#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w n SER 2 N 0.00 -5.72 -4.73 1.62 2.88 -1.26 -4.83 113.62 101.58 2d2w n SER 2 Ca 0.00 0.09 -0.41 0.00 -1.33 0.00 0.00 58.87 57.22 2d2w n SER 2 Cb 0.00 -4.82 -0.04 0.00 -0.75 0.00 0.00 64.21 58.60 2d2w n SER 2 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2d2w s LYS 3 N -4.81 4.69 0.41 -1.46 -2.85 -1.26 -4.26 119.74 110.21 2d2w s LYS 3 Ca 0.00 1.46 -0.21 0.00 -1.00 0.00 0.00 55.97 56.21 2d2w s LYS 3 Cb 0.00 -3.38 -0.11 0.00 -2.06 0.00 0.00 37.83 32.29 2d2w s LYS 3 CO 0.00 0.21 0.94 -1.25 0.10 0.00 0.00 175.35 175.35 2d2w s PRO 4 N 0.01 4.26 0.21 1.78 0.04 -1.26 -4.75 135.00 135.30 2d2w s PRO 4 Ca 0.47 1.13 0.10 0.00 0.04 0.00 0.00 61.00 62.74 2d2w s PRO 4 Cb -0.23 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.12 2d2w s PRO 4 CO 0.30 0.01 1.44 -1.00 0.04 0.00 0.00 177.00 177.79 2d2w h PRO 5 N 2.07 0.00 -6.30 0.56 0.13 -1.98 -3.45 132.00 123.03 2d2w h PRO 5 Ca -0.49 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 2d2w h PRO 5 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2d2w h PRO 5 CO 0.62 0.76 -0.30 0.71 -0.23 0.00 0.00 178.00 179.56 2d2w s TYR 6 N -3.08 2.50 0.58 1.56 2.02 -1.26 -4.93 117.35 114.73 2d2w s TYR 6 Ca 0.01 -0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 2d2w s TYR 6 Cb 0.10 -2.23 0.13 0.00 -0.40 0.00 0.00 41.96 39.56 2d2w s TYR 6 CO 0.78 -0.38 0.29 0.43 -1.57 0.00 0.00 175.55 175.10 2d2w n SER 7 N -1.76 -2.38 -1.56 2.29 7.64 -1.26 -4.75 113.62 111.84 2d2w n SER 7 Ca 0.06 -0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 2d2w n SER 7 Cb 0.61 -0.42 0.13 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.77 1.52 -0.02 1.43 4.01 -1.26 -3.55 117.16 115.53 2d2w n TYR 8 Ca 0.05 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 2d2w n TYR 8 Cb 0.20 -0.55 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 -0.21 0.38 0.08 -0.72 0.00 -1.26 -4.74 120.51 114.05 2d2w n ALA 9 Ca 0.28 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.75 2d2w n ALA 9 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 2d2w n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d2w h GLN 10 N 0.00 0.00 0.00 0.00 4.20 -1.87 -1.85 115.11 115.58 2d2w h GLN 10 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2d2w h GLN 10 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2d2w h GLN 10 CO 0.00 0.30 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.10 2d2w h LEU 11 N 0.00 0.00 0.00 1.46 -0.00 -1.86 -2.31 115.31 112.60 2d2w h LEU 11 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.77 2d2w h LEU 11 Cb 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.07 2d2w h LEU 11 CO 0.04 0.29 -0.44 0.40 -0.00 0.00 0.00 178.44 178.73 2d2w h ILE 12 N 0.00 0.20 -0.76 1.22 1.08 -1.84 -2.44 117.51 114.97 2d2w h ILE 12 Ca -0.00 -1.21 0.14 0.00 -0.39 0.00 0.00 64.86 63.40 2d2w h ILE 12 Cb 0.91 0.44 -0.10 0.00 -3.07 0.00 0.00 36.82 35.01 2d2w h ILE 12 CO 0.04 0.07 0.31 0.58 -0.69 0.00 0.00 178.15 178.46 2d2w h VAL 13 N -1.00 0.66 0.00 1.67 2.07 -1.41 0.67 116.25 118.91 2d2w h VAL 13 Ca -0.04 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2d2w h VAL 13 Cb 0.49 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2d2w h VAL 13 CO -0.03 0.08 -0.37 -0.61 0.02 0.00 0.00 177.57 176.67 2d2w h GLN 14 N 0.45 0.00 0.12 1.57 4.15 -1.58 0.80 115.11 120.62 2d2w h GLN 14 Ca 0.42 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.83 2d2w h GLN 14 Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2d2w h GLN 14 CO -0.40 0.37 -0.06 0.00 -1.93 0.00 0.00 178.83 176.81 2d2w h ALA 15 N 1.63 -0.16 0.15 3.38 0.00 0.71 -3.00 119.26 121.97 2d2w h ALA 15 Ca -0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 2d2w h ALA 15 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2d2w h ALA 15 CO 0.05 -0.34 -1.63 -0.84 0.00 0.00 0.00 179.25 176.49 2d2w h ILE 16 N -0.66 0.94 -0.72 0.00 3.07 -0.73 -3.14 117.51 116.27 2d2w h ILE 16 Ca -0.02 -2.44 0.10 0.00 1.55 0.00 0.00 64.86 64.05 2d2w h ILE 16 Cb 0.51 2.71 -0.07 0.00 -0.27 0.00 0.00 36.82 39.70 2d2w h ILE 16 CO 0.03 0.79 0.36 -1.28 -1.05 0.00 0.00 178.15 177.00 2d2w h SER 17 N -0.08 0.46 1.44 2.16 0.87 -0.99 0.12 113.55 117.51 2d2w h SER 17 Ca -0.34 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2d2w h SER 17 Cb 1.94 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 2d2w h SER 17 CO 0.11 0.25 0.00 0.28 -0.53 0.00 0.00 176.83 176.95 2d2w h SER 18 N 0.60 0.00 -2.14 6.23 0.02 -1.67 -3.44 113.55 113.15 2d2w h SER 18 Ca 0.36 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.09 2d2w h SER 18 Cb 0.39 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.06 2d2w h SER 18 CO -0.28 0.00 -0.11 0.00 -1.14 0.00 0.00 176.83 175.30 2d2w n ALA 19 N -1.86 -3.13 -1.00 3.77 0.00 0.41 -4.92 120.51 113.78 2d2w n ALA 19 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2d2w n ALA 19 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2d2w n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d2w n GLN 20 N -4.27 0.00 0.00 0.00 1.13 -1.26 -4.54 117.38 108.44 2d2w n GLN 20 Ca 0.08 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2d2w n GLN 20 Cb 0.36 -0.83 0.00 0.00 0.11 0.00 0.00 30.24 29.87 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2d2w n ASP 21 N -0.53 0.00 0.00 1.08 -0.08 -1.26 -4.98 116.55 110.78 2d2w n ASP 21 Ca 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2d2w n ASP 21 Cb 0.00 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 42.98 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2d2w n ARG 22 N -2.20 0.00 -4.11 -0.67 1.85 -1.25 -4.79 116.66 105.48 2d2w n ARG 22 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 2d2w n ARG 22 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 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 0.46 0.03 2.89 -2.07 -1.26 -2.98 119.66 116.74 2d2w s GLN 23 Ca 0.00 -0.43 0.01 0.00 -1.82 0.00 0.00 55.36 53.12 2d2w s GLN 23 Cb 0.00 -0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 31.55 2d2w s GLN 23 CO 0.00 0.08 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.50 2d2w s LEU 24 N -0.75 2.29 0.00 2.60 1.43 -0.30 -4.79 118.68 119.16 2d2w s LEU 24 Ca -0.03 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 2d2w s LEU 24 Cb -0.05 0.03 0.19 0.00 0.03 0.00 0.00 46.19 46.39 2d2w s LEU 24 CO 0.00 -0.32 1.13 0.35 0.23 0.00 0.00 176.35 177.74 2d2w n THR 25 N 1.26 0.00 -0.18 5.49 -2.24 -1.26 -2.27 114.28 115.09 2d2w n THR 25 Ca -0.22 -0.82 -0.02 0.00 -2.27 0.00 0.00 64.05 60.72 2d2w n THR 25 Cb 0.56 -1.58 0.20 0.00 -2.10 0.00 0.00 70.33 67.42 2d2w n THR 25 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2d2w h LEU 26 N 0.00 0.83 -3.85 3.22 6.46 -1.92 -1.57 115.31 118.48 2d2w h LEU 26 Ca -0.37 -0.10 -0.39 0.00 -0.12 0.00 0.00 57.88 56.91 2d2w h LEU 26 Cb 1.01 -0.21 -0.23 0.00 -0.73 0.00 0.00 40.66 40.49 2d2w h LEU 26 CO 0.26 0.72 0.49 -0.24 -0.62 0.00 0.00 178.44 179.05 2d2w n SER 27 N -4.33 4.19 -0.14 1.25 2.88 -1.26 -4.32 113.62 111.89 2d2w n SER 27 Ca 0.06 -3.42 -0.27 0.00 -1.33 0.00 0.00 58.87 53.91 2d2w n SER 27 Cb 0.15 -0.80 -0.11 0.00 -0.75 0.00 0.00 64.21 62.70 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 -0.71 -0.43 0.37 0.46 0.00 -0.59 -3.94 105.19 100.36 2d2w n GLY 28 Ca 0.51 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.73 0.61 0.09 -0.61 2.10 -1.75 -0.24 117.51 116.98 2d2w h ILE 29 Ca -0.68 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 2d2w h ILE 29 Cb 1.69 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2d2w h ILE 29 CO -0.34 0.00 -0.04 1.88 -1.08 0.00 0.00 178.15 178.57 2d2w h TYR 30 N 0.00 -0.12 0.00 2.19 0.05 -1.80 -3.07 116.97 114.22 2d2w h TYR 30 Ca 0.21 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2d2w h TYR 30 Cb 0.93 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2d2w h TYR 30 CO 0.00 -0.07 0.11 0.00 -1.05 0.00 0.00 178.16 177.15 2d2w h ALA 31 N -1.65 1.08 -3.00 3.88 0.00 -1.63 -1.57 119.26 116.37 2d2w h ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d2w h ALA 31 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2d2w h ALA 31 CO 0.02 -0.08 0.00 1.58 0.00 0.00 0.00 179.25 180.78 2d2w n HIS 32 N -2.26 0.00 0.29 0.00 -0.00 -0.12 -4.06 115.22 109.07 2d2w n HIS 32 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 2d2w n HIS 32 Cb 0.14 0.00 0.88 0.00 -0.00 0.00 0.00 29.99 31.01 2d2w n HIS 32 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2d2w h ILE 33 N 0.00 0.59 -0.44 3.57 -0.00 -1.58 -1.89 117.51 117.76 2d2w h ILE 33 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 64.86 64.96 2d2w h ILE 33 Cb 0.00 1.01 -0.02 0.00 -0.00 0.00 0.00 36.82 37.81 2d2w h ILE 33 CO 0.00 0.00 0.31 0.71 -0.00 0.00 0.00 178.15 179.18 2d2w h THR 34 N 0.00 0.81 0.00 0.16 1.35 -1.41 1.14 112.91 114.96 2d2w h THR 34 Ca -0.00 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.74 2d2w h THR 34 Cb 0.01 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 2d2w h THR 34 CO 0.00 0.01 -0.97 0.50 -0.25 0.00 0.00 175.52 174.81 2d2w h LYS 35 N 0.07 0.00 -0.46 4.72 3.11 -1.48 -3.32 116.57 119.21 2d2w h LYS 35 Ca 0.21 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 2d2w h LYS 35 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 2d2w h LYS 35 CO -0.02 0.24 0.00 0.72 -2.81 0.00 0.00 179.45 177.58 2d2w n HIS 36 N -2.93 0.61 -4.25 1.91 -0.00 0.41 -4.98 115.22 105.98 2d2w n HIS 36 Ca -0.03 -0.47 -0.26 0.00 -0.00 0.00 0.00 57.72 56.96 2d2w n HIS 36 Cb 0.71 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.60 2d2w n HIS 36 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2d2w s TYR 37 N -1.02 2.73 -0.07 4.41 1.51 0.37 -5.02 117.35 120.27 2d2w s TYR 37 Ca 0.32 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2d2w s TYR 37 Cb 0.17 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 2d2w s TYR 37 CO 0.22 0.53 0.16 -1.00 -1.11 0.00 0.00 175.55 174.35 2d2w h PRO 38 N 2.70 -0.12 0.01 -1.71 0.13 -1.89 -3.40 132.00 127.71 2d2w h PRO 38 Ca -0.47 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2d2w h PRO 38 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d2w h PRO 38 CO 0.57 -0.08 -0.09 -0.92 -0.23 0.00 0.00 178.00 177.25 2d2w h TYR 39 N -0.83 0.08 -2.08 1.56 3.20 -1.96 -3.41 116.97 113.53 2d2w h TYR 39 Ca -0.01 -0.05 -0.51 0.00 3.14 0.00 0.00 58.73 61.30 2d2w h TYR 39 Cb 0.09 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2d2w h TYR 39 CO 0.01 0.90 1.31 0.71 -1.64 0.00 0.00 178.16 179.44 2d2w s TYR 40 N -2.82 1.76 0.00 -3.82 1.51 -1.26 -4.55 117.35 108.17 2d2w s TYR 40 Ca -0.17 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 2d2w s TYR 40 Cb -0.01 -4.17 0.00 0.00 -0.11 0.00 0.00 41.96 37.67 2d2w s TYR 40 CO 0.70 -2.29 0.00 0.54 -1.11 0.00 0.00 175.55 173.39 2d2w n ARG 41 N 9.16 0.00 -0.04 -0.62 1.74 -1.25 -3.98 116.66 121.68 2d2w n ARG 41 Ca 0.18 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.25 2d2w n ARG 41 Cb 0.51 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.81 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2d2w n THR 42 N -2.33 0.94 -0.48 0.55 -2.24 -1.26 -4.76 114.28 104.70 2d2w n THR 42 Ca 0.00 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.79 2d2w n THR 42 Cb 0.00 -0.42 0.26 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.91 -0.71 0.00 6.98 0.00 -1.26 -4.91 121.76 118.95 2d2w s ALA 43 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2d2w s ALA 43 Cb 0.09 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2d2w s ALA 43 CO 0.85 -4.01 0.00 -0.40 0.00 0.00 0.00 175.76 172.20 2d2w n ASP 44 N -5.03 0.00 -4.58 0.00 5.75 -1.26 -5.03 116.55 106.40 2d2w n ASP 44 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.45 2d2w n ASP 44 Cb 0.54 0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 2d2w n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2d2w s LYS 45 N -1.82 3.23 0.00 0.11 2.20 -1.26 -3.32 119.74 118.89 2d2w s LYS 45 Ca 0.00 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.14 2d2w s LYS 45 Cb 0.00 -5.37 0.00 0.00 -1.51 0.00 0.00 37.83 30.95 2d2w s LYS 45 CO 0.00 -3.06 0.00 0.41 -0.36 0.00 0.00 175.35 172.34 2d2w n GLY 46 N 5.78 -0.04 0.05 5.54 0.00 -1.26 -4.88 105.19 110.38 2d2w n GLY 46 Ca 0.45 -0.01 -0.04 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 0.00 0.00 -0.05 1.61 4.27 -1.23 -4.43 117.44 117.62 2d2w n TRP 47 Ca 0.00 0.00 0.24 0.00 -3.89 0.00 0.00 57.50 53.85 2d2w n TRP 47 Cb 0.00 -0.55 0.72 0.00 -1.36 0.00 0.00 31.31 30.12 2d2w n TRP 47 CO 0.00 0.00 0.00 -0.56 -2.29 0.00 0.00 177.69 174.84 2d2w h GLN 48 N 0.00 0.00 0.01 -2.67 -0.00 -1.93 0.11 115.11 110.63 2d2w h GLN 48 Ca -0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2d2w h GLN 48 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.06 2d2w h GLN 48 CO 0.02 0.00 -0.01 -2.95 -0.00 0.00 0.00 178.83 175.89 2d2w h ASN 49 N 0.00 -0.01 0.32 0.06 -1.07 -1.86 -2.83 115.58 110.19 2d2w h ASN 49 Ca 0.32 -0.75 0.00 0.00 0.07 0.00 0.00 56.30 55.94 2d2w h ASN 49 Cb 1.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.72 2d2w h ASN 49 CO -0.00 0.76 0.00 0.28 0.07 0.00 0.00 177.43 178.54 2d2w h SER 50 N -0.81 0.00 0.14 6.14 0.02 -1.36 -2.73 113.55 114.94 2d2w h SER 50 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2d2w h SER 50 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2d2w h SER 50 CO 0.00 0.00 -0.07 0.40 -1.14 0.00 0.00 176.83 176.03 2d2w h ILE 51 N 0.00 0.00 -0.94 3.27 1.08 -0.76 0.44 117.51 120.60 2d2w h ILE 51 Ca 0.00 -0.70 0.21 0.00 -0.39 0.00 0.00 64.86 63.98 2d2w h ILE 51 Cb 0.16 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.79 2d2w h ILE 51 CO 0.00 0.00 0.51 -0.09 -0.69 0.00 0.00 178.15 177.88 2d2w h ARG 52 N -0.89 0.54 0.00 2.37 2.43 -1.35 0.55 114.38 118.02 2d2w h ARG 52 Ca -0.02 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2d2w h ARG 52 Cb 0.14 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2d2w h ARG 52 CO 0.03 0.35 -0.59 1.25 -1.51 0.00 0.00 179.97 179.51 2d2w h HIS 53 N 0.55 0.00 -0.27 2.20 2.76 -1.55 -3.30 115.15 115.54 2d2w h HIS 53 Ca 0.58 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.61 2d2w h HIS 53 Cb 1.04 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 2d2w h HIS 53 CO -0.06 0.59 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.88 2d2w h ASN 54 N 0.00 0.79 0.00 3.26 2.35 0.48 -2.76 115.58 119.71 2d2w h ASN 54 Ca -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2d2w h ASN 54 Cb 1.25 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2d2w h ASN 54 CO 0.08 1.14 0.04 -0.07 -1.65 0.00 0.00 177.43 176.96 2d2w h LEU 55 N 0.47 0.00 0.01 1.61 -0.00 -1.37 0.59 115.31 116.63 2d2w h LEU 55 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.61 2d2w h LEU 55 Cb 0.95 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.56 2d2w h LEU 55 CO 0.09 0.00 -1.76 -0.24 -0.00 0.00 0.00 178.44 176.52 2d2w n SER 56 N -2.44 0.96 -0.05 -0.43 2.88 -1.06 -4.06 113.62 109.42 2d2w n SER 56 Ca -0.02 0.38 -0.03 0.00 -1.33 0.00 0.00 58.87 57.87 2d2w n SER 56 Cb 0.08 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 2d2w n SER 56 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2d2w h LEU 57 N 0.01 -0.00 -9.09 2.46 3.38 -0.73 -3.46 115.31 107.88 2d2w h LEU 57 Ca -0.31 -0.23 -0.62 0.00 0.09 0.00 0.00 57.88 56.81 2d2w h LEU 57 Cb 2.02 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.93 2d2w h LEU 57 CO 0.08 0.61 -0.78 0.59 0.09 0.00 0.00 178.44 179.03 2d2w n ASN 58 N -4.74 -2.24 -0.73 -0.43 5.03 -0.49 -4.82 115.26 106.83 2d2w n ASN 58 Ca -0.02 0.86 0.07 0.00 0.87 0.00 0.00 54.58 56.35 2d2w n ASN 58 Cb 0.11 -0.95 0.19 0.00 -1.02 0.00 0.00 39.78 38.11 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 1.11 1.92 0.00 3.52 1.85 -1.26 -3.98 116.66 119.82 2d2w n ARG 59 Ca 0.12 -1.43 0.00 0.00 -1.00 0.00 0.00 57.85 55.54 2d2w n ARG 59 Cb 0.39 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 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 0.66 0.00 -2.92 2.89 4.11 -1.26 -5.03 117.16 115.61 2d2w n TYR 60 Ca 0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.64 2d2w n TYR 60 Cb 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.62 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 -1.70 3.92 0.35 -3.48 0.08 -1.26 -0.88 117.98 115.02 2d2w s PHE 61 Ca 0.00 1.70 -0.01 0.00 0.12 0.00 0.00 56.93 58.74 2d2w s PHE 61 Cb 0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 2d2w s PHE 61 CO 0.00 0.49 0.47 0.44 -0.10 0.00 0.00 175.22 176.52 2d2w n ILE 62 N 1.61 0.00 -4.30 0.64 -5.35 -0.62 -4.67 119.36 106.66 2d2w n ILE 62 Ca -0.05 -1.83 -0.28 0.00 -0.27 0.00 0.00 62.75 60.32 2d2w n ILE 62 Cb 0.48 1.10 -0.10 0.00 -1.74 0.00 0.00 39.64 39.38 2d2w n ILE 62 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2d2w s LYS 63 N -2.84 1.89 0.13 6.28 -2.85 -1.26 -1.69 119.74 119.39 2d2w s LYS 63 Ca 0.30 -1.24 -0.31 0.00 -1.00 0.00 0.00 55.97 53.72 2d2w s LYS 63 Cb -0.01 -2.12 -0.08 0.00 -2.06 0.00 0.00 37.83 33.56 2d2w s LYS 63 CO 0.21 0.45 1.41 0.54 0.10 0.00 0.00 175.35 178.07 2d2w s VAL 64 N -1.43 3.19 0.00 1.79 0.11 -1.16 -4.86 120.40 118.04 2d2w s VAL 64 Ca 0.21 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2d2w s VAL 64 Cb -0.10 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 2d2w s VAL 64 CO 0.12 0.07 0.00 -0.81 -3.33 0.00 0.00 175.10 171.16 2d2w n PRO 65 N 3.85 1.10 -1.66 1.54 -0.04 -1.26 -4.80 135.00 133.74 2d2w n PRO 65 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2d2w n PRO 65 Cb 0.42 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.00 1.68 -0.43 0.54 3.52 -1.26 -4.71 118.95 118.29 2d2w s ARG 66 Ca 0.00 0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.85 2d2w s ARG 66 Cb 0.00 -4.87 0.21 0.00 -1.56 0.00 0.00 34.95 28.74 2d2w s ARG 66 CO 0.00 -4.46 0.55 0.43 -0.81 0.00 0.00 175.30 171.01 2d2w n SER 67 N 18.10 -1.08 -3.88 -2.12 7.64 -1.26 -5.02 113.62 126.00 2d2w n SER 67 Ca 0.45 -2.72 -0.42 0.00 1.01 0.00 0.00 58.87 57.19 2d2w n SER 67 Cb 0.44 0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 2d2w n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w n GLN 68 N 2.15 4.74 0.03 1.43 3.00 -1.26 -4.69 117.38 122.78 2d2w n GLN 68 Ca 0.22 -4.60 -0.16 0.00 -0.01 0.00 0.00 57.00 52.46 2d2w n GLN 68 Cb 0.53 -2.49 -0.14 0.00 0.00 0.00 0.00 30.24 28.14 2d2w n GLN 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2d2w h GLU 69 N 5.03 0.19 -6.82 -1.09 5.08 -1.99 -3.47 114.58 111.52 2d2w h GLU 69 Ca 0.30 -0.33 -0.48 0.00 -1.00 0.00 0.00 59.36 57.86 2d2w h GLU 69 Cb 0.53 0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.93 2d2w h GLU 69 CO 1.28 1.00 0.01 -1.21 -1.00 0.00 0.00 179.01 179.08 2d2w s GLU 70 N -2.61 3.30 -0.71 2.33 2.02 -1.26 -5.00 118.70 116.78 2d2w s GLU 70 Ca -0.10 -0.12 -0.27 0.00 0.02 0.00 0.00 54.97 54.50 2d2w s GLU 70 Cb 0.07 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.85 2d2w s GLU 70 CO 0.83 -0.23 1.43 -1.25 0.02 0.00 0.00 175.26 176.06 2d2w s PRO 71 N -4.65 3.04 -0.23 0.39 0.04 -1.26 -4.95 135.00 127.39 2d2w s PRO 71 Ca 0.47 -0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 2d2w s PRO 71 Cb -0.10 -4.24 0.06 0.00 0.04 0.00 0.00 34.50 30.26 2d2w s PRO 71 CO 0.41 -2.31 0.58 0.20 0.04 0.00 0.00 177.00 175.93 2d2w s GLY 72 N 4.89 -0.47 -0.70 0.56 0.00 -1.26 -5.10 107.32 105.24 2d2w s GLY 72 Ca 0.44 1.84 0.05 0.00 0.00 0.00 0.00 44.72 47.04 2d2w s GLY 72 CO 0.16 1.74 0.49 0.54 0.00 0.00 0.00 173.10 176.04 2d2w s LYS 73 N 0.87 2.48 0.00 2.90 1.02 -1.26 -4.99 119.74 120.76 2d2w s LYS 73 Ca -0.04 -3.30 0.00 0.00 0.02 0.00 0.00 55.97 52.64 2d2w s LYS 73 Cb -0.05 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2d2w s LYS 73 CO -0.07 -1.27 0.00 0.41 -0.92 0.00 0.00 175.35 173.49 2d2w n GLY 74 N 2.06 0.74 3.22 -3.33 0.00 -1.26 -5.17 105.19 101.45 2d2w n GLY 74 Ca 0.19 0.26 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 2d2w n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d2w s SER 75 N 2.00 1.68 -0.25 1.61 0.01 -1.26 -5.14 113.70 112.35 2d2w s SER 75 Ca 0.00 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 2d2w s SER 75 Cb 0.00 -0.01 0.13 0.00 0.21 0.00 0.00 66.02 66.35 2d2w s SER 75 CO 0.00 -0.28 0.45 0.12 0.41 0.00 0.00 173.24 173.94 2d2w s PHE 76 N -2.82 -1.01 0.33 2.43 2.19 -1.26 -4.70 117.98 113.15 2d2w s PHE 76 Ca 0.11 1.30 0.07 0.00 0.33 0.00 0.00 56.93 58.74 2d2w s PHE 76 Cb -0.01 0.26 -0.02 0.00 -1.31 0.00 0.00 43.02 41.94 2d2w s PHE 76 CO 0.01 -0.68 0.33 1.67 1.83 0.00 0.00 175.22 178.37 2d2w s TRP 77 N 2.65 2.95 0.22 10.12 1.48 -0.96 -2.98 118.94 132.42 2d2w s TRP 77 Ca 0.09 -0.28 -0.08 0.00 -1.06 0.00 0.00 56.10 54.77 2d2w s TRP 77 Cb -0.14 -1.83 0.03 0.00 -1.16 0.00 0.00 33.47 30.37 2d2w s TRP 77 CO -0.16 0.15 0.42 2.89 -4.06 0.00 0.00 176.95 176.19 2d2w n ARG 78 N -1.43 0.61 -4.03 3.25 1.85 -0.68 -1.15 116.66 115.08 2d2w n ARG 78 Ca -0.02 -1.25 -0.22 0.00 -1.00 0.00 0.00 57.85 55.37 2d2w n ARG 78 Cb 0.59 1.53 -0.04 0.00 -1.05 0.00 0.00 32.46 33.49 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 -2.52 4.19 0.48 8.89 1.10 -1.16 -1.59 121.20 130.59 2d2w s ILE 79 Ca 0.09 -1.40 -0.24 0.00 -0.51 0.00 0.00 60.65 58.59 2d2w s ILE 79 Cb -0.03 -3.34 -0.07 0.00 0.15 0.00 0.00 42.46 39.17 2d2w s ILE 79 CO 0.07 -0.30 1.43 -0.62 -2.11 0.00 0.00 174.94 173.40 2d2w s ASP 80 N -3.89 5.68 0.05 4.50 2.15 -0.06 -4.80 116.67 120.31 2d2w s ASP 80 Ca 0.35 2.92 -0.07 0.00 0.43 0.00 0.00 52.55 56.18 2d2w s ASP 80 Cb -0.07 -2.65 -0.30 0.00 -0.30 0.00 0.00 42.92 39.60 2d2w s ASP 80 CO 0.25 -1.31 1.05 1.55 -0.17 0.00 0.00 175.17 176.55 2d2w h PRO 81 N 2.08 0.32 0.00 4.34 0.13 -1.96 -3.06 132.00 133.87 2d2w h PRO 81 Ca -0.51 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 2d2w h PRO 81 Cb 1.28 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2d2w h PRO 81 CO 0.60 1.25 -0.88 0.00 -0.23 0.00 0.00 178.00 178.74 2d2w n ALA 82 N -2.60 2.80 1.11 -0.56 0.00 -1.26 -3.65 120.51 116.34 2d2w n ALA 82 Ca -0.12 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.18 2d2w n ALA 82 Cb 1.05 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.37 2.46 0.22 0.00 7.64 -1.25 -4.37 113.62 115.96 2d2w n SER 83 Ca 0.01 -1.82 -0.15 0.00 1.01 0.00 0.00 58.87 57.93 2d2w n SER 83 Cb 0.49 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 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 3.74 -0.59 -0.25 1.43 4.81 -1.60 0.35 114.58 122.47 2d2w h GLU 84 Ca 0.00 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2d2w h GLU 84 Cb 0.80 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2d2w h GLU 84 CO 0.00 -0.40 0.61 0.00 -0.73 0.00 0.00 179.01 178.49 2d2w h ALA 85 N -0.04 1.89 0.00 2.92 0.00 -1.83 -1.16 119.26 121.04 2d2w h ALA 85 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2d2w h ALA 85 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2d2w h ALA 85 CO 0.00 -0.74 -0.33 -0.22 0.00 0.00 0.00 179.25 177.96 2d2w h LYS 86 N 0.00 0.00 0.15 0.00 3.64 -1.27 -3.33 116.57 115.76 2d2w h LYS 86 Ca 0.12 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2d2w h LYS 86 Cb 1.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 2d2w h LYS 86 CO -0.00 0.00 -0.51 1.37 -2.27 0.00 0.00 179.45 178.04 2d2w h LEU 87 N -0.97 -1.54 -1.85 5.20 -0.00 -0.48 0.35 115.31 116.03 2d2w h LEU 87 Ca 0.00 0.16 0.49 0.00 -0.00 0.00 0.00 57.88 58.53 2d2w h LEU 87 Cb 0.33 0.56 -0.07 0.00 -0.00 0.00 0.00 40.66 41.49 2d2w h LEU 87 CO 0.00 -0.55 1.29 -0.37 -0.00 0.00 0.00 178.44 178.81 2d2w h VAL 88 N -0.75 0.07 -0.26 0.15 -1.51 -1.45 0.11 116.25 112.60 2d2w h VAL 88 Ca -0.01 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.52 2d2w h VAL 88 Cb 0.75 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.93 2d2w h VAL 88 CO -0.26 0.00 -0.13 -0.08 -1.23 0.00 0.00 177.57 175.87 2d2w h GLU 89 N 0.00 -0.10 -0.00 5.19 4.81 -1.03 0.15 114.58 123.60 2d2w h GLU 89 Ca 0.80 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.03 2d2w h GLU 89 Cb 3.37 0.02 0.00 0.00 0.63 0.00 0.00 28.75 32.77 2d2w h GLU 89 CO -0.01 -0.06 -0.13 0.00 -0.73 0.00 0.00 179.01 178.08 2d2w n GLN 90 N -5.30 0.32 0.23 1.92 10.64 0.33 -3.81 117.38 121.72 2d2w n GLN 90 Ca -0.01 -0.09 -0.12 0.00 -1.83 0.00 0.00 57.00 54.95 2d2w n GLN 90 Cb 0.21 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.03 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2d2w h ALA 91 N 3.29 -1.08 -0.26 2.61 0.00 -0.26 -2.36 119.26 121.20 2d2w h ALA 91 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d2w h ALA 91 Cb 0.42 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2d2w h ALA 91 CO 0.00 -1.07 0.00 1.19 0.00 0.00 0.00 179.25 179.37 2d2w n PHE 92 N -4.37 0.89 -4.07 0.00 3.72 -1.20 -4.75 117.46 107.68 2d2w n PHE 92 Ca -0.09 -0.32 -0.32 0.00 -0.05 0.00 0.00 57.45 56.68 2d2w n PHE 92 Cb 0.31 -0.26 -0.16 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.77 2.48 0.96 -1.08 3.52 -0.89 -5.12 118.95 117.05 2d2w s ARG 93 Ca 0.24 -1.04 -0.16 0.00 -0.13 0.00 0.00 55.73 54.64 2d2w s ARG 93 Cb 0.18 -2.67 0.22 0.00 -1.56 0.00 0.00 34.95 31.12 2d2w s ARG 93 CO 0.08 -0.40 1.30 1.63 -0.81 0.00 0.00 175.30 177.10 2d2w n LYS 94 N 4.56 -1.23 -2.97 5.12 5.02 -1.26 -4.76 118.16 122.64 2d2w n LYS 94 Ca -0.17 -2.07 -0.43 0.00 -2.02 0.00 0.00 58.31 53.62 2d2w n LYS 94 Cb 0.46 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 2d2w n LYS 94 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d2w s ARG 95 N -5.84 3.38 -0.03 1.97 0.52 -1.26 -4.85 118.95 112.84 2d2w s ARG 95 Ca 0.74 -0.16 0.16 0.00 -0.52 0.00 0.00 55.73 55.95 2d2w s ARG 95 Cb -0.02 -3.95 -0.24 0.00 0.52 0.00 0.00 34.95 31.26 2d2w s ARG 95 CO 0.52 -1.14 0.32 0.54 0.02 0.00 0.00 175.30 175.56 2d2w n ARG 96 N 6.71 0.59 -2.18 3.54 5.12 -1.26 -4.94 116.66 124.23 2d2w n ARG 96 Ca 0.02 -0.13 -0.42 0.00 -1.93 0.00 0.00 57.85 55.38 2d2w n ARG 96 Cb 0.48 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 2d2w n ARG 96 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2d2w s GLN 97 N -3.04 4.29 -0.23 5.56 0.00 -1.26 -4.94 119.66 120.04 2d2w s GLN 97 Ca -0.06 2.02 -0.29 0.00 -0.00 0.00 0.00 55.36 57.03 2d2w s GLN 97 Cb 0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 33.01 29.60 2d2w s GLN 97 CO 0.66 -0.55 1.45 1.03 0.00 0.00 0.00 175.29 177.87 2d2w s ARG 98 N 2.07 3.94 0.35 9.60 3.00 -1.26 -4.97 118.95 131.68 2d2w s ARG 98 Ca 0.65 1.55 -0.29 0.00 0.00 0.00 0.00 55.73 57.64 2d2w s ARG 98 Cb -0.34 -3.93 -0.11 0.00 0.00 0.00 0.00 34.95 30.58 2d2w s ARG 98 CO 0.28 -1.10 1.38 0.20 0.00 0.00 0.00 175.30 176.06 2d2w s GLY 99 N 3.26 2.95 0.07 -3.53 0.00 -1.26 -5.02 107.32 103.80 2d2w s GLY 99 Ca 0.63 1.38 -0.07 0.00 0.00 0.00 0.00 44.72 46.67 2d2w s GLY 99 CO 0.25 2.06 0.13 0.14 0.00 0.00 0.00 173.10 175.67 2d2w s VAL 100 N -1.09 0.15 -2.07 1.40 1.01 -1.26 -5.29 120.40 113.25 2d2w s VAL 100 Ca 0.51 -1.27 0.31 0.00 0.00 0.00 0.00 61.98 61.53 2d2w s VAL 100 Cb -0.42 -1.26 0.86 0.00 0.00 0.00 0.00 36.38 35.56 2d2w s VAL 100 CO 0.56 -0.70 2.16 -1.54 0.00 0.00 0.00 175.10 175.58