#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 -2.69 -3.47 4.31 3.41 -1.26 -4.10 113.62 109.82 2d2w n SER 2 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2d2w n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.00 0.45 -0.40 4.33 2.20 -1.26 -5.05 119.74 120.01 2d2w s LYS 3 Ca 0.00 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.29 2d2w s LYS 3 Cb 0.00 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.15 2d2w s LYS 3 CO 0.00 -1.15 1.34 -1.25 -0.36 0.00 0.00 175.35 173.92 2d2w s PRO 4 N 1.42 3.68 0.24 4.03 0.04 -1.26 -4.87 135.00 138.27 2d2w s PRO 4 Ca 0.15 0.94 0.13 0.00 0.04 0.00 0.00 61.00 62.26 2d2w s PRO 4 Cb -0.20 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2d2w s PRO 4 CO -0.10 -1.43 1.40 -1.00 0.04 0.00 0.00 177.00 175.91 2d2w h PRO 5 N 10.11 0.00 -6.06 0.56 0.13 -2.00 -3.44 132.00 131.30 2d2w h PRO 5 Ca -0.26 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.19 2d2w h PRO 5 Cb 1.10 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.99 2d2w h PRO 5 CO 1.08 0.64 -0.76 0.71 -0.23 0.00 0.00 178.00 179.45 2d2w s TYR 6 N -2.91 2.75 1.06 1.56 2.02 -1.26 -4.09 117.35 116.50 2d2w s TYR 6 Ca 0.03 -0.26 -0.20 0.00 -0.37 0.00 0.00 57.07 56.27 2d2w s TYR 6 Cb 0.08 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2d2w s TYR 6 CO 0.77 0.10 -0.36 0.43 -1.57 0.00 0.00 175.55 174.92 2d2w n SER 7 N 2.60 -2.71 -0.45 2.29 7.64 -1.26 -4.48 113.62 117.26 2d2w n SER 7 Ca -0.17 -0.02 0.09 0.00 1.01 0.00 0.00 58.87 59.78 2d2w n SER 7 Cb 0.52 -0.87 0.36 0.00 -1.01 0.00 0.00 64.21 63.21 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 -3.99 0.20 -0.03 1.43 4.01 -1.26 -0.96 117.16 116.56 2d2w n TYR 8 Ca 0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 57.90 57.62 2d2w n TYR 8 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.13 1.88 -0.01 -0.72 0.00 -1.26 -4.20 120.51 116.33 2d2w n ALA 9 Ca 0.14 -0.42 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2d2w n ALA 9 Cb 0.27 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.19 0.73 -0.28 0.00 7.27 -1.23 -3.46 117.38 118.22 2d2w n GLN 10 Ca -0.10 0.26 0.02 0.00 0.07 0.00 0.00 57.00 57.26 2d2w n GLN 10 Cb 0.66 -1.72 0.23 0.00 2.41 0.00 0.00 30.24 31.82 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 0.05 0.91 -0.32 1.69 5.85 -1.27 -2.05 115.31 120.17 2d2w h LEU 11 Ca -0.40 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.13 2d2w h LEU 11 Cb 2.03 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 2d2w h LEU 11 CO 0.08 0.62 -0.51 0.40 -0.34 0.00 0.00 178.44 178.68 2d2w h ILE 12 N 1.05 1.27 -0.39 4.05 1.08 -1.73 -3.15 117.51 119.70 2d2w h ILE 12 Ca 0.35 -1.70 0.08 0.00 -0.39 0.00 0.00 64.86 63.20 2d2w h ILE 12 Cb 0.06 1.57 -0.08 0.00 -3.07 0.00 0.00 36.82 35.30 2d2w h ILE 12 CO -0.11 0.56 -0.17 0.58 -0.69 0.00 0.00 178.15 178.31 2d2w h VAL 13 N 0.69 0.46 -0.06 1.67 2.07 -1.40 0.58 116.25 120.27 2d2w h VAL 13 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2d2w h VAL 13 Cb 1.12 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2d2w h VAL 13 CO 0.12 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.31 2d2w h GLN 14 N -0.10 0.00 0.00 1.57 4.20 -1.56 0.32 115.11 119.54 2d2w h GLN 14 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2d2w h GLN 14 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2d2w h GLN 14 CO -0.46 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.70 2d2w n ALA 15 N -2.53 -0.23 0.02 3.87 0.00 0.19 -2.04 120.51 119.80 2d2w n ALA 15 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2d2w n ALA 15 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 2d2w n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2d2w h ILE 16 N 0.00 1.20 -0.81 0.00 3.07 -1.12 0.64 117.51 120.50 2d2w h ILE 16 Ca 0.00 -0.82 0.15 0.00 1.55 0.00 0.00 64.86 65.74 2d2w h ILE 16 Cb 0.00 1.74 -0.06 0.00 -0.27 0.00 0.00 36.82 38.23 2d2w h ILE 16 CO 0.00 0.21 0.53 0.28 -1.05 0.00 0.00 178.15 178.12 2d2w h SER 17 N -0.42 0.48 0.80 2.16 0.02 -0.53 -0.40 113.55 115.66 2d2w h SER 17 Ca -0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2d2w h SER 17 Cb 0.38 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2d2w h SER 17 CO 0.01 0.25 -0.93 -1.20 -1.14 0.00 0.00 176.83 173.82 2d2w n SER 18 N -4.51 0.72 -3.88 3.07 7.64 -0.86 -4.69 113.62 111.11 2d2w n SER 18 Ca 0.16 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2d2w n SER 18 Cb 0.51 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w n ALA 19 N -2.00 0.00 -1.00 -0.43 0.00 0.21 -4.93 120.51 112.36 2d2w n ALA 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2d2w n ALA 19 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 -0.00 0.00 0.00 -1.26 -4.63 117.38 111.49 2d2w n GLN 20 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.00 57.00 2d2w n GLN 20 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 30.24 30.18 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2d2w h ASP 21 N 0.00 0.00 0.00 2.61 5.19 -1.91 -3.47 116.42 118.83 2d2w h ASP 21 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2d2w h ASP 21 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2d2w h ASP 21 CO 0.00 0.04 -0.07 -2.11 -3.12 0.00 0.00 179.24 173.98 2d2w n ARG 22 N -2.21 0.00 -4.20 3.56 1.85 -1.24 -4.77 116.66 109.65 2d2w n ARG 22 Ca -0.00 -0.24 -0.12 0.00 -1.00 0.00 0.00 57.85 56.48 2d2w n ARG 22 Cb 0.00 0.41 -0.10 0.00 -1.05 0.00 0.00 32.46 31.72 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 0.92 0.09 2.89 -2.07 -1.24 -2.96 119.66 117.29 2d2w s GLN 23 Ca 0.00 -1.37 -0.13 0.00 -1.82 0.00 0.00 55.36 52.05 2d2w s GLN 23 Cb 0.00 -0.39 0.02 0.00 -1.09 0.00 0.00 33.01 31.55 2d2w s GLN 23 CO 0.00 0.02 0.29 -0.51 -1.32 0.00 0.00 175.29 173.78 2d2w s LEU 24 N -3.05 0.93 0.77 2.60 1.43 -0.59 -4.61 118.68 116.16 2d2w s LEU 24 Ca 0.13 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 2d2w s LEU 24 Cb 0.04 1.39 0.06 0.00 0.03 0.00 0.00 46.19 47.71 2d2w s LEU 24 CO -0.02 -0.74 1.14 0.42 0.23 0.00 0.00 176.35 177.38 2d2w s THR 25 N -3.47 2.35 0.44 5.49 -4.23 -1.26 -3.03 115.64 111.93 2d2w s THR 25 Ca 0.01 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 60.79 2d2w s THR 25 Cb 0.02 -3.10 0.41 0.00 1.34 0.00 0.00 72.50 71.17 2d2w s THR 25 CO -0.09 -0.13 1.82 0.25 -0.54 0.00 0.00 174.62 175.93 2d2w h LEU 26 N -0.91 0.34 -4.70 4.79 6.46 -1.95 0.07 115.31 119.40 2d2w h LEU 26 Ca -0.46 0.05 -0.74 0.00 -0.12 0.00 0.00 57.88 56.61 2d2w h LEU 26 Cb 1.31 -0.01 -0.28 0.00 -0.73 0.00 0.00 40.66 40.96 2d2w h LEU 26 CO 0.65 0.10 1.01 -1.20 -0.62 0.00 0.00 178.44 178.38 2d2w n SER 27 N -4.49 7.59 -0.09 1.25 7.64 -1.26 -4.51 113.62 119.75 2d2w n SER 27 Ca 0.22 -3.82 -0.13 0.00 1.01 0.00 0.00 58.87 56.14 2d2w n SER 27 Cb 0.84 -1.04 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.65 -0.48 0.36 0.23 0.00 0.01 -4.13 105.19 100.53 2d2w n GLY 28 Ca 0.57 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.93 0.81 -0.32 -0.61 2.10 -1.79 -0.08 117.51 116.70 2d2w h ILE 29 Ca -0.17 -0.06 -0.05 0.00 1.08 0.00 0.00 64.86 65.66 2d2w h ILE 29 Cb 1.10 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 2d2w h ILE 29 CO -0.10 0.03 0.00 1.88 -1.08 0.00 0.00 178.15 178.88 2d2w h TYR 30 N 0.18 0.61 0.00 2.19 0.05 -1.83 -0.62 116.97 117.54 2d2w h TYR 30 Ca 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.93 2d2w h TYR 30 Cb 0.78 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2d2w h TYR 30 CO -0.00 0.68 0.00 0.00 -1.05 0.00 0.00 178.16 177.79 2d2w h ALA 31 N 0.84 1.00 -3.00 3.88 0.00 -1.23 -2.36 119.26 118.40 2d2w h ALA 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2d2w h ALA 31 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 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 -2.58 0.00 -0.28 0.00 -0.00 -0.29 -3.02 115.22 109.05 2d2w n HIS 32 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.76 2d2w n HIS 32 Cb 0.23 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.38 2d2w n HIS 32 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2d2w h ILE 33 N 0.00 0.87 -0.06 3.57 2.10 -1.54 0.12 117.51 122.58 2d2w h ILE 33 Ca 0.00 -0.24 0.02 0.00 1.08 0.00 0.00 64.86 65.71 2d2w h ILE 33 Cb 0.00 0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 35.83 2d2w h ILE 33 CO 0.00 0.13 0.06 0.71 -1.08 0.00 0.00 178.15 177.97 2d2w h THR 34 N 0.71 0.55 0.00 2.19 1.35 -1.50 0.91 112.91 117.12 2d2w h THR 34 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2d2w h THR 34 Cb 0.39 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2d2w h THR 34 CO -0.27 0.00 -0.06 0.50 -0.25 0.00 0.00 175.52 175.45 2d2w h LYS 35 N 0.00 0.00 -0.04 4.72 3.64 -0.71 -3.41 116.57 120.77 2d2w h LYS 35 Ca 0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2d2w h LYS 35 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2d2w h LYS 35 CO -0.00 0.00 -0.08 0.45 -2.27 0.00 0.00 179.45 177.55 2d2w h HIS 36 N -0.33 0.15 -3.08 1.91 3.86 -1.24 -3.42 115.15 113.01 2d2w h HIS 36 Ca 0.00 -0.06 -0.58 0.00 -1.16 0.00 0.00 60.37 58.58 2d2w h HIS 36 Cb 0.06 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 2d2w h HIS 36 CO -0.03 0.68 0.84 -0.47 0.86 0.00 0.00 177.93 179.81 2d2w s TYR 37 N -3.89 3.18 0.06 2.45 6.14 0.32 -4.89 117.35 120.71 2d2w s TYR 37 Ca -0.16 1.31 0.12 0.00 0.64 0.00 0.00 57.07 58.98 2d2w s TYR 37 Cb 0.02 -3.41 0.08 0.00 0.42 0.00 0.00 41.96 39.07 2d2w s TYR 37 CO 0.71 -0.84 1.44 -1.00 0.64 0.00 0.00 175.55 176.50 2d2w h PRO 38 N 7.78 0.00 -0.73 4.97 0.13 -1.82 -3.26 132.00 139.07 2d2w h PRO 38 Ca -0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 2d2w h PRO 38 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2d2w h PRO 38 CO 0.99 0.70 0.21 -0.92 -0.23 0.00 0.00 178.00 178.75 2d2w h TYR 39 N 0.00 1.19 -0.65 1.56 5.03 -1.90 -3.03 116.97 119.17 2d2w h TYR 39 Ca -0.01 -0.13 -0.50 0.00 2.58 0.00 0.00 58.73 60.67 2d2w h TYR 39 Cb 1.43 -0.34 -0.11 0.00 1.55 0.00 0.00 36.73 39.27 2d2w h TYR 39 CO 0.00 0.95 1.19 0.66 -1.32 0.00 0.00 178.16 179.64 2d2w n TYR 40 N -4.25 1.55 0.00 -3.82 4.02 -1.23 -4.00 117.16 109.42 2d2w n TYR 40 Ca 0.06 -2.21 0.00 0.00 -0.01 0.00 0.00 57.90 55.74 2d2w n TYR 40 Cb 0.24 -1.71 0.00 0.00 -0.02 0.00 0.00 39.34 37.85 2d2w n TYR 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2d2w n ARG 41 N 1.90 0.21 -0.04 -0.72 0.63 -1.15 -3.72 116.66 113.78 2d2w n ARG 41 Ca 0.55 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.50 2d2w n ARG 41 Cb 0.53 -0.87 -0.13 0.00 0.45 0.00 0.00 32.46 32.44 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2d2w n THR 42 N -2.19 0.42 -3.70 5.15 -2.24 -1.26 -4.74 114.28 105.72 2d2w n THR 42 Ca 0.00 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 2d2w n THR 42 Cb 0.37 -0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d2w s ALA 43 N -2.85 3.84 -0.01 6.98 0.00 -1.26 -4.78 121.76 123.69 2d2w s ALA 43 Ca -0.07 -3.53 0.01 0.00 0.00 0.00 0.00 51.96 48.38 2d2w s ALA 43 Cb 0.08 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.54 2d2w s ALA 43 CO 0.67 -2.13 0.81 -0.40 0.00 0.00 0.00 175.76 174.72 2d2w n ASP 44 N 2.94 1.08 -2.26 0.00 5.75 -1.26 -4.66 116.55 118.13 2d2w n ASP 44 Ca 0.14 -1.68 -0.21 0.00 -0.01 0.00 0.00 54.79 53.03 2d2w n ASP 44 Cb 0.37 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.33 2d2w n ASP 44 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d2w n LYS 45 N -0.33 2.18 0.00 0.11 4.81 -1.26 -3.65 118.16 120.02 2d2w n LYS 45 Ca 0.01 -1.80 0.00 0.00 -0.87 0.00 0.00 58.31 55.65 2d2w n LYS 45 Cb 0.41 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d2w n GLY 46 N 1.34 -1.48 0.14 3.14 0.00 -1.26 -4.25 105.19 102.80 2d2w n GLY 46 Ca 0.44 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.82 0.68 -0.10 1.61 4.27 -1.26 -3.08 117.44 117.73 2d2w n TRP 47 Ca 0.00 0.32 -0.13 0.00 -3.89 0.00 0.00 57.50 53.81 2d2w n TRP 47 Cb 0.00 -1.02 -0.09 0.00 -1.36 0.00 0.00 31.31 28.85 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 -0.38 0.00 -2.67 5.75 -1.90 0.40 115.11 116.31 2d2w h GLN 48 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2d2w h GLN 48 Cb 0.12 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.75 2d2w h GLN 48 CO 0.00 -0.25 0.00 -2.95 -2.65 0.00 0.00 178.83 172.98 2d2w h ASN 49 N -0.39 0.00 -0.33 -0.69 7.08 -1.87 -3.01 115.58 116.37 2d2w h ASN 49 Ca 0.06 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.21 2d2w h ASN 49 Cb 0.54 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.76 2d2w h ASN 49 CO -0.50 0.00 -0.01 0.77 -2.08 0.00 0.00 177.43 175.61 2d2w h SER 50 N 0.00 0.66 0.18 6.14 4.64 -0.30 -2.28 113.55 122.59 2d2w h SER 50 Ca 0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2d2w h SER 50 Cb 0.55 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2d2w h SER 50 CO 0.00 0.74 -0.09 0.40 -0.87 0.00 0.00 176.83 177.01 2d2w h ILE 51 N 0.65 0.85 -0.73 0.95 1.08 -1.08 0.31 117.51 119.54 2d2w h ILE 51 Ca 0.13 -1.04 0.17 0.00 -0.39 0.00 0.00 64.86 63.72 2d2w h ILE 51 Cb 0.42 1.40 -0.12 0.00 -3.07 0.00 0.00 36.82 35.45 2d2w h ILE 51 CO 0.02 0.21 0.05 -0.09 -0.69 0.00 0.00 178.15 177.64 2d2w h ARG 52 N -0.82 0.14 0.00 2.37 1.12 -1.61 0.48 114.38 116.06 2d2w h ARG 52 Ca -0.02 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 2d2w h ARG 52 Cb 0.52 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2d2w h ARG 52 CO 0.04 0.09 -0.25 1.25 -3.11 0.00 0.00 179.97 177.99 2d2w h HIS 53 N 0.14 0.00 -0.20 2.20 2.76 -1.41 -3.25 115.15 115.39 2d2w h HIS 53 Ca 0.40 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.41 2d2w h HIS 53 Cb 0.71 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2d2w h HIS 53 CO -0.37 0.25 -0.55 -0.91 -1.30 0.00 0.00 177.93 175.05 2d2w h ASN 54 N 0.00 0.68 0.12 3.26 2.35 0.39 -2.64 115.58 119.74 2d2w h ASN 54 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2d2w h ASN 54 Cb 1.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2d2w h ASN 54 CO 0.03 1.10 0.00 0.18 -1.65 0.00 0.00 177.43 177.09 2d2w n LEU 55 N -3.96 0.00 -0.10 1.61 7.99 -0.43 -0.76 117.00 121.35 2d2w n LEU 55 Ca -0.03 0.09 -0.18 0.00 -0.01 0.00 0.00 56.01 55.87 2d2w n LEU 55 Cb 0.61 -0.09 -0.09 0.00 -0.11 0.00 0.00 43.42 43.74 2d2w n LEU 55 CO 0.48 -0.03 -0.53 -0.24 -1.51 0.00 0.00 177.39 175.56 2d2w n SER 56 N -1.09 1.85 -0.36 -1.43 2.88 -1.00 -4.35 113.62 110.13 2d2w n SER 56 Ca 0.14 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.27 2d2w n SER 56 Cb 0.10 -0.94 0.32 0.00 -0.75 0.00 0.00 64.21 62.95 2d2w n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d2w n LEU 57 N -4.47 1.35 -4.71 2.46 -0.00 -1.20 -4.94 117.00 105.50 2d2w n LEU 57 Ca -0.27 -0.42 -0.35 0.00 -0.00 0.00 0.00 56.01 54.97 2d2w n LEU 57 Cb 0.60 -0.08 0.10 0.00 -0.00 0.00 0.00 43.42 44.04 2d2w n LEU 57 CO 0.16 0.25 0.83 0.20 -0.00 0.00 0.00 177.39 178.83 2d2w s ASN 58 N -2.40 4.09 0.01 1.45 0.02 0.06 -4.93 114.94 113.24 2d2w s ASN 58 Ca 0.26 2.47 0.15 0.00 -1.02 0.00 0.00 52.86 54.72 2d2w s ASN 58 Cb 0.19 -2.60 -0.18 0.00 0.02 0.00 0.00 41.25 38.68 2d2w s ASN 58 CO 0.49 -2.34 0.73 -1.14 0.02 0.00 0.00 177.10 174.85 2d2w n ARG 59 N -2.65 0.63 -0.07 -0.60 3.00 -1.26 -4.41 116.66 111.30 2d2w n ARG 59 Ca 0.14 0.25 -0.19 0.00 -0.00 0.00 0.00 57.85 58.05 2d2w n ARG 59 Cb 0.49 -1.79 -0.13 0.00 0.00 0.00 0.00 32.46 31.03 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2d2w n TYR 60 N -2.95 0.57 -2.38 -0.14 4.11 -1.26 -4.87 117.16 110.24 2d2w n TYR 60 Ca -0.14 0.13 -0.33 0.00 -0.00 0.00 0.00 57.90 57.56 2d2w n TYR 60 Cb 0.94 -1.08 -0.03 0.00 -0.00 0.00 0.00 39.34 39.18 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2d2w s PHE 61 N -2.54 3.20 0.08 -3.48 0.08 -1.26 0.26 117.98 114.32 2d2w s PHE 61 Ca -0.28 1.52 -0.18 0.00 0.12 0.00 0.00 56.93 58.11 2d2w s PHE 61 Cb 0.08 -2.92 0.04 0.00 -0.57 0.00 0.00 43.02 39.65 2d2w s PHE 61 CO 0.69 -0.65 0.44 0.96 -0.10 0.00 0.00 175.22 176.55 2d2w s ILE 62 N -2.38 0.05 1.12 0.64 -4.36 -0.53 -4.72 121.20 111.03 2d2w s ILE 62 Ca 0.62 -0.44 -0.18 0.00 -0.26 0.00 0.00 60.65 60.40 2d2w s ILE 62 Cb -0.13 -1.04 0.26 0.00 1.25 0.00 0.00 42.46 42.80 2d2w s ILE 62 CO 0.28 -0.24 1.18 -0.54 0.24 0.00 0.00 174.94 175.86 2d2w s LYS 63 N -3.03 -0.60 -0.06 0.37 1.02 -1.26 -1.30 119.74 114.88 2d2w s LYS 63 Ca -0.02 -0.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.67 2d2w s LYS 63 Cb 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 2d2w s LYS 63 CO -0.06 -3.28 0.34 0.08 -0.92 0.00 0.00 175.35 171.51 2d2w s VAL 64 N -3.29 5.18 0.64 3.17 1.01 0.70 -4.67 120.40 123.14 2d2w s VAL 64 Ca 0.72 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 2d2w s VAL 64 Cb -0.08 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2d2w s VAL 64 CO 0.55 0.54 1.04 -2.16 0.00 0.00 0.00 175.10 175.07 2d2w s PRO 65 N -0.68 3.28 -0.37 2.72 0.04 -1.26 -4.85 135.00 133.88 2d2w s PRO 65 Ca 0.21 0.95 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2d2w s PRO 65 Cb -0.15 -2.04 0.32 0.00 0.04 0.00 0.00 34.50 32.68 2d2w s PRO 65 CO 0.10 -0.83 1.31 -2.13 0.04 0.00 0.00 177.00 175.49 2d2w n ARG 66 N -2.67 1.01 0.09 4.56 0.63 -1.26 -4.89 116.66 114.13 2d2w n ARG 66 Ca 0.07 -1.49 -0.23 0.00 -0.92 0.00 0.00 57.85 55.29 2d2w n ARG 66 Cb 0.54 0.03 -0.15 0.00 0.45 0.00 0.00 32.46 33.33 2d2w n ARG 66 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2d2w h SER 67 N 1.66 0.64 0.00 6.15 4.64 -2.04 -3.47 113.55 121.12 2d2w h SER 67 Ca -0.35 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.05 2d2w h SER 67 Cb 1.28 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2d2w h SER 67 CO -0.11 1.60 0.00 0.00 -0.87 0.00 0.00 176.83 177.45 2d2w n GLN 68 N -3.87 0.00 -0.80 4.77 6.02 -1.26 -5.14 117.38 117.09 2d2w n GLN 68 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2d2w n GLN 68 Cb 0.98 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.24 2d2w n GLN 68 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2d2w n GLU 69 N -2.16 1.20 -4.17 -1.09 -0.58 -1.26 -5.14 120.64 107.45 2d2w n GLU 69 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2d2w n GLU 69 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2d2w s GLU 70 N -1.39 0.85 0.35 3.49 2.02 -1.26 -4.64 118.70 118.12 2d2w s GLU 70 Ca 0.00 -1.36 0.19 0.00 0.02 0.00 0.00 54.97 53.82 2d2w s GLU 70 Cb 0.00 -0.11 0.31 0.00 0.10 0.00 0.00 34.13 34.43 2d2w s GLU 70 CO 0.00 -0.07 1.56 -1.00 0.02 0.00 0.00 175.26 175.77 2d2w h PRO 71 N 2.94 0.00 0.00 0.39 0.13 -1.95 -3.48 132.00 130.03 2d2w h PRO 71 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2d2w h PRO 71 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2d2w h PRO 71 CO 0.64 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2d2w n GLY 72 N 0.99 1.58 2.25 1.56 0.00 -1.26 -5.08 105.19 105.23 2d2w n GLY 72 Ca 0.02 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 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 0.87 -3.78 1.61 4.81 -1.26 -5.09 118.16 115.32 2d2w n LYS 73 Ca 0.00 -3.40 -0.09 0.00 -0.87 0.00 0.00 58.31 53.95 2d2w n LYS 73 Cb 0.00 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2d2w s GLY 74 N -1.18 -0.09 -0.39 3.14 0.00 -1.26 -5.12 107.32 102.41 2d2w s GLY 74 Ca 0.35 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.87 2d2w s GLY 74 CO -0.11 -0.17 0.34 -0.56 0.00 0.00 0.00 173.10 172.60 2d2w s SER 75 N -2.89 1.56 0.00 1.64 0.01 -1.26 -5.01 113.70 107.75 2d2w s SER 75 Ca 0.10 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 54.96 2d2w s SER 75 Cb -0.03 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2d2w s SER 75 CO 0.01 -0.22 0.00 2.22 0.41 0.00 0.00 173.24 175.67 2d2w n PHE 76 N 3.47 0.00 -4.43 2.43 1.16 -1.26 -4.91 117.46 113.92 2d2w n PHE 76 Ca 0.20 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.55 2d2w n PHE 76 Cb 0.45 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 2d2w n PHE 76 CO 0.00 0.00 0.00 -2.67 -1.87 0.00 0.00 176.76 172.22 2d2w n TRP 77 N 0.00 -0.17 -2.10 2.97 4.27 -1.17 0.25 117.44 121.50 2d2w n TRP 77 Ca 0.00 -2.67 0.00 0.00 -3.89 0.00 0.00 57.50 50.94 2d2w n TRP 77 Cb 0.00 0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.04 2d2w n TRP 77 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 2d2w n ARG 78 N -0.82 0.00 -3.73 -2.67 1.85 -0.42 -1.54 116.66 109.33 2d2w n ARG 78 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.63 2d2w n ARG 78 Cb 0.61 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.99 2d2w n ARG 78 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2d2w s ILE 79 N -2.99 3.68 0.80 8.89 2.07 -1.16 -1.45 121.20 131.04 2d2w s ILE 79 Ca 0.00 -1.27 -0.12 0.00 -1.41 0.00 0.00 60.65 57.85 2d2w s ILE 79 Cb 0.00 -3.25 0.08 0.00 0.13 0.00 0.00 42.46 39.42 2d2w s ILE 79 CO 0.00 -0.17 1.13 -1.81 -1.91 0.00 0.00 174.94 172.18 2d2w s ASP 80 N -4.04 4.02 -0.09 4.50 1.11 0.73 -4.76 116.67 118.14 2d2w s ASP 80 Ca 0.42 2.05 -0.09 0.00 0.18 0.00 0.00 52.55 55.11 2d2w s ASP 80 Cb -0.07 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.31 2d2w s ASP 80 CO 0.28 -2.37 0.29 1.55 1.18 0.00 0.00 175.17 176.10 2d2w h PRO 81 N -1.10 -0.09 -0.81 8.23 0.13 -1.98 -3.27 132.00 133.10 2d2w h PRO 81 Ca -0.44 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 2d2w h PRO 81 Cb 1.25 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2d2w h PRO 81 CO 0.48 0.13 0.06 0.00 -0.23 0.00 0.00 178.00 178.44 2d2w n ALA 82 N -2.73 3.42 -0.01 -0.56 0.00 -1.26 -3.61 120.51 115.76 2d2w n ALA 82 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2d2w n ALA 82 Cb 0.13 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.22 0.21 0.00 0.00 7.64 -1.25 -4.60 113.62 115.84 2d2w n SER 83 Ca 0.18 -0.60 0.07 0.00 1.01 0.00 0.00 58.87 59.54 2d2w n SER 83 Cb 0.83 0.76 0.41 0.00 -1.01 0.00 0.00 64.21 65.20 2d2w n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2d2w n GLU 84 N -0.76 0.37 -0.03 1.43 2.13 -1.23 -1.03 120.64 121.53 2d2w n GLU 84 Ca 0.00 0.06 -0.16 0.00 0.66 0.00 0.00 57.16 57.72 2d2w n GLU 84 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 2d2w n GLU 84 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d2w n ALA 85 N -1.11 1.20 -0.04 4.31 0.00 -1.26 -3.75 120.51 119.86 2d2w n ALA 85 Ca 0.10 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2d2w n ALA 85 Cb 0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 2d2w n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2d2w n LYS 86 N -3.25 0.68 0.10 0.00 0.00 -0.99 -3.78 118.16 110.92 2d2w n LYS 86 Ca -0.28 0.21 0.12 0.00 0.00 0.00 0.00 58.31 58.35 2d2w n LYS 86 Cb 1.05 -1.68 0.45 0.00 0.00 0.00 0.00 35.03 34.85 2d2w n LYS 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2d2w n LEU 87 N -3.14 0.57 -0.00 3.14 -0.00 -0.20 -2.57 117.00 114.80 2d2w n LEU 87 Ca -0.28 0.61 -0.08 0.00 -0.00 0.00 0.00 56.01 56.26 2d2w n LEU 87 Cb 1.06 -0.50 -0.14 0.00 -0.00 0.00 0.00 43.42 43.85 2d2w n LEU 87 CO 0.42 -0.39 -0.36 -0.37 -0.00 0.00 0.00 177.39 176.69 2d2w h VAL 88 N 0.00 1.06 -0.56 1.47 -1.51 -1.70 -3.19 116.25 111.82 2d2w h VAL 88 Ca 0.00 -2.88 0.15 0.00 -1.23 0.00 0.00 66.70 62.74 2d2w h VAL 88 Cb 0.45 2.53 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 2d2w h VAL 88 CO 0.00 0.61 0.40 -0.33 -1.23 0.00 0.00 177.57 177.02 2d2w h GLU 89 N 0.00 0.07 0.00 5.19 3.07 -1.59 0.44 114.58 121.76 2d2w h GLU 89 Ca -0.22 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.53 2d2w h GLU 89 Cb 1.95 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.83 2d2w h GLU 89 CO 0.09 0.05 -1.20 0.37 -1.40 0.00 0.00 179.01 176.92 2d2w h GLN 90 N 0.07 0.00 0.05 2.33 5.75 -1.70 -3.37 115.11 118.24 2d2w h GLN 90 Ca 0.27 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 2d2w h GLN 90 Cb 0.97 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 2d2w h GLN 90 CO -0.02 0.19 -0.29 0.00 -2.65 0.00 0.00 178.83 176.07 2d2w h ALA 91 N 1.64 -0.43 -0.41 3.38 0.00 -0.10 -2.01 119.26 121.32 2d2w h ALA 91 Ca -0.10 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.34 2d2w h ALA 91 Cb 1.36 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 2d2w h ALA 91 CO 0.03 -0.80 0.49 1.19 0.00 0.00 0.00 179.25 180.16 2d2w n PHE 92 N -5.39 1.35 -4.06 0.00 3.72 -1.08 -4.87 117.46 107.12 2d2w n PHE 92 Ca -0.06 -1.95 -0.13 0.00 -0.05 0.00 0.00 57.45 55.26 2d2w n PHE 92 Cb 0.31 -1.50 -0.12 0.00 -0.94 0.00 0.00 39.48 37.22 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 -0.95 0.42 0.41 -1.08 3.52 -0.76 -5.07 118.95 115.45 2d2w s ARG 93 Ca 0.61 -0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.56 2d2w s ARG 93 Cb 0.35 -0.25 -0.08 0.00 -1.56 0.00 0.00 34.95 33.41 2d2w s ARG 93 CO -0.16 0.05 0.83 0.15 -0.81 0.00 0.00 175.30 175.36 2d2w s LYS 94 N -1.00 3.92 -0.62 5.12 1.02 -1.26 -5.00 119.74 121.93 2d2w s LYS 94 Ca -0.06 0.70 -0.25 0.00 0.02 0.00 0.00 55.97 56.38 2d2w s LYS 94 Cb -0.07 -2.32 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2d2w s LYS 94 CO 0.00 -0.04 1.03 0.50 -0.92 0.00 0.00 175.35 175.93 2d2w s ARG 95 N -3.60 3.26 0.30 1.68 6.06 -1.26 -4.95 118.95 120.45 2d2w s ARG 95 Ca 0.55 -0.37 -0.19 0.00 -2.50 0.00 0.00 55.73 53.22 2d2w s ARG 95 Cb -0.10 -4.12 0.06 0.00 0.06 0.00 0.00 34.95 30.85 2d2w s ARG 95 CO 0.26 -1.71 0.87 -0.98 -2.50 0.00 0.00 175.30 171.23 2d2w s ARG 96 N 4.39 1.86 0.00 5.12 1.04 -1.26 -5.10 118.95 125.01 2d2w s ARG 96 Ca 0.30 -1.18 0.00 0.00 -1.04 0.00 0.00 55.73 53.82 2d2w s ARG 96 Cb -0.12 0.54 0.00 0.00 -2.04 0.00 0.00 34.95 33.32 2d2w s ARG 96 CO 0.17 -0.87 0.00 0.94 -0.04 0.00 0.00 175.30 175.50 2d2w n GLN 97 N -0.57 0.00 -0.75 3.89 -0.06 -1.26 -5.04 117.38 113.59 2d2w n GLN 97 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.93 2d2w n GLN 97 Cb 0.60 -0.02 -0.00 0.00 -4.06 0.00 0.00 30.24 26.75 2d2w n GLN 97 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2d2w n ARG 98 N -2.11 0.03 -0.00 3.69 5.12 -1.26 -4.98 116.66 117.14 2d2w n ARG 98 Ca 0.00 -0.11 0.03 0.00 -1.93 0.00 0.00 57.85 55.84 2d2w n ARG 98 Cb 0.00 0.42 -0.04 0.00 -1.16 0.00 0.00 32.46 31.68 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d2w n GLY 99 N -0.03 -0.10 2.70 -0.13 0.00 -1.26 -4.91 105.19 101.45 2d2w n GLY 99 Ca -0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 2d2w n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d2w s VAL 100 N -2.21 0.60 -2.00 1.61 -7.23 -1.26 -5.28 120.40 104.62 2d2w s VAL 100 Ca -0.01 -1.06 0.13 0.00 -1.81 0.00 0.00 61.98 59.23 2d2w s VAL 100 Cb 0.04 -1.37 0.36 0.00 0.56 0.00 0.00 36.38 35.97 2d2w s VAL 100 CO 0.24 -0.57 1.19 -0.24 -0.31 0.00 0.00 175.10 175.41