#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 -0.67 -3.72 -1.84 7.64 -1.26 -5.02 113.62 108.75 2d2w n SER 2 Ca 0.00 -3.04 -0.30 0.00 1.01 0.00 0.00 58.87 56.55 2d2w n SER 2 Cb 0.00 1.56 -0.13 0.00 -1.01 0.00 0.00 64.21 64.63 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2d2w s LYS 3 N -3.26 1.23 -0.47 1.43 -0.14 -1.26 -5.08 119.74 112.20 2d2w s LYS 3 Ca 0.37 -1.90 -0.29 0.00 -1.36 0.00 0.00 55.97 52.79 2d2w s LYS 3 Cb 0.02 -2.31 0.03 0.00 -1.68 0.00 0.00 37.83 33.88 2d2w s LYS 3 CO 0.26 -1.14 1.20 -1.25 -0.76 0.00 0.00 175.35 173.66 2d2w s PRO 4 N 0.50 3.69 -0.10 -1.68 0.04 -1.26 -4.91 135.00 131.28 2d2w s PRO 4 Ca 0.17 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 2d2w s PRO 4 Cb -0.24 -3.93 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 2d2w s PRO 4 CO -0.02 -1.43 0.05 -1.00 0.04 0.00 0.00 177.00 174.64 2d2w h PRO 5 N 9.54 -0.03 -5.97 0.56 0.13 -2.04 -3.46 132.00 130.74 2d2w h PRO 5 Ca -0.24 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.23 2d2w h PRO 5 Cb 1.07 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 2d2w h PRO 5 CO 1.12 -0.00 -0.58 0.71 -0.23 0.00 0.00 178.00 179.02 2d2w s TYR 6 N -1.66 3.27 1.06 1.56 2.02 -1.26 -4.85 117.35 117.50 2d2w s TYR 6 Ca -0.01 0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 2d2w s TYR 6 Cb -0.00 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2d2w s TYR 6 CO 0.02 0.55 -0.39 0.43 -1.57 0.00 0.00 175.55 174.60 2d2w n SER 7 N 1.49 -2.75 -0.46 2.29 7.64 -1.26 -4.45 113.62 116.11 2d2w n SER 7 Ca -0.15 -0.01 0.09 0.00 1.01 0.00 0.00 58.87 59.81 2d2w n SER 7 Cb 0.53 -0.86 0.35 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 -3.96 0.21 -0.03 1.43 4.01 -1.26 -0.85 117.16 116.72 2d2w n TYR 8 Ca 0.01 -0.11 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 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 0.15 1.85 0.00 -0.72 0.00 -1.26 -4.26 120.51 116.27 2d2w n ALA 9 Ca 0.14 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 2d2w n ALA 9 Cb 0.27 0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 0.13 -0.72 0.00 4.15 -1.90 -3.10 115.11 113.67 2d2w h GLN 10 Ca -0.16 -0.22 0.08 0.00 0.77 0.00 0.00 58.65 59.12 2d2w h GLN 10 Cb 1.36 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 29.09 2d2w h GLN 10 CO 0.01 0.85 0.47 1.25 -1.93 0.00 0.00 178.83 179.48 2d2w h LEU 11 N 0.04 0.61 -0.11 -2.39 5.85 -1.21 -0.68 115.31 117.41 2d2w h LEU 11 Ca -0.32 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 2d2w h LEU 11 Cb 2.02 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 2d2w h LEU 11 CO 0.10 0.38 -0.11 0.40 -0.34 0.00 0.00 178.44 178.87 2d2w h ILE 12 N 0.68 1.35 -0.79 4.05 1.08 -1.74 -2.80 117.51 119.34 2d2w h ILE 12 Ca 0.32 -1.25 0.23 0.00 -0.39 0.00 0.00 64.86 63.77 2d2w h ILE 12 Cb 0.36 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 2d2w h ILE 12 CO -0.11 0.36 0.62 0.58 -0.69 0.00 0.00 178.15 178.91 2d2w h VAL 13 N -0.12 0.49 -0.02 1.67 2.07 -1.06 0.73 116.25 120.00 2d2w h VAL 13 Ca 0.02 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.32 2d2w h VAL 13 Cb 0.62 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2d2w h VAL 13 CO 0.03 0.00 -0.91 1.56 0.02 0.00 0.00 177.57 178.27 2d2w h GLN 14 N 0.00 0.46 0.66 1.57 4.20 -1.16 0.22 115.11 121.06 2d2w h GLN 14 Ca 0.38 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2d2w h GLN 14 Cb 1.62 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 2d2w h GLN 14 CO -0.00 1.11 -0.41 0.00 -0.67 0.00 0.00 178.83 178.86 2d2w h ALA 15 N 0.73 -1.04 0.00 3.87 0.00 0.60 -2.97 119.26 120.44 2d2w h ALA 15 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2d2w h ALA 15 Cb 1.54 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2d2w h ALA 15 CO 0.16 -1.10 -0.34 0.44 0.00 0.00 0.00 179.25 178.41 2d2w n ILE 16 N -5.55 0.26 0.24 0.00 -6.64 -0.93 -3.40 119.36 103.33 2d2w n ILE 16 Ca -0.13 -0.16 0.16 0.00 -1.77 0.00 0.00 62.75 60.84 2d2w n ILE 16 Cb 0.43 -0.22 0.85 0.00 -1.44 0.00 0.00 39.64 39.26 2d2w n ILE 16 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 2d2w h SER 17 N 0.00 0.00 1.14 7.28 0.02 -0.38 0.14 113.55 121.75 2d2w h SER 17 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2d2w h SER 17 Cb 0.64 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 2d2w h SER 17 CO 0.00 0.00 -0.86 -1.28 -1.14 0.00 0.00 176.83 173.55 2d2w h SER 18 N 0.00 0.00 -4.15 3.07 0.87 -1.58 -3.44 113.55 108.32 2d2w h SER 18 Ca 0.00 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.87 2d2w h SER 18 Cb 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.70 2d2w h SER 18 CO 0.00 0.86 -0.81 0.00 -0.53 0.00 0.00 176.83 176.35 2d2w s ALA 19 N -2.78 2.48 0.00 6.23 0.00 0.49 -5.05 121.76 123.13 2d2w s ALA 19 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2d2w s ALA 19 Cb 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2d2w s ALA 19 CO 0.80 0.52 0.00 0.00 0.00 0.00 0.00 175.76 177.08 2d2w n GLN 20 N 2.47 0.00 -1.49 0.00 10.64 -1.26 -2.35 117.38 125.39 2d2w n GLN 20 Ca -0.17 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.73 2d2w n GLN 20 Cb 0.52 -0.24 -0.07 0.00 -0.86 0.00 0.00 30.24 29.60 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2d2w n ASP 21 N 0.00 6.66 -4.72 2.61 9.92 -1.26 -4.88 116.55 124.89 2d2w n ASP 21 Ca 0.00 -3.03 -0.43 0.00 -0.53 0.00 0.00 54.79 50.81 2d2w n ASP 21 Cb 0.00 -1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 39.14 2d2w n ASP 21 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2d2w n ARG 22 N 1.48 2.65 -3.77 -1.24 3.00 -0.99 -4.82 116.66 112.95 2d2w n ARG 22 Ca 0.52 0.95 -0.28 0.00 -0.00 0.00 0.00 57.85 59.04 2d2w n ARG 22 Cb 0.55 -2.76 -0.12 0.00 0.00 0.00 0.00 32.46 30.13 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2d2w s GLN 23 N 0.50 2.03 0.40 -0.14 -2.07 -1.26 -2.90 119.66 116.23 2d2w s GLN 23 Ca 0.71 -2.98 -0.23 0.00 -1.82 0.00 0.00 55.36 51.05 2d2w s GLN 23 Cb -0.53 -2.90 -0.10 0.00 -1.09 0.00 0.00 33.01 28.39 2d2w s GLN 23 CO 0.39 -1.30 0.97 -0.51 -1.32 0.00 0.00 175.29 173.52 2d2w s LEU 24 N -0.99 4.08 0.00 2.60 1.43 0.07 -4.05 118.68 121.82 2d2w s LEU 24 Ca 0.26 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 2d2w s LEU 24 Cb -0.04 -4.34 0.23 0.00 0.03 0.00 0.00 46.19 42.06 2d2w s LEU 24 CO -0.16 -0.32 1.25 0.41 0.23 0.00 0.00 176.35 177.76 2d2w n THR 25 N -0.24 0.00 -0.12 5.49 -1.04 -1.26 -1.78 114.28 115.33 2d2w n THR 25 Ca 0.05 -0.88 -0.03 0.00 -2.04 0.00 0.00 64.05 61.16 2d2w n THR 25 Cb 0.52 -1.49 0.20 0.00 -1.82 0.00 0.00 70.33 67.75 2d2w n THR 25 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d2w h LEU 26 N 0.00 0.75 -1.79 -4.42 4.07 -1.92 -1.35 115.31 110.64 2d2w h LEU 26 Ca -0.41 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.42 2d2w h LEU 26 Cb 1.15 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2d2w h LEU 26 CO 0.29 0.74 0.00 -1.20 -1.08 0.00 0.00 178.44 177.19 2d2w n SER 27 N -4.28 2.50 -0.12 -0.43 7.64 -1.26 -3.92 113.62 113.75 2d2w n SER 27 Ca 0.04 -2.29 -0.21 0.00 1.01 0.00 0.00 58.87 57.42 2d2w n SER 27 Cb 0.22 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.24 -0.48 0.35 0.23 0.00 -0.51 -3.91 105.19 101.10 2d2w n GLY 28 Ca 0.09 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.98 0.13 0.02 -0.61 2.10 -1.68 0.33 117.51 116.83 2d2w h ILE 29 Ca -0.40 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.36 2d2w h ILE 29 Cb 1.34 0.74 0.02 0.00 -1.09 0.00 0.00 36.82 37.82 2d2w h ILE 29 CO -0.24 0.00 -0.71 1.88 -1.08 0.00 0.00 178.15 178.00 2d2w h TYR 30 N 0.00 0.67 0.00 2.19 0.05 -1.74 -2.76 116.97 115.38 2d2w h TYR 30 Ca 0.04 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.44 2d2w h TYR 30 Cb 0.61 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 2d2w h TYR 30 CO 0.00 1.21 -0.02 0.00 -1.05 0.00 0.00 178.16 178.30 2d2w h ALA 31 N 0.30 1.04 -3.00 3.88 0.00 -0.54 -1.86 119.26 119.07 2d2w h ALA 31 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2d2w h ALA 31 Cb 1.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2d2w h ALA 31 CO 0.14 0.03 0.00 1.58 0.00 0.00 0.00 179.25 181.00 2d2w n HIS 32 N -3.17 0.00 -0.16 0.00 -0.00 -0.29 -2.38 115.22 109.22 2d2w n HIS 32 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.83 2d2w n HIS 32 Cb 0.22 0.00 0.44 0.00 -0.00 0.00 0.00 29.99 30.65 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 0.88 -0.24 3.57 2.10 -1.63 -0.04 117.51 122.17 2d2w h ILE 33 Ca 0.00 -0.19 0.06 0.00 1.08 0.00 0.00 64.86 65.81 2d2w h ILE 33 Cb 0.00 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 36.01 2d2w h ILE 33 CO 0.00 0.10 0.17 0.71 -1.08 0.00 0.00 178.15 178.05 2d2w h THR 34 N 0.54 0.91 0.06 2.19 1.35 -1.43 0.77 112.91 117.30 2d2w h THR 34 Ca 0.34 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2d2w h THR 34 Cb 0.60 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2d2w h THR 34 CO -0.12 0.01 -0.03 0.50 -0.25 0.00 0.00 175.52 175.63 2d2w h LYS 35 N 0.05 -0.08 0.27 4.72 3.64 -0.62 -3.40 116.57 121.15 2d2w h LYS 35 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2d2w h LYS 35 Cb 0.38 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2d2w h LYS 35 CO -0.01 0.38 -0.13 0.45 -2.27 0.00 0.00 179.45 177.87 2d2w h HIS 36 N -0.97 -0.34 -3.23 1.91 3.86 -1.24 -3.41 115.15 111.73 2d2w h HIS 36 Ca -0.01 -0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.62 2d2w h HIS 36 Cb 0.49 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 2d2w h HIS 36 CO 0.12 -0.21 0.91 0.71 0.86 0.00 0.00 177.93 180.31 2d2w s TYR 37 N -2.86 2.92 0.19 2.45 1.51 0.27 -4.89 117.35 116.93 2d2w s TYR 37 Ca -0.05 1.03 0.09 0.00 -1.01 0.00 0.00 57.07 57.12 2d2w s TYR 37 Cb 0.01 -3.80 0.06 0.00 -0.11 0.00 0.00 41.96 38.11 2d2w s TYR 37 CO 0.16 -1.24 1.44 -1.00 -1.11 0.00 0.00 175.55 173.79 2d2w h PRO 38 N 8.64 0.00 -0.43 -1.71 0.13 -1.77 -3.28 132.00 133.58 2d2w h PRO 38 Ca -0.23 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2d2w h PRO 38 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2d2w h PRO 38 CO 1.03 0.82 0.28 -0.92 -0.23 0.00 0.00 178.00 178.98 2d2w h TYR 39 N 0.00 0.53 -1.44 1.56 3.20 -1.91 -3.36 116.97 115.54 2d2w h TYR 39 Ca -0.01 0.01 -0.42 0.00 3.14 0.00 0.00 58.73 61.46 2d2w h TYR 39 Cb 1.45 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2d2w h TYR 39 CO 0.00 0.32 1.09 0.71 -1.64 0.00 0.00 178.16 178.65 2d2w s TYR 40 N -6.16 1.75 0.05 -3.82 1.51 -1.24 -3.91 117.35 105.55 2d2w s TYR 40 Ca -0.13 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 2d2w s TYR 40 Cb 0.11 -4.10 0.00 0.00 -0.11 0.00 0.00 41.96 37.87 2d2w s TYR 40 CO 0.73 -2.06 0.00 -2.13 -1.11 0.00 0.00 175.55 170.98 2d2w n ARG 41 N 9.05 0.00 -0.12 -0.62 0.00 -1.26 -4.22 116.66 119.49 2d2w n ARG 41 Ca 0.28 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.24 2d2w n ARG 41 Cb 0.50 0.00 0.31 0.00 0.00 0.00 0.00 32.46 33.27 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2d2w n THR 42 N -2.49 0.32 -2.77 5.15 -2.24 -1.25 -4.23 114.28 106.77 2d2w n THR 42 Ca 0.00 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2d2w n THR 42 Cb 0.00 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d2w n ALA 43 N 0.68 2.76 0.16 6.98 0.00 -1.26 -4.90 120.51 124.93 2d2w n ALA 43 Ca 0.17 -2.93 0.06 0.00 0.00 0.00 0.00 53.44 50.74 2d2w n ALA 43 Cb 0.41 -0.95 0.31 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.04 0.29 -4.57 0.00 9.92 -1.26 -4.25 116.55 116.64 2d2w n ASP 44 Ca 0.11 0.62 -0.30 0.00 -0.53 0.00 0.00 54.79 54.69 2d2w n ASP 44 Cb 0.79 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 2d2w n ASP 44 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2d2w s LYS 45 N -3.24 2.71 0.00 -1.24 1.02 -1.26 -2.81 119.74 114.91 2d2w s LYS 45 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.07 2d2w s LYS 45 Cb 0.04 -5.21 0.00 0.00 -0.52 0.00 0.00 37.83 32.14 2d2w s LYS 45 CO 0.15 -3.52 0.00 0.41 -0.92 0.00 0.00 175.35 171.46 2d2w n GLY 46 N 6.21 0.24 0.00 -3.33 0.00 -1.26 -4.79 105.19 102.26 2d2w n GLY 46 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 1.61 4.27 -1.19 -4.86 117.44 117.27 2d2w n TRP 47 Ca 0.00 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 2d2w n TRP 47 Cb 0.00 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2d2w n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2d2w n GLN 48 N -0.02 0.00 0.33 -2.67 -0.00 -1.12 -2.07 117.38 111.83 2d2w n GLN 48 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.00 57.22 2d2w n GLN 48 Cb 0.20 0.00 1.14 0.00 -0.00 0.00 0.00 30.24 31.58 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 0.00 -0.42 2.61 -0.73 -1.95 -1.57 115.58 113.52 2d2w h ASN 49 Ca 0.00 0.00 0.12 0.00 1.87 0.00 0.00 56.30 58.29 2d2w h ASN 49 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2d2w h ASN 49 CO 0.00 0.00 0.42 -1.28 -0.37 0.00 0.00 177.43 176.20 2d2w h SER 50 N 0.00 0.00 0.52 1.15 0.87 -1.88 -1.54 113.55 112.68 2d2w h SER 50 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2d2w h SER 50 Cb 0.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2d2w h SER 50 CO 0.00 0.00 -0.25 0.40 -0.53 0.00 0.00 176.83 176.45 2d2w h ILE 51 N 0.00 0.06 -0.58 2.23 5.03 -0.69 0.22 117.51 123.78 2d2w h ILE 51 Ca 0.20 -0.50 0.12 0.00 -0.12 0.00 0.00 64.86 64.56 2d2w h ILE 51 Cb 1.03 0.10 -0.10 0.00 -3.03 0.00 0.00 36.82 34.83 2d2w h ILE 51 CO -0.00 0.01 0.01 -0.09 -0.68 0.00 0.00 178.15 177.40 2d2w h ARG 52 N -1.16 0.13 -0.03 2.37 2.43 -1.49 0.55 114.38 117.17 2d2w h ARG 52 Ca -0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2d2w h ARG 52 Cb 0.56 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2d2w h ARG 52 CO 0.12 0.08 -0.18 1.25 -1.51 0.00 0.00 179.97 179.73 2d2w h HIS 53 N 0.13 0.05 0.00 2.20 2.76 -1.33 0.19 115.15 119.15 2d2w h HIS 53 Ca 0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2d2w h HIS 53 Cb 0.47 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2d2w h HIS 53 CO -0.34 0.23 0.00 0.09 -1.30 0.00 0.00 177.93 176.62 2d2w n ASN 54 N -4.30 0.00 0.00 3.26 3.02 0.17 -2.17 115.26 115.25 2d2w n ASN 54 Ca -0.02 0.65 0.02 0.00 -0.03 0.00 0.00 54.58 55.20 2d2w n ASN 54 Cb 0.26 -0.41 0.10 0.00 -0.61 0.00 0.00 39.78 39.12 2d2w n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d2w n LEU 55 N -1.74 0.00 0.05 3.41 -0.00 -0.18 -1.43 117.00 117.12 2d2w n LEU 55 Ca 0.00 0.43 -0.22 0.00 -0.00 0.00 0.00 56.01 56.22 2d2w n LEU 55 Cb 0.00 -0.43 -0.15 0.00 -0.00 0.00 0.00 43.42 42.85 2d2w n LEU 55 CO 0.00 -0.36 -0.31 0.28 -0.00 0.00 0.00 177.39 177.00 2d2w h SER 56 N 0.00 0.52 -0.20 1.45 0.02 -0.97 -3.30 113.55 111.08 2d2w h SER 56 Ca 0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2d2w h SER 56 Cb 0.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2d2w h SER 56 CO 0.00 1.62 0.00 0.00 -1.14 0.00 0.00 176.83 177.31 2d2w n LEU 57 N -3.87 1.87 -4.90 5.07 -0.00 -0.77 -4.68 117.00 109.71 2d2w n LEU 57 Ca -0.21 -0.79 -0.29 0.00 -0.00 0.00 0.00 56.01 54.72 2d2w n LEU 57 Cb 0.95 -0.13 0.08 0.00 -0.00 0.00 0.00 43.42 44.32 2d2w n LEU 57 CO 0.48 0.40 0.76 0.20 -0.00 0.00 0.00 177.39 179.23 2d2w s ASN 58 N -1.52 4.64 -0.09 1.45 0.01 -0.51 -5.01 114.94 113.91 2d2w s ASN 58 Ca 0.32 0.78 0.04 0.00 -0.71 0.00 0.00 52.86 53.29 2d2w s ASN 58 Cb 0.18 -1.32 -0.24 0.00 0.41 0.00 0.00 41.25 40.28 2d2w s ASN 58 CO 0.26 -1.81 0.48 -2.11 -1.51 0.00 0.00 177.10 172.41 2d2w n ARG 59 N -3.24 0.69 0.02 -0.60 1.85 -1.26 -4.33 116.66 109.80 2d2w n ARG 59 Ca 0.08 0.27 -0.04 0.00 -1.00 0.00 0.00 57.85 57.16 2d2w n ARG 59 Cb 0.61 -1.74 -0.10 0.00 -1.05 0.00 0.00 32.46 30.18 2d2w n ARG 59 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 2d2w h TYR 60 N 0.03 0.00 -3.45 2.89 -0.00 -1.95 -3.45 116.97 111.05 2d2w h TYR 60 Ca -0.36 0.00 -0.57 0.00 0.00 0.00 0.00 58.73 57.80 2d2w h TYR 60 Cb 2.03 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 38.70 2d2w h TYR 60 CO 0.03 0.77 0.90 -0.06 -0.00 0.00 0.00 178.16 179.80 2d2w s PHE 61 N -2.78 2.95 0.32 0.10 0.08 -1.26 -0.98 117.98 116.41 2d2w s PHE 61 Ca -0.03 0.97 0.03 0.00 0.12 0.00 0.00 56.93 58.02 2d2w s PHE 61 Cb 0.08 -4.02 0.03 0.00 -0.57 0.00 0.00 43.02 38.54 2d2w s PHE 61 CO 0.81 -1.09 0.22 0.44 -0.10 0.00 0.00 175.22 175.50 2d2w n ILE 62 N 6.31 0.00 -4.38 0.64 -5.35 0.32 -4.66 119.36 112.25 2d2w n ILE 62 Ca 0.12 -1.28 -0.20 0.00 -0.27 0.00 0.00 62.75 61.13 2d2w n ILE 62 Cb 0.48 -0.19 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 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 -3.30 1.44 0.09 6.28 1.02 -1.26 -1.77 119.74 122.24 2d2w s LYS 63 Ca 0.17 -1.71 -0.27 0.00 0.02 0.00 0.00 55.97 54.18 2d2w s LYS 63 Cb -0.01 -1.03 -0.15 0.00 -0.52 0.00 0.00 37.83 36.12 2d2w s LYS 63 CO 0.11 0.05 1.68 0.28 -0.92 0.00 0.00 175.35 176.54 2d2w h VAL 64 N 2.40 0.65 -3.40 3.17 2.07 -1.82 -3.44 116.25 115.88 2d2w h VAL 64 Ca -0.39 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 66.79 2d2w h VAL 64 Cb 1.23 0.65 0.14 0.00 -1.52 0.00 0.00 31.29 31.79 2d2w h VAL 64 CO 0.65 0.00 0.30 -0.81 0.02 0.00 0.00 177.57 177.74 2d2w n PRO 65 N -5.29 -1.22 -4.01 1.57 -0.04 -1.26 -5.09 135.00 119.65 2d2w n PRO 65 Ca -0.09 -1.59 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 2d2w n PRO 65 Cb 0.21 -1.11 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2d2w n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d2w s ARG 66 N -5.26 0.40 0.19 0.54 0.52 -1.26 -5.14 118.95 108.94 2d2w s ARG 66 Ca 0.59 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2d2w s ARG 66 Cb -0.02 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.47 2d2w s ARG 66 CO 0.42 -0.05 0.05 -1.54 0.02 0.00 0.00 175.30 174.20 2d2w s SER 67 N -1.73 1.00 -0.58 0.23 1.04 -1.26 -5.08 113.70 107.32 2d2w s SER 67 Ca -0.11 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.11 2d2w s SER 67 Cb -0.07 0.18 0.34 0.00 0.10 0.00 0.00 66.02 66.57 2d2w s SER 67 CO -0.02 -0.66 0.96 0.00 0.98 0.00 0.00 173.24 174.50 2d2w n GLN 68 N -0.29 3.27 0.07 4.02 6.02 -1.26 -4.78 117.38 124.44 2d2w n GLN 68 Ca -0.04 -4.85 0.00 0.00 -0.01 0.00 0.00 57.00 52.10 2d2w n GLN 68 Cb 0.64 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.66 2d2w n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2d2w n GLU 69 N -0.26 0.00 -3.60 -1.09 2.13 -1.26 -5.15 120.64 111.40 2d2w n GLU 69 Ca 0.31 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.04 2d2w n GLU 69 Cb 0.40 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.06 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2d2w s GLU 70 N -2.00 0.50 -0.43 5.31 -1.05 -1.26 -5.12 118.70 114.66 2d2w s GLU 70 Ca 0.00 0.27 -0.29 0.00 -0.15 0.00 0.00 54.97 54.80 2d2w s GLU 70 Cb 0.00 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2d2w s GLU 70 CO 0.00 -0.13 1.24 -1.25 0.95 0.00 0.00 175.26 176.07 2d2w s PRO 71 N -0.62 3.72 0.00 -4.83 0.04 -1.26 -4.81 135.00 127.24 2d2w s PRO 71 Ca 0.01 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2d2w s PRO 71 Cb -0.02 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2d2w s PRO 71 CO -0.02 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2d2w n GLY 72 N 4.79 0.07 3.64 0.56 0.00 -1.26 -4.73 105.19 108.25 2d2w n GLY 72 Ca 0.14 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2d2w n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d2w s LYS 73 N 0.00 3.87 0.06 1.61 2.47 -1.26 -4.91 119.74 121.58 2d2w s LYS 73 Ca 0.00 1.95 -0.03 0.00 -1.56 0.00 0.00 55.97 56.34 2d2w s LYS 73 Cb 0.00 -4.07 0.01 0.00 -1.46 0.00 0.00 37.83 32.31 2d2w s LYS 73 CO 0.00 -1.22 0.13 0.41 0.16 0.00 0.00 175.35 174.83 2d2w n GLY 74 N 4.62 1.77 0.00 5.54 0.00 -1.26 -5.09 105.19 110.77 2d2w n GLY 74 Ca 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2d2w n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d2w n SER 75 N -1.05 0.00 -4.57 1.61 2.88 -1.26 -4.94 113.62 106.29 2d2w n SER 75 Ca -0.01 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.22 2d2w n SER 75 Cb 0.10 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2d2w s PHE 76 N 0.42 2.06 0.00 0.66 5.36 -1.26 -3.79 117.98 121.44 2d2w s PHE 76 Ca 0.00 0.12 -0.13 0.00 -0.96 0.00 0.00 56.93 55.95 2d2w s PHE 76 Cb 0.00 -4.21 -0.06 0.00 -0.34 0.00 0.00 43.02 38.41 2d2w s PHE 76 CO 0.00 -1.63 0.39 1.67 -1.46 0.00 0.00 175.22 174.18 2d2w s TRP 77 N 8.91 3.70 0.30 10.12 1.48 -0.73 -2.45 118.94 140.26 2d2w s TRP 77 Ca 0.64 0.93 0.10 0.00 -1.06 0.00 0.00 56.10 56.70 2d2w s TRP 77 Cb -0.03 -2.24 -0.06 0.00 -1.16 0.00 0.00 33.47 29.98 2d2w s TRP 77 CO 0.02 0.63 -0.13 -0.98 -4.06 0.00 0.00 176.95 172.43 2d2w s ARG 78 N -1.21 1.68 0.25 3.25 1.70 -0.73 -0.75 118.95 123.14 2d2w s ARG 78 Ca 0.25 -1.82 0.01 0.00 -0.47 0.00 0.00 55.73 53.70 2d2w s ARG 78 Cb -0.16 -1.59 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 2d2w s ARG 78 CO 0.13 0.20 0.43 -1.50 -1.08 0.00 0.00 175.30 173.48 2d2w s ILE 79 N -2.67 5.19 0.58 4.99 2.07 -1.14 -0.52 121.20 129.71 2d2w s ILE 79 Ca 0.30 -0.55 -0.20 0.00 -1.41 0.00 0.00 60.65 58.79 2d2w s ILE 79 Cb -0.00 -3.80 -0.03 0.00 0.13 0.00 0.00 42.46 38.75 2d2w s ILE 79 CO 0.14 -0.32 1.33 -1.81 -1.91 0.00 0.00 174.94 172.36 2d2w s ASP 80 N -3.62 5.03 0.00 4.50 1.01 -0.15 -4.74 116.67 118.69 2d2w s ASP 80 Ca 0.38 2.69 -0.16 0.00 0.71 0.00 0.00 52.55 56.16 2d2w s ASP 80 Cb -0.10 -2.63 -0.34 0.00 1.01 0.00 0.00 42.92 40.86 2d2w s ASP 80 CO 0.31 -1.73 0.92 1.55 0.21 0.00 0.00 175.17 176.44 2d2w h PRO 81 N 1.10 0.47 0.00 8.23 0.13 -1.92 -2.72 132.00 137.29 2d2w h PRO 81 Ca -0.51 -0.81 0.00 0.00 -0.87 0.00 0.00 66.00 63.81 2d2w h PRO 81 Cb 1.31 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.74 2d2w h PRO 81 CO 0.56 1.39 -0.06 0.00 -0.23 0.00 0.00 178.00 179.65 2d2w n ALA 82 N -2.74 2.37 0.93 -0.56 0.00 -1.26 -3.09 120.51 116.16 2d2w n ALA 82 Ca -0.18 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.30 2d2w n ALA 82 Cb 1.04 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.06 0.88 0.45 0.00 7.64 -1.24 -4.49 113.62 114.80 2d2w n SER 83 Ca 0.06 -0.85 -0.20 0.00 1.01 0.00 0.00 58.87 58.89 2d2w n SER 83 Cb 0.41 0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 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 -1.19 -1.12 1.43 5.08 -1.41 -0.93 114.58 116.43 2d2w h GLU 84 Ca 0.00 0.08 0.33 0.00 -1.00 0.00 0.00 59.36 58.77 2d2w h GLU 84 Cb 0.54 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2d2w h GLU 84 CO 0.00 -0.80 1.14 0.00 -1.00 0.00 0.00 179.01 178.35 2d2w h ALA 85 N -1.23 3.02 0.00 3.43 0.00 -1.79 0.10 119.26 122.80 2d2w h ALA 85 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2d2w h ALA 85 Cb 0.98 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2d2w h ALA 85 CO 0.13 -1.71 -0.12 -0.22 0.00 0.00 0.00 179.25 177.33 2d2w h LYS 86 N 0.00 0.00 0.15 0.00 3.64 -1.49 -3.31 116.57 115.56 2d2w h LYS 86 Ca 0.53 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.92 2d2w h LYS 86 Cb 2.80 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 34.57 2d2w h LYS 86 CO -0.01 0.00 -0.51 1.37 -2.27 0.00 0.00 179.45 178.03 2d2w h LEU 87 N -0.61 -1.52 -1.97 5.20 -0.00 0.03 -0.11 115.31 116.34 2d2w h LEU 87 Ca 0.00 0.16 0.51 0.00 -0.00 0.00 0.00 57.88 58.55 2d2w h LEU 87 Cb 0.12 0.56 -0.07 0.00 -0.00 0.00 0.00 40.66 41.27 2d2w h LEU 87 CO 0.00 -0.56 1.29 -0.37 -0.00 0.00 0.00 178.44 178.80 2d2w h VAL 88 N -0.76 0.10 -0.32 0.15 -1.51 -1.25 0.15 116.25 112.80 2d2w h VAL 88 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.53 2d2w h VAL 88 Cb 0.76 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.96 2d2w h VAL 88 CO -0.26 0.00 -0.09 -0.08 -1.23 0.00 0.00 177.57 175.91 2d2w h GLU 89 N 0.00 -0.01 0.00 5.19 4.57 -1.10 0.32 114.58 123.55 2d2w h GLU 89 Ca 0.84 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.02 2d2w h GLU 89 Cb 3.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 32.01 2d2w h GLU 89 CO -0.01 -0.01 0.00 1.04 -1.18 0.00 0.00 179.01 178.85 2d2w n GLN 90 N -5.27 0.17 0.16 1.92 3.00 0.49 -3.11 117.38 114.74 2d2w n GLN 90 Ca 0.00 0.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.09 2d2w n GLN 90 Cb 0.19 -1.70 -0.03 0.00 0.00 0.00 0.00 30.24 28.69 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2d2w h ALA 91 N 2.66 -0.61 0.00 -1.58 0.00 -0.01 -3.08 119.26 116.63 2d2w h ALA 91 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2d2w h ALA 91 Cb 0.62 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2d2w h ALA 91 CO 0.00 -0.58 0.00 1.19 0.00 0.00 0.00 179.25 179.86 2d2w n PHE 92 N -4.25 0.50 -4.06 0.00 3.72 -0.56 -4.57 117.46 108.24 2d2w n PHE 92 Ca -0.06 0.23 -0.35 0.00 -0.05 0.00 0.00 57.45 57.22 2d2w n PHE 92 Cb 0.18 -0.87 -0.07 0.00 -0.94 0.00 0.00 39.48 37.79 2d2w n PHE 92 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2d2w s ARG 93 N -3.28 3.23 -0.09 -1.08 0.52 -1.16 -5.09 118.95 112.01 2d2w s ARG 93 Ca 0.02 -0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 2d2w s ARG 93 Cb 0.07 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 2d2w s ARG 93 CO 0.24 0.71 0.44 0.15 0.02 0.00 0.00 175.30 176.86 2d2w s LYS 94 N -1.31 4.22 -1.24 3.54 1.02 -1.26 -4.76 119.74 119.94 2d2w s LYS 94 Ca 0.18 0.41 -0.20 0.00 0.02 0.00 0.00 55.97 56.38 2d2w s LYS 94 Cb -0.12 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2d2w s LYS 94 CO 0.08 0.32 1.80 -0.98 -0.92 0.00 0.00 175.35 175.65 2d2w s ARG 95 N 0.10 3.44 -0.37 1.68 1.70 -1.26 -4.68 118.95 119.55 2d2w s ARG 95 Ca 0.24 -1.65 0.12 0.00 -0.47 0.00 0.00 55.73 53.97 2d2w s ARG 95 Cb -0.15 -5.42 0.34 0.00 -0.57 0.00 0.00 34.95 29.15 2d2w s ARG 95 CO 0.11 -2.87 0.72 -2.13 -1.08 0.00 0.00 175.30 170.04 2d2w n ARG 96 N 8.39 0.98 -0.09 3.89 0.63 -1.26 -4.92 116.66 124.28 2d2w n ARG 96 Ca 0.47 -3.39 -0.00 0.00 -0.92 0.00 0.00 57.85 54.00 2d2w n ARG 96 Cb 0.46 -1.68 0.27 0.00 0.45 0.00 0.00 32.46 31.96 2d2w n ARG 96 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2d2w h GLN 97 N 3.07 0.73 0.00 -0.14 4.20 -1.96 -3.44 115.11 117.57 2d2w h GLN 97 Ca 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2d2w h GLN 97 Cb 0.96 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2d2w h GLN 97 CO 0.50 0.61 0.00 -2.13 -0.67 0.00 0.00 178.83 177.14 2d2w n ARG 98 N -4.34 0.00 0.06 1.46 0.63 -1.26 -5.04 116.66 108.16 2d2w n ARG 98 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2d2w n ARG 98 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2d2w n GLY 99 N -0.70 -1.85 2.66 5.14 0.00 -1.26 -5.01 105.19 104.17 2d2w n GLY 99 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 2d2w n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d2w n VAL 100 N -2.54 0.58 0.21 1.61 3.14 -1.26 -5.04 118.33 115.03 2d2w n VAL 100 Ca 0.00 -1.84 0.02 0.00 -2.96 0.00 0.00 64.34 59.55 2d2w n VAL 100 Cb 0.00 1.12 0.10 0.00 -1.06 0.00 0.00 33.84 34.01 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17