#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 5.79 -3.13 1.62 3.41 -1.26 -4.82 113.62 115.24 2d2w n SER 2 Ca 0.00 -3.76 -0.17 0.00 -0.26 0.00 0.00 58.87 54.68 2d2w n SER 2 Cb 0.00 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 2d2w n SER 2 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2d2w s LYS 3 N -3.73 0.96 -0.29 4.33 2.20 -1.26 -5.00 119.74 116.95 2d2w s LYS 3 Ca 0.50 -1.59 0.06 0.00 -0.36 0.00 0.00 55.97 54.58 2d2w s LYS 3 Cb 0.42 -0.80 0.57 0.00 -1.51 0.00 0.00 37.83 36.51 2d2w s LYS 3 CO -0.23 -1.35 1.62 -0.35 -0.36 0.00 0.00 175.35 174.68 2d2w n PRO 4 N 2.97 2.75 -1.01 4.03 -0.04 -1.26 -5.00 135.00 137.44 2d2w n PRO 4 Ca 0.24 -2.38 -0.19 0.00 -0.04 0.00 0.00 63.50 61.12 2d2w n PRO 4 Cb 0.51 -1.98 0.15 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.30 -1.50 -2.13 0.54 -0.04 -1.26 -4.76 135.00 125.55 2d2w n PRO 5 Ca 0.37 -1.26 -0.32 0.00 -0.04 0.00 0.00 63.50 62.25 2d2w n PRO 5 Cb 1.26 -0.97 -0.01 0.00 -0.04 0.00 0.00 33.50 33.74 2d2w n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2d2w s TYR 6 N -2.66 3.49 1.07 0.54 2.02 -1.26 -4.95 117.35 115.60 2d2w s TYR 6 Ca 0.48 1.40 -0.19 0.00 -0.37 0.00 0.00 57.07 58.39 2d2w s TYR 6 Cb -0.03 -2.78 0.06 0.00 -0.40 0.00 0.00 41.96 38.82 2d2w s TYR 6 CO 0.35 -0.58 -0.23 0.43 -1.57 0.00 0.00 175.55 173.95 2d2w n SER 7 N -2.15 -2.63 -0.61 2.29 7.64 -1.26 -4.40 113.62 112.50 2d2w n SER 7 Ca 0.06 -0.17 0.05 0.00 1.01 0.00 0.00 58.87 59.83 2d2w n SER 7 Cb 0.54 -0.82 0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2d2w n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2d2w n TYR 8 N -4.25 0.45 -0.03 1.43 4.01 -1.26 -0.86 117.16 116.65 2d2w n TYR 8 Ca 0.01 -0.21 -0.03 0.00 -0.16 0.00 0.00 57.90 57.51 2d2w n TYR 8 Cb 0.58 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 2d2w n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d2w n ALA 9 N 0.38 1.87 -0.01 -0.72 0.00 -1.26 -4.25 120.51 116.51 2d2w n ALA 9 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 2d2w n ALA 9 Cb 0.29 0.21 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 2d2w n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d2w n GLN 10 N -2.36 0.63 -0.09 0.00 7.27 -1.23 -3.24 117.38 118.36 2d2w n GLN 10 Ca -0.10 0.26 -0.03 0.00 0.07 0.00 0.00 57.00 57.20 2d2w n GLN 10 Cb 0.66 -1.78 0.20 0.00 2.41 0.00 0.00 30.24 31.73 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2d2w h LEU 11 N 0.00 0.71 0.05 1.69 5.85 -1.21 -2.36 115.31 120.04 2d2w h LEU 11 Ca -0.27 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2d2w h LEU 11 Cb 1.92 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2d2w h LEU 11 CO 0.07 0.74 -0.02 0.40 -0.34 0.00 0.00 178.44 179.28 2d2w h ILE 12 N 0.71 1.22 -0.94 4.05 1.08 -1.74 -2.24 117.51 119.65 2d2w h ILE 12 Ca 0.15 -0.91 0.24 0.00 -0.39 0.00 0.00 64.86 63.95 2d2w h ILE 12 Cb 0.35 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 2d2w h ILE 12 CO 0.01 0.23 0.64 0.58 -0.69 0.00 0.00 178.15 178.92 2d2w h VAL 13 N -0.47 0.59 0.00 1.67 2.07 -1.47 0.76 116.25 119.41 2d2w h VAL 13 Ca -0.01 -0.09 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 2d2w h VAL 13 Cb 0.42 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2d2w h VAL 13 CO 0.01 0.05 -0.91 -0.61 0.02 0.00 0.00 177.57 176.12 2d2w h GLN 14 N 0.26 0.29 0.26 1.57 4.15 -1.25 0.17 115.11 120.56 2d2w h GLN 14 Ca 0.49 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2d2w h GLN 14 Cb 1.47 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.25 2d2w h GLN 14 CO -0.14 1.03 -0.13 0.00 -1.93 0.00 0.00 178.83 177.66 2d2w h ALA 15 N 0.86 -0.35 0.05 3.38 0.00 0.11 -0.56 119.26 122.75 2d2w h ALA 15 Ca -0.06 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 2d2w h ALA 15 Cb 1.55 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2d2w h ALA 15 CO 0.15 -0.64 -1.42 -0.84 0.00 0.00 0.00 179.25 176.50 2d2w h ILE 16 N -0.46 1.24 0.00 0.00 -0.00 -1.35 0.53 117.51 117.48 2d2w h ILE 16 Ca -0.04 -2.96 0.00 0.00 -0.00 0.00 0.00 64.86 61.86 2d2w h ILE 16 Cb 0.34 2.70 0.00 0.00 -0.00 0.00 0.00 36.82 39.86 2d2w h ILE 16 CO 0.06 0.78 0.00 0.28 -0.00 0.00 0.00 178.15 179.27 2d2w h SER 17 N 0.03 0.00 -0.01 2.16 0.02 -0.99 -0.94 113.55 113.81 2d2w h SER 17 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2d2w h SER 17 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2d2w h SER 17 CO 0.13 0.00 -0.24 -1.20 -1.14 0.00 0.00 176.83 174.38 2d2w n SER 18 N -2.97 1.39 -4.80 3.07 7.64 -0.22 -4.96 113.62 112.77 2d2w n SER 18 Ca -0.01 -1.19 -0.39 0.00 1.01 0.00 0.00 58.87 58.29 2d2w n SER 18 Cb 0.20 0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.53 3.56 0.21 -0.43 0.00 0.17 -4.95 121.76 118.79 2d2w s ALA 19 Ca 0.10 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 2d2w s ALA 19 Cb 0.10 -2.67 0.19 0.00 0.00 0.00 0.00 23.12 20.74 2d2w s ALA 19 CO 0.30 0.33 1.57 1.96 0.00 0.00 0.00 175.76 179.92 2d2w h GLN 20 N 4.86 -0.08 -5.42 0.00 1.08 -1.89 -3.30 115.11 110.35 2d2w h GLN 20 Ca -0.48 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.11 2d2w h GLN 20 Cb 1.21 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.54 2d2w h GLN 20 CO 0.65 -0.06 0.01 -0.51 -0.95 0.00 0.00 178.83 177.98 2d2w s ASP 21 N -5.25 6.49 0.00 1.46 1.01 -1.26 -4.91 116.67 114.21 2d2w s ASP 21 Ca -0.14 0.59 0.00 0.00 0.71 0.00 0.00 52.55 53.71 2d2w s ASP 21 Cb 0.18 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.82 2d2w s ASP 21 CO 0.71 -0.28 0.70 0.54 0.21 0.00 0.00 175.17 177.05 2d2w n ARG 22 N 5.39 0.00 -3.65 8.23 1.74 -1.24 -4.14 116.66 122.99 2d2w n ARG 22 Ca -0.04 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 2d2w n ARG 22 Cb 0.50 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2d2w s GLN 23 N -2.40 2.35 0.31 5.56 -2.07 -1.26 -3.13 119.66 119.03 2d2w s GLN 23 Ca 0.00 -1.70 -0.04 0.00 -1.82 0.00 0.00 55.36 51.80 2d2w s GLN 23 Cb 0.00 -3.76 -0.05 0.00 -1.09 0.00 0.00 33.01 28.11 2d2w s GLN 23 CO 0.00 -1.09 0.57 -0.51 -1.32 0.00 0.00 175.29 172.94 2d2w s LEU 24 N 1.30 4.02 0.00 2.60 1.43 0.66 -4.68 118.68 124.01 2d2w s LEU 24 Ca 0.06 0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 53.74 2d2w s LEU 24 Cb -0.24 -3.51 0.18 0.00 0.03 0.00 0.00 46.19 42.64 2d2w s LEU 24 CO -0.01 -0.24 1.10 0.35 0.23 0.00 0.00 176.35 177.78 2d2w n THR 25 N -1.21 0.00 -0.31 5.49 -2.24 -1.26 0.46 114.28 115.21 2d2w n THR 25 Ca -0.02 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 2d2w n THR 25 Cb 0.54 -1.29 0.18 0.00 -2.10 0.00 0.00 70.33 67.67 2d2w n THR 25 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2d2w h LEU 26 N 0.00 1.01 -3.97 3.22 6.46 -1.95 -1.17 115.31 118.91 2d2w h LEU 26 Ca -0.36 -0.02 -0.55 0.00 -0.12 0.00 0.00 57.88 56.84 2d2w h LEU 26 Cb 1.11 -0.24 -0.30 0.00 -0.73 0.00 0.00 40.66 40.50 2d2w h LEU 26 CO 0.30 0.71 0.70 -1.20 -0.62 0.00 0.00 178.44 178.33 2d2w n SER 27 N -4.42 4.62 -0.11 1.25 7.64 -1.26 -4.22 113.62 117.12 2d2w n SER 27 Ca 0.11 -3.62 -0.13 0.00 1.01 0.00 0.00 58.87 56.24 2d2w n SER 27 Cb 0.06 -0.87 -0.14 0.00 -1.01 0.00 0.00 64.21 62.25 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 -1.06 -0.77 0.21 0.23 0.00 -0.44 -3.93 105.19 99.43 2d2w n GLY 28 Ca 0.60 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.32 0.09 -0.61 2.10 -1.73 -2.19 117.51 116.48 2d2w h ILE 29 Ca -0.55 -1.73 -0.00 0.00 1.08 0.00 0.00 64.86 63.66 2d2w h ILE 29 Cb 2.12 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 39.56 2d2w h ILE 29 CO -0.01 0.53 -0.04 1.88 -1.08 0.00 0.00 178.15 179.43 2d2w h TYR 30 N 0.40 -0.11 0.00 2.19 0.05 -1.80 -1.33 116.97 116.36 2d2w h TYR 30 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2d2w h TYR 30 Cb 1.02 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2d2w h TYR 30 CO 0.04 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 177.38 2d2w h ALA 31 N 0.39 1.00 -0.15 3.88 0.00 -1.67 -1.25 119.26 121.46 2d2w h ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d2w h ALA 31 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d2w h ALA 31 CO 0.02 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.85 2d2w n HIS 32 N -2.86 0.00 -0.06 0.00 -0.00 -0.65 -3.05 115.22 108.59 2d2w n HIS 32 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.78 2d2w n HIS 32 Cb 0.09 -0.47 0.46 0.00 -0.00 0.00 0.00 29.99 30.06 2d2w n HIS 32 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2d2w h ILE 33 N 0.00 0.99 0.00 3.57 -0.00 -1.27 0.00 117.51 120.81 2d2w h ILE 33 Ca 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 64.86 64.65 2d2w h ILE 33 Cb 0.00 0.45 -0.01 0.00 -0.00 0.00 0.00 36.82 37.26 2d2w h ILE 33 CO 0.00 0.09 -0.17 0.71 -0.00 0.00 0.00 178.15 178.78 2d2w h THR 34 N 0.50 0.81 0.00 0.16 1.35 -1.38 0.66 112.91 115.02 2d2w h THR 34 Ca 0.23 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2d2w h THR 34 Cb 0.26 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2d2w h THR 34 CO -0.06 0.17 -0.02 0.50 -0.25 0.00 0.00 175.52 175.86 2d2w h LYS 35 N 0.00 0.00 -0.13 4.72 1.63 -0.92 -3.40 116.57 118.47 2d2w h LYS 35 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2d2w h LYS 35 Cb 0.39 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2d2w h LYS 35 CO 0.02 0.00 -0.18 0.45 -3.45 0.00 0.00 179.45 176.29 2d2w h HIS 36 N -0.59 0.43 -3.15 1.91 3.86 -1.51 -3.41 115.15 112.69 2d2w h HIS 36 Ca 0.00 -0.14 -0.57 0.00 -1.16 0.00 0.00 60.37 58.49 2d2w h HIS 36 Cb 0.02 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 2d2w h HIS 36 CO -0.01 0.79 0.85 0.71 0.86 0.00 0.00 177.93 181.13 2d2w s TYR 37 N -4.14 3.14 0.13 2.45 1.51 0.23 -4.90 117.35 115.77 2d2w s TYR 37 Ca -0.14 1.25 -0.03 0.00 -1.01 0.00 0.00 57.07 57.14 2d2w s TYR 37 Cb 0.05 -3.52 -0.11 0.00 -0.11 0.00 0.00 41.96 38.27 2d2w s TYR 37 CO 0.76 -0.86 1.29 -1.00 -1.11 0.00 0.00 175.55 174.63 2d2w h PRO 38 N 7.96 0.35 0.90 -1.71 0.13 -1.81 -3.34 132.00 134.48 2d2w h PRO 38 Ca -0.21 -0.41 -0.04 0.00 -0.87 0.00 0.00 66.00 64.47 2d2w h PRO 38 Cb 1.07 0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2d2w h PRO 38 CO 1.00 1.10 -0.46 -0.92 -0.23 0.00 0.00 178.00 178.49 2d2w h TYR 39 N 0.19 -1.19 -1.54 1.56 3.20 -1.90 -3.37 116.97 113.91 2d2w h TYR 39 Ca -0.08 -0.02 -0.43 0.00 3.14 0.00 0.00 58.73 61.33 2d2w h TYR 39 Cb 1.62 0.40 0.01 0.00 1.54 0.00 0.00 36.73 40.30 2d2w h TYR 39 CO 0.06 -0.72 1.53 0.71 -1.64 0.00 0.00 178.16 178.10 2d2w s TYR 40 N -5.99 1.08 0.02 -3.82 2.02 -1.25 -4.44 117.35 104.97 2d2w s TYR 40 Ca -0.19 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2d2w s TYR 40 Cb 0.03 -3.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 2d2w s TYR 40 CO 0.61 -2.47 0.00 -2.13 -1.57 0.00 0.00 175.55 169.99 2d2w n ARG 41 N 9.00 0.00 -2.35 -0.62 0.63 -1.26 -4.16 116.66 117.91 2d2w n ARG 41 Ca 0.37 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.29 2d2w n ARG 41 Cb 0.54 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.55 2d2w n ARG 41 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2d2w n THR 42 N -2.57 0.00 0.00 5.15 -1.04 -1.26 -5.07 114.28 109.49 2d2w n THR 42 Ca 0.00 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 2d2w n THR 42 Cb 0.00 0.86 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d2w n ALA 43 N -1.12 0.00 -2.63 2.41 0.00 -1.26 -5.00 120.51 112.91 2d2w n ALA 43 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2d2w n ALA 43 Cb 0.77 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.04 1.94 -0.38 0.00 1.11 -1.26 -5.03 116.67 112.00 2d2w s ASP 44 Ca 0.00 -0.57 -0.02 0.00 0.18 0.00 0.00 52.55 52.14 2d2w s ASP 44 Cb 0.00 -0.10 0.16 0.00 1.07 0.00 0.00 42.92 44.05 2d2w s ASP 44 CO 0.00 0.01 2.33 0.29 1.18 0.00 0.00 175.17 178.98 2d2w n LYS 45 N 1.50 2.07 -0.06 8.23 4.76 -1.26 -4.48 118.16 128.93 2d2w n LYS 45 Ca -0.19 -1.93 -0.04 0.00 -2.87 0.00 0.00 58.31 53.27 2d2w n LYS 45 Cb 0.54 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2d2w n LYS 45 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2d2w h GLY 46 N 3.07 0.00 1.81 0.72 0.00 -2.03 -3.30 103.07 103.34 2d2w h GLY 46 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2d2w h GLY 46 CO 0.84 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.71 2d2w n TRP 47 N -4.71 0.00 0.03 5.60 4.27 -1.26 -3.48 117.44 117.89 2d2w n TRP 47 Ca -0.04 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.54 2d2w n TRP 47 Cb 0.15 -0.41 -0.02 0.00 -1.36 0.00 0.00 31.31 29.67 2d2w n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2d2w h GLN 48 N 0.00 -0.15 0.00 -2.67 5.75 -1.86 -1.43 115.11 114.75 2d2w h GLN 48 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2d2w h GLN 48 Cb 0.09 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2d2w h GLN 48 CO 0.00 -0.10 0.00 0.27 -2.65 0.00 0.00 178.83 176.35 2d2w n ASN 49 N -2.93 0.31 -0.04 -0.69 0.23 -1.23 -3.04 115.26 107.86 2d2w n ASN 49 Ca -0.02 0.57 -0.12 0.00 -0.53 0.00 0.00 54.58 54.48 2d2w n ASN 49 Cb 0.08 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 37.08 2d2w n ASN 49 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2d2w h SER 50 N 0.00 0.25 -0.03 0.53 0.87 -1.35 -2.58 113.55 111.23 2d2w h SER 50 Ca 0.00 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 2d2w h SER 50 Cb 0.36 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 2d2w h SER 50 CO 0.00 0.55 -0.28 0.40 -0.53 0.00 0.00 176.83 176.97 2d2w h ILE 51 N -0.05 0.37 -0.34 2.23 5.03 -1.21 0.11 117.51 123.65 2d2w h ILE 51 Ca 0.03 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.84 2d2w h ILE 51 Cb 0.43 0.37 -0.06 0.00 -3.03 0.00 0.00 36.82 34.53 2d2w h ILE 51 CO 0.01 0.00 -0.05 -0.09 -0.68 0.00 0.00 178.15 177.34 2d2w h ARG 52 N -0.41 0.04 0.00 2.37 1.12 -1.68 0.16 114.38 115.99 2d2w h ARG 52 Ca 0.07 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2d2w h ARG 52 Cb 0.51 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2d2w h ARG 52 CO -0.26 0.02 -0.15 1.25 -3.11 0.00 0.00 179.97 177.73 2d2w h HIS 53 N 0.04 0.00 -0.20 2.20 2.76 -1.02 -2.69 115.15 116.23 2d2w h HIS 53 Ca 0.16 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.15 2d2w h HIS 53 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2d2w h HIS 53 CO -0.28 0.15 -0.62 -0.91 -1.30 0.00 0.00 177.93 174.96 2d2w h ASN 54 N 0.00 0.80 0.30 3.26 2.35 0.12 -2.81 115.58 119.60 2d2w h ASN 54 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2d2w h ASN 54 Cb 0.40 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2d2w h ASN 54 CO 0.02 1.23 0.00 0.18 -1.65 0.00 0.00 177.43 177.21 2d2w n LEU 55 N -3.95 0.00 -0.10 1.61 4.77 -0.75 -0.02 117.00 118.56 2d2w n LEU 55 Ca -0.05 0.35 -0.19 0.00 -0.03 0.00 0.00 56.01 56.09 2d2w n LEU 55 Cb 0.66 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2d2w n LEU 55 CO 0.50 -0.20 -0.53 -1.54 -1.33 0.00 0.00 177.39 174.29 2d2w n SER 56 N -1.35 1.85 -0.43 -1.43 3.41 -1.07 -4.26 113.62 110.35 2d2w n SER 56 Ca 0.05 0.46 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 2d2w n SER 56 Cb 0.12 -0.94 0.45 0.00 -0.26 0.00 0.00 64.21 63.57 2d2w n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d2w n LEU 57 N -4.46 1.43 -4.70 1.04 -0.00 -1.16 -4.93 117.00 104.21 2d2w n LEU 57 Ca -0.29 -0.45 -0.31 0.00 -0.00 0.00 0.00 56.01 54.96 2d2w n LEU 57 Cb 0.62 -0.04 0.14 0.00 -0.00 0.00 0.00 43.42 44.14 2d2w n LEU 57 CO 0.17 0.25 0.69 0.20 -0.00 0.00 0.00 177.39 178.70 2d2w s ASN 58 N -2.17 3.43 0.00 1.45 0.02 0.97 -4.91 114.94 113.73 2d2w s ASN 58 Ca 0.33 2.11 0.27 0.00 -1.02 0.00 0.00 52.86 54.55 2d2w s ASN 58 Cb 0.20 -2.56 0.83 0.00 0.02 0.00 0.00 41.25 39.74 2d2w s ASN 58 CO 0.40 -2.77 1.61 0.54 0.02 0.00 0.00 177.10 176.90 2d2w n ARG 59 N -3.93 1.40 -2.69 -0.60 1.74 -1.26 -4.43 116.66 106.89 2d2w n ARG 59 Ca 0.11 -0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 56.24 2d2w n ARG 59 Cb 0.52 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.56 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2d2w n TYR 60 N -0.04 -0.92 -3.45 -1.55 0.18 -1.26 -4.96 117.16 105.16 2d2w n TYR 60 Ca 0.16 -2.31 -0.19 0.00 1.88 0.00 0.00 57.90 57.44 2d2w n TYR 60 Cb 0.38 0.75 -0.12 0.00 -0.38 0.00 0.00 39.34 39.97 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2d2w s PHE 61 N -1.23 -0.29 0.43 -3.48 0.08 -1.26 -2.46 117.98 109.76 2d2w s PHE 61 Ca 0.24 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.24 2d2w s PHE 61 Cb 0.42 -0.48 0.05 0.00 -0.57 0.00 0.00 43.02 42.45 2d2w s PHE 61 CO -0.03 -0.79 0.44 0.44 -0.10 0.00 0.00 175.22 175.18 2d2w n ILE 62 N 5.31 0.00 -4.21 0.64 -5.35 0.66 -4.65 119.36 111.76 2d2w n ILE 62 Ca -0.04 -1.57 -0.18 0.00 -0.27 0.00 0.00 62.75 60.69 2d2w n ILE 62 Cb 0.47 -0.35 -0.11 0.00 -1.74 0.00 0.00 39.64 37.90 2d2w n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d2w s LYS 63 N -3.83 0.92 0.38 6.28 3.01 -1.26 -1.70 119.74 123.54 2d2w s LYS 63 Ca 0.33 -1.11 -0.07 0.00 -1.01 0.00 0.00 55.97 54.11 2d2w s LYS 63 Cb -0.03 -0.84 -0.05 0.00 -1.01 0.00 0.00 37.83 35.90 2d2w s LYS 63 CO 0.21 0.17 0.69 0.14 0.51 0.00 0.00 175.35 177.08 2d2w s VAL 64 N -1.80 4.90 0.90 3.17 -7.23 -1.04 -4.98 120.40 114.32 2d2w s VAL 64 Ca 0.04 0.29 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 2d2w s VAL 64 Cb -0.07 -3.77 0.14 0.00 0.56 0.00 0.00 36.38 33.24 2d2w s VAL 64 CO 0.02 -0.54 1.19 -2.16 -0.31 0.00 0.00 175.10 173.30 2d2w s PRO 65 N -3.99 1.23 -0.25 4.82 0.04 -1.26 -4.52 135.00 131.08 2d2w s PRO 65 Ca 0.47 0.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.30 2d2w s PRO 65 Cb -0.10 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2d2w s PRO 65 CO 0.34 -2.09 2.03 0.50 0.04 0.00 0.00 177.00 177.82 2d2w s ARG 66 N -5.52 3.28 -0.38 4.56 3.52 -1.26 -4.88 118.95 118.26 2d2w s ARG 66 Ca 0.65 1.82 0.07 0.00 -0.13 0.00 0.00 55.73 58.15 2d2w s ARG 66 Cb -0.11 -4.29 0.18 0.00 -1.56 0.00 0.00 34.95 29.18 2d2w s ARG 66 CO 0.52 -1.93 0.61 0.45 -0.81 0.00 0.00 175.30 174.13 2d2w s SER 67 N 7.16 -1.41 0.36 -2.12 0.15 -1.26 -5.16 113.70 111.42 2d2w s SER 67 Ca 0.91 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 56.98 2d2w s SER 67 Cb -0.29 1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 65.88 2d2w s SER 67 CO 0.35 -0.20 0.07 0.00 1.20 0.00 0.00 173.24 174.66 2d2w s GLN 68 N 2.03 1.76 0.00 5.44 1.03 -1.26 -5.03 119.66 123.63 2d2w s GLN 68 Ca 0.15 -2.01 0.00 0.00 0.04 0.00 0.00 55.36 53.53 2d2w s GLN 68 Cb -0.06 -0.83 0.00 0.00 0.03 0.00 0.00 33.01 32.15 2d2w s GLN 68 CO -0.11 -0.28 0.00 0.39 -2.54 0.00 0.00 175.29 172.75 2d2w n GLU 69 N -0.78 0.00 -0.03 9.60 1.02 -1.26 -4.99 120.64 124.20 2d2w n GLU 69 Ca -0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2d2w n GLU 69 Cb 0.66 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.98 2d2w n GLU 69 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2d2w h GLU 70 N 0.00 -0.03 -7.08 3.49 4.22 -2.01 -3.45 114.58 109.71 2d2w h GLU 70 Ca 0.00 0.00 -0.45 0.00 0.08 0.00 0.00 59.36 58.99 2d2w h GLU 70 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2d2w h GLU 70 CO 0.00 0.65 0.36 -1.25 -2.18 0.00 0.00 179.01 176.58 2d2w s PRO 71 N -3.24 4.06 -0.51 0.92 0.04 -1.26 -4.96 135.00 130.04 2d2w s PRO 71 Ca -0.16 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2d2w s PRO 71 Cb -0.00 -2.15 0.45 0.00 0.04 0.00 0.00 34.50 32.84 2d2w s PRO 71 CO 0.64 -0.19 1.95 0.41 0.04 0.00 0.00 177.00 179.85 2d2w n GLY 72 N -0.64 4.96 3.18 0.56 0.00 -1.26 -4.92 105.19 107.07 2d2w n GLY 72 Ca 0.08 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.69 -0.32 0.00 1.61 5.02 -1.26 -5.07 118.16 117.46 2d2w n LYS 73 Ca 0.53 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 2d2w n LYS 73 Cb 0.94 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2d2w n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d2w n GLY 74 N -1.55 -0.08 3.86 0.72 0.00 -1.26 -4.85 105.19 102.03 2d2w n GLY 74 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2d2w n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d2w s SER 75 N -4.45 4.90 -0.19 1.61 0.01 -1.26 -4.46 113.70 109.86 2d2w s SER 75 Ca 0.00 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.33 2d2w s SER 75 Cb 0.00 -0.42 0.08 0.00 0.21 0.00 0.00 66.02 65.89 2d2w s SER 75 CO 0.00 -0.71 0.41 0.12 0.41 0.00 0.00 173.24 173.47 2d2w s PHE 76 N -2.53 -0.75 0.18 2.43 2.19 -1.26 -4.88 117.98 113.36 2d2w s PHE 76 Ca 0.46 1.46 -0.30 0.00 0.33 0.00 0.00 56.93 58.87 2d2w s PHE 76 Cb -0.02 0.28 -0.07 0.00 -1.31 0.00 0.00 43.02 41.89 2d2w s PHE 76 CO 0.27 -0.45 0.98 -1.58 1.83 0.00 0.00 175.22 176.26 2d2w s TRP 77 N 2.42 3.85 0.09 10.12 0.52 0.17 -2.49 118.94 133.62 2d2w s TRP 77 Ca -0.03 1.82 -0.08 0.00 0.02 0.00 0.00 56.10 57.84 2d2w s TRP 77 Cb -0.11 -3.06 -0.01 0.00 -1.15 0.00 0.00 33.47 29.14 2d2w s TRP 77 CO -0.12 0.18 0.17 1.03 0.02 0.00 0.00 176.95 178.23 2d2w s ARG 78 N -0.58 0.86 0.09 4.98 3.00 -0.69 0.24 118.95 126.85 2d2w s ARG 78 Ca 0.45 -1.03 0.02 0.00 0.00 0.00 0.00 55.73 55.17 2d2w s ARG 78 Cb -0.25 0.33 -0.04 0.00 0.00 0.00 0.00 34.95 34.99 2d2w s ARG 78 CO 0.32 -0.27 0.16 -1.50 0.00 0.00 0.00 175.30 174.01 2d2w s ILE 79 N -3.89 4.91 0.50 1.52 2.07 -1.18 -0.24 121.20 124.88 2d2w s ILE 79 Ca 0.07 -0.68 -0.23 0.00 -1.41 0.00 0.00 60.65 58.40 2d2w s ILE 79 Cb 0.05 -3.42 -0.07 0.00 0.13 0.00 0.00 42.46 39.15 2d2w s ILE 79 CO -0.09 0.07 1.25 0.47 -1.91 0.00 0.00 174.94 174.73 2d2w n ASP 80 N 0.15 2.29 -0.06 4.50 8.00 -1.03 -4.83 116.55 125.58 2d2w n ASP 80 Ca -0.07 1.01 -0.12 0.00 0.71 0.00 0.00 54.79 56.31 2d2w n ASP 80 Cb 0.52 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 40.00 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2d2w h PRO 81 N 1.58 -0.00 0.00 -0.24 0.13 -1.97 -2.14 132.00 129.36 2d2w h PRO 81 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2d2w h PRO 81 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2d2w h PRO 81 CO 0.57 0.86 0.00 0.00 -0.23 0.00 0.00 178.00 179.20 2d2w n ALA 82 N -2.61 2.25 0.02 -0.56 0.00 -1.26 -2.40 120.51 115.95 2d2w n ALA 82 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2d2w n ALA 82 Cb 0.42 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.94 1.51 0.21 0.00 7.64 -1.24 -4.65 113.62 116.15 2d2w n SER 83 Ca 0.14 -0.36 0.12 0.00 1.01 0.00 0.00 58.87 59.78 2d2w n SER 83 Cb 0.06 1.01 0.71 0.00 -1.01 0.00 0.00 64.21 64.98 2d2w n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2d2w h GLU 84 N 0.00 0.00 0.00 1.43 4.81 -1.01 -0.44 114.58 119.36 2d2w h GLU 84 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2d2w h GLU 84 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2d2w h GLU 84 CO 0.00 0.00 -0.38 0.00 -0.73 0.00 0.00 179.01 177.90 2d2w h ALA 85 N 1.92 0.89 0.12 2.92 0.00 -1.83 -2.37 119.26 120.91 2d2w h ALA 85 Ca 0.06 -0.34 -0.36 0.00 0.00 0.00 0.00 54.91 54.27 2d2w h ALA 85 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2d2w h ALA 85 CO -0.00 0.47 -1.98 0.36 0.00 0.00 0.00 179.25 178.10 2d2w n LYS 86 N -3.38 0.76 0.14 0.00 2.85 -0.31 -4.04 118.16 114.17 2d2w n LYS 86 Ca 0.01 0.26 -0.13 0.00 -1.05 0.00 0.00 58.31 57.40 2d2w n LYS 86 Cb 0.57 -1.72 -0.08 0.00 -0.65 0.00 0.00 35.03 33.15 2d2w n LYS 86 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 2d2w h LEU 87 N 0.07 -0.31 -1.84 -5.58 -0.00 -1.25 -2.77 115.31 103.63 2d2w h LEU 87 Ca -0.42 -0.19 0.51 0.00 -0.00 0.00 0.00 57.88 57.78 2d2w h LEU 87 Cb 2.04 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 42.69 2d2w h LEU 87 CO 0.09 0.05 1.19 -0.37 -0.00 0.00 0.00 178.44 179.40 2d2w h VAL 88 N -0.72 0.09 0.05 0.15 -1.51 -1.62 0.34 116.25 113.03 2d2w h VAL 88 Ca -0.04 -0.01 0.03 0.00 -1.23 0.00 0.00 66.70 65.45 2d2w h VAL 88 Cb 0.49 0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 29.68 2d2w h VAL 88 CO 0.06 0.00 -0.25 -0.08 -1.23 0.00 0.00 177.57 176.07 2d2w h GLU 89 N 0.02 -0.40 0.00 5.19 4.81 -1.63 0.52 114.58 123.08 2d2w h GLU 89 Ca 0.86 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.12 2d2w h GLU 89 Cb 3.25 0.09 0.00 0.00 0.63 0.00 0.00 28.75 32.72 2d2w h GLU 89 CO -0.12 -0.27 0.00 0.37 -0.73 0.00 0.00 179.01 178.26 2d2w h GLN 90 N -0.42 0.00 0.00 1.92 4.15 -0.48 -1.71 115.11 118.57 2d2w h GLN 90 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2d2w h GLN 90 Cb 0.48 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2d2w h GLN 90 CO -0.19 0.00 -0.07 0.00 -1.93 0.00 0.00 178.83 176.64 2d2w h ALA 91 N 2.10 0.99 0.00 3.38 0.00 0.77 -2.97 119.26 123.54 2d2w h ALA 91 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2d2w h ALA 91 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2d2w h ALA 91 CO 0.00 0.08 -1.20 1.19 0.00 0.00 0.00 179.25 179.32 2d2w n PHE 92 N -3.15 0.95 -2.00 0.00 3.72 -0.06 -4.82 117.46 112.10 2d2w n PHE 92 Ca 0.02 0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 57.29 2d2w n PHE 92 Cb 0.42 -1.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 2d2w n PHE 92 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2d2w s ARG 93 N -3.19 4.05 0.75 -1.08 0.52 -1.12 -4.99 118.95 113.90 2d2w s ARG 93 Ca -0.02 2.09 -0.05 0.00 -0.52 0.00 0.00 55.73 57.23 2d2w s ARG 93 Cb 0.09 -4.02 0.12 0.00 0.52 0.00 0.00 34.95 31.66 2d2w s ARG 93 CO 0.80 -1.00 1.05 0.15 0.02 0.00 0.00 175.30 176.32 2d2w s LYS 94 N 4.30 1.66 -0.27 3.54 1.02 -1.26 -5.02 119.74 123.70 2d2w s LYS 94 Ca 0.75 -0.71 0.21 0.00 0.02 0.00 0.00 55.97 56.24 2d2w s LYS 94 Cb -0.32 -2.20 0.50 0.00 -0.52 0.00 0.00 37.83 35.29 2d2w s LYS 94 CO 0.30 -1.54 1.10 0.54 -0.92 0.00 0.00 175.35 174.83 2d2w n ARG 95 N -3.01 1.80 0.00 1.68 1.74 -1.26 -5.08 116.66 112.53 2d2w n ARG 95 Ca 0.13 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.67 2d2w n ARG 95 Cb 0.60 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2d2w n ARG 95 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2d2w n ARG 96 N -0.54 0.00 -4.17 5.56 1.85 -1.26 -4.96 116.66 113.14 2d2w n ARG 96 Ca 0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.79 2d2w n ARG 96 Cb 0.81 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 32.10 2d2w n ARG 96 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2d2w s GLN 97 N -2.00 0.63 -0.22 2.89 -2.07 -1.26 -5.09 119.66 112.55 2d2w s GLN 97 Ca 0.00 -0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 52.63 2d2w s GLN 97 Cb 0.00 -0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 31.35 2d2w s GLN 97 CO 0.00 0.12 1.93 1.03 -1.32 0.00 0.00 175.29 177.05 2d2w s ARG 98 N -1.10 3.48 -1.42 9.60 0.52 -1.26 -4.87 118.95 123.91 2d2w s ARG 98 Ca -0.03 1.85 -0.11 0.00 -0.52 0.00 0.00 55.73 56.92 2d2w s ARG 98 Cb -0.07 -4.22 0.07 0.00 0.52 0.00 0.00 34.95 31.25 2d2w s ARG 98 CO 0.01 -1.69 2.26 0.41 0.02 0.00 0.00 175.30 176.30 2d2w n GLY 99 N 5.24 4.59 0.04 -3.53 0.00 -1.26 -4.39 105.19 105.88 2d2w n GLY 99 Ca 0.24 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.48 2d2w n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d2w n VAL 100 N 3.92 0.48 0.20 1.61 0.31 -1.26 -5.37 118.33 118.22 2d2w n VAL 100 Ca 0.54 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 2d2w n VAL 100 Cb 0.34 -0.21 0.09 0.00 -0.91 0.00 0.00 33.84 33.15 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31