#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 -3.05 -1.84 7.64 -1.26 -4.80 113.62 110.31 2d2w n SER 2 Ca 0.00 0.23 -0.21 0.00 1.01 0.00 0.00 58.87 59.90 2d2w n SER 2 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2d2w n SER 2 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2d2w n LYS 3 N -2.22 1.80 0.11 1.43 4.01 -1.26 -4.91 118.16 117.12 2d2w n LYS 3 Ca 0.00 -3.89 -0.03 0.00 -0.51 0.00 0.00 58.31 53.89 2d2w n LYS 3 Cb 0.00 -1.87 0.16 0.00 -0.51 0.00 0.00 35.03 32.81 2d2w n LYS 3 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2d2w h PRO 4 N 2.98 0.13 0.00 1.97 0.13 -1.91 -3.38 132.00 131.91 2d2w h PRO 4 Ca 0.10 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2d2w h PRO 4 Cb 0.83 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2d2w h PRO 4 CO 0.61 0.67 0.00 -0.35 -0.23 0.00 0.00 178.00 178.71 2d2w n PRO 5 N -3.87 0.00 -2.80 1.56 -0.04 -1.26 -4.37 135.00 124.22 2d2w n PRO 5 Ca -0.02 0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 63.47 2d2w n PRO 5 Cb 0.60 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 33.02 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 -1.06 3.92 0.00 0.54 1.51 -1.26 -2.99 117.35 118.02 2d2w s TYR 6 Ca 0.00 1.82 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 2d2w s TYR 6 Cb 0.00 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 2d2w s TYR 6 CO 0.00 0.40 0.00 0.43 -1.11 0.00 0.00 175.55 175.27 2d2w n SER 7 N 1.87 0.76 -3.32 2.29 7.64 -1.26 -4.83 113.62 116.77 2d2w n SER 7 Ca -0.02 -0.42 -0.40 0.00 1.01 0.00 0.00 58.87 59.04 2d2w n SER 7 Cb 0.48 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.26 2.88 0.00 1.43 4.02 -1.26 -2.84 117.16 121.13 2d2w n TYR 8 Ca 0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 57.90 55.41 2d2w n TYR 8 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 39.34 38.14 2d2w n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d2w n ALA 9 N -0.27 0.00 0.03 -0.72 0.00 -1.26 -4.89 120.51 113.41 2d2w n ALA 9 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.86 2d2w n ALA 9 Cb 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.00 -0.79 0.00 4.15 -1.95 -2.49 115.11 114.04 2d2w h GLN 10 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2d2w h GLN 10 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2d2w h GLN 10 CO 0.00 0.84 0.43 1.25 -1.93 0.00 0.00 178.83 179.43 2d2w h LEU 11 N 0.00 0.98 0.12 -2.39 5.85 -1.85 0.49 115.31 118.51 2d2w h LEU 11 Ca -0.10 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2d2w h LEU 11 Cb 1.85 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2d2w h LEU 11 CO 0.11 0.79 -0.06 0.40 -0.34 0.00 0.00 178.44 179.35 2d2w h ILE 12 N 1.11 1.07 -0.55 4.05 1.08 -1.78 -1.65 117.51 120.83 2d2w h ILE 12 Ca 0.28 -0.86 0.16 0.00 -0.39 0.00 0.00 64.86 64.05 2d2w h ILE 12 Cb 0.03 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 2d2w h ILE 12 CO -0.05 0.20 0.52 0.58 -0.69 0.00 0.00 178.15 178.72 2d2w h VAL 13 N -0.57 0.41 -0.03 1.67 2.07 -0.96 0.96 116.25 119.81 2d2w h VAL 13 Ca -0.02 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.26 2d2w h VAL 13 Cb 0.45 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2d2w h VAL 13 CO 0.03 0.00 -0.97 1.56 0.02 0.00 0.00 177.57 178.21 2d2w h GLN 14 N 0.00 0.65 0.08 1.57 1.08 -0.36 -0.51 115.11 117.62 2d2w h GLN 14 Ca 0.26 -0.66 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2d2w h GLN 14 Cb 1.31 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 2d2w h GLN 14 CO -0.00 1.26 -0.04 0.00 -0.95 0.00 0.00 178.83 179.10 2d2w h ALA 15 N 0.52 -0.11 0.01 3.87 0.00 0.18 -2.51 119.26 121.23 2d2w h ALA 15 Ca -0.10 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 2d2w h ALA 15 Cb 1.61 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2d2w h ALA 15 CO 0.19 -0.49 -1.39 -0.84 0.00 0.00 0.00 179.25 176.72 2d2w h ILE 16 N -0.25 1.25 0.00 0.00 -0.00 -1.35 -0.41 117.51 116.75 2d2w h ILE 16 Ca -0.01 -3.02 -0.01 0.00 -0.00 0.00 0.00 64.86 61.82 2d2w h ILE 16 Cb 0.21 2.64 -0.00 0.00 -0.00 0.00 0.00 36.82 39.67 2d2w h ILE 16 CO 0.02 0.73 -0.04 -1.28 -0.00 0.00 0.00 178.15 177.58 2d2w h SER 17 N 0.01 0.00 0.14 2.16 0.87 -1.14 0.79 113.55 116.37 2d2w h SER 17 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2d2w h SER 17 Cb 1.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 2d2w h SER 17 CO 0.11 0.04 -1.40 -0.24 -0.53 0.00 0.00 176.83 174.81 2d2w n SER 18 N -4.01 0.50 -4.56 6.23 2.88 -0.95 -4.95 113.62 108.77 2d2w n SER 18 Ca -0.03 -0.36 -0.29 0.00 -1.33 0.00 0.00 58.87 56.86 2d2w n SER 18 Cb 0.13 1.32 0.22 0.00 -0.75 0.00 0.00 64.21 65.13 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d2w s ALA 19 N -3.27 0.19 0.00 -1.46 0.00 0.27 -4.93 121.76 112.56 2d2w s ALA 19 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2d2w s ALA 19 Cb 0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2d2w s ALA 19 CO 0.87 -3.44 0.16 1.04 0.00 0.00 0.00 175.76 174.39 2d2w n GLN 20 N -4.65 0.00 0.00 0.00 6.02 -1.26 -4.31 117.38 113.18 2d2w n GLN 20 Ca 0.05 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2d2w n GLN 20 Cb 0.54 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.14 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2d2w n ASP 21 N -0.29 0.00 0.00 1.08 2.03 -1.26 -4.95 116.55 113.16 2d2w n ASP 21 Ca 0.00 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.73 2d2w n ASP 21 Cb 0.00 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 2d2w n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2d2w n ARG 22 N -1.49 0.00 -4.15 -0.67 1.74 -1.26 -4.89 116.66 105.93 2d2w n ARG 22 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2d2w n ARG 22 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.00 0.50 0.11 5.56 -2.07 -1.26 -3.05 119.66 119.45 2d2w s GLN 23 Ca 0.00 -0.15 0.08 0.00 -1.82 0.00 0.00 55.36 53.47 2d2w s GLN 23 Cb 0.00 -0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 31.38 2d2w s GLN 23 CO 0.00 0.06 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.32 2d2w s LEU 24 N 0.18 2.33 0.94 2.60 1.43 0.81 -4.79 118.68 122.18 2d2w s LEU 24 Ca -0.02 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 2d2w s LEU 24 Cb -0.06 -0.86 0.18 0.00 0.03 0.00 0.00 46.19 45.48 2d2w s LEU 24 CO -0.00 0.03 1.27 0.42 0.23 0.00 0.00 176.35 178.30 2d2w s THR 25 N -1.34 1.97 0.21 5.49 -4.23 -1.26 -0.33 115.64 116.14 2d2w s THR 25 Ca 0.08 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 2d2w s THR 25 Cb -0.09 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.93 2d2w s THR 25 CO 0.05 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.19 2d2w h LEU 26 N -1.58 0.59 -3.93 4.79 6.46 -1.94 -1.28 115.31 118.42 2d2w h LEU 26 Ca -0.45 0.02 -0.53 0.00 -0.12 0.00 0.00 57.88 56.80 2d2w h LEU 26 Cb 1.26 -0.10 -0.30 0.00 -0.73 0.00 0.00 40.66 40.80 2d2w h LEU 26 CO 0.45 0.39 0.67 -1.20 -0.62 0.00 0.00 178.44 178.13 2d2w n SER 27 N -4.76 4.37 -0.13 1.25 7.64 -1.26 -4.29 113.62 116.44 2d2w n SER 27 Ca 0.08 -3.58 -0.21 0.00 1.01 0.00 0.00 58.87 56.16 2d2w n SER 27 Cb 0.14 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 62.38 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 -1.05 -0.38 0.35 0.23 0.00 -0.48 -4.09 105.19 99.78 2d2w n GLY 28 Ca 0.58 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.33 0.81 -0.02 -0.61 2.10 -1.74 0.73 117.51 118.44 2d2w h ILE 29 Ca -0.60 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.30 2d2w h ILE 29 Cb 1.78 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2d2w h ILE 29 CO -0.20 0.01 -0.04 1.88 -1.08 0.00 0.00 178.15 178.72 2d2w h TYR 30 N 0.06 0.08 0.00 2.19 0.05 -1.82 -2.40 116.97 115.13 2d2w h TYR 30 Ca 0.20 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.95 2d2w h TYR 30 Cb 0.73 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2d2w h TYR 30 CO -0.00 0.61 0.00 0.00 -1.05 0.00 0.00 178.16 177.72 2d2w h ALA 31 N 0.46 1.00 0.02 3.88 0.00 -1.51 -2.46 119.26 120.64 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 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2d2w h ALA 31 CO 0.01 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.50 2d2w h HIS 32 N 0.00 -0.02 -0.69 0.00 -0.00 -0.71 -3.19 115.15 110.54 2d2w h HIS 32 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2d2w h HIS 32 Cb 0.49 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 2d2w h HIS 32 CO 0.00 -0.01 0.43 -0.84 -0.00 0.00 0.00 177.93 177.51 2d2w h ILE 33 N -0.17 1.19 -0.02 6.26 -0.00 -1.54 -0.37 117.51 122.85 2d2w h ILE 33 Ca -0.00 -0.38 0.01 0.00 -0.00 0.00 0.00 64.86 64.48 2d2w h ILE 33 Cb 0.02 0.21 -0.00 0.00 -0.00 0.00 0.00 36.82 37.05 2d2w h ILE 33 CO 0.00 0.19 0.16 0.71 -0.00 0.00 0.00 178.15 179.21 2d2w h THR 34 N 0.93 0.06 0.15 0.16 1.35 -1.62 0.98 112.91 114.92 2d2w h THR 34 Ca 0.25 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.78 2d2w h THR 34 Cb -0.07 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2d2w h THR 34 CO -0.05 0.00 -1.71 0.50 -0.25 0.00 0.00 175.52 174.01 2d2w h LYS 35 N 0.00 0.31 -0.59 4.72 3.64 -1.07 -3.36 116.57 120.22 2d2w h LYS 35 Ca 0.01 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2d2w h LYS 35 Cb 0.33 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2d2w h LYS 35 CO -0.00 1.25 0.00 0.72 -2.27 0.00 0.00 179.45 179.15 2d2w n HIS 36 N -3.68 1.47 -3.98 1.91 8.25 -0.42 -4.88 115.22 113.88 2d2w n HIS 36 Ca -0.27 -0.65 -0.20 0.00 -0.26 0.00 0.00 57.72 56.34 2d2w n HIS 36 Cb 1.01 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 31.67 2d2w n HIS 36 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2d2w s TYR 37 N -2.02 0.64 0.01 4.41 5.04 0.33 -5.01 117.35 120.74 2d2w s TYR 37 Ca 0.49 -0.16 -0.18 0.00 -2.44 0.00 0.00 57.07 54.78 2d2w s TYR 37 Cb 0.33 -0.67 -0.29 0.00 0.35 0.00 0.00 41.96 41.69 2d2w s TYR 37 CO 0.21 -0.23 1.03 -1.00 -1.34 0.00 0.00 175.55 174.23 2d2w h PRO 38 N 7.61 0.47 -0.51 4.97 0.13 -1.86 -3.28 132.00 139.52 2d2w h PRO 38 Ca -0.32 -0.64 0.02 0.00 -0.87 0.00 0.00 66.00 64.18 2d2w h PRO 38 Cb 1.14 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 2d2w h PRO 38 CO 0.40 1.27 0.34 -0.92 -0.23 0.00 0.00 178.00 178.85 2d2w h TYR 39 N -0.03 0.60 -1.09 1.56 3.20 -1.95 -3.00 116.97 116.26 2d2w h TYR 39 Ca -0.15 0.01 -0.74 0.00 3.14 0.00 0.00 58.73 61.00 2d2w h TYR 39 Cb 1.69 -0.20 -0.12 0.00 1.54 0.00 0.00 36.73 39.64 2d2w h TYR 39 CO 0.15 0.37 2.43 0.66 -1.64 0.00 0.00 178.16 180.13 2d2w n TYR 40 N -4.47 2.73 -0.86 -3.82 4.01 -1.24 -4.19 117.16 109.33 2d2w n TYR 40 Ca 0.05 -2.84 0.00 0.00 -0.16 0.00 0.00 57.90 54.95 2d2w n TYR 40 Cb 0.09 -1.96 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 2d2w n TYR 40 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2d2w n ARG 41 N 2.84 0.34 -1.01 -0.72 1.74 -1.14 -4.35 116.66 114.36 2d2w n ARG 41 Ca 0.55 -0.57 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 2d2w n ARG 41 Cb 0.29 -0.57 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 2d2w n ARG 41 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2d2w n THR 42 N -0.06 0.00 -3.07 0.55 -1.04 -1.26 -5.07 114.28 104.32 2d2w n THR 42 Ca 0.00 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.97 2d2w n THR 42 Cb 0.44 0.41 -0.00 0.00 -1.82 0.00 0.00 70.33 69.35 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d2w s ALA 43 N 0.01 -3.35 -0.01 2.41 0.00 -1.26 -5.02 121.76 114.54 2d2w s ALA 43 Ca 0.01 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.02 2d2w s ALA 43 Cb 0.03 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.46 2d2w s ALA 43 CO -0.01 -2.16 1.04 -0.40 0.00 0.00 0.00 175.76 174.23 2d2w n ASP 44 N 4.68 0.34 -2.38 0.00 5.68 -1.26 -4.88 116.55 118.73 2d2w n ASP 44 Ca 0.08 -2.11 -0.25 0.00 -0.50 0.00 0.00 54.79 52.01 2d2w n ASP 44 Cb 0.58 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 2d2w n ASP 44 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2d2w n LYS 45 N -0.05 2.30 0.16 0.11 2.85 -1.26 -3.87 118.16 118.39 2d2w n LYS 45 Ca 0.02 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.09 2d2w n LYS 45 Cb 0.76 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d2w n GLY 46 N 0.82 -1.59 0.00 2.58 0.00 -1.26 -4.91 105.19 100.83 2d2w n GLY 46 Ca 0.46 0.40 0.12 0.00 0.00 0.00 0.00 46.02 47.00 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 -3.25 0.00 0.24 1.61 4.27 -1.26 -3.41 117.44 115.63 2d2w n TRP 47 Ca 0.00 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.51 2d2w n TRP 47 Cb 0.00 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 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 -0.60 0.00 -2.67 5.75 -1.91 -2.01 115.11 113.67 2d2w h GLN 48 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2d2w h GLN 48 Cb 0.00 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2d2w h GLN 48 CO 0.00 -0.40 0.00 -2.95 -2.65 0.00 0.00 178.83 172.83 2d2w h ASN 49 N -0.76 0.00 0.62 -0.69 7.08 -1.90 -2.95 115.58 116.98 2d2w h ASN 49 Ca -0.06 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.03 2d2w h ASN 49 Cb 0.48 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 2d2w h ASN 49 CO 0.10 0.00 -0.62 0.28 -2.08 0.00 0.00 177.43 175.11 2d2w h SER 50 N 0.00 0.00 -0.09 6.14 0.02 -1.55 -2.88 113.55 115.19 2d2w h SER 50 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2d2w h SER 50 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2d2w h SER 50 CO 0.00 0.62 -0.12 0.40 -1.14 0.00 0.00 176.83 176.59 2d2w h ILE 51 N 0.00 1.38 -0.46 3.27 5.03 -1.18 -0.91 117.51 124.63 2d2w h ILE 51 Ca -0.01 -1.34 -0.04 0.00 -0.12 0.00 0.00 64.86 63.35 2d2w h ILE 51 Cb 1.10 2.06 -0.02 0.00 -3.03 0.00 0.00 36.82 36.92 2d2w h ILE 51 CO 0.08 0.38 0.10 0.08 -0.68 0.00 0.00 178.15 178.12 2d2w h ARG 52 N -0.19 0.70 -0.02 2.37 -0.00 -1.66 -2.00 114.38 113.57 2d2w h ARG 52 Ca 0.01 -0.13 -0.17 0.00 -0.00 0.00 0.00 59.98 59.69 2d2w h ARG 52 Cb 0.67 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.52 2d2w h ARG 52 CO 0.03 0.64 -0.76 1.25 -0.00 0.00 0.00 179.97 181.13 2d2w h HIS 53 N 0.68 0.25 -0.30 4.08 2.76 -1.47 -3.24 115.15 117.91 2d2w h HIS 53 Ca 0.15 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 2d2w h HIS 53 Cb 0.27 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2d2w h HIS 53 CO 0.01 0.87 -0.12 -0.91 -1.30 0.00 0.00 177.93 176.49 2d2w h ASN 54 N 0.12 0.63 0.00 3.26 2.35 -0.64 -2.47 115.58 118.82 2d2w h ASN 54 Ca -0.03 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2d2w h ASN 54 Cb 1.33 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2d2w h ASN 54 CO 0.11 0.88 0.21 -0.07 -1.65 0.00 0.00 177.43 176.92 2d2w h LEU 55 N 0.37 0.00 0.07 1.61 3.38 -1.40 0.12 115.31 119.46 2d2w h LEU 55 Ca 0.07 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 2d2w h LEU 55 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2d2w h LEU 55 CO 0.04 0.00 -1.87 -1.20 0.09 0.00 0.00 178.44 175.50 2d2w n SER 56 N -2.49 1.55 -0.47 -0.43 7.64 -0.95 -3.97 113.62 114.50 2d2w n SER 56 Ca -0.02 0.30 0.14 0.00 1.01 0.00 0.00 58.87 60.30 2d2w n SER 56 Cb 0.25 -0.50 0.52 0.00 -1.01 0.00 0.00 64.21 63.48 2d2w n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w n LEU 57 N -3.28 1.47 -4.86 -3.43 -0.00 0.19 -4.87 117.00 102.21 2d2w n LEU 57 Ca -0.25 -0.50 -0.33 0.00 -0.00 0.00 0.00 56.01 54.92 2d2w n LEU 57 Cb 1.05 -0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 44.40 2d2w n LEU 57 CO 0.44 0.25 0.26 0.20 -0.00 0.00 0.00 177.39 178.54 2d2w s ASN 58 N -1.96 6.73 0.00 1.45 0.01 0.11 -4.98 114.94 116.30 2d2w s ASN 58 Ca 0.38 1.04 0.25 0.00 -0.71 0.00 0.00 52.86 53.81 2d2w s ASN 58 Cb 0.21 -2.27 0.48 0.00 0.41 0.00 0.00 41.25 40.08 2d2w s ASN 58 CO 0.33 -0.02 1.40 -2.11 -1.51 0.00 0.00 177.10 175.18 2d2w n ARG 59 N 0.20 0.09 -0.06 -0.60 1.85 -1.26 -4.14 116.66 112.73 2d2w n ARG 59 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 57.85 56.74 2d2w n ARG 59 Cb 0.52 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.32 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2d2w n TYR 60 N -1.41 0.00 -2.53 2.89 0.18 -1.26 -4.85 117.16 110.18 2d2w n TYR 60 Ca 0.06 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.43 2d2w n TYR 60 Cb 0.34 -0.63 -0.03 0.00 -0.38 0.00 0.00 39.34 38.64 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 -2.45 2.32 0.63 -3.48 0.08 -1.26 -0.86 117.98 112.96 2d2w s PHE 61 Ca -0.07 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2d2w s PHE 61 Cb 0.05 -4.57 0.07 0.00 -0.57 0.00 0.00 43.02 38.00 2d2w s PHE 61 CO 0.58 -1.98 0.89 0.96 -0.10 0.00 0.00 175.22 175.57 2d2w s ILE 62 N 5.73 2.44 -0.10 0.64 -4.36 0.15 -4.71 121.20 121.00 2d2w s ILE 62 Ca 0.39 -0.56 0.03 0.00 -0.26 0.00 0.00 60.65 60.26 2d2w s ILE 62 Cb -0.08 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.75 2d2w s ILE 62 CO 0.18 0.00 -0.22 -0.75 0.24 0.00 0.00 174.94 174.39 2d2w s LYS 63 N -4.98 3.05 -0.44 0.37 2.20 -1.26 -2.63 119.74 116.06 2d2w s LYS 63 Ca 0.61 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 2d2w s LYS 63 Cb -0.09 -2.35 0.14 0.00 -1.51 0.00 0.00 37.83 34.02 2d2w s LYS 63 CO 0.41 0.21 0.25 0.54 -0.36 0.00 0.00 175.35 176.40 2d2w s VAL 64 N 0.28 1.31 0.00 4.02 0.11 -1.03 -5.00 120.40 120.08 2d2w s VAL 64 Ca -0.16 -2.54 0.00 0.00 -2.93 0.00 0.00 61.98 56.36 2d2w s VAL 64 Cb -0.17 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2d2w s VAL 64 CO 0.08 -0.92 0.00 -0.81 -3.33 0.00 0.00 175.10 170.12 2d2w n PRO 65 N 3.52 0.77 -3.18 1.54 -0.04 -1.26 -3.42 135.00 132.92 2d2w n PRO 65 Ca 0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2d2w n PRO 65 Cb 0.35 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.77 2d2w n PRO 65 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2d2w s ARG 66 N -0.57 0.02 -0.18 0.54 6.06 -1.12 -4.87 118.95 118.83 2d2w s ARG 66 Ca 0.00 0.04 0.16 0.00 -2.50 0.00 0.00 55.73 53.43 2d2w s ARG 66 Cb 0.00 0.02 0.43 0.00 0.06 0.00 0.00 34.95 35.47 2d2w s ARG 66 CO 0.00 -0.01 1.32 0.43 -2.50 0.00 0.00 175.30 174.54 2d2w n SER 67 N 4.47 2.94 -0.08 -2.12 7.64 -1.26 -1.26 113.62 123.94 2d2w n SER 67 Ca -0.07 -3.24 -0.16 0.00 1.01 0.00 0.00 58.87 56.41 2d2w n SER 67 Cb 0.56 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.19 2d2w n SER 67 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2d2w n GLN 68 N -0.99 0.33 0.04 1.43 7.27 -1.26 -4.83 117.38 119.38 2d2w n GLN 68 Ca 0.21 0.15 -0.02 0.00 0.07 0.00 0.00 57.00 57.40 2d2w n GLN 68 Cb 0.81 -1.06 -0.01 0.00 2.41 0.00 0.00 30.24 32.39 2d2w n GLN 68 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2d2w h GLU 69 N -0.57 -0.15 -7.19 3.69 4.57 -1.94 -3.45 114.58 109.53 2d2w h GLU 69 Ca -0.37 0.01 -0.53 0.00 -1.18 0.00 0.00 59.36 57.29 2d2w h GLU 69 Cb 1.28 0.03 0.16 0.00 -0.16 0.00 0.00 28.75 30.07 2d2w h GLU 69 CO -0.22 -0.10 0.37 -1.21 -1.18 0.00 0.00 179.01 176.67 2d2w s GLU 70 N -2.02 1.99 0.00 1.92 2.02 -1.26 -4.87 118.70 116.48 2d2w s GLU 70 Ca -0.02 1.73 0.22 0.00 0.02 0.00 0.00 54.97 56.92 2d2w s GLU 70 Cb 0.00 -1.82 1.32 0.00 0.10 0.00 0.00 34.13 33.74 2d2w s GLU 70 CO 0.07 -1.94 1.80 -0.35 0.02 0.00 0.00 175.26 174.86 2d2w n PRO 71 N -2.93 0.91 -0.91 0.39 -0.04 -1.26 -4.81 135.00 126.35 2d2w n PRO 71 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2d2w n PRO 71 Cb 0.50 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.72 3.41 3.63 0.55 0.00 -1.26 -5.10 105.19 107.15 2d2w n GLY 72 Ca 0.17 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2d2w n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d2w s LYS 73 N -0.83 3.81 0.24 1.61 -2.85 -1.26 -4.51 119.74 115.95 2d2w s LYS 73 Ca 0.00 1.75 -0.19 0.00 -1.00 0.00 0.00 55.97 56.53 2d2w s LYS 73 Cb 0.00 -4.05 -0.08 0.00 -2.06 0.00 0.00 37.83 31.64 2d2w s LYS 73 CO 0.00 -1.28 0.72 0.20 0.10 0.00 0.00 175.35 175.09 2d2w s GLY 74 N 4.33 2.56 -0.24 0.59 0.00 -0.39 -4.91 107.32 109.26 2d2w s GLY 74 Ca 0.73 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.56 2d2w s GLY 74 CO 0.30 0.46 0.06 -0.56 0.00 0.00 0.00 173.10 173.36 2d2w s SER 75 N -1.77 3.35 -0.13 1.64 0.01 -1.26 -2.79 113.70 112.75 2d2w s SER 75 Ca 0.45 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2d2w s SER 75 Cb -0.15 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.42 2d2w s SER 75 CO 0.20 -0.35 -0.12 0.12 0.41 0.00 0.00 173.24 173.50 2d2w s PHE 76 N 1.79 1.92 0.40 2.43 2.19 -1.22 -4.44 117.98 121.06 2d2w s PHE 76 Ca 0.03 -1.03 -0.22 0.00 0.33 0.00 0.00 56.93 56.04 2d2w s PHE 76 Cb -0.17 -1.46 -0.11 0.00 -1.31 0.00 0.00 43.02 39.98 2d2w s PHE 76 CO -0.16 -0.59 0.95 -1.58 1.83 0.00 0.00 175.22 175.67 2d2w s TRP 77 N 1.48 3.40 0.05 10.12 0.52 0.56 -2.46 118.94 132.61 2d2w s TRP 77 Ca 0.03 1.66 -0.27 0.00 0.02 0.00 0.00 56.10 57.54 2d2w s TRP 77 Cb -0.13 -2.88 0.07 0.00 -1.15 0.00 0.00 33.47 29.38 2d2w s TRP 77 CO -0.09 -0.06 0.67 0.50 0.02 0.00 0.00 176.95 177.99 2d2w s ARG 78 N -2.87 1.14 0.29 4.98 3.52 -1.08 -0.14 118.95 124.80 2d2w s ARG 78 Ca 0.59 -0.15 0.08 0.00 -0.13 0.00 0.00 55.73 56.12 2d2w s ARG 78 Cb -0.12 0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 2d2w s ARG 78 CO 0.16 -0.44 0.15 -1.50 -0.81 0.00 0.00 175.30 172.87 2d2w s ILE 79 N -2.59 3.70 0.58 4.11 2.07 -1.17 0.35 121.20 128.25 2d2w s ILE 79 Ca -0.04 -1.59 -0.19 0.00 -1.41 0.00 0.00 60.65 57.42 2d2w s ILE 79 Cb -0.01 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 39.42 2d2w s ILE 79 CO -0.03 -0.28 1.21 -1.81 -1.91 0.00 0.00 174.94 172.12 2d2w s ASP 80 N -3.83 5.25 0.11 4.50 1.01 -0.04 -4.79 116.67 118.88 2d2w s ASP 80 Ca 0.35 2.40 0.04 0.00 0.71 0.00 0.00 52.55 56.05 2d2w s ASP 80 Cb -0.06 -2.60 -0.20 0.00 1.01 0.00 0.00 42.92 41.07 2d2w s ASP 80 CO 0.23 -1.55 1.26 1.55 0.21 0.00 0.00 175.17 176.87 2d2w h PRO 81 N 0.98 0.09 0.00 8.23 0.13 -1.96 -2.83 132.00 136.64 2d2w h PRO 81 Ca -0.50 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 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 0.55 1.05 -0.97 0.00 -0.23 0.00 0.00 178.00 178.40 2d2w h ALA 82 N 0.89 0.51 0.00 -0.56 0.00 -2.01 -3.31 119.26 114.79 2d2w h ALA 82 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d2w h ALA 82 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2d2w h ALA 82 CO 0.15 0.00 -0.56 0.43 0.00 0.00 0.00 179.25 179.27 2d2w n SER 83 N -2.66 0.55 0.23 0.00 7.64 -1.24 -4.33 113.62 113.81 2d2w n SER 83 Ca 0.00 -0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.67 2d2w n SER 83 Cb 0.55 0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 2d2w n SER 83 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2d2w h GLU 84 N 0.00 -0.61 -1.63 1.43 5.08 -1.58 -1.21 114.58 116.06 2d2w h GLU 84 Ca 0.00 0.04 0.47 0.00 -1.00 0.00 0.00 59.36 58.87 2d2w h GLU 84 Cb 0.59 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2d2w h GLU 84 CO 0.00 -0.41 1.18 0.00 -1.00 0.00 0.00 179.01 178.78 2d2w n ALA 85 N -2.43 1.56 -0.03 3.43 0.00 -1.26 -0.71 120.51 121.07 2d2w n ALA 85 Ca -0.08 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2d2w n ALA 85 Cb 0.26 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 2d2w n ALA 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2d2w h LYS 86 N 0.00 0.00 0.28 0.00 3.64 -1.57 -3.30 116.57 115.61 2d2w h LYS 86 Ca 0.77 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.16 2d2w h LYS 86 Cb 3.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 34.90 2d2w h LYS 86 CO -0.01 0.00 -0.50 1.37 -2.27 0.00 0.00 179.45 178.04 2d2w h LEU 87 N -0.53 -1.44 -1.74 5.20 -0.00 0.20 -0.19 115.31 116.81 2d2w h LEU 87 Ca 0.00 0.14 0.47 0.00 -0.00 0.00 0.00 57.88 58.49 2d2w h LEU 87 Cb 0.07 0.51 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 2d2w h LEU 87 CO 0.00 -0.59 1.30 -0.37 -0.00 0.00 0.00 178.44 178.78 2d2w h VAL 88 N -0.84 0.05 -0.05 0.15 -1.51 -1.13 0.23 116.25 113.15 2d2w h VAL 88 Ca -0.02 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.48 2d2w h VAL 88 Cb 0.79 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.96 2d2w h VAL 88 CO -0.19 0.00 -0.27 -0.33 -1.23 0.00 0.00 177.57 175.55 2d2w h GLU 89 N 0.00 -0.38 0.00 5.19 5.08 -1.10 0.48 114.58 123.86 2d2w h GLU 89 Ca 0.77 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 2d2w h GLU 89 Cb 3.36 0.09 0.00 0.00 0.50 0.00 0.00 28.75 32.69 2d2w h GLU 89 CO -0.01 -0.25 0.00 1.96 -1.00 0.00 0.00 179.01 179.71 2d2w h GLN 90 N -0.39 0.00 0.00 2.33 1.08 -0.68 -2.87 115.11 114.58 2d2w h GLN 90 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2d2w h GLN 90 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2d2w h GLN 90 CO -0.27 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.61 2d2w n ALA 91 N -1.91 -0.04 -0.36 3.87 0.00 0.15 -3.70 120.51 118.52 2d2w n ALA 91 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.72 2d2w n ALA 91 Cb 0.29 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.28 2d2w n ALA 91 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d2w h PHE 92 N 0.00 0.68 -3.16 0.00 0.04 -1.16 -3.28 116.94 110.06 2d2w h PHE 92 Ca 0.00 0.03 -0.70 0.00 2.80 0.00 0.00 57.97 60.10 2d2w h PHE 92 Cb 0.00 -0.19 -0.19 0.00 2.20 0.00 0.00 35.95 37.77 2d2w h PHE 92 CO 0.02 -0.05 0.02 0.50 -0.60 0.00 0.00 178.31 178.20 2d2w s ARG 93 N -5.47 3.08 0.91 1.51 3.52 -1.08 -5.05 118.95 116.37 2d2w s ARG 93 Ca -0.09 -1.07 -0.10 0.00 -0.13 0.00 0.00 55.73 54.34 2d2w s ARG 93 Cb 0.27 -4.15 0.15 0.00 -1.56 0.00 0.00 34.95 29.66 2d2w s ARG 93 CO 0.80 -1.29 1.14 0.15 -0.81 0.00 0.00 175.30 175.29 2d2w s LYS 94 N 2.52 1.02 -0.46 5.12 1.02 -1.24 -4.57 119.74 123.15 2d2w s LYS 94 Ca 0.13 1.52 -0.03 0.00 0.02 0.00 0.00 55.97 57.60 2d2w s LYS 94 Cb -0.21 -1.73 0.12 0.00 -0.52 0.00 0.00 37.83 35.49 2d2w s LYS 94 CO 0.10 -2.62 0.27 -0.98 -0.92 0.00 0.00 175.35 171.20 2d2w s ARG 95 N -4.66 2.16 0.56 1.68 1.70 -1.16 -5.06 118.95 114.17 2d2w s ARG 95 Ca 0.67 -1.99 -0.10 0.00 -0.47 0.00 0.00 55.73 53.84 2d2w s ARG 95 Cb -0.23 -3.64 0.14 0.00 -0.57 0.00 0.00 34.95 30.66 2d2w s ARG 95 CO 0.58 -1.10 0.61 0.54 -1.08 0.00 0.00 175.30 174.85 2d2w n ARG 96 N 4.35 -1.43 0.02 3.89 1.74 -1.26 -4.29 116.66 119.68 2d2w n ARG 96 Ca -0.00 -0.96 -0.01 0.00 -0.77 0.00 0.00 57.85 56.11 2d2w n ARG 96 Cb 0.40 -0.77 -0.00 0.00 -1.02 0.00 0.00 32.46 31.07 2d2w n ARG 96 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2d2w n GLN 97 N -2.84 0.03 -2.22 5.56 7.27 -1.26 -4.79 117.38 119.13 2d2w n GLN 97 Ca 0.08 0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.77 2d2w n GLN 97 Cb 0.30 -0.56 0.00 0.00 2.41 0.00 0.00 30.24 32.39 2d2w n GLN 97 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2d2w n ARG 98 N -3.37 4.79 -1.63 3.69 1.74 -1.26 -4.60 116.66 116.02 2d2w n ARG 98 Ca -0.02 -3.88 -0.20 0.00 -0.77 0.00 0.00 57.85 52.99 2d2w n ARG 98 Cb 0.22 -2.54 0.07 0.00 -1.02 0.00 0.00 32.46 29.19 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d2w n GLY 99 N 0.95 6.03 3.63 -0.13 0.00 -1.26 -5.01 105.19 109.39 2d2w n GLY 99 Ca 0.56 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2d2w n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d2w s VAL 100 N -4.32 4.38 0.00 1.61 1.01 -1.26 -5.12 120.40 116.70 2d2w s VAL 100 Ca 0.51 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2d2w s VAL 100 Cb 0.42 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2d2w s VAL 100 CO 0.02 -0.60 0.00 -0.24 0.00 0.00 0.00 175.10 174.27