53 CO 0.00 1.30 -0.13 -0.91 -1.30 0.00 0.00 177.93 176.90 2d2w h ASN 54 N 0.42 0.00 -0.12 3.26 2.35 0.24 -0.97 115.58 120.76 2d2w h ASN 54 Ca -0.09 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.47 2d2w h ASN 54 Cb 1.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.92 2d2w h ASN 54 CO 0.18 0.13 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.32 2d2w h LEU 55 N 0.00 0.82 -0.03 1.61 3.38 -1.09 -2.06 115.31 117.94 2d2w h LEU 55 Ca -0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2d2w h LEU 55 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2d2w h LEU 55 CO 0.02 1.34 -0.50 -1.20 0.09 0.00 0.00 178.44 178.18 2d2w n SER 56 N -4.04 0.55 -0.02 -0.43 7.64 -1.18 -4.05 113.62 112.08 2d2w n SER 56 Ca -0.08 -0.31 -0.22 0.00 1.01 0.00 0.00 58.87 59.27 2d2w n SER 56 Cb 0.71 0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 64.04 2d2w n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2d2w n LEU 57 N -1.45 2.43 -4.77 -3.43 7.99 -0.38 -4.90 117.00 112.49 2d2w n LEU 57 Ca 0.06 0.27 -0.37 0.00 -0.01 0.00 0.00 56.01 55.96 2d2w n LEU 57 Cb 0.34 -1.08 -0.02 0.00 -0.11 0.00 0.00 43.42 42.54 2d2w n LEU 57 CO 0.35 0.70 0.80 0.20 -1.51 0.00 0.00 177.39 177.93 2d2w s ASN 58 N -7.00 6.40 0.32 -1.43 0.02 -0.78 -4.93 114.94 107.54 2d2w s ASN 58 Ca -0.24 2.23 0.25 0.00 -1.02 0.00 0.00 52.86 54.08 2d2w s ASN 58 Cb 0.06 -2.60 0.62 0.00 0.02 0.00 0.00 41.25 39.36 2d2w s ASN 58 CO 0.72 -0.76 1.71 0.08 0.02 0.00 0.00 177.10 178.87 2d2w h ARG 59 N 2.27 0.00 -0.92 -0.60 0.11 -1.90 -3.20 114.38 110.15 2d2w h ARG 59 Ca -0.49 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.22 2d2w h ARG 59 Cb 1.24 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.10 2d2w h ARG 59 CO 0.61 0.00 0.47 2.48 0.10 0.00 0.00 179.97 183.63 2d2w n TYR 60 N -2.65 2.60 -3.90 4.08 4.11 -1.26 -4.87 117.16 115.27 2d2w n TYR 60 Ca 0.05 -1.49 -0.11 0.00 -0.00 0.00 0.00 57.90 56.34 2d2w n TYR 60 Cb 0.47 -0.80 -0.13 0.00 -0.00 0.00 0.00 39.34 38.88 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2d2w s PHE 61 N -2.91 0.06 0.31 -3.48 0.08 -1.21 -1.70 117.98 109.13 2d2w s PHE 61 Ca 0.51 -0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 2d2w s PHE 61 Cb 0.42 -0.05 0.02 0.00 -0.57 0.00 0.00 43.02 42.85 2d2w s PHE 61 CO 0.11 -0.06 0.65 0.96 -0.10 0.00 0.00 175.22 176.78 2d2w s ILE 62 N -0.39 0.00 0.72 0.64 -4.36 -0.58 -4.74 121.20 112.49 2d2w s ILE 62 Ca -0.04 -1.18 -0.05 0.00 -0.26 0.00 0.00 60.65 59.12 2d2w s ILE 62 Cb -0.03 -2.41 0.09 0.00 1.25 0.00 0.00 42.46 41.36 2d2w s ILE 62 CO -0.00 0.00 1.01 -0.54 0.24 0.00 0.00 174.94 175.65 2d2w s LYS 63 N -3.32 1.91 -0.02 0.37 1.02 -1.26 -1.05 119.74 117.38 2d2w s LYS 63 Ca 0.18 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 2d2w s LYS 63 Cb -0.04 -2.23 -0.17 0.00 -0.52 0.00 0.00 37.83 34.88 2d2w s LYS 63 CO 0.11 -1.36 1.11 0.28 -0.92 0.00 0.00 175.35 174.57 2d2w h VAL 64 N -0.60 0.90 -1.74 3.17 2.07 -1.83 -3.40 116.25 114.82 2d2w h VAL 64 Ca -0.42 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2d2w h VAL 64 Cb 1.29 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2d2w h VAL 64 CO 0.50 0.19 0.00 -0.81 0.02 0.00 0.00 177.57 177.48 2d2w n PRO 65 N -4.99 -0.08 -2.76 1.57 -0.04 -1.26 -5.03 135.00 122.41 2d2w n PRO 65 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2d2w n PRO 65 Cb 0.26 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.77 2d2w n PRO 65 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2d2w n ARG 66 N -0.97 1.89 -4.72 0.54 1.85 -1.26 -5.08 116.66 108.91 2d2w n ARG 66 Ca 0.00 -3.56 -0.28 0.00 -1.00 0.00 0.00 57.85 53.01 2d2w n ARG 66 Cb 0.00 -1.66 -0.14 0.00 -1.05 0.00 0.00 32.46 29.61 2d2w n ARG 66 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2d2w s SER 67 N -3.78 2.85 -0.80 2.89 0.15 -1.26 -5.03 113.70 108.71 2d2w s SER 67 Ca 0.29 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 2d2w s SER 67 Cb 0.33 -0.24 0.35 0.00 -1.71 0.00 0.00 66.02 64.75 2d2w s SER 67 CO -0.03 0.20 2.07 0.00 1.20 0.00 0.00 173.24 176.67 2d2w n GLN 68 N 1.71 2.72 -3.05 5.44 3.00 -1.26 -4.74 117.38 121.20 2d2w n GLN 68 Ca -0.17 -3.42 0.03 0.00 -0.01 0.00 0.00 57.00 53.42 2d2w n GLN 68 Cb 0.53 -2.26 -0.00 0.00 0.00 0.00 0.00 30.24 28.50 2d2w n GLN 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2d2w s GLU 69 N -3.92 0.44 -0.41 -1.09 -1.05 -1.26 -5.06 118.70 106.35 2d2w s GLU 69 Ca 0.54 0.02 0.09 0.00 -0.15 0.00 0.00 54.97 55.48 2d2w s GLU 69 Cb 0.45 0.09 0.32 0.00 -0.44 0.00 0.00 34.13 34.55 2d2w s GLU 69 CO -0.35 -0.69 0.82 -1.91 0.95 0.00 0.00 175.26 174.07 2d2w n GLU 70 N 4.50 0.93 -1.63 -4.83 2.13 -1.26 -5.02 120.64 115.45 2d2w n GLU 70 Ca 0.08 -2.84 -0.42 0.00 0.66 0.00 0.00 57.16 54.64 2d2w n GLU 70 Cb 0.59 -1.43 -0.01 0.00 0.27 0.00 0.00 31.44 30.85 2d2w n GLU 70 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2d2w n PRO 71 N 0.58 2.73 0.00 5.31 -0.04 -1.26 -4.77 135.00 137.55 2d2w n PRO 71 Ca 0.18 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 2d2w n PRO 71 Cb 0.65 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 2d2w n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d2w n GLY 72 N 4.12 5.21 1.92 0.55 0.00 -1.26 -5.05 105.19 110.67 2d2w n GLY 72 Ca 0.53 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2d2w n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d2w n LYS 73 N 0.00 3.36 -3.90 1.61 5.02 -1.26 -4.94 118.16 118.05 2d2w n LYS 73 Ca 0.00 -4.06 -0.30 0.00 -2.02 0.00 0.00 58.31 51.92 2d2w n LYS 73 Cb 0.00 -2.19 -0.15 0.00 -0.02 0.00 0.00 35.03 32.67 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2d2w s GLY 74 N -3.57 1.68 -0.74 0.72 0.00 -1.26 -5.03 107.32 99.12 2d2w s GLY 74 Ca 0.49 -2.33 0.04 0.00 0.00 0.00 0.00 44.72 42.92 2d2w s GLY 74 CO 0.03 1.21 0.59 -1.14 0.00 0.00 0.00 173.10 173.79 2d2w n SER 75 N 4.29 3.38 -3.92 1.64 3.41 -1.26 -5.03 113.62 116.12 2d2w n SER 75 Ca 0.03 -3.23 -0.28 0.00 -0.26 0.00 0.00 58.87 55.12 2d2w n SER 75 Cb 0.40 -0.81 -0.16 0.00 -0.26 0.00 0.00 64.21 63.38 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2d2w s PHE 76 N -1.58 1.82 0.32 7.33 2.19 -1.26 -2.15 117.98 124.64 2d2w s PHE 76 Ca 0.27 -1.12 0.07 0.00 0.33 0.00 0.00 56.93 56.48 2d2w s PHE 76 Cb -0.03 -1.38 -0.06 0.00 -1.31 0.00 0.00 43.02 40.24 2d2w s PHE 76 CO -0.14 -0.62 -0.04 1.67 1.83 0.00 0.00 175.22 177.92 2d2w s TRP 77 N 1.60 2.13 0.14 10.12 1.48 -0.88 -2.86 118.94 130.68 2d2w s TRP 77 Ca 0.01 -0.70 -0.01 0.00 -1.06 0.00 0.00 56.10 54.34 2d2w s TRP 77 Cb -0.15 -1.30 -0.04 0.00 -1.16 0.00 0.00 33.47 30.83 2d2w s TRP 77 CO -0.08 0.32 0.08 -0.98 -4.06 0.00 0.00 176.95 172.23 2d2w s ARG 78 N -3.73 0.98 0.54 3.25 1.70 -0.22 -0.78 118.95 120.70 2d2w s ARG 78 Ca 0.32 -1.45 -0.11 0.00 -0.47 0.00 0.00 55.73 54.01 2d2w s ARG 78 Cb 0.05 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2d2w s ARG 78 CO 0.14 -0.29 0.94 0.96 -1.08 0.00 0.00 175.30 175.97 2d2w s ILE 79 N -4.06 4.71 0.52 4.99 -4.36 -1.19 -1.52 121.20 120.28 2d2w s ILE 79 Ca 0.26 0.82 -0.23 0.00 -0.26 0.00 0.00 60.65 61.24 2d2w s ILE 79 Cb 0.07 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.91 2d2w s ILE 79 CO 0.03 -0.89 1.35 -0.67 0.24 0.00 0.00 174.94 175.00 2d2w n ASP 80 N -2.16 2.70 -0.03 4.36 2.03 -0.69 -4.73 116.55 118.04 2d2w n ASP 80 Ca 0.05 1.01 -0.15 0.00 0.52 0.00 0.00 54.79 56.21 2d2w n ASP 80 Cb 0.54 -1.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.25 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2d2w h PRO 81 N 1.59 0.13 -0.04 -0.67 0.13 -1.94 -2.23 132.00 128.98 2d2w h PRO 81 Ca -0.50 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2d2w h PRO 81 Cb 1.30 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2d2w h PRO 81 CO 0.58 0.96 0.00 0.00 -0.23 0.00 0.00 178.00 179.30 2d2w n ALA 82 N -2.56 2.53 0.00 -0.56 0.00 -1.26 -3.04 120.51 115.63 2d2w n ALA 82 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2d2w n ALA 82 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2d2w n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d2w n SER 83 N -0.46 0.15 -0.09 0.00 7.64 -1.23 -4.72 113.62 114.91 2d2w n SER 83 Ca 0.07 -0.43 -0.09 0.00 1.01 0.00 0.00 58.87 59.43 2d2w n SER 83 Cb 0.07 0.90 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 2d2w n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2d2w h GLU 84 N 0.00 0.39 0.00 1.43 4.11 -1.31 0.89 114.58 120.09 2d2w h GLU 84 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2d2w h GLU 84 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2d2w h GLU 84 CO 0.00 0.26 0.00 0.00 0.07 0.00 0.00 179.01 179.34 2d2w h ALA 85 N 1.12 1.00 0.00 1.06 0.00 -1.84 -1.75 119.26 118.84 2d2w h ALA 85 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2d2w h ALA 85 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2d2w h ALA 85 CO -0.04 0.00 -0.76 1.17 0.00 0.00 0.00 179.25 179.62 2d2w n LYS 86 N -2.71 0.49 0.03 0.00 0.00 -0.12 -3.97 118.16 111.87 2d2w n LYS 86 Ca -0.02 0.51 -0.12 0.00 0.00 0.00 0.00 58.31 58.69 2d2w n LYS 86 Cb 0.08 -1.69 -0.05 0.00 0.00 0.00 0.00 35.03 33.37 2d2w n LYS 86 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2d2w h LEU 87 N -1.00 -1.08 -1.87 3.14 -0.00 -0.77 -0.38 115.31 113.35 2d2w h LEU 87 Ca -0.10 0.15 0.36 0.00 -0.00 0.00 0.00 57.88 58.29 2d2w h LEU 87 Cb 0.75 0.44 -0.06 0.00 -0.00 0.00 0.00 40.66 41.79 2d2w h LEU 87 CO -0.06 -0.39 0.89 -0.37 -0.00 0.00 0.00 178.44 178.51 2d2w h VAL 88 N -0.46 0.36 -0.67 0.15 -1.51 -1.54 -0.06 116.25 112.53 2d2w h VAL 88 Ca 0.08 -0.02 0.11 0.00 -1.23 0.00 0.00 66.70 65.63 2d2w h VAL 88 Cb 0.58 0.30 -0.08 0.00 -2.13 0.00 0.00 31.29 29.96 2d2w h VAL 88 CO -0.33 0.01 0.26 -0.33 -1.23 0.00 0.00 177.57 175.95 2d2w h GLU 89 N 0.06 0.42 0.00 5.19 4.39 -1.19 0.35 114.58 123.81 2d2w h GLU 89 Ca 0.62 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.30 2d2w h GLU 89 Cb 2.34 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 2d2w h GLU 89 CO -0.07 0.28 -0.16 1.96 -1.16 0.00 0.00 179.01 179.86 2d2w h GLN 90 N 0.44 0.00 -0.81 2.33 1.08 -1.13 -3.27 115.11 113.75 2d2w h GLN 90 Ca 0.35 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 2d2w h GLN 90 Cb 0.46 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 2d2w h GLN 90 CO -0.34 0.00 0.42 0.00 -0.95 0.00 0.00 178.83 177.96 2d2w h ALA 91 N 2.05 1.04 -0.09 3.87 0.00 0.17 -2.79 119.26 123.51 2d2w h ALA 91 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2d2w h ALA 91 Cb 0.97 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2d2w h ALA 91 CO 0.00 0.58 -0.81 0.74 0.00 0.00 0.00 179.25 179.76 2d2w h PHE 92 N 1.14 0.85 -3.74 0.00 0.04 -1.35 -3.44 116.94 110.42 2d2w h PHE 92 Ca 0.28 -0.39 -0.51 0.00 2.80 0.00 0.00 57.97 60.15 2d2w h PHE 92 Cb 0.08 -0.12 -0.32 0.00 2.20 0.00 0.00 35.95 37.79 2d2w h PHE 92 CO 0.01 1.20 -0.82 0.50 -0.60 0.00 0.00 178.31 178.60 2d2w s ARG 93 N -3.60 1.53 0.23 1.51 6.06 -1.05 -4.99 118.95 118.63 2d2w s ARG 93 Ca -0.08 -0.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.68 2d2w s ARG 93 Cb 0.09 -1.33 0.00 0.00 0.06 0.00 0.00 34.95 33.77 2d2w s ARG 93 CO 0.88 0.15 0.00 1.17 -2.50 0.00 0.00 175.30 175.00 2d2w n LYS 94 N 3.37 0.00 -1.80 5.12 0.00 -1.25 -4.41 118.16 119.18 2d2w n LYS 94 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.71 2d2w n LYS 94 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.56 2d2w n LYS 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2d2w s ARG 95 N -1.47 4.11 0.00 1.64 1.81 -1.26 -5.01 118.95 118.77 2d2w s ARG 95 Ca 0.00 2.57 0.00 0.00 -1.72 0.00 0.00 55.73 56.58 2d2w s ARG 95 Cb 0.00 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 2d2w s ARG 95 CO 0.00 -0.54 0.00 0.54 -0.68 0.00 0.00 175.30 174.62 2d2w n ARG 96 N 0.49 3.44 -0.84 3.54 1.74 -1.26 -5.16 116.66 118.61 2d2w n ARG 96 Ca 0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2d2w n ARG 96 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 2d2w n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d2w n GLN 97 N -0.03 0.83 -2.56 5.56 10.64 -1.26 -5.05 117.38 125.51 2d2w n GLN 97 Ca 0.00 -0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 2d2w n GLN 97 Cb 0.00 -0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 2d2w n GLN 97 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2d2w n ARG 98 N -1.00 2.22 -1.52 2.61 0.63 -1.26 -5.07 116.66 113.26 2d2w n ARG 98 Ca 0.00 -3.78 0.00 0.00 -0.92 0.00 0.00 57.85 53.15 2d2w n ARG 98 Cb 0.00 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2d2w n GLY 99 N -0.35 3.79 3.01 5.14 0.00 -1.26 -5.17 105.19 110.34 2d2w n GLY 99 Ca 0.22 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2d2w n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d2w s VAL 100 N -2.08 0.02 0.00 1.61 -7.23 -1.26 -5.26 120.40 106.20 2d2w s VAL 100 Ca 0.00 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2d2w s VAL 100 Cb 0.00 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.73 2d2w s VAL 100 CO 0.00 -0.07 0.00 -1.54 -0.31 0.00 0.00 175.10 173.18