#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 0.00 -3.91 -1.84 3.41 -1.26 -5.07 113.62 104.95 2d2w n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2d2w n SER 2 Cb 0.00 0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2d2w s LYS 3 N -0.29 1.40 0.00 4.33 1.02 -1.26 -4.97 119.74 119.97 2d2w s LYS 3 Ca 0.00 -1.88 0.29 0.00 0.02 0.00 0.00 55.97 54.40 2d2w s LYS 3 Cb 0.00 -2.89 1.59 0.00 -0.52 0.00 0.00 37.83 36.01 2d2w s LYS 3 CO 0.00 -1.01 2.04 -0.35 -0.92 0.00 0.00 175.35 175.11 2d2w n PRO 4 N 4.06 1.16 -1.08 -1.68 -0.04 -1.26 -4.92 135.00 131.25 2d2w n PRO 4 Ca 0.03 -0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 2d2w n PRO 4 Cb 0.39 -1.47 0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.68 -0.63 -2.73 0.54 -0.04 -1.26 -5.00 135.00 125.20 2d2w n PRO 5 Ca 0.21 -1.14 -0.24 0.00 -0.04 0.00 0.00 63.50 62.29 2d2w n PRO 5 Cb 0.16 -0.71 0.02 0.00 -0.04 0.00 0.00 33.50 32.93 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 -2.49 3.24 0.91 0.54 2.02 -1.26 -5.01 117.35 115.30 2d2w s TYR 6 Ca 0.40 0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 2d2w s TYR 6 Cb -0.01 -2.49 0.19 0.00 -0.40 0.00 0.00 41.96 39.24 2d2w s TYR 6 CO 0.28 -0.55 0.42 0.43 -1.57 0.00 0.00 175.55 174.56 2d2w n SER 7 N -2.29 -2.96 -1.74 2.29 7.64 -1.26 -4.48 113.62 110.82 2d2w n SER 7 Ca 0.03 -0.42 -0.11 0.00 1.01 0.00 0.00 58.87 59.38 2d2w n SER 7 Cb 0.58 -0.68 0.17 0.00 -1.01 0.00 0.00 64.21 63.26 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 -4.32 1.94 0.00 1.43 4.01 -1.26 -2.29 117.16 116.66 2d2w n TYR 8 Ca 0.07 -1.17 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 2d2w n TYR 8 Cb 0.29 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 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 -0.34 1.92 0.04 -0.72 0.00 -1.26 -4.51 120.51 115.65 2d2w n ALA 9 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 2d2w n ALA 9 Cb 1.20 0.20 -0.14 0.00 0.00 0.00 0.00 19.45 20.72 2d2w n ALA 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d2w h GLN 10 N 0.00 0.14 -0.66 0.00 4.15 -1.90 -2.72 115.11 114.12 2d2w h GLN 10 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 2d2w h GLN 10 Cb 0.43 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2d2w h GLN 10 CO 0.00 0.95 0.36 1.25 -1.93 0.00 0.00 178.83 179.46 2d2w h LEU 11 N 0.04 0.83 0.08 -2.39 5.85 -1.68 -2.10 115.31 115.95 2d2w h LEU 11 Ca -0.22 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2d2w h LEU 11 Cb 1.97 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2d2w h LEU 11 CO 0.13 0.69 -0.04 0.40 -0.34 0.00 0.00 178.44 179.28 2d2w h ILE 12 N 0.90 1.02 -0.92 4.05 1.08 -1.77 -1.55 117.51 120.32 2d2w h ILE 12 Ca 0.23 -0.36 0.18 0.00 -0.39 0.00 0.00 64.86 64.53 2d2w h ILE 12 Cb 0.05 1.25 -0.11 0.00 -3.07 0.00 0.00 36.82 34.94 2d2w h ILE 12 CO -0.04 0.09 0.50 0.58 -0.69 0.00 0.00 178.15 178.59 2d2w h VAL 13 N -0.28 0.66 0.00 1.67 2.07 -1.13 0.42 116.25 119.66 2d2w h VAL 13 Ca -0.01 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 2d2w h VAL 13 Cb 0.23 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2d2w h VAL 13 CO 0.02 0.11 -0.66 -0.61 0.02 0.00 0.00 177.57 176.45 2d2w h GLN 14 N 0.62 0.00 -0.23 1.57 4.15 -1.21 -1.02 115.11 119.00 2d2w h GLN 14 Ca 0.53 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.81 2d2w h GLN 14 Cb 0.85 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2d2w h GLN 14 CO -0.41 0.66 -0.44 0.00 -1.93 0.00 0.00 178.83 176.71 2d2w h ALA 15 N 1.34 0.80 0.00 3.38 0.00 0.74 -2.01 119.26 123.51 2d2w h ALA 15 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2d2w h ALA 15 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2d2w h ALA 15 CO 0.09 0.66 -0.49 0.82 0.00 0.00 0.00 179.25 180.33 2d2w h ILE 16 N 0.46 0.42 -0.95 0.00 2.04 -0.72 -2.83 117.51 115.94 2d2w h ILE 16 Ca 0.03 -1.43 0.11 0.00 1.00 0.00 0.00 64.86 64.58 2d2w h ILE 16 Cb 0.96 0.91 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 2d2w h ILE 16 CO 0.09 0.14 0.59 0.77 0.00 0.00 0.00 178.15 179.74 2d2w h SER 17 N -1.00 0.86 1.71 1.72 4.64 -1.31 0.31 113.55 120.47 2d2w h SER 17 Ca -0.08 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2d2w h SER 17 Cb 0.62 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2d2w h SER 17 CO -0.05 0.47 -0.11 0.28 -0.87 0.00 0.00 176.83 176.55 2d2w h SER 18 N 0.94 0.00 -0.84 4.97 0.02 -1.53 -3.43 113.55 113.68 2d2w h SER 18 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2d2w h SER 18 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2d2w h SER 18 CO -0.26 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 2d2w n ALA 19 N -2.13 0.00 -1.00 3.77 0.00 0.10 -4.90 120.51 116.34 2d2w n ALA 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2d2w n ALA 19 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2d2w n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2w n GLN 20 N -1.57 0.00 -0.04 0.00 10.64 -1.26 -4.55 117.38 120.60 2d2w n GLN 20 Ca 0.00 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.14 2d2w n GLN 20 Cb 0.00 -0.46 -0.01 0.00 -0.86 0.00 0.00 30.24 28.92 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2d2w n ASP 21 N 0.00 0.98 0.00 2.61 8.00 -1.26 -4.96 116.55 121.92 2d2w n ASP 21 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2d2w n ASP 21 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2d2w n ARG 22 N -3.54 0.00 -3.87 -1.24 1.85 -1.24 -4.66 116.66 103.96 2d2w n ARG 22 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.70 2d2w n ARG 22 Cb 0.15 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.46 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2d2w s GLN 23 N 0.00 0.54 -0.04 2.89 -2.07 -1.25 -3.15 119.66 116.58 2d2w s GLN 23 Ca 0.00 -0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 52.75 2d2w s GLN 23 Cb 0.00 0.22 0.07 0.00 -1.09 0.00 0.00 33.01 32.22 2d2w s GLN 23 CO 0.00 -0.13 0.70 -0.48 -1.32 0.00 0.00 175.29 174.05 2d2w s LEU 24 N -1.60 -0.63 0.00 2.60 0.05 -0.77 -4.70 118.68 113.63 2d2w s LEU 24 Ca -0.12 0.65 -0.11 0.00 0.05 0.00 0.00 54.13 54.60 2d2w s LEU 24 Cb -0.06 2.50 0.15 0.00 -2.05 0.00 0.00 46.19 46.73 2d2w s LEU 24 CO -0.00 -0.62 0.86 0.35 -0.55 0.00 0.00 176.35 176.39 2d2w n THR 25 N 0.81 0.00 0.16 5.48 -2.24 -1.26 -0.32 114.28 116.91 2d2w n THR 25 Ca -0.18 -0.61 0.03 0.00 -2.27 0.00 0.00 64.05 61.01 2d2w n THR 25 Cb 0.58 -1.63 0.39 0.00 -2.10 0.00 0.00 70.33 67.57 2d2w n THR 25 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2d2w h LEU 26 N 0.00 0.11 -3.18 3.22 3.38 -1.91 -1.28 115.31 115.65 2d2w h LEU 26 Ca -0.28 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2d2w h LEU 26 Cb 0.78 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2d2w h LEU 26 CO 0.20 0.36 0.06 -0.24 0.09 0.00 0.00 178.44 178.90 2d2w n SER 27 N -4.21 4.80 -0.13 -0.43 2.88 -1.26 -4.10 113.62 111.16 2d2w n SER 27 Ca -0.02 -2.83 -0.22 0.00 -1.33 0.00 0.00 58.87 54.47 2d2w n SER 27 Cb 0.32 -0.67 -0.11 0.00 -0.75 0.00 0.00 64.21 63.00 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d2w n GLY 28 N 0.37 -0.39 0.36 0.46 0.00 -0.49 -4.11 105.19 101.40 2d2w n GLY 28 Ca 0.26 -0.16 0.14 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 -0.39 0.85 0.05 -0.61 2.10 -1.71 0.00 117.51 117.81 2d2w h ILE 29 Ca -0.62 -0.12 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 2d2w h ILE 29 Cb 1.78 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2d2w h ILE 29 CO -0.22 0.06 -0.02 1.88 -1.08 0.00 0.00 178.15 178.77 2d2w h TYR 30 N 0.35 -0.06 0.00 2.19 0.05 -1.77 -1.04 116.97 116.69 2d2w h TYR 30 Ca 0.29 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 2d2w h TYR 30 Cb 0.66 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 2d2w h TYR 30 CO -0.00 0.33 -0.01 0.00 -1.05 0.00 0.00 178.16 177.42 2d2w h ALA 31 N 0.46 1.01 0.01 3.88 0.00 -1.55 -1.67 119.26 121.39 2d2w h ALA 31 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d2w h ALA 31 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2d2w h ALA 31 CO 0.01 0.02 -0.00 1.25 0.00 0.00 0.00 179.25 180.52 2d2w h HIS 32 N 0.00 -0.01 -0.77 0.00 -0.00 -0.71 -3.31 115.15 110.35 2d2w h HIS 32 Ca -0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2d2w h HIS 32 Cb 0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 2d2w h HIS 32 CO 0.00 -0.00 0.50 -0.84 -0.00 0.00 0.00 177.93 177.59 2d2w h ILE 33 N -0.07 1.04 -0.13 6.26 -0.00 -1.27 -1.07 117.51 122.27 2d2w h ILE 33 Ca -0.00 -0.29 0.04 0.00 -0.00 0.00 0.00 64.86 64.61 2d2w h ILE 33 Cb 0.01 0.13 -0.01 0.00 -0.00 0.00 0.00 36.82 36.95 2d2w h ILE 33 CO 0.00 0.15 0.15 0.71 -0.00 0.00 0.00 178.15 179.17 2d2w h THR 34 N 0.84 0.45 0.03 0.16 1.35 -1.47 0.26 112.91 114.53 2d2w h THR 34 Ca 0.33 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.91 2d2w h THR 34 Cb 0.22 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 2d2w h THR 34 CO -0.11 0.00 -1.50 0.50 -0.25 0.00 0.00 175.52 174.16 2d2w h LYS 35 N 0.00 0.07 0.00 4.72 3.64 -1.28 -3.41 116.57 120.30 2d2w h LYS 35 Ca 0.06 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2d2w h LYS 35 Cb 0.36 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2d2w h LYS 35 CO -0.00 0.79 -0.15 0.45 -2.27 0.00 0.00 179.45 178.27 2d2w h HIS 36 N 0.02 0.00 -3.36 1.91 3.86 -0.99 -3.45 115.15 113.14 2d2w h HIS 36 Ca -0.21 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.46 2d2w h HIS 36 Cb 1.95 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.40 2d2w h HIS 36 CO 0.02 0.00 0.42 0.71 0.86 0.00 0.00 177.93 179.94 2d2w s TYR 37 N -1.43 3.61 0.18 2.45 2.02 0.76 -4.94 117.35 119.99 2d2w s TYR 37 Ca -0.04 1.62 0.08 0.00 -0.37 0.00 0.00 57.07 58.36 2d2w s TYR 37 Cb 0.01 -3.18 0.01 0.00 -0.40 0.00 0.00 41.96 38.39 2d2w s TYR 37 CO 0.07 -0.26 1.41 -1.00 -1.57 0.00 0.00 175.55 174.20 2d2w h PRO 38 N 6.83 0.00 -0.27 -1.71 0.13 -1.83 -3.31 132.00 131.84 2d2w h PRO 38 Ca -0.40 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2d2w h PRO 38 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d2w h PRO 38 CO 0.77 0.85 0.16 -0.92 -0.23 0.00 0.00 178.00 178.63 2d2w h TYR 39 N 0.00 0.30 -3.13 1.56 3.20 -1.93 -3.39 116.97 113.58 2d2w h TYR 39 Ca -0.01 0.01 -0.58 0.00 3.14 0.00 0.00 58.73 61.29 2d2w h TYR 39 Cb 1.51 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.62 2d2w h TYR 39 CO 0.00 0.18 0.82 0.71 -1.64 0.00 0.00 178.16 178.23 2d2w s TYR 40 N -6.17 3.26 0.25 -3.82 2.02 -1.25 -4.64 117.35 107.00 2d2w s TYR 40 Ca -0.13 1.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 2d2w s TYR 40 Cb 0.09 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2d2w s TYR 40 CO 0.70 -0.62 0.00 2.89 -1.57 0.00 0.00 175.55 176.95 2d2w n ARG 41 N 6.48 0.00 -0.97 -0.62 1.85 -1.26 -4.25 116.66 117.89 2d2w n ARG 41 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.92 2d2w n ARG 41 Cb 0.46 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.82 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2d2w n THR 42 N -3.03 0.00 0.00 8.89 -2.24 -1.26 -5.03 114.28 111.61 2d2w n THR 42 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2d2w n THR 42 Cb 0.00 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d2w n ALA 43 N 0.05 0.00 -2.83 6.98 0.00 -1.26 -5.02 120.51 118.43 2d2w n ALA 43 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2d2w n ALA 43 Cb 0.72 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.58 0.66 -0.24 0.00 1.01 -1.26 -5.02 116.67 110.24 2d2w s ASP 44 Ca 0.00 -1.38 0.02 0.00 0.71 0.00 0.00 52.55 51.90 2d2w s ASP 44 Cb 0.00 0.61 0.33 0.00 1.01 0.00 0.00 42.92 44.87 2d2w s ASP 44 CO 0.00 -1.19 1.53 0.29 0.21 0.00 0.00 175.17 176.00 2d2w n LYS 45 N -0.49 1.66 0.00 8.23 5.02 -1.26 -4.62 118.16 126.69 2d2w n LYS 45 Ca 0.01 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 2d2w n LYS 45 Cb 0.62 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d2w n GLY 46 N -0.28 -2.95 0.14 0.72 0.00 -1.26 -2.81 105.19 98.75 2d2w n GLY 46 Ca 0.31 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.49 0.60 -0.15 1.61 4.27 -1.26 -2.58 117.44 119.45 2d2w n TRP 47 Ca 0.00 0.32 -0.05 0.00 -3.89 0.00 0.00 57.50 53.88 2d2w n TRP 47 Cb 0.00 -0.99 0.02 0.00 -1.36 0.00 0.00 31.31 28.97 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 -0.13 0.00 -2.67 5.75 -1.80 0.42 115.11 116.68 2d2w h GLN 48 Ca 0.00 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2d2w h GLN 48 Cb 0.04 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2d2w h GLN 48 CO 0.00 -0.09 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.06 2d2w h ASN 49 N -0.13 0.00 0.14 -0.69 2.35 -1.57 -3.23 115.58 112.45 2d2w h ASN 49 Ca 0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2d2w h ASN 49 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2d2w h ASN 49 CO -0.55 0.12 -0.07 0.28 -1.65 0.00 0.00 177.43 175.56 2d2w h SER 50 N 0.00 -0.16 -0.71 5.81 0.02 -0.32 -2.54 113.55 115.65 2d2w h SER 50 Ca -0.00 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 2d2w h SER 50 Cb 0.71 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 2d2w h SER 50 CO 0.02 0.16 0.47 0.40 -1.14 0.00 0.00 176.83 176.73 2d2w h ILE 51 N -0.49 0.97 0.64 3.27 5.03 -1.26 0.23 117.51 125.90 2d2w h ILE 51 Ca -0.02 -0.23 -0.03 0.00 -0.12 0.00 0.00 64.86 64.46 2d2w h ILE 51 Cb 0.39 0.25 0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2d2w h ILE 51 CO 0.03 0.12 -0.31 -0.09 -0.68 0.00 0.00 178.15 177.23 2d2w h ARG 52 N 0.66 -0.83 0.00 2.37 2.43 -1.57 -3.09 114.38 114.36 2d2w h ARG 52 Ca 0.31 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2d2w h ARG 52 Cb 0.37 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2d2w h ARG 52 CO -0.11 -0.51 0.00 1.25 -1.51 0.00 0.00 179.97 179.09 2d2w h HIS 53 N -1.13 0.00 -0.16 2.20 2.76 -1.26 -3.24 115.15 114.33 2d2w h HIS 53 Ca -0.09 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.88 2d2w h HIS 53 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2d2w h HIS 53 CO 0.00 0.00 -0.70 -0.91 -1.30 0.00 0.00 177.93 175.02 2d2w h ASN 54 N 0.00 0.79 0.44 3.26 2.35 -0.53 -2.99 115.58 118.89 2d2w h ASN 54 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2d2w h ASN 54 Cb 0.60 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2d2w h ASN 54 CO 0.00 1.26 0.00 0.18 -1.65 0.00 0.00 177.43 177.22 2d2w n LEU 55 N -3.92 0.00 -0.08 1.61 4.77 -1.17 -0.21 117.00 118.00 2d2w n LEU 55 Ca -0.06 0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 2d2w n LEU 55 Cb 0.70 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 2d2w n LEU 55 CO 0.51 -0.24 -0.43 0.28 -1.33 0.00 0.00 177.39 176.17 2d2w h SER 56 N 0.00 0.09 0.20 -1.43 0.02 -1.68 -3.37 113.55 107.38 2d2w h SER 56 Ca 0.00 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2d2w h SER 56 Cb 0.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2d2w h SER 56 CO 0.00 1.49 -0.25 0.00 -1.14 0.00 0.00 176.83 176.93 2d2w n LEU 57 N -4.30 1.14 -4.69 5.07 -0.00 -1.16 -4.93 117.00 108.12 2d2w n LEU 57 Ca -0.29 -0.32 -0.31 0.00 -0.00 0.00 0.00 56.01 55.10 2d2w n LEU 57 Cb 0.72 -0.10 0.15 0.00 -0.00 0.00 0.00 43.42 44.19 2d2w n LEU 57 CO 0.25 0.21 0.68 0.20 -0.00 0.00 0.00 177.39 178.73 2d2w s ASN 58 N -2.46 3.22 0.06 1.45 0.02 0.70 -4.95 114.94 112.99 2d2w s ASN 58 Ca 0.25 2.04 0.18 0.00 -1.02 0.00 0.00 52.86 54.30 2d2w s ASN 58 Cb 0.19 -2.53 -0.13 0.00 0.02 0.00 0.00 41.25 38.80 2d2w s ASN 58 CO 0.51 -2.89 0.80 -1.14 0.02 0.00 0.00 177.10 174.40 2d2w n ARG 59 N -4.08 0.62 -0.38 -0.60 0.63 -1.26 -4.36 116.66 107.23 2d2w n ARG 59 Ca 0.10 0.18 0.07 0.00 -0.92 0.00 0.00 57.85 57.29 2d2w n ARG 59 Cb 0.53 -1.78 0.15 0.00 0.45 0.00 0.00 32.46 31.80 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2d2w n TYR 60 N -2.82 0.00 -3.96 -0.14 0.18 -1.26 -4.95 117.16 104.21 2d2w n TYR 60 Ca -0.09 -1.10 -0.33 0.00 1.88 0.00 0.00 57.90 58.26 2d2w n TYR 60 Cb 0.80 -0.18 -0.14 0.00 -0.38 0.00 0.00 39.34 39.44 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 -2.67 3.61 0.44 -3.48 0.08 -1.26 -1.80 117.98 112.90 2d2w s PHE 61 Ca 0.32 -2.67 0.00 0.00 0.12 0.00 0.00 56.93 54.70 2d2w s PHE 61 Cb 0.30 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 2d2w s PHE 61 CO -0.02 -0.93 0.66 0.96 -0.10 0.00 0.00 175.22 175.78 2d2w s ILE 62 N 1.02 4.22 0.34 0.64 -4.36 0.17 -4.69 121.20 118.53 2d2w s ILE 62 Ca 0.06 -0.46 0.04 0.00 -0.26 0.00 0.00 60.65 60.03 2d2w s ILE 62 Cb -0.20 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.93 2d2w s ILE 62 CO -0.06 -0.40 0.50 -0.75 0.24 0.00 0.00 174.94 174.47 2d2w s LYS 63 N -4.53 3.25 -0.43 0.37 2.20 -1.26 -2.12 119.74 117.22 2d2w s LYS 63 Ca 0.47 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 55.41 2d2w s LYS 63 Cb -0.10 -2.76 0.18 0.00 -1.51 0.00 0.00 37.83 33.65 2d2w s LYS 63 CO 0.38 0.10 0.70 0.54 -0.36 0.00 0.00 175.35 176.71 2d2w s VAL 64 N -2.23 -0.92 0.77 4.02 0.11 -1.07 -4.80 120.40 116.28 2d2w s VAL 64 Ca 0.42 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 2d2w s VAL 64 Cb -0.09 0.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.81 2d2w s VAL 64 CO 0.33 0.00 1.12 -2.16 -3.33 0.00 0.00 175.10 171.05 2d2w s PRO 65 N 1.57 2.28 0.30 1.54 0.04 -1.26 -3.85 135.00 135.62 2d2w s PRO 65 Ca 0.20 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 2d2w s PRO 65 Cb -0.02 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2d2w s PRO 65 CO -0.07 -1.44 0.53 -0.98 0.04 0.00 0.00 177.00 175.08 2d2w s ARG 66 N -5.33 1.77 -1.28 4.56 1.70 -1.26 -4.99 118.95 114.12 2d2w s ARG 66 Ca 0.60 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 54.27 2d2w s ARG 66 Cb -0.12 0.49 0.12 0.00 -0.57 0.00 0.00 34.95 34.86 2d2w s ARG 66 CO 0.52 -0.75 1.68 0.45 -1.08 0.00 0.00 175.30 176.12 2d2w n SER 67 N -0.87 4.97 -4.64 -2.89 2.88 -1.26 -4.98 113.62 106.83 2d2w n SER 67 Ca -0.02 -2.95 -0.27 0.00 -1.33 0.00 0.00 58.87 54.30 2d2w n SER 67 Cb 0.61 -1.65 0.11 0.00 -0.75 0.00 0.00 64.21 62.54 2d2w n SER 67 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2d2w s GLN 68 N 2.75 1.60 0.00 -1.46 -0.21 -1.26 -5.05 119.66 116.03 2d2w s GLN 68 Ca 0.48 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.48 2d2w s GLN 68 Cb 0.03 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2d2w s GLN 68 CO 0.03 -1.69 0.00 -1.91 -2.12 0.00 0.00 175.29 169.60 2d2w n GLU 69 N -3.23 0.00 -3.38 2.91 4.07 -1.26 -4.82 120.64 114.92 2d2w n GLU 69 Ca 0.11 0.28 -0.42 0.00 -0.06 0.00 0.00 57.16 57.07 2d2w n GLU 69 Cb 0.60 -0.77 -0.09 0.00 -0.06 0.00 0.00 31.44 31.12 2d2w n GLU 69 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2d2w s GLU 70 N -0.99 3.38 -0.29 5.31 2.56 -1.26 -5.03 118.70 122.37 2d2w s GLU 70 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 54.97 54.12 2d2w s GLU 70 Cb 0.00 -3.87 0.01 0.00 2.00 0.00 0.00 34.13 32.27 2d2w s GLU 70 CO 0.00 -0.64 1.18 -1.25 -0.56 0.00 0.00 175.26 173.99 2d2w s PRO 71 N 2.03 4.03 0.00 4.30 0.04 -1.26 -4.99 135.00 139.15 2d2w s PRO 71 Ca 0.11 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2d2w s PRO 71 Cb -0.17 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2d2w s PRO 71 CO 0.12 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2d2w n GLY 72 N 4.00 0.49 0.00 0.56 0.00 -1.26 -5.03 105.19 103.94 2d2w n GLY 72 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2d2w n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d2w n LYS 73 N 0.00 0.00 -0.30 1.61 3.00 -1.26 -5.02 118.16 116.19 2d2w n LYS 73 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2d2w n LYS 73 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.37 2d2w n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d2w n GLY 74 N 2.09 3.79 1.22 3.14 0.00 -1.26 -5.11 105.19 109.06 2d2w n GLY 74 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2d2w n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d2w n SER 75 N -0.50 0.11 -3.50 1.61 7.64 -1.26 -4.92 113.62 112.81 2d2w n SER 75 Ca 0.00 0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.79 2d2w n SER 75 Cb 0.00 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2d2w s PHE 76 N -1.14 -0.48 0.24 1.43 2.19 -1.25 -4.56 117.98 114.42 2d2w s PHE 76 Ca 0.00 0.53 0.05 0.00 0.33 0.00 0.00 56.93 57.84 2d2w s PHE 76 Cb 0.00 0.50 -0.05 0.00 -1.31 0.00 0.00 43.02 42.16 2d2w s PHE 76 CO 0.00 -0.61 -0.04 -1.58 1.83 0.00 0.00 175.22 174.83 2d2w s TRP 77 N -2.48 1.71 -0.27 10.12 0.52 0.57 -2.61 118.94 126.48 2d2w s TRP 77 Ca -0.01 -0.81 -0.21 0.00 0.02 0.00 0.00 56.10 55.09 2d2w s TRP 77 Cb -0.01 -0.97 0.08 0.00 -1.15 0.00 0.00 33.47 31.42 2d2w s TRP 77 CO -0.04 0.11 0.72 0.50 0.02 0.00 0.00 176.95 178.27 2d2w s ARG 78 N -3.79 0.77 0.23 4.98 3.52 -0.90 -1.85 118.95 121.91 2d2w s ARG 78 Ca 0.28 1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 56.90 2d2w s ARG 78 Cb 0.04 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.67 2d2w s ARG 78 CO 0.09 -0.12 0.48 -1.50 -0.81 0.00 0.00 175.30 173.45 2d2w s ILE 79 N 0.88 5.07 0.37 4.11 2.07 -1.19 -0.65 121.20 131.86 2d2w s ILE 79 Ca -0.04 0.06 -0.27 0.00 -1.41 0.00 0.00 60.65 58.98 2d2w s ILE 79 Cb -0.05 -3.69 -0.11 0.00 0.13 0.00 0.00 42.46 38.74 2d2w s ILE 79 CO -0.08 -0.17 1.35 0.47 -1.91 0.00 0.00 174.94 174.60 2d2w n ASP 80 N -0.51 3.05 -0.03 4.50 9.92 -0.75 -4.88 116.55 127.85 2d2w n ASP 80 Ca -0.02 1.20 -0.15 0.00 -0.53 0.00 0.00 54.79 55.28 2d2w n ASP 80 Cb 0.53 -1.53 -0.13 0.00 -0.64 0.00 0.00 41.12 39.35 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2d2w h PRO 81 N 2.58 0.09 0.00 -0.24 0.13 -1.95 -1.01 132.00 131.61 2d2w h PRO 81 Ca -0.48 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2d2w h PRO 81 Cb 1.27 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2d2w h PRO 81 CO 0.62 1.01 0.00 0.00 -0.23 0.00 0.00 178.00 179.41 2d2w n ALA 82 N -2.60 1.57 0.44 -0.56 0.00 -1.26 -1.67 120.51 116.43 2d2w n ALA 82 Ca -0.11 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2d2w n ALA 82 Cb 0.55 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.57 0.69 0.23 0.00 7.64 -1.23 -4.62 113.62 114.76 2d2w n SER 83 Ca 0.03 -0.67 -0.15 0.00 1.01 0.00 0.00 58.87 59.08 2d2w n SER 83 Cb 0.15 1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 64.32 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 -0.63 -0.10 1.43 4.81 -0.25 0.19 114.58 120.03 2d2w h GLU 84 Ca 0.00 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2d2w h GLU 84 Cb 0.27 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2d2w h GLU 84 CO 0.00 -0.42 0.55 0.00 -0.73 0.00 0.00 179.01 178.41 2d2w h ALA 85 N -0.11 1.66 0.00 2.92 0.00 -1.82 -1.29 119.26 120.62 2d2w h ALA 85 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2d2w h ALA 85 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2d2w h ALA 85 CO 0.00 -0.60 -0.38 -0.22 0.00 0.00 0.00 179.25 178.05 2d2w h LYS 86 N 0.00 0.00 0.13 0.00 3.64 -1.31 -3.33 116.57 115.70 2d2w h LYS 86 Ca 0.05 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2d2w h LYS 86 Cb 1.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 2d2w h LYS 86 CO -0.00 0.00 -0.45 1.37 -2.27 0.00 0.00 179.45 178.10 2d2w h LEU 87 N -0.96 -1.33 -1.89 5.20 -0.00 -0.51 0.70 115.31 116.51 2d2w h LEU 87 Ca 0.00 0.14 0.52 0.00 -0.00 0.00 0.00 57.88 58.53 2d2w h LEU 87 Cb 0.38 0.49 -0.07 0.00 -0.00 0.00 0.00 40.66 41.46 2d2w h LEU 87 CO 0.00 -0.48 1.34 -0.37 -0.00 0.00 0.00 178.44 178.93 2d2w h VAL 88 N -0.66 0.05 -0.06 0.15 -1.51 -1.49 0.21 116.25 112.95 2d2w h VAL 88 Ca -0.01 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 2d2w h VAL 88 Cb 0.65 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 2d2w h VAL 88 CO -0.23 0.00 -0.27 -0.08 -1.23 0.00 0.00 177.57 175.76 2d2w h GLU 89 N 0.00 -0.36 0.00 5.19 4.81 -0.96 0.42 114.58 123.67 2d2w h GLU 89 Ca 0.84 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.10 2d2w h GLU 89 Cb 3.51 0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.97 2d2w h GLU 89 CO -0.01 -0.24 0.00 1.04 -0.73 0.00 0.00 179.01 179.07 2d2w n GLN 90 N -5.38 0.19 0.23 1.92 3.00 0.68 -2.61 117.38 115.40 2d2w n GLN 90 Ca -0.04 0.28 0.11 0.00 -0.01 0.00 0.00 57.00 57.34 2d2w n GLN 90 Cb 0.30 -1.78 0.49 0.00 0.00 0.00 0.00 30.24 29.25 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2d2w h ALA 91 N 2.46 1.02 -0.00 -1.58 0.00 0.36 -2.54 119.26 118.97 2d2w h ALA 91 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2d2w h ALA 91 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2d2w h ALA 91 CO 0.00 0.24 -0.43 1.19 0.00 0.00 0.00 179.25 180.25 2d2w n PHE 92 N -3.35 0.00 -3.75 0.00 3.72 -0.45 -4.83 117.46 108.80 2d2w n PHE 92 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2d2w n PHE 92 Cb 0.41 -0.21 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 2d2w n PHE 92 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2d2w s ARG 93 N -2.86 0.23 0.00 -1.08 3.03 -0.96 -5.08 118.95 112.24 2d2w s ARG 93 Ca 0.15 0.46 0.00 0.00 2.03 0.00 0.00 55.73 58.37 2d2w s ARG 93 Cb 0.18 -0.03 0.00 0.00 -1.03 0.00 0.00 34.95 34.07 2d2w s ARG 93 CO 0.65 -0.12 0.00 1.17 -1.13 0.00 0.00 175.30 175.87 2d2w n LYS 94 N 3.76 0.00 -3.57 3.89 3.00 -1.26 -4.67 118.16 119.31 2d2w n LYS 94 Ca -0.21 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 57.91 2d2w n LYS 94 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.57 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 -0.03 2.98 0.24 1.64 1.81 -1.26 -5.00 118.95 119.33 2d2w s ARG 95 Ca 0.00 -1.11 0.00 0.00 -1.72 0.00 0.00 55.73 52.90 2d2w s ARG 95 Cb 0.00 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2d2w s ARG 95 CO 0.00 0.06 0.00 0.54 -0.68 0.00 0.00 175.30 175.22 2d2w n ARG 96 N -1.56 0.00 -1.20 3.54 1.74 -1.26 -5.14 116.66 112.78 2d2w n ARG 96 Ca -0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 2d2w n ARG 96 Cb 0.59 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.13 2d2w n ARG 96 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2d2w n GLN 97 N -2.97 -0.57 -4.46 5.56 1.13 -1.26 -5.06 117.38 109.74 2d2w n GLN 97 Ca 0.00 -1.24 -0.34 0.00 -1.94 0.00 0.00 57.00 53.48 2d2w n GLN 97 Cb 0.00 -0.71 -0.11 0.00 0.11 0.00 0.00 30.24 29.53 2d2w n GLN 97 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2d2w s ARG 98 N -4.53 3.16 0.50 -1.09 0.52 -1.26 -5.12 118.95 111.14 2d2w s ARG 98 Ca 0.42 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2d2w s ARG 98 Cb -0.01 -2.77 0.10 0.00 0.52 0.00 0.00 34.95 32.79 2d2w s ARG 98 CO 0.29 0.53 0.69 0.41 0.02 0.00 0.00 175.30 177.23 2d2w n GLY 99 N 2.67 0.31 2.98 -3.53 0.00 -1.26 -5.10 105.19 101.25 2d2w n GLY 99 Ca -0.18 -1.95 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 2d2w n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d2w s VAL 100 N -2.10 -0.72 -2.76 1.61 0.11 -1.26 -5.29 120.40 110.01 2d2w s VAL 100 Ca 0.44 -0.08 0.22 0.00 -2.93 0.00 0.00 61.98 59.63 2d2w s VAL 100 Cb -0.02 -0.89 0.17 0.00 -1.53 0.00 0.00 36.38 34.11 2d2w s VAL 100 CO 0.30 -0.11 1.20 -1.20 -3.33 0.00 0.00 175.10 171.95