#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 3.09 -2.92 4.31 7.64 -1.26 -4.60 113.62 119.88 2d2w n SER 2 Ca 0.00 -1.98 -0.19 0.00 1.01 0.00 0.00 58.87 57.70 2d2w n SER 2 Cb 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2d2w n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2d2w n LYS 3 N 0.74 1.87 0.11 1.43 4.81 -1.26 -4.90 118.16 120.96 2d2w n LYS 3 Ca 0.14 -3.86 -0.03 0.00 -0.87 0.00 0.00 58.31 53.69 2d2w n LYS 3 Cb 0.46 -1.81 0.12 0.00 0.02 0.00 0.00 35.03 33.82 2d2w n LYS 3 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2d2w h PRO 4 N 2.94 0.08 0.00 1.64 0.13 -1.98 -3.35 132.00 131.46 2d2w h PRO 4 Ca 0.09 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2d2w h PRO 4 Cb 0.89 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2d2w h PRO 4 CO 0.62 0.71 -0.00 -1.00 -0.23 0.00 0.00 178.00 178.11 2d2w h PRO 5 N 0.06 -0.00 -6.21 1.56 0.13 -1.90 -3.21 132.00 122.41 2d2w h PRO 5 Ca -0.01 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.64 2d2w h PRO 5 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2d2w h PRO 5 CO 0.09 0.80 -0.46 0.71 -0.23 0.00 0.00 178.00 178.91 2d2w s TYR 6 N -2.96 3.09 0.00 1.56 2.02 -1.26 -2.07 117.35 117.74 2d2w s TYR 6 Ca -0.18 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2d2w s TYR 6 Cb -0.01 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 2d2w s TYR 6 CO 0.68 0.31 0.00 0.45 -1.57 0.00 0.00 175.55 175.42 2d2w n SER 7 N -1.35 0.29 -3.31 2.29 2.88 -1.26 -4.88 113.62 108.28 2d2w n SER 7 Ca -0.05 -0.22 -0.40 0.00 -1.33 0.00 0.00 58.87 56.87 2d2w n SER 7 Cb 0.58 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.00 2.87 0.00 0.66 4.02 -1.26 -2.99 117.16 120.46 2d2w n TYR 8 Ca 0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 57.90 55.43 2d2w n TYR 8 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 39.34 38.13 2d2w n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d2w n ALA 9 N -0.27 0.00 0.01 -0.72 0.00 -1.26 -4.85 120.51 113.42 2d2w n ALA 9 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 2d2w n ALA 9 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 2d2w n ALA 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d2w h GLN 10 N 0.00 0.00 -0.67 0.00 4.15 -1.97 -3.15 115.11 113.47 2d2w h GLN 10 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2d2w h GLN 10 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2d2w h GLN 10 CO 0.00 0.36 0.26 1.25 -1.93 0.00 0.00 178.83 178.78 2d2w h LEU 11 N 0.00 0.90 -0.17 -2.39 5.85 -1.88 -2.31 115.31 115.30 2d2w h LEU 11 Ca -0.20 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2d2w h LEU 11 Cb 1.73 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2d2w h LEU 11 CO 0.06 0.80 0.00 0.40 -0.34 0.00 0.00 178.44 179.36 2d2w h ILE 12 N 0.96 1.25 -0.78 4.05 1.08 -1.79 -2.62 117.51 119.66 2d2w h ILE 12 Ca 0.23 -0.85 0.23 0.00 -0.39 0.00 0.00 64.86 64.08 2d2w h ILE 12 Cb 0.19 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 2d2w h ILE 12 CO -0.02 0.25 0.60 0.58 -0.69 0.00 0.00 178.15 178.87 2d2w h VAL 13 N 0.05 0.53 -0.00 1.67 2.07 -1.38 0.77 116.25 119.96 2d2w h VAL 13 Ca 0.05 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.34 2d2w h VAL 13 Cb 0.38 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2d2w h VAL 13 CO 0.01 0.00 -0.94 1.56 0.02 0.00 0.00 177.57 178.22 2d2w h GLN 14 N 0.00 0.42 0.58 1.57 4.20 -1.15 -1.08 115.11 119.65 2d2w h GLN 14 Ca 0.37 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2d2w h GLN 14 Cb 1.56 0.13 0.01 0.00 0.30 0.00 0.00 27.48 29.48 2d2w h GLN 14 CO -0.00 1.11 -0.28 0.00 -0.67 0.00 0.00 178.83 178.99 2d2w h ALA 15 N 0.73 -1.09 0.00 3.87 0.00 0.75 -3.03 119.26 120.49 2d2w h ALA 15 Ca -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2d2w h ALA 15 Cb 1.58 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2d2w h ALA 15 CO 0.16 -1.04 -0.04 -0.84 0.00 0.00 0.00 179.25 177.50 2d2w h ILE 16 N -0.86 0.10 0.00 0.00 -0.00 -1.44 -1.57 117.51 113.74 2d2w h ILE 16 Ca -0.08 -0.60 0.00 0.00 -0.00 0.00 0.00 64.86 64.18 2d2w h ILE 16 Cb 0.60 1.54 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 2d2w h ILE 16 CO 0.13 0.04 0.00 -1.20 -0.00 0.00 0.00 178.15 177.12 2d2w n SER 17 N -3.15 0.60 -0.00 2.16 7.64 -0.41 -0.66 113.62 119.79 2d2w n SER 17 Ca 0.00 0.75 0.06 0.00 1.01 0.00 0.00 58.87 60.69 2d2w n SER 17 Cb 0.32 -0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 2d2w n SER 17 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d2w n SER 18 N -2.27 0.98 -4.69 6.43 3.41 -0.61 -5.00 113.62 111.87 2d2w n SER 18 Ca -0.01 -0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 57.68 2d2w n SER 18 Cb 0.08 1.14 0.11 0.00 -0.26 0.00 0.00 64.21 65.28 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d2w n ALA 19 N -1.43 0.16 -0.60 7.33 0.00 0.16 -4.90 120.51 121.23 2d2w n ALA 19 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2d2w n ALA 19 Cb 0.21 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 -2.88 0.00 0.00 0.00 6.02 -1.26 -4.16 117.38 115.10 2d2w n GLN 20 Ca 0.14 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2d2w n GLN 20 Cb 0.50 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.56 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2d2w n ASP 21 N -1.76 0.00 -0.55 1.08 2.03 -1.26 -4.97 116.55 111.11 2d2w n ASP 21 Ca 0.00 0.34 -0.00 0.00 0.52 0.00 0.00 54.79 55.65 2d2w n ASP 21 Cb 0.00 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2d2w n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2d2w n ARG 22 N -2.08 0.00 -4.19 -0.67 1.74 -1.26 -4.99 116.66 105.21 2d2w n ARG 22 Ca 0.00 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.86 2d2w n ARG 22 Cb 0.00 0.48 -0.16 0.00 -1.02 0.00 0.00 32.46 31.76 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2d2w s GLN 23 N 0.00 0.84 0.09 5.56 -2.07 -1.26 -2.79 119.66 120.03 2d2w s GLN 23 Ca 0.00 -0.12 0.09 0.00 -1.82 0.00 0.00 55.36 53.51 2d2w s GLN 23 Cb 0.00 -0.83 -0.04 0.00 -1.09 0.00 0.00 33.01 31.05 2d2w s GLN 23 CO -0.00 -0.07 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.21 2d2w s LEU 24 N 0.85 2.64 0.94 2.60 1.43 -0.03 -4.75 118.68 122.36 2d2w s LEU 24 Ca -0.12 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 2d2w s LEU 24 Cb -0.14 -1.51 0.17 0.00 0.03 0.00 0.00 46.19 44.74 2d2w s LEU 24 CO 0.00 0.20 1.25 0.42 0.23 0.00 0.00 176.35 178.46 2d2w s THR 25 N -1.07 1.97 0.24 5.49 -4.23 -1.26 -0.62 115.64 116.16 2d2w s THR 25 Ca 0.17 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 2d2w s THR 25 Cb -0.10 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.03 2d2w s THR 25 CO 0.08 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.32 2d2w h LEU 26 N -1.56 1.11 -3.61 4.79 6.46 -1.97 -1.13 115.31 119.39 2d2w h LEU 26 Ca -0.45 -0.04 -0.40 0.00 -0.12 0.00 0.00 57.88 56.86 2d2w h LEU 26 Cb 1.27 -0.28 -0.24 0.00 -0.73 0.00 0.00 40.66 40.69 2d2w h LEU 26 CO 0.47 0.82 0.51 -1.20 -0.62 0.00 0.00 178.44 178.42 2d2w n SER 27 N -4.40 3.71 -0.13 1.25 7.64 -1.26 -4.23 113.62 116.20 2d2w n SER 27 Ca 0.11 -3.29 -0.28 0.00 1.01 0.00 0.00 58.87 56.42 2d2w n SER 27 Cb 0.03 -0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 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 -0.77 -0.43 0.37 0.23 0.00 -0.43 -3.90 105.19 100.26 2d2w n GLY 28 Ca 0.48 -0.14 0.09 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 -0.95 0.92 0.09 -0.61 2.10 -1.73 -0.21 117.51 117.12 2d2w h ILE 29 Ca -0.66 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.00 2d2w h ILE 29 Cb 1.57 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 2d2w h ILE 29 CO -0.40 0.15 -0.04 1.88 -1.08 0.00 0.00 178.15 178.66 2d2w h TYR 30 N 0.81 -0.11 0.00 2.19 0.05 -1.77 -2.03 116.97 116.11 2d2w h TYR 30 Ca 0.42 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 2d2w h TYR 30 Cb 0.50 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2d2w h TYR 30 CO -0.00 0.22 0.00 0.00 -1.05 0.00 0.00 178.16 177.33 2d2w n ALA 31 N -2.32 1.36 0.01 3.88 0.00 -0.81 -1.86 120.51 120.78 2d2w n ALA 31 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2d2w n ALA 31 Cb 0.20 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2d2w n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2d2w h HIS 32 N 0.00 -0.07 -0.63 0.00 -0.00 -0.35 -3.23 115.15 110.87 2d2w h HIS 32 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2d2w h HIS 32 Cb 0.17 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2d2w h HIS 32 CO 0.00 -0.05 0.31 -0.84 -0.00 0.00 0.00 177.93 177.36 2d2w h ILE 33 N -0.40 1.20 -0.19 6.26 -0.00 -1.43 -1.55 117.51 121.41 2d2w h ILE 33 Ca -0.01 -0.55 0.05 0.00 -0.00 0.00 0.00 64.86 64.36 2d2w h ILE 33 Cb 0.06 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 37.26 2d2w h ILE 33 CO 0.01 0.23 0.16 0.71 -0.00 0.00 0.00 178.15 179.27 2d2w h THR 34 N 0.88 0.68 0.00 0.16 1.35 -1.52 1.20 112.91 115.66 2d2w h THR 34 Ca 0.22 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.91 2d2w h THR 34 Cb 0.07 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 2d2w h THR 34 CO -0.03 0.00 -1.16 0.50 -0.25 0.00 0.00 175.52 174.58 2d2w h LYS 35 N 0.00 0.00 0.00 4.72 3.64 -1.31 -3.42 116.57 120.20 2d2w h LYS 35 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2d2w h LYS 35 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2d2w h LYS 35 CO -0.00 0.43 -0.37 0.72 -2.27 0.00 0.00 179.45 177.96 2d2w n HIS 36 N -3.03 0.00 -2.54 1.91 8.25 0.05 -4.92 115.22 114.93 2d2w n HIS 36 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 2d2w n HIS 36 Cb 0.84 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.89 2.88 -0.23 4.41 2.02 0.39 -4.87 117.35 120.05 2d2w s TYR 37 Ca -0.11 0.95 0.17 0.00 -0.37 0.00 0.00 57.07 57.72 2d2w s TYR 37 Cb 0.01 -3.97 0.14 0.00 -0.40 0.00 0.00 41.96 37.75 2d2w s TYR 37 CO 0.16 -1.25 1.49 -1.00 -1.57 0.00 0.00 175.55 173.38 2d2w h PRO 38 N 8.88 0.00 -0.02 -1.71 0.13 -1.85 -3.21 132.00 134.23 2d2w h PRO 38 Ca -0.23 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2d2w h PRO 38 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2d2w h PRO 38 CO 1.06 0.37 0.03 -0.92 -0.23 0.00 0.00 178.00 178.30 2d2w h TYR 39 N 0.00 0.00 -1.43 1.56 3.20 -1.92 -3.23 116.97 115.15 2d2w h TYR 39 Ca -0.00 0.00 -0.73 0.00 3.14 0.00 0.00 58.73 61.13 2d2w h TYR 39 Cb 1.28 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.41 2d2w h TYR 39 CO 0.00 0.00 1.95 0.66 -1.64 0.00 0.00 178.16 179.13 2d2w n TYR 40 N -3.80 3.99 0.05 -3.82 4.01 -1.21 -4.32 117.16 112.06 2d2w n TYR 40 Ca -0.02 -3.03 0.00 0.00 -0.16 0.00 0.00 57.90 54.69 2d2w n TYR 40 Cb 0.11 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 36.94 2d2w n TYR 40 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2d2w n ARG 41 N 5.39 0.00 -1.18 -0.72 0.63 -1.22 -4.70 116.66 114.85 2d2w n ARG 41 Ca 0.41 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 57.12 2d2w n ARG 41 Cb 0.40 0.00 0.17 0.00 0.45 0.00 0.00 32.46 33.48 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 -2.79 3.14 -2.83 5.15 -2.24 -1.26 -4.60 114.28 108.84 2d2w n THR 42 Ca 0.00 -2.18 -0.11 0.00 -2.27 0.00 0.00 64.05 59.49 2d2w n THR 42 Cb 0.00 -0.52 0.03 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.12 -0.72 -0.85 6.98 0.00 -1.26 -4.96 120.51 118.58 2d2w n ALA 43 Ca 0.56 -1.75 0.08 0.00 0.00 0.00 0.00 53.44 52.33 2d2w n ALA 43 Cb 1.47 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 19.92 2d2w n ALA 43 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2d2w n ASP 44 N 1.67 3.72 -0.67 0.00 2.03 -1.26 -4.48 116.55 117.57 2d2w n ASP 44 Ca 0.12 -2.84 0.09 0.00 0.52 0.00 0.00 54.79 52.68 2d2w n ASP 44 Cb 0.61 -0.49 0.28 0.00 -0.72 0.00 0.00 41.12 40.80 2d2w n ASP 44 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2d2w n LYS 45 N -0.32 1.86 0.00 -0.67 2.85 -1.26 -3.65 118.16 116.97 2d2w n LYS 45 Ca 0.20 -1.31 0.00 0.00 -1.05 0.00 0.00 58.31 56.15 2d2w n LYS 45 Cb 0.81 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d2w n GLY 46 N 1.15 -0.00 0.16 2.58 0.00 -1.26 -4.84 105.19 102.98 2d2w n GLY 46 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.83 -3.36 115.95 117.44 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 0.84 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 2d2w h TRP 47 CO 0.00 0.08 0.00 0.00 -1.28 0.00 0.00 178.44 177.24 2d2w n GLN 48 N -2.91 0.00 0.00 0.12 0.00 -1.24 -0.93 117.38 112.41 2d2w n GLN 48 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.04 2d2w n GLN 48 Cb 0.58 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.95 2d2w n GLN 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2d2w n ASN 49 N 0.00 0.00 0.21 2.61 0.23 -1.26 -1.74 115.26 115.30 2d2w n ASN 49 Ca 0.00 0.35 0.08 0.00 -0.53 0.00 0.00 54.58 54.48 2d2w n ASN 49 Cb 0.00 -0.39 0.42 0.00 -2.08 0.00 0.00 39.78 37.73 2d2w n ASN 49 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2d2w h SER 50 N 0.00 0.00 0.29 0.53 0.87 -1.61 -2.58 113.55 111.04 2d2w h SER 50 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2d2w h SER 50 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2d2w h SER 50 CO 0.00 0.28 -0.14 0.40 -0.53 0.00 0.00 176.83 176.85 2d2w h ILE 51 N 0.00 0.66 -0.81 2.23 5.03 -0.18 0.45 117.51 124.90 2d2w h ILE 51 Ca -0.00 -0.75 0.08 0.00 -0.12 0.00 0.00 64.86 64.06 2d2w h ILE 51 Cb 0.78 1.02 -0.05 0.00 -3.03 0.00 0.00 36.82 35.53 2d2w h ILE 51 CO 0.04 0.14 0.53 -0.09 -0.68 0.00 0.00 178.15 178.08 2d2w h ARG 52 N -0.84 0.81 0.00 2.37 1.12 -1.72 0.24 114.38 116.37 2d2w h ARG 52 Ca -0.04 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.70 2d2w h ARG 52 Cb 0.52 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 2d2w h ARG 52 CO 0.06 0.54 -0.38 1.25 -3.11 0.00 0.00 179.97 178.33 2d2w h HIS 53 N 0.84 0.00 -0.15 2.20 2.76 -1.36 -2.99 115.15 116.45 2d2w h HIS 53 Ca 0.36 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.38 2d2w h HIS 53 Cb 0.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2d2w h HIS 53 CO -0.00 0.38 -0.55 -0.91 -1.30 0.00 0.00 177.93 175.55 2d2w h ASN 54 N 0.00 0.51 0.63 3.26 2.35 0.32 -2.62 115.58 120.04 2d2w h ASN 54 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2d2w h ASN 54 Cb 1.02 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2d2w h ASN 54 CO 0.05 0.96 0.00 0.18 -1.65 0.00 0.00 177.43 176.97 2d2w n LEU 55 N -3.94 0.65 -0.09 1.61 4.77 -0.49 -0.66 117.00 118.85 2d2w n LEU 55 Ca -0.03 0.68 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 2d2w n LEU 55 Cb 0.60 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2d2w n LEU 55 CO 0.46 -0.61 -0.22 0.28 -1.33 0.00 0.00 177.39 175.97 2d2w h SER 56 N 0.00 0.00 -0.31 -1.43 0.02 -1.51 -3.34 113.55 106.98 2d2w h SER 56 Ca 0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2d2w h SER 56 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2d2w h SER 56 CO 0.00 1.27 0.00 0.00 -1.14 0.00 0.00 176.83 176.96 2d2w n LEU 57 N -4.51 3.48 -4.95 5.07 -0.00 -1.14 -4.91 117.00 110.05 2d2w n LEU 57 Ca -0.23 -1.76 -0.24 0.00 -0.00 0.00 0.00 56.01 53.78 2d2w n LEU 57 Cb 0.58 -0.59 0.04 0.00 -0.00 0.00 0.00 43.42 43.45 2d2w n LEU 57 CO 0.22 0.45 0.44 0.20 -0.00 0.00 0.00 177.39 178.70 2d2w s ASN 58 N -0.43 5.38 0.17 1.45 0.02 0.17 -5.01 114.94 116.69 2d2w s ASN 58 Ca 0.29 0.31 0.22 0.00 -1.02 0.00 0.00 52.86 52.67 2d2w s ASN 58 Cb 0.22 -1.26 -0.03 0.00 0.02 0.00 0.00 41.25 40.20 2d2w s ASN 58 CO 0.09 -1.12 0.99 -1.14 0.02 0.00 0.00 177.10 175.94 2d2w n ARG 59 N -2.46 0.60 -3.10 -0.60 0.63 -1.26 -4.52 116.66 105.95 2d2w n ARG 59 Ca 0.06 0.08 -0.18 0.00 -0.92 0.00 0.00 57.85 56.89 2d2w n ARG 59 Cb 0.59 -1.79 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2d2w n TYR 60 N -2.60 0.67 -3.35 -0.14 0.18 -1.26 -4.96 117.16 105.70 2d2w n TYR 60 Ca -0.00 -3.70 -0.14 0.00 1.88 0.00 0.00 57.90 55.94 2d2w n TYR 60 Cb 0.55 -0.42 -0.08 0.00 -0.38 0.00 0.00 39.34 39.01 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2d2w s PHE 61 N -2.62 -0.66 0.65 -3.48 0.08 -1.26 -2.95 117.98 107.74 2d2w s PHE 61 Ca 0.39 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2d2w s PHE 61 Cb 0.36 -0.32 0.11 0.00 -0.57 0.00 0.00 43.02 42.60 2d2w s PHE 61 CO -0.07 -0.96 0.89 0.96 -0.10 0.00 0.00 175.22 175.93 2d2w s ILE 62 N 2.20 2.16 -0.12 0.64 -4.36 0.19 -4.57 121.20 117.34 2d2w s ILE 62 Ca 0.11 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.74 2d2w s ILE 62 Cb -0.13 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.22 2d2w s ILE 62 CO -0.25 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 174.20 2d2w s LYS 63 N -4.91 2.65 -0.31 0.37 1.02 -1.26 -1.60 119.74 115.70 2d2w s LYS 63 Ca 0.64 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 2d2w s LYS 63 Cb -0.06 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 2d2w s LYS 63 CO 0.42 -0.00 0.49 0.14 -0.92 0.00 0.00 175.35 175.48 2d2w s VAL 64 N 0.81 5.06 0.87 3.17 -7.23 -0.82 -4.94 120.40 117.32 2d2w s VAL 64 Ca -0.09 0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 60.49 2d2w s VAL 64 Cb -0.16 -3.88 0.12 0.00 0.56 0.00 0.00 36.38 33.02 2d2w s VAL 64 CO 0.00 -0.07 1.19 -2.16 -0.31 0.00 0.00 175.10 173.75 2d2w s PRO 65 N 2.32 1.45 0.00 4.82 0.04 -1.26 -3.98 135.00 138.39 2d2w s PRO 65 Ca 0.19 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2d2w s PRO 65 Cb -0.16 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2d2w s PRO 65 CO 0.12 -1.95 0.00 0.54 0.04 0.00 0.00 177.00 175.75 2d2w n ARG 66 N -3.55 0.00 -1.24 4.56 3.00 -1.26 -4.97 116.66 113.20 2d2w n ARG 66 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.79 2d2w n ARG 66 Cb 0.60 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.15 2d2w n ARG 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2d2w n SER 67 N -1.82 0.32 -1.19 0.55 7.64 -1.26 -5.00 113.62 112.86 2d2w n SER 67 Ca 0.00 -1.39 -0.06 0.00 1.01 0.00 0.00 58.87 58.43 2d2w n SER 67 Cb 0.00 -0.44 0.17 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.24 2.05 0.04 1.43 1.13 -1.26 -4.64 117.38 113.89 2d2w n GLN 68 Ca 0.09 -3.37 -0.22 0.00 -1.94 0.00 0.00 57.00 51.55 2d2w n GLN 68 Cb 0.30 -1.85 -0.14 0.00 0.11 0.00 0.00 30.24 28.66 2d2w n GLN 68 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2d2w h GLU 69 N 1.21 0.34 -6.39 -1.09 4.81 -1.97 -3.46 114.58 108.02 2d2w h GLU 69 Ca 0.20 -0.57 -0.55 0.00 -0.13 0.00 0.00 59.36 58.31 2d2w h GLU 69 Cb 1.43 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 2d2w h GLU 69 CO 0.39 1.28 -0.12 -1.21 -0.73 0.00 0.00 179.01 178.61 2d2w s GLU 70 N -2.57 3.83 -0.06 1.92 2.02 -1.26 -5.01 118.70 117.58 2d2w s GLU 70 Ca -0.19 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 54.86 2d2w s GLU 70 Cb 0.06 -2.72 -0.26 0.00 0.10 0.00 0.00 34.13 31.30 2d2w s GLU 70 CO 0.81 0.36 0.96 -1.00 0.02 0.00 0.00 175.26 176.41 2d2w h PRO 71 N 2.80 0.21 -1.00 0.39 0.13 -1.97 -3.42 132.00 129.14 2d2w h PRO 71 Ca -0.47 -0.28 -0.39 0.00 -0.87 0.00 0.00 66.00 63.99 2d2w h PRO 71 Cb 1.17 0.09 -0.27 0.00 0.13 0.00 0.00 31.00 32.13 2d2w h PRO 71 CO 0.68 1.05 -0.80 0.41 -0.23 0.00 0.00 178.00 179.12 2d2w n GLY 72 N 1.32 1.48 3.15 1.56 0.00 -1.26 -5.07 105.19 106.36 2d2w n GLY 72 Ca -0.11 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.29 0.23 0.00 1.61 2.47 -1.26 -5.16 119.74 117.34 2d2w s LYS 73 Ca 0.33 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 55.12 2d2w s LYS 73 Cb 0.21 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 2d2w s LYS 73 CO -0.17 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.47 2d2w n GLY 74 N 5.42 2.20 0.67 5.54 0.00 -1.26 -4.75 105.19 113.02 2d2w n GLY 74 Ca -0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 2d2w n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d2w n SER 75 N 0.00 -0.15 -3.71 1.61 3.41 -1.26 -5.02 113.62 108.50 2d2w n SER 75 Ca 0.00 -1.45 -0.14 0.00 -0.26 0.00 0.00 58.87 57.03 2d2w n SER 75 Cb 0.00 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2d2w s PHE 76 N 0.00 -0.29 0.47 7.33 2.19 -1.26 -4.65 117.98 121.78 2d2w s PHE 76 Ca 0.02 0.74 -0.06 0.00 0.33 0.00 0.00 56.93 57.96 2d2w s PHE 76 Cb 0.03 -0.05 -0.04 0.00 -1.31 0.00 0.00 43.02 41.64 2d2w s PHE 76 CO -0.01 -0.26 0.79 -1.58 1.83 0.00 0.00 175.22 176.00 2d2w s TRP 77 N 1.70 3.55 -0.02 10.12 0.52 0.21 -1.94 118.94 133.09 2d2w s TRP 77 Ca -0.05 0.88 -0.29 0.00 0.02 0.00 0.00 56.10 56.66 2d2w s TRP 77 Cb -0.11 -2.35 0.08 0.00 -1.15 0.00 0.00 33.47 29.93 2d2w s TRP 77 CO -0.08 -0.27 0.69 0.50 0.02 0.00 0.00 176.95 177.82 2d2w s ARG 78 N -4.60 1.06 0.13 4.98 3.52 -0.62 -0.85 118.95 122.57 2d2w s ARG 78 Ca 0.48 0.10 0.05 0.00 -0.13 0.00 0.00 55.73 56.23 2d2w s ARG 78 Cb -0.10 0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 2d2w s ARG 78 CO 0.43 -0.36 0.10 -1.50 -0.81 0.00 0.00 175.30 173.15 2d2w s ILE 79 N -1.73 4.41 0.28 4.11 2.07 -1.12 0.53 121.20 129.75 2d2w s ILE 79 Ca -0.08 -1.00 -0.30 0.00 -1.41 0.00 0.00 60.65 57.86 2d2w s ILE 79 Cb -0.00 -3.19 -0.12 0.00 0.13 0.00 0.00 42.46 39.27 2d2w s ILE 79 CO 0.04 -0.02 1.53 0.47 -1.91 0.00 0.00 174.94 175.06 2d2w n ASP 80 N -0.00 3.50 -0.06 4.50 9.92 -1.15 -4.79 116.55 128.47 2d2w n ASP 80 Ca -0.09 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.19 2d2w n ASP 80 Cb 0.53 -1.54 -0.12 0.00 -0.64 0.00 0.00 41.12 39.35 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 4.55 -0.00 0.00 -0.24 0.13 -1.97 0.19 132.00 134.66 2d2w h PRO 81 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2d2w h PRO 81 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d2w h PRO 81 CO 0.78 0.88 0.00 0.00 -0.23 0.00 0.00 178.00 179.42 2d2w n ALA 82 N -2.58 1.35 0.41 -0.56 0.00 -1.26 -1.08 120.51 116.79 2d2w n ALA 82 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2d2w n ALA 82 Cb 0.43 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.97 0.84 -0.08 0.00 7.64 -1.23 -4.59 113.62 114.24 2d2w n SER 83 Ca 0.01 -0.92 -0.08 0.00 1.01 0.00 0.00 58.87 58.88 2d2w n SER 83 Cb 0.12 0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.59 0.31 0.00 1.43 4.22 0.71 0.17 114.58 122.01 2d2w h GLU 84 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2d2w h GLU 84 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2d2w h GLU 84 CO 0.00 0.20 0.07 0.00 -2.18 0.00 0.00 179.01 177.10 2d2w h ALA 85 N 1.14 1.06 0.00 2.92 0.00 -1.81 -1.41 119.26 121.16 2d2w h ALA 85 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2d2w h ALA 85 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2d2w h ALA 85 CO -0.07 -0.06 -1.04 1.17 0.00 0.00 0.00 179.25 179.25 2d2w n LYS 86 N -2.82 0.51 0.04 0.00 4.81 -0.18 -3.86 118.16 116.68 2d2w n LYS 86 Ca -0.02 0.47 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 2d2w n LYS 86 Cb 0.12 -1.66 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 2d2w n LYS 86 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 2d2w h LEU 87 N -1.00 -1.03 -1.66 3.14 -0.00 -0.84 0.16 115.31 114.08 2d2w h LEU 87 Ca -0.19 0.14 0.35 0.00 -0.00 0.00 0.00 57.88 58.18 2d2w h LEU 87 Cb 0.95 0.42 -0.08 0.00 -0.00 0.00 0.00 40.66 41.94 2d2w h LEU 87 CO -0.11 -0.39 0.83 -0.37 -0.00 0.00 0.00 178.44 178.40 2d2w h VAL 88 N -0.47 0.36 -0.36 0.15 -1.51 -1.48 0.34 116.25 113.29 2d2w h VAL 88 Ca 0.07 -0.05 0.07 0.00 -1.23 0.00 0.00 66.70 65.55 2d2w h VAL 88 Cb 0.57 0.19 -0.06 0.00 -2.13 0.00 0.00 31.29 29.87 2d2w h VAL 88 CO -0.30 0.03 -0.02 -0.08 -1.23 0.00 0.00 177.57 175.97 2d2w h GLU 89 N 0.16 0.07 0.00 5.19 4.81 -0.79 0.49 114.58 124.51 2d2w h GLU 89 Ca 0.65 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 2d2w h GLU 89 Cb 2.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.53 2d2w h GLU 89 CO -0.19 0.05 0.00 0.37 -0.73 0.00 0.00 179.01 178.51 2d2w h GLN 90 N 0.07 0.00 0.00 1.92 4.15 -0.42 -3.12 115.11 117.71 2d2w h GLN 90 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2d2w h GLN 90 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2d2w h GLN 90 CO -0.31 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.59 2d2w n ALA 91 N -1.85 -0.07 -0.31 3.38 0.00 0.15 -3.81 120.51 118.00 2d2w n ALA 91 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2d2w n ALA 91 Cb 0.41 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.18 2d2w n ALA 91 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d2w h PHE 92 N 0.00 0.33 -2.19 0.00 0.04 -1.09 -3.39 116.94 110.63 2d2w h PHE 92 Ca 0.00 0.05 -0.16 0.00 2.80 0.00 0.00 57.97 60.67 2d2w h PHE 92 Cb 0.00 0.00 0.08 0.00 2.20 0.00 0.00 35.95 38.23 2d2w h PHE 92 CO 0.03 -0.28 0.03 0.54 -0.60 0.00 0.00 178.31 178.04 2d2w n ARG 93 N -5.28 -2.00 -3.11 1.51 5.12 -1.18 -5.06 116.66 106.67 2d2w n ARG 93 Ca 0.23 -0.69 -0.20 0.00 -1.93 0.00 0.00 57.85 55.26 2d2w n ARG 93 Cb 0.76 -0.66 0.06 0.00 -1.16 0.00 0.00 32.46 31.46 2d2w n ARG 93 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2d2w s LYS 94 N -3.97 2.25 -1.29 5.56 1.02 -1.26 -4.93 119.74 117.12 2d2w s LYS 94 Ca 0.28 -1.72 -0.15 0.00 0.02 0.00 0.00 55.97 54.41 2d2w s LYS 94 Cb -0.03 -2.59 0.12 0.00 -0.52 0.00 0.00 37.83 34.81 2d2w s LYS 94 CO 0.22 -0.91 1.72 -2.13 -0.92 0.00 0.00 175.35 173.33 2d2w n ARG 95 N -2.25 3.28 -2.48 1.68 0.63 -0.88 -4.80 116.66 111.84 2d2w n ARG 95 Ca 0.15 -3.43 -0.37 0.00 -0.92 0.00 0.00 57.85 53.28 2d2w n ARG 95 Cb 0.62 -3.22 0.01 0.00 0.45 0.00 0.00 32.46 30.33 2d2w n ARG 95 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2d2w n ARG 96 N 6.37 4.22 -3.49 -0.14 0.00 -1.26 -4.89 116.66 117.48 2d2w n ARG 96 Ca 0.44 -4.38 -0.16 0.00 -0.00 0.00 0.00 57.85 53.75 2d2w n ARG 96 Cb 0.42 -2.36 -0.05 0.00 0.00 0.00 0.00 32.46 30.47 2d2w n ARG 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2d2w s GLN 97 N -4.07 1.12 -0.54 -0.14 -1.52 -1.26 -5.11 119.66 108.14 2d2w s GLN 97 Ca 0.45 0.03 -0.20 0.00 -1.95 0.00 0.00 55.36 53.70 2d2w s GLN 97 Cb 0.29 0.53 0.07 0.00 -0.22 0.00 0.00 33.01 33.67 2d2w s GLN 97 CO -0.21 -0.40 0.69 1.03 -0.25 0.00 0.00 175.29 176.15 2d2w s ARG 98 N -1.98 3.12 0.00 2.91 1.81 -1.26 -5.03 118.95 118.53 2d2w s ARG 98 Ca -0.07 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2d2w s ARG 98 Cb -0.00 -4.14 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 2d2w s ARG 98 CO 0.03 -1.36 0.00 0.41 -0.68 0.00 0.00 175.30 173.70 2d2w n GLY 99 N 5.20 -0.31 0.07 -3.53 0.00 -1.26 -5.01 105.19 100.35 2d2w n GLY 99 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.78 0.54 1.61 3.14 -1.26 -5.31 118.33 117.83 2d2w n VAL 100 Ca 0.00 -0.30 0.06 0.00 -2.96 0.00 0.00 64.34 61.14 2d2w n VAL 100 Cb 0.00 -0.98 0.05 0.00 -1.06 0.00 0.00 33.84 31.85 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17