#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w s SER 2 N 0.00 1.96 -0.27 1.62 1.04 -1.26 -5.11 113.70 111.68 2d2w s SER 2 Ca 0.00 -0.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 2d2w s SER 2 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 66.02 65.32 2d2w s SER 2 CO 0.00 0.08 0.36 -1.59 0.98 0.00 0.00 173.24 173.07 2d2w s LYS 3 N 0.40 4.00 -0.46 4.02 -2.85 -1.26 -4.98 119.74 118.62 2d2w s LYS 3 Ca -0.11 0.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.88 2d2w s LYS 3 Cb -0.14 -3.66 0.47 0.00 -2.06 0.00 0.00 37.83 32.44 2d2w s LYS 3 CO 0.03 -0.28 1.89 -0.35 0.10 0.00 0.00 175.35 176.75 2d2w n PRO 4 N 5.32 2.21 -0.94 1.78 -0.04 -1.26 -5.01 135.00 137.06 2d2w n PRO 4 Ca -0.09 -2.60 -0.19 0.00 -0.04 0.00 0.00 63.50 60.58 2d2w n PRO 4 Cb 0.51 -2.02 0.14 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.70 -1.54 -1.25 0.54 -0.04 -1.26 -4.98 135.00 125.78 2d2w n PRO 5 Ca 0.51 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 2d2w n PRO 5 Cb 1.08 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.54 -1.78 -0.71 0.54 4.01 -1.26 -4.80 117.16 109.62 2d2w n TYR 6 Ca 0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 2d2w n TYR 6 Cb 0.36 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.53 2d2w n TYR 6 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2d2w n SER 7 N -2.11 -2.64 -1.77 7.72 2.88 -1.26 -4.72 113.62 111.72 2d2w n SER 7 Ca 0.00 -0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.24 2d2w n SER 7 Cb 0.00 -0.80 0.05 0.00 -0.75 0.00 0.00 64.21 62.72 2d2w n SER 7 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2d2w n TYR 8 N -4.19 1.48 0.00 0.66 4.02 -1.26 -3.27 117.16 114.59 2d2w n TYR 8 Ca 0.01 -1.64 0.00 0.00 -0.01 0.00 0.00 57.90 56.26 2d2w n TYR 8 Cb 0.58 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 0.13 0.64 -0.02 -0.72 0.00 -1.26 -4.67 120.51 114.60 2d2w n ALA 9 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 2d2w n ALA 9 Cb 0.75 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 2d2w n ALA 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d2w n GLN 10 N -0.37 0.64 0.20 0.00 6.02 -1.20 -1.49 117.38 121.18 2d2w n GLN 10 Ca 0.00 0.29 0.07 0.00 -0.01 0.00 0.00 57.00 57.36 2d2w n GLN 10 Cb 0.00 -1.78 0.38 0.00 1.02 0.00 0.00 30.24 29.86 2d2w n GLN 10 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2d2w h LEU 11 N 0.01 0.00 0.00 1.08 -0.00 -1.87 -1.09 115.31 113.44 2d2w h LEU 11 Ca -0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.55 2d2w h LEU 11 Cb 2.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2d2w h LEU 11 CO 0.08 0.31 -0.41 0.40 -0.00 0.00 0.00 178.44 178.82 2d2w h ILE 12 N 0.00 0.29 -0.16 1.22 1.08 -1.83 -2.48 117.51 115.63 2d2w h ILE 12 Ca -0.00 -1.29 0.05 0.00 -0.39 0.00 0.00 64.86 63.23 2d2w h ILE 12 Cb 0.84 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 2d2w h ILE 12 CO 0.04 0.10 -0.28 0.58 -0.69 0.00 0.00 178.15 177.90 2d2w h VAL 13 N -1.00 0.34 -0.36 1.67 2.07 -1.31 1.14 116.25 118.81 2d2w h VAL 13 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2d2w h VAL 13 Cb 0.51 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2d2w h VAL 13 CO -0.03 0.00 0.26 -0.61 0.02 0.00 0.00 177.57 177.21 2d2w h GLN 14 N -0.34 0.00 0.08 1.57 4.15 -1.37 1.20 115.11 120.41 2d2w h GLN 14 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 2d2w h GLN 14 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2d2w h GLN 14 CO -0.35 0.00 -0.04 0.00 -1.93 0.00 0.00 178.83 176.51 2d2w h ALA 15 N 1.82 -0.71 0.00 3.38 0.00 0.16 -2.97 119.26 120.94 2d2w h ALA 15 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2d2w h ALA 15 Cb 0.68 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2d2w h ALA 15 CO -0.00 -0.70 -0.12 -0.84 0.00 0.00 0.00 179.25 177.58 2d2w h ILE 16 N -0.15 1.38 0.00 0.00 3.07 -0.18 -2.69 117.51 118.94 2d2w h ILE 16 Ca -0.01 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.32 2d2w h ILE 16 Cb 0.09 2.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2d2w h ILE 16 CO 0.02 0.47 0.29 0.28 -1.05 0.00 0.00 178.15 178.16 2d2w h SER 17 N -1.00 0.00 0.02 2.16 0.02 0.13 0.21 113.55 115.09 2d2w h SER 17 Ca -0.03 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2d2w h SER 17 Cb 0.85 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2d2w h SER 17 CO -0.02 0.00 -2.18 -0.24 -1.14 0.00 0.00 176.83 173.25 2d2w n SER 18 N -2.55 0.02 -4.75 3.07 2.88 -1.06 -4.88 113.62 106.35 2d2w n SER 18 Ca -0.02 0.01 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2d2w n SER 18 Cb 0.33 1.45 0.11 0.00 -0.75 0.00 0.00 64.21 65.34 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 -2.98 1.98 0.00 -1.46 0.00 0.75 -4.95 121.76 115.11 2d2w s ALA 19 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2d2w s ALA 19 Cb 0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2d2w s ALA 19 CO 0.87 -2.01 0.58 0.00 0.00 0.00 0.00 175.76 175.20 2d2w n GLN 20 N -3.68 0.00 -3.05 0.00 10.64 -1.26 -3.99 117.38 116.04 2d2w n GLN 20 Ca 0.09 0.50 -0.41 0.00 -1.83 0.00 0.00 57.00 55.35 2d2w n GLN 20 Cb 0.54 -1.08 -0.06 0.00 -0.86 0.00 0.00 30.24 28.78 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2d2w s ASP 21 N -2.84 6.63 -0.91 2.61 1.11 -1.26 -4.94 116.67 117.08 2d2w s ASP 21 Ca 0.00 0.76 -0.26 0.00 0.18 0.00 0.00 52.55 53.23 2d2w s ASP 21 Cb 0.00 -2.36 -0.18 0.00 1.07 0.00 0.00 42.92 41.45 2d2w s ASP 21 CO 0.00 -0.42 2.29 0.54 1.18 0.00 0.00 175.17 178.76 2d2w n ARG 22 N 5.81 0.36 -3.64 8.23 5.12 -1.25 -4.73 116.66 126.56 2d2w n ARG 22 Ca 0.01 -1.19 -0.05 0.00 -1.93 0.00 0.00 57.85 54.69 2d2w n ARG 22 Cb 0.49 -3.78 -0.07 0.00 -1.16 0.00 0.00 32.46 27.94 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2d2w s GLN 23 N 8.76 0.31 0.05 5.56 -2.07 -1.26 -3.03 119.66 127.98 2d2w s GLN 23 Ca 0.88 0.42 -0.04 0.00 -1.82 0.00 0.00 55.36 54.80 2d2w s GLN 23 Cb -0.10 0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 2d2w s GLN 23 CO 0.13 -0.05 0.07 -0.51 -1.32 0.00 0.00 175.29 173.61 2d2w s LEU 24 N 0.54 1.98 0.97 2.60 1.43 -0.58 -4.89 118.68 120.72 2d2w s LEU 24 Ca -0.00 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2d2w s LEU 24 Cb -0.04 0.53 0.20 0.00 0.03 0.00 0.00 46.19 46.90 2d2w s LEU 24 CO -0.11 -0.57 1.31 0.42 0.23 0.00 0.00 176.35 177.63 2d2w s THR 25 N -3.21 1.98 0.24 5.49 -4.23 -1.26 -2.69 115.64 111.96 2d2w s THR 25 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2d2w s THR 25 Cb 0.02 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 71.12 2d2w s THR 25 CO -0.07 0.00 1.90 0.25 -0.54 0.00 0.00 174.62 176.15 2d2w h LEU 26 N -1.67 1.14 -3.80 4.79 6.46 -1.95 -1.57 115.31 118.71 2d2w h LEU 26 Ca -0.44 -0.06 -0.36 0.00 -0.12 0.00 0.00 57.88 56.89 2d2w h LEU 26 Cb 1.24 -0.29 -0.22 0.00 -0.73 0.00 0.00 40.66 40.66 2d2w h LEU 26 CO 0.38 0.87 0.46 -0.24 -0.62 0.00 0.00 178.44 179.29 2d2w n SER 27 N -4.36 4.22 -0.13 1.25 2.88 -1.26 -4.28 113.62 111.94 2d2w n SER 27 Ca 0.11 -3.37 -0.22 0.00 -1.33 0.00 0.00 58.87 54.06 2d2w n SER 27 Cb 0.05 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.62 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 -0.63 -0.37 0.37 0.46 0.00 -0.59 -3.97 105.19 100.46 2d2w n GLY 28 Ca 0.49 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.43 0.93 0.52 -0.61 -0.00 -1.74 0.38 117.51 116.56 2d2w h ILE 29 Ca -0.60 -0.30 -0.03 0.00 -0.00 0.00 0.00 64.86 63.94 2d2w h ILE 29 Cb 1.72 -0.01 0.01 0.00 -0.00 0.00 0.00 36.82 38.54 2d2w h ILE 29 CO -0.23 0.16 -0.25 1.88 -0.00 0.00 0.00 178.15 179.71 2d2w h TYR 30 N 0.86 -0.65 0.00 2.19 0.05 -1.80 -2.11 116.97 115.52 2d2w h TYR 30 Ca 0.44 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2d2w h TYR 30 Cb 0.49 0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.44 2d2w h TYR 30 CO -0.00 -0.40 0.04 0.00 -1.05 0.00 0.00 178.16 176.75 2d2w h ALA 31 N -1.40 1.04 0.10 3.88 0.00 -1.64 -2.06 119.26 119.17 2d2w h ALA 31 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2d2w h ALA 31 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2d2w h ALA 31 CO 0.12 -0.04 -0.05 1.25 0.00 0.00 0.00 179.25 180.54 2d2w h HIS 32 N 0.00 -0.12 0.00 0.00 -0.00 -0.73 -3.33 115.15 110.98 2d2w h HIS 32 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2d2w h HIS 32 Cb 0.08 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2d2w h HIS 32 CO 0.00 0.13 -0.11 -0.84 -0.00 0.00 0.00 177.93 177.11 2d2w h ILE 33 N -1.01 0.93 0.00 6.26 -0.00 -1.09 -1.45 117.51 121.16 2d2w h ILE 33 Ca -0.01 -0.38 0.00 0.00 -0.00 0.00 0.00 64.86 64.46 2d2w h ILE 33 Cb 0.30 1.22 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 2d2w h ILE 33 CO 0.02 0.10 0.18 0.71 -0.00 0.00 0.00 178.15 179.17 2d2w h THR 34 N 0.00 0.00 0.08 0.16 1.35 -1.48 0.45 112.91 113.47 2d2w h THR 34 Ca -0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.56 2d2w h THR 34 Cb 0.21 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 2d2w h THR 34 CO 0.01 0.00 -1.58 0.50 -0.25 0.00 0.00 175.52 174.21 2d2w h LYS 35 N 0.00 0.17 0.00 4.72 3.11 -1.40 -3.41 116.57 119.76 2d2w h LYS 35 Ca 0.00 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2d2w h LYS 35 Cb 0.37 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2d2w h LYS 35 CO 0.00 0.98 0.00 0.72 -2.81 0.00 0.00 179.45 178.34 2d2w n HIS 36 N -3.36 0.00 -2.70 1.91 8.25 0.13 -4.83 115.22 114.63 2d2w n HIS 36 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 2d2w n HIS 36 Cb 1.04 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 2d2w n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2d2w s TYR 37 N -0.95 3.69 -0.07 4.41 2.02 0.40 -4.95 117.35 121.89 2d2w s TYR 37 Ca 0.00 1.70 -0.24 0.00 -0.37 0.00 0.00 57.07 58.17 2d2w s TYR 37 Cb 0.00 -3.12 -0.29 0.00 -0.40 0.00 0.00 41.96 38.15 2d2w s TYR 37 CO 0.00 -0.03 0.89 -1.00 -1.57 0.00 0.00 175.55 173.84 2d2w h PRO 38 N 6.45 0.22 0.00 -1.71 0.13 -1.83 -3.30 132.00 131.97 2d2w h PRO 38 Ca -0.42 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2d2w h PRO 38 Cb 1.22 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2d2w h PRO 38 CO 0.74 1.14 -0.00 -0.92 -0.23 0.00 0.00 178.00 178.73 2d2w h TYR 39 N -0.52 0.00 -0.38 1.56 5.03 -1.94 -1.83 116.97 118.89 2d2w h TYR 39 Ca -0.09 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2d2w h TYR 39 Cb 1.40 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.68 2d2w h TYR 39 CO 0.21 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.72 2d2w n TYR 40 N -3.10 0.69 -0.08 -3.82 4.02 -1.24 -4.14 117.16 109.50 2d2w n TYR 40 Ca -0.01 -0.30 -0.10 0.00 -0.01 0.00 0.00 57.90 57.48 2d2w n TYR 40 Cb 0.22 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 2d2w n TYR 40 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2d2w h ARG 41 N 2.30 0.38 -2.11 -0.72 2.43 -1.44 -3.33 114.38 111.89 2d2w h ARG 41 Ca 0.00 -0.08 -0.54 0.00 -0.81 0.00 0.00 59.98 58.55 2d2w h ARG 41 Cb 0.74 -0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 29.83 2d2w h ARG 41 CO 0.07 0.45 -0.94 -2.37 -1.51 0.00 0.00 179.97 175.68 2d2w n THR 42 N -4.75 1.04 -0.02 0.20 5.66 -1.26 -4.90 114.28 110.24 2d2w n THR 42 Ca -0.03 -4.86 -0.03 0.00 -3.05 0.00 0.00 64.05 56.08 2d2w n THR 42 Cb 0.15 -1.16 0.03 0.00 -1.55 0.00 0.00 70.33 67.80 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 0.41 -0.48 -2.44 1.79 0.00 -1.25 -5.05 120.51 113.50 2d2w n ALA 43 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2d2w n ALA 43 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2d2w n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d2w n ASP 44 N -3.21 0.27 -4.48 0.00 8.00 -1.26 -5.01 116.55 110.86 2d2w n ASP 44 Ca 0.01 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.78 2d2w n ASP 44 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 2d2w n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2d2w s LYS 45 N 1.31 3.42 0.15 -1.24 1.02 -1.26 -4.43 119.74 118.71 2d2w s LYS 45 Ca 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.72 2d2w s LYS 45 Cb 0.00 -4.75 0.00 0.00 -0.52 0.00 0.00 37.83 32.56 2d2w s LYS 45 CO 0.00 -1.89 0.00 0.41 -0.92 0.00 0.00 175.35 172.95 2d2w n GLY 46 N 5.70 -1.83 0.17 -3.33 0.00 -1.26 -4.92 105.19 99.71 2d2w n GLY 46 Ca 0.16 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.65 2d2w n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2d2w h TRP 47 N 0.00 0.00 0.00 1.61 5.08 -1.94 -2.76 115.95 117.94 2d2w h TRP 47 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2d2w h TRP 47 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2d2w h TRP 47 CO 0.00 0.47 0.00 0.00 -1.28 0.00 0.00 178.44 177.63 2d2w n GLN 48 N -3.73 0.00 -0.30 0.12 -0.00 -1.26 0.12 117.38 112.32 2d2w n GLN 48 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.94 2d2w n GLN 48 Cb 0.53 -0.46 0.07 0.00 -0.00 0.00 0.00 30.24 30.38 2d2w n GLN 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2d2w h ASN 49 N 0.00 1.02 0.00 2.61 -1.24 -1.97 -1.16 115.58 114.84 2d2w h ASN 49 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.92 2d2w h ASN 49 Cb 0.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2d2w h ASN 49 CO 0.00 0.82 0.29 -1.28 -1.29 0.00 0.00 177.43 175.97 2d2w h SER 50 N 1.14 0.00 0.01 1.15 0.87 -1.34 -1.44 113.55 113.94 2d2w h SER 50 Ca 0.29 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2d2w h SER 50 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2d2w h SER 50 CO -0.05 0.00 -0.01 0.40 -0.53 0.00 0.00 176.83 176.65 2d2w h ILE 51 N 0.00 0.32 -1.05 2.23 1.08 0.22 0.09 117.51 120.40 2d2w h ILE 51 Ca 0.00 -1.22 0.27 0.00 -0.39 0.00 0.00 64.86 63.52 2d2w h ILE 51 Cb 0.59 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.85 2d2w h ILE 51 CO 0.00 0.11 0.69 -0.09 -0.69 0.00 0.00 178.15 178.16 2d2w h ARG 52 N -1.00 0.32 -0.01 2.37 2.43 -1.28 0.75 114.38 117.96 2d2w h ARG 52 Ca -0.00 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 2d2w h ARG 52 Cb 0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2d2w h ARG 52 CO 0.00 0.21 -0.92 1.25 -1.51 0.00 0.00 179.97 179.01 2d2w h HIS 53 N 0.33 0.57 -0.30 2.20 2.76 -1.35 -3.27 115.15 116.09 2d2w h HIS 53 Ca 0.58 -0.30 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 2d2w h HIS 53 Cb 1.60 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.48 2d2w h HIS 53 CO -0.00 1.12 -0.19 -0.91 -1.30 0.00 0.00 177.93 176.65 2d2w h ASN 54 N 0.22 0.54 0.56 3.26 2.35 0.26 -2.46 115.58 120.31 2d2w h ASN 54 Ca -0.07 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2d2w h ASN 54 Cb 1.55 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.77 2d2w h ASN 54 CO 0.16 0.74 0.00 0.18 -1.65 0.00 0.00 177.43 176.86 2d2w n LEU 55 N -4.15 0.00 -0.09 1.61 7.99 -0.51 -1.44 117.00 120.41 2d2w n LEU 55 Ca 0.00 0.36 -0.14 0.00 -0.01 0.00 0.00 56.01 56.23 2d2w n LEU 55 Cb 0.37 -0.36 -0.07 0.00 -0.11 0.00 0.00 43.42 43.25 2d2w n LEU 55 CO 0.42 -0.08 -0.50 -1.20 -1.51 0.00 0.00 177.39 174.52 2d2w n SER 56 N -1.36 1.84 -0.80 -1.43 7.64 -0.94 -2.70 113.62 115.88 2d2w n SER 56 Ca 0.09 0.51 0.06 0.00 1.01 0.00 0.00 58.87 60.54 2d2w n SER 56 Cb 0.21 -0.91 0.18 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.51 2.30 0.00 -3.43 -0.00 -1.14 -4.79 117.00 105.43 2d2w n LEU 57 Ca -0.21 -1.15 -0.30 0.00 -0.00 0.00 0.00 56.01 54.34 2d2w n LEU 57 Cb 0.50 -0.31 0.26 0.00 -0.00 0.00 0.00 43.42 43.86 2d2w n LEU 57 CO 0.14 0.51 0.57 0.59 -0.00 0.00 0.00 177.39 179.20 2d2w n ASN 58 N 0.60 -2.43 0.08 1.45 5.03 -0.52 -4.96 115.26 114.52 2d2w n ASN 58 Ca 0.13 -1.12 0.09 0.00 0.87 0.00 0.00 54.58 54.55 2d2w n ASN 58 Cb 0.39 -1.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.12 2d2w n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2d2w n ARG 59 N -5.00 0.61 0.00 3.52 1.85 -1.26 -4.47 116.66 111.91 2d2w n ARG 59 Ca 0.15 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 2d2w n ARG 59 Cb 0.59 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 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 -2.69 0.00 -1.82 2.89 0.18 -1.26 -5.07 117.16 109.39 2d2w n TYR 60 Ca -0.02 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.45 2d2w n TYR 60 Cb 0.60 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.60 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 -0.56 3.36 0.24 -3.48 0.08 -1.26 -1.50 117.98 114.85 2d2w s PHE 61 Ca 0.00 1.17 -0.03 0.00 0.12 0.00 0.00 56.93 58.19 2d2w s PHE 61 Cb 0.00 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.52 2d2w s PHE 61 CO 0.00 -1.08 0.37 0.44 -0.10 0.00 0.00 175.22 174.85 2d2w n ILE 62 N -2.97 0.00 -4.69 0.64 -5.35 0.09 -4.72 119.36 102.36 2d2w n ILE 62 Ca 0.07 -1.03 -0.23 0.00 -0.27 0.00 0.00 62.75 61.28 2d2w n ILE 62 Cb 0.56 0.70 -0.15 0.00 -1.74 0.00 0.00 39.64 39.00 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 -2.41 1.29 0.49 6.28 1.02 -1.26 -2.79 119.74 122.37 2d2w s LYS 63 Ca 0.17 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 2d2w s LYS 63 Cb -0.01 -1.22 -0.07 0.00 -0.52 0.00 0.00 37.83 36.01 2d2w s LYS 63 CO 0.12 0.28 1.17 0.14 -0.92 0.00 0.00 175.35 176.15 2d2w s VAL 64 N -0.21 3.04 0.00 3.17 -7.23 -1.11 -4.92 120.40 113.13 2d2w s VAL 64 Ca 0.03 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 2d2w s VAL 64 Cb -0.07 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.51 2d2w s VAL 64 CO 0.00 -0.04 0.00 -0.81 -0.31 0.00 0.00 175.10 173.94 2d2w n PRO 65 N -0.74 0.32 0.06 4.82 -0.04 -1.26 -4.95 135.00 133.21 2d2w n PRO 65 Ca 0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2d2w n PRO 65 Cb 0.49 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.02 2d2w n PRO 65 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2d2w n ARG 66 N -0.65 0.37 -2.39 0.54 0.00 -1.26 -4.46 116.66 108.81 2d2w n ARG 66 Ca 0.00 0.06 -0.43 0.00 -0.00 0.00 0.00 57.85 57.48 2d2w n ARG 66 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 30.78 2d2w n ARG 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2d2w n SER 67 N -2.20 5.11 -4.95 6.15 3.41 -1.26 -4.96 113.62 114.92 2d2w n SER 67 Ca 0.02 -3.10 -0.23 0.00 -0.26 0.00 0.00 58.87 55.29 2d2w n SER 67 Cb 0.47 -1.48 0.01 0.00 -0.26 0.00 0.00 64.21 62.95 2d2w n SER 67 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2d2w s GLN 68 N 0.45 2.31 -0.59 4.33 0.74 -1.26 -5.02 119.66 120.61 2d2w s GLN 68 Ca 0.40 -1.82 -0.00 0.00 0.05 0.00 0.00 55.36 53.98 2d2w s GLN 68 Cb 0.09 -2.33 0.45 0.00 1.10 0.00 0.00 33.01 32.32 2d2w s GLN 68 CO 0.00 -0.65 1.86 0.39 -0.55 0.00 0.00 175.29 176.35 2d2w n GLU 69 N -1.90 2.88 -3.22 1.67 1.02 -1.26 -4.80 120.64 115.04 2d2w n GLU 69 Ca 0.05 -3.48 -0.01 0.00 -0.02 0.00 0.00 57.16 53.70 2d2w n GLU 69 Cb 0.63 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2d2w n GLU 69 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2d2w s GLU 70 N -3.79 0.61 -1.46 3.49 2.12 -1.26 -5.05 118.70 113.37 2d2w s GLU 70 Ca 0.62 0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.93 2d2w s GLU 70 Cb 0.49 0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.89 2d2w s GLU 70 CO -0.01 -1.10 2.39 -0.35 -0.54 0.00 0.00 175.26 175.65 2d2w n PRO 71 N 5.02 2.98 0.00 4.30 -0.04 -1.26 -4.88 135.00 141.12 2d2w n PRO 71 Ca 0.06 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2d2w n PRO 71 Cb 0.53 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 3.99 5.97 2.37 0.55 0.00 -1.26 -5.08 105.19 111.74 2d2w n GLY 72 Ca 0.58 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 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 2.03 -3.64 1.61 4.76 -1.26 -5.04 118.16 116.62 2d2w n LYS 73 Ca 0.00 -4.26 -0.10 0.00 -2.87 0.00 0.00 58.31 51.08 2d2w n LYS 73 Cb 0.00 -1.96 -0.07 0.00 -1.84 0.00 0.00 35.03 31.16 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2d2w s GLY 74 N -2.17 -0.40 0.63 0.72 0.00 -1.26 -5.15 107.32 99.69 2d2w s GLY 74 Ca 0.39 2.39 -0.15 0.00 0.00 0.00 0.00 44.72 47.35 2d2w s GLY 74 CO -0.04 1.98 1.09 -0.56 0.00 0.00 0.00 173.10 175.56 2d2w s SER 75 N 0.67 5.42 -0.16 1.64 0.01 -1.26 -5.05 113.70 114.97 2d2w s SER 75 Ca -0.02 1.93 -0.04 0.00 1.31 0.00 0.00 55.95 59.13 2d2w s SER 75 Cb -0.05 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.71 2d2w s SER 75 CO -0.06 -1.41 0.21 0.12 0.41 0.00 0.00 173.24 172.50 2d2w s PHE 76 N -2.37 -0.25 0.24 2.43 2.19 -1.26 -4.24 117.98 114.72 2d2w s PHE 76 Ca 0.66 0.41 0.08 0.00 0.33 0.00 0.00 56.93 58.41 2d2w s PHE 76 Cb -0.19 -0.30 -0.04 0.00 -1.31 0.00 0.00 43.02 41.18 2d2w s PHE 76 CO 0.39 -0.48 0.06 1.67 1.83 0.00 0.00 175.22 178.69 2d2w s TRP 77 N 2.32 2.87 0.23 10.12 1.48 -1.10 -2.77 118.94 132.11 2d2w s TRP 77 Ca 0.05 -0.16 -0.14 0.00 -1.06 0.00 0.00 56.10 54.79 2d2w s TRP 77 Cb -0.14 -1.31 0.00 0.00 -1.16 0.00 0.00 33.47 30.86 2d2w s TRP 77 CO -0.10 0.56 0.48 -0.98 -4.06 0.00 0.00 176.95 172.86 2d2w s ARG 78 N -3.52 1.50 0.20 3.25 1.70 -1.12 -1.53 118.95 119.43 2d2w s ARG 78 Ca 0.31 -1.18 0.02 0.00 -0.47 0.00 0.00 55.73 54.41 2d2w s ARG 78 Cb -0.08 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2d2w s ARG 78 CO 0.21 -0.62 0.35 -1.50 -1.08 0.00 0.00 175.30 172.66 2d2w s ILE 79 N -3.99 5.26 0.78 4.99 2.07 -1.17 -0.73 121.20 128.41 2d2w s ILE 79 Ca 0.20 -0.65 -0.14 0.00 -1.41 0.00 0.00 60.65 58.64 2d2w s ILE 79 Cb -0.01 -3.78 0.06 0.00 0.13 0.00 0.00 42.46 38.87 2d2w s ILE 79 CO 0.06 -0.20 1.16 0.47 -1.91 0.00 0.00 174.94 174.52 2d2w n ASP 80 N -0.87 1.03 -0.05 4.50 9.92 -0.56 -4.88 116.55 125.63 2d2w n ASP 80 Ca -0.07 0.63 -0.02 0.00 -0.53 0.00 0.00 54.79 54.80 2d2w n ASP 80 Cb 0.55 -1.49 -0.01 0.00 -0.64 0.00 0.00 41.12 39.52 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 -0.62 0.00 0.00 -0.24 0.13 -1.94 -3.26 132.00 126.06 2d2w h PRO 81 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.47 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2d2w h ALA 82 N -0.91 1.00 -0.01 -0.56 0.00 -2.01 -1.69 119.26 115.09 2d2w h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d2w h ALA 82 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2d2w h ALA 82 CO -0.00 0.00 -0.20 0.43 0.00 0.00 0.00 179.25 179.48 2d2w n SER 83 N -3.01 0.87 0.38 0.00 7.64 -1.26 -4.26 113.62 113.98 2d2w n SER 83 Ca -0.01 -0.82 -0.19 0.00 1.01 0.00 0.00 58.87 58.87 2d2w n SER 83 Cb 0.21 0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.38 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 1.06 -1.04 -0.55 1.43 5.08 -1.34 0.52 114.58 119.73 2d2w h GLU 84 Ca 0.00 0.07 0.16 0.00 -1.00 0.00 0.00 59.36 58.59 2d2w h GLU 84 Cb 0.46 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2d2w h GLU 84 CO 0.00 -0.69 0.81 0.00 -1.00 0.00 0.00 179.01 178.13 2d2w h ALA 85 N -0.91 2.34 0.00 3.43 0.00 -1.78 -1.09 119.26 121.25 2d2w h ALA 85 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2d2w h ALA 85 Cb 0.88 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2d2w h ALA 85 CO 0.06 -1.10 -0.05 -0.22 0.00 0.00 0.00 179.25 177.94 2d2w h LYS 86 N 0.00 0.00 0.02 0.00 3.11 -1.21 -3.32 116.57 115.16 2d2w h LYS 86 Ca 0.26 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.13 2d2w h LYS 86 Cb 1.89 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.06 2d2w h LYS 86 CO -0.00 0.00 -0.52 1.37 -2.81 0.00 0.00 179.45 177.49 2d2w h LEU 87 N -0.43 -1.59 -1.73 5.20 -0.00 -0.33 -0.04 115.31 116.38 2d2w h LEU 87 Ca 0.00 0.18 0.51 0.00 -0.00 0.00 0.00 57.88 58.57 2d2w h LEU 87 Cb 0.05 0.60 -0.10 0.00 -0.00 0.00 0.00 40.66 41.22 2d2w h LEU 87 CO 0.00 -0.52 1.14 -0.37 -0.00 0.00 0.00 178.44 178.69 2d2w h VAL 88 N -0.67 0.06 -0.13 0.15 -1.51 -1.44 0.40 116.25 113.10 2d2w h VAL 88 Ca 0.02 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.52 2d2w h VAL 88 Cb 0.72 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 29.87 2d2w h VAL 88 CO -0.34 0.00 -0.18 -0.08 -1.23 0.00 0.00 177.57 175.74 2d2w h GLU 89 N 0.02 -0.22 0.00 5.19 4.57 -1.09 0.26 114.58 123.32 2d2w h GLU 89 Ca 0.88 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 59.07 2d2w h GLU 89 Cb 3.20 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 31.84 2d2w h GLU 89 CO -0.20 -0.15 0.00 1.04 -1.18 0.00 0.00 179.01 178.52 2d2w n GLN 90 N -5.32 0.14 -0.00 1.92 1.13 0.13 -3.52 117.38 111.85 2d2w n GLN 90 Ca -0.03 0.18 -0.11 0.00 -1.94 0.00 0.00 57.00 55.10 2d2w n GLN 90 Cb 0.24 -1.69 -0.05 0.00 0.11 0.00 0.00 30.24 28.85 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d2w h ALA 91 N 2.64 0.13 -0.44 -1.58 0.00 0.79 -2.32 119.26 118.48 2d2w h ALA 91 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2d2w h ALA 91 Cb 0.56 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 2d2w h ALA 91 CO 0.00 -0.37 0.38 1.19 0.00 0.00 0.00 179.25 180.45 2d2w n PHE 92 N -5.01 1.42 -3.86 0.00 3.72 -1.02 -4.79 117.46 107.91 2d2w n PHE 92 Ca -0.05 -1.89 -0.28 0.00 -0.05 0.00 0.00 57.45 55.18 2d2w n PHE 92 Cb 0.03 -0.94 -0.17 0.00 -0.94 0.00 0.00 39.48 37.47 2d2w n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2d2w s ARG 93 N -1.66 1.28 0.05 -1.08 3.52 -0.88 -5.10 118.95 115.09 2d2w s ARG 93 Ca 0.30 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 2d2w s ARG 93 Cb 0.23 -1.89 -0.05 0.00 -1.56 0.00 0.00 34.95 31.68 2d2w s ARG 93 CO -0.01 -0.43 1.07 0.15 -0.81 0.00 0.00 175.30 175.27 2d2w s LYS 94 N 1.69 4.53 0.23 5.12 -0.14 -1.26 -5.00 119.74 124.91 2d2w s LYS 94 Ca 0.01 1.59 0.11 0.00 -1.36 0.00 0.00 55.97 56.32 2d2w s LYS 94 Cb -0.15 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 2d2w s LYS 94 CO -0.07 -0.09 -0.19 1.03 -0.76 0.00 0.00 175.35 175.27 2d2w s ARG 95 N 0.77 1.70 0.00 1.68 0.52 -1.26 -5.09 118.95 117.26 2d2w s ARG 95 Ca 0.54 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2d2w s ARG 95 Cb -0.25 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2d2w s ARG 95 CO 0.29 0.38 0.00 0.54 0.02 0.00 0.00 175.30 176.53 2d2w n ARG 96 N -0.15 0.00 -4.28 3.54 5.12 -1.26 -4.69 116.66 114.95 2d2w n ARG 96 Ca -0.09 0.12 -0.28 0.00 -1.93 0.00 0.00 57.85 55.67 2d2w n ARG 96 Cb 0.57 -0.49 -0.06 0.00 -1.16 0.00 0.00 32.46 31.33 2d2w n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2d2w n GLN 97 N -1.76 0.94 0.00 5.56 10.64 -1.26 -4.96 117.38 126.54 2d2w n GLN 97 Ca 0.00 -3.18 0.00 0.00 -1.83 0.00 0.00 57.00 51.99 2d2w n GLN 97 Cb 0.00 0.83 0.00 0.00 -0.86 0.00 0.00 30.24 30.21 2d2w n GLN 97 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2d2w n ARG 98 N -1.11 2.12 0.00 2.61 1.74 -1.26 -4.96 116.66 115.80 2d2w n ARG 98 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2d2w n ARG 98 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 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 4.23 1.61 3.32 -0.13 0.00 -1.26 -4.90 105.19 108.05 2d2w n GLY 99 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.30 0.00 1.61 1.01 -1.26 -5.24 120.40 119.81 2d2w s VAL 100 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2d2w s VAL 100 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2d2w s VAL 100 CO 0.00 0.44 0.00 -1.20 0.00 0.00 0.00 175.10 174.34