#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c s SER 2 N 0.00 5.56 0.51 1.61 0.15 -1.26 -5.08 113.70 115.19 2d8c s SER 2 Ca 0.00 -1.48 0.04 0.00 0.70 0.00 0.00 55.95 55.21 2d8c s SER 2 Cb 0.00 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2d8c s SER 2 CO 0.00 -0.50 0.21 -0.55 1.20 0.00 0.00 173.24 173.60 2d8c s SER 3 N 1.97 4.40 0.04 5.45 0.15 -1.26 -5.05 113.70 119.40 2d8c s SER 3 Ca 0.03 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2d8c s SER 3 Cb -0.22 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2d8c s SER 3 CO 0.02 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2d8c n GLY 4 N -1.47 -1.94 0.21 9.45 0.00 -1.26 -4.98 105.19 105.21 2d8c n GLY 4 Ca -0.08 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 2d8c n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d8c h SER 5 N 0.00 0.68 -2.99 1.61 0.87 -2.08 -3.42 113.55 108.23 2d8c h SER 5 Ca 0.00 -0.32 -0.56 0.00 -1.23 0.00 0.00 61.79 59.69 2d8c h SER 5 Cb 0.00 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2d8c h SER 5 CO 0.00 0.84 0.80 -0.55 -0.53 0.00 0.00 176.83 177.39 2d8c s SER 6 N -6.21 6.98 0.00 6.23 0.15 -1.26 -5.02 113.70 114.56 2d8c s SER 6 Ca -0.13 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.33 2d8c s SER 6 Cb 0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2d8c s SER 6 CO 0.79 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2d8c n GLY 7 N 3.51 -0.67 3.16 9.45 0.00 -1.26 -5.00 105.19 114.37 2d8c n GLY 7 Ca 0.12 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 2d8c n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d8c s MET 8 N 0.00 2.20 -0.02 1.61 0.00 -1.26 -5.02 119.30 116.81 2d8c s MET 8 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 55.69 54.07 2d8c s MET 8 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 34.83 31.30 2d8c s MET 8 CO 0.00 -0.96 -0.07 -0.51 0.00 0.00 0.00 175.02 173.48 2d8c s LEU 9 N 1.22 1.79 0.17 0.18 1.43 -1.26 -5.15 118.68 117.05 2d8c s LEU 9 Ca 0.04 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2d8c s LEU 9 Cb -0.22 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2d8c s LEU 9 CO -0.02 0.05 -0.13 -0.94 0.23 0.00 0.00 176.35 175.53 2d8c s SER 10 N 0.19 2.26 -0.08 2.29 1.04 -1.26 -4.56 113.70 113.58 2d8c s SER 10 Ca -0.02 -0.97 -0.00 0.00 0.48 0.00 0.00 55.95 55.43 2d8c s SER 10 Cb -0.07 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2d8c s SER 10 CO 0.00 -0.20 -0.05 0.00 0.98 0.00 0.00 173.24 173.97 2d8c s ALA 11 N -2.88 1.00 -0.10 5.32 0.00 -1.26 -5.03 121.76 118.81 2d8c s ALA 11 Ca 0.18 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 2d8c s ALA 11 Cb -0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 23.12 22.10 2d8c s ALA 11 CO 0.04 -0.31 0.85 -0.09 0.00 0.00 0.00 175.76 176.25 2d8c h ARG 12 N 7.93 0.11 -7.27 0.00 9.65 -2.05 -3.46 114.38 119.30 2d8c h ARG 12 Ca -0.28 -0.17 -0.52 0.00 -1.10 0.00 0.00 59.98 57.91 2d8c h ARG 12 Cb 1.14 0.06 0.17 0.00 -1.39 0.00 0.00 29.97 29.95 2d8c h ARG 12 CO 0.38 1.05 0.28 -0.08 2.80 0.00 0.00 179.97 184.40 2d8c s THR 13 N -2.43 2.44 -0.07 0.20 -1.32 -1.26 -4.97 115.64 108.23 2d8c s THR 13 Ca -0.17 0.15 0.13 0.00 -1.21 0.00 0.00 61.69 60.59 2d8c s THR 13 Cb -0.01 -2.39 0.24 0.00 -1.51 0.00 0.00 72.50 68.83 2d8c s THR 13 CO 0.74 -0.18 1.11 1.15 -2.21 0.00 0.00 174.62 175.24 2d8c n MET 14 N -3.79 0.63 0.17 7.08 0.00 -1.26 -4.70 117.12 115.26 2d8c n MET 14 Ca 0.11 -2.05 0.03 0.00 0.00 0.00 0.00 57.70 55.79 2d8c n MET 14 Cb 0.52 -0.87 0.30 0.00 0.00 0.00 0.00 33.22 33.16 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2d8c h LYS 15 N 0.38 0.00 0.00 3.17 1.57 -1.91 -3.38 116.57 116.40 2d8c h LYS 15 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2d8c h LYS 15 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 2d8c h LYS 15 CO 0.02 0.46 -1.21 -0.85 -0.57 0.00 0.00 179.45 177.29 2d8c n GLU 16 N -3.77 0.26 -1.78 3.15 0.28 -1.26 -3.87 120.64 113.65 2d8c n GLU 16 Ca -0.01 0.11 -0.02 0.00 -0.16 0.00 0.00 57.16 57.08 2d8c n GLU 16 Cb 0.51 -0.94 -0.01 0.00 1.43 0.00 0.00 31.44 32.44 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2d8c n VAL 17 N -3.72 -0.05 -0.02 3.84 3.14 -1.26 -4.60 118.33 115.66 2d8c n VAL 17 Ca -0.18 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.17 2d8c n VAL 17 Cb 0.50 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.99 2d8c n VAL 17 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2d8c n VAL 18 N -1.91 0.25 1.60 1.55 0.24 -1.26 -2.95 118.33 115.85 2d8c n VAL 18 Ca -0.02 -0.10 0.11 0.00 -2.04 0.00 0.00 64.34 62.29 2d8c n VAL 18 Cb 0.30 -0.66 0.53 0.00 -1.47 0.00 0.00 33.84 32.53 2d8c n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d8c n TYR 19 N -2.61 0.08 -0.43 6.34 4.01 -1.26 -1.15 117.16 122.14 2d8c n TYR 19 Ca -0.08 -0.04 -0.17 0.00 -0.16 0.00 0.00 57.90 57.45 2d8c n TYR 19 Cb 0.58 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.77 2d8c n TYR 19 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2d8c n TRP 20 N -0.20 -2.66 -3.97 -0.72 7.02 -1.26 -4.92 117.44 110.73 2d8c n TRP 20 Ca 0.17 -0.16 -0.23 0.00 -1.02 0.00 0.00 57.50 56.26 2d8c n TRP 20 Cb 0.23 -1.27 -0.06 0.00 -2.42 0.00 0.00 31.31 27.80 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d8c s SER 21 N -2.16 4.80 0.29 -0.99 1.04 -1.26 -4.39 113.70 111.03 2d8c s SER 21 Ca 0.37 -0.77 0.25 0.00 0.48 0.00 0.00 55.95 56.28 2d8c s SER 21 Cb -0.06 -0.71 1.03 0.00 0.10 0.00 0.00 66.02 66.37 2d8c s SER 21 CO 0.31 -0.40 1.74 1.55 0.98 0.00 0.00 173.24 177.42 2d8c h PRO 22 N 1.40 0.00 0.00 4.02 0.13 -1.89 -2.52 132.00 133.14 2d8c h PRO 22 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2d8c h PRO 22 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2d8c h PRO 22 CO 0.62 0.00 -1.72 1.63 -0.23 0.00 0.00 178.00 178.31 2d8c n LYS 23 N -2.32 0.64 -0.06 0.86 4.76 -1.26 -4.35 118.16 116.43 2d8c n LYS 23 Ca 0.02 -0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.32 2d8c n LYS 23 Cb 0.23 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2d8c h LYS 24 N 0.00 0.00 -1.22 1.97 1.63 -1.71 -3.28 116.57 113.95 2d8c h LYS 24 Ca -0.07 0.00 0.43 0.00 -0.85 0.00 0.00 60.65 60.16 2d8c h LYS 24 Cb 1.19 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.67 2d8c h LYS 24 CO 0.01 0.56 0.75 0.28 -3.45 0.00 0.00 179.45 177.60 2d8c h VAL 25 N -1.00 0.07 0.46 2.00 2.07 -1.68 0.23 116.25 118.40 2d8c h VAL 25 Ca -0.02 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2d8c h VAL 25 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2d8c h VAL 25 CO -0.01 0.01 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 2d8c h ALA 26 N 1.74 -0.61 -1.08 1.67 0.00 -1.76 -2.93 119.26 116.29 2d8c h ALA 26 Ca 0.84 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.85 2d8c h ALA 26 Cb 2.48 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 20.43 2d8c h ALA 26 CO -0.55 -0.72 0.72 -0.44 0.00 0.00 0.00 179.25 178.26 2d8c h ASP 27 N -0.87 0.32 0.40 0.00 3.32 -0.62 0.87 116.42 119.84 2d8c h ASP 27 Ca -0.06 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2d8c h ASP 27 Cb 0.57 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2d8c h ASP 27 CO 0.10 0.05 -0.30 -0.25 -1.72 0.00 0.00 179.24 177.12 2d8c h TRP 28 N 0.27 0.00 0.00 4.55 7.01 -1.22 -0.40 115.95 126.16 2d8c h TRP 28 Ca 0.59 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.53 2d8c h TRP 28 Cb 1.72 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 28.79 2d8c h TRP 28 CO -0.00 0.30 -0.24 -0.07 -2.79 0.00 0.00 178.44 175.64 2d8c h LEU 29 N 0.00 0.21 -1.14 0.65 3.38 0.88 -3.29 115.31 116.01 2d8c h LEU 29 Ca -0.00 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 57.10 2d8c h LEU 29 Cb 0.59 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2d8c h LEU 29 CO 0.04 0.97 -0.34 -0.07 0.09 0.00 0.00 178.44 179.14 2d8c h LEU 30 N -0.53 0.16 -2.51 1.67 3.38 -1.32 0.89 115.31 117.05 2d8c h LEU 30 Ca -0.03 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2d8c h LEU 30 Cb 1.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2d8c h LEU 30 CO 0.05 0.50 0.08 -0.08 0.09 0.00 0.00 178.44 179.08 2d8c h GLU 31 N 0.14 0.00 -0.12 1.13 4.57 -1.13 -0.10 114.58 119.07 2d8c h GLU 31 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2d8c h GLU 31 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2d8c h GLU 31 CO 0.05 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 2d8c n ASN 32 N -3.54 2.56 -2.41 1.04 3.02 -0.94 -4.98 115.26 110.01 2d8c n ASN 32 Ca -0.02 -2.41 -0.10 0.00 -0.03 0.00 0.00 54.58 52.02 2d8c n ASN 32 Cb 0.17 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2d8c n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8c n ALA 33 N -0.50 -1.17 -2.50 5.41 0.00 -0.05 -4.98 120.51 116.72 2d8c n ALA 33 Ca 0.10 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 2d8c n ALA 33 Cb 0.48 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 18.28 2d8c n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2d8c n MET 34 N -2.83 2.81 0.04 0.00 2.81 0.30 -4.83 117.12 115.43 2d8c n MET 34 Ca -0.16 -4.14 0.08 0.00 -1.81 0.00 0.00 57.70 51.67 2d8c n MET 34 Cb 0.60 -1.98 0.36 0.00 -0.71 0.00 0.00 33.22 31.49 2d8c n MET 34 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2d8c n PRO 35 N -0.39 0.06 0.20 0.03 -0.04 -1.26 -2.41 135.00 131.19 2d8c n PRO 35 Ca 0.31 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.16 2d8c n PRO 35 Cb 0.73 -1.61 0.31 0.00 -0.04 0.00 0.00 33.50 32.89 2d8c n PRO 35 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8c h GLU 36 N 0.00 0.00 0.00 0.54 9.09 -1.93 -2.99 114.58 119.29 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2d8c h GLU 36 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2d8c h GLU 36 CO 0.00 0.28 -0.84 0.66 0.05 0.00 0.00 179.01 179.16 2d8c n TYR 37 N -3.32 0.03 -0.32 2.06 4.01 -1.01 -4.24 117.16 114.38 2d8c n TYR 37 Ca 0.01 0.01 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 2d8c n TYR 37 Cb 0.52 -0.15 0.08 0.00 -0.31 0.00 0.00 39.34 39.48 2d8c n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d8c h GLU 39 N 1.16 -0.87 0.00 0.00 5.08 -1.74 1.39 114.58 119.60 2d8c h GLU 39 Ca 0.31 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 2d8c h GLU 39 Cb -0.13 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2d8c h GLU 39 CO -0.07 -0.58 -0.15 -1.00 -1.00 0.00 0.00 179.01 176.21 2d8c h PRO 40 N -0.91 0.00 -0.51 2.33 0.13 -1.78 -2.64 132.00 128.62 2d8c h PRO 40 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2d8c h PRO 40 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2d8c h PRO 40 CO -0.14 0.15 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 2d8c n LEU 41 N -3.35 4.35 -0.04 1.56 4.77 0.77 -4.59 117.00 120.47 2d8c n LEU 41 Ca -0.00 -2.53 -0.08 0.00 -0.03 0.00 0.00 56.01 53.36 2d8c n LEU 41 Cb 0.36 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2d8c n LEU 41 CO 0.31 0.76 0.82 1.05 -1.33 0.00 0.00 177.39 179.00 2d8c h GLU 42 N 3.24 -0.01 -0.74 3.23 4.11 0.22 -2.37 114.58 122.27 2d8c h GLU 42 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 2d8c h GLU 42 Cb 1.37 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.40 2d8c h GLU 42 CO 0.21 -0.01 0.36 0.72 0.07 0.00 0.00 179.01 180.36 2d8c n HIS 43 N -5.20 2.29 -3.56 2.06 8.25 -1.26 -4.66 115.22 113.13 2d8c n HIS 43 Ca -0.02 -1.74 -0.36 0.00 -0.26 0.00 0.00 57.72 55.34 2d8c n HIS 43 Cb 0.13 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 30.42 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2d8c s PHE 44 N -3.27 3.64 0.03 4.41 0.40 -0.89 -4.94 117.98 117.35 2d8c s PHE 44 Ca 0.52 0.85 0.03 0.00 -0.60 0.00 0.00 56.93 57.73 2d8c s PHE 44 Cb 0.45 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2d8c s PHE 44 CO 0.07 0.57 -0.03 0.95 0.70 0.00 0.00 175.22 177.48 2d8c s THR 45 N -1.27 3.93 0.30 0.64 -4.23 -1.26 -4.15 115.64 109.59 2d8c s THR 45 Ca 0.29 -0.78 0.22 0.00 -1.18 0.00 0.00 61.69 60.24 2d8c s THR 45 Cb -0.15 -2.77 0.34 0.00 1.34 0.00 0.00 72.50 71.26 2d8c s THR 45 CO 0.16 0.31 1.06 0.61 -0.54 0.00 0.00 174.62 176.21 2d8c n GLY 46 N 1.21 -0.57 0.12 3.99 0.00 -1.26 0.23 105.19 108.93 2d8c n GLY 46 Ca -0.14 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 2d8c n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 47 N 0.00 0.31 -0.12 1.61 5.75 -1.02 -2.30 115.11 119.34 2d8c h GLN 47 Ca 0.60 -0.18 -0.13 0.00 -0.15 0.00 0.00 58.65 58.78 2d8c h GLN 47 Cb 1.91 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.46 2d8c h GLN 47 CO -0.32 0.76 -0.48 -0.44 -2.65 0.00 0.00 178.83 175.69 2d8c h ASP 48 N -0.12 0.35 -0.03 -0.69 3.32 0.26 -2.46 116.42 117.05 2d8c h ASP 48 Ca 0.01 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2d8c h ASP 48 Cb 0.73 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2d8c h ASP 48 CO 0.04 0.78 0.01 0.25 -1.72 0.00 0.00 179.24 178.59 2d8c h LEU 49 N 0.26 0.04 -1.41 1.55 6.46 -0.54 -2.58 115.31 119.09 2d8c h LEU 49 Ca 0.01 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2d8c h LEU 49 Cb 0.95 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2d8c h LEU 49 CO 0.08 0.25 0.00 0.16 -0.62 0.00 0.00 178.44 178.31 2d8c h ILE 50 N -0.17 0.00 -0.20 4.05 3.07 -1.41 -2.29 117.51 120.56 2d8c h ILE 50 Ca 0.01 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2d8c h ILE 50 Cb 0.23 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2d8c h ILE 50 CO -0.00 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.69 2d8c n ASN 51 N -2.80 2.06 -4.77 2.16 3.02 -0.93 -4.86 115.26 109.14 2d8c n ASN 51 Ca 0.01 -2.19 -0.39 0.00 -0.03 0.00 0.00 54.58 51.98 2d8c n ASN 51 Cb 0.24 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 2d8c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d8c s LEU 52 N -0.91 4.41 0.11 3.41 1.43 -0.86 -5.03 118.68 121.23 2d8c s LEU 52 Ca 0.17 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2d8c s LEU 52 Cb 0.11 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2d8c s LEU 52 CO 0.07 0.13 -0.08 0.42 0.23 0.00 0.00 176.35 177.11 2d8c s THR 53 N -0.24 0.82 0.57 5.49 -4.23 -1.26 -5.00 115.64 111.79 2d8c s THR 53 Ca 0.29 -1.87 0.35 0.00 -1.18 0.00 0.00 61.69 59.28 2d8c s THR 53 Cb -0.18 -1.61 0.51 0.00 1.34 0.00 0.00 72.50 72.56 2d8c s THR 53 CO 0.16 -0.77 1.71 -0.61 -0.54 0.00 0.00 174.62 174.56 2d8c h GLN 54 N 3.10 0.00 -0.30 3.99 4.15 -1.96 0.86 115.11 124.95 2d8c h GLN 54 Ca -0.36 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.92 2d8c h GLN 54 Cb 1.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2d8c h GLN 54 CO 0.61 0.00 -0.38 0.93 -1.93 0.00 0.00 178.83 178.07 2d8c h GLU 55 N 0.00 0.69 0.00 1.69 4.39 -2.00 -2.87 114.58 116.48 2d8c h GLU 55 Ca 0.52 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2d8c h GLU 55 Cb 2.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.99 2d8c h GLU 55 CO -0.01 0.96 -0.20 -0.44 -1.16 0.00 0.00 179.01 178.17 2d8c h ASP 56 N 0.58 0.00 -0.57 1.42 5.19 0.43 -2.53 116.42 120.93 2d8c h ASP 56 Ca 0.05 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 2d8c h ASP 56 Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2d8c h ASP 56 CO 0.08 0.20 -0.04 -0.26 -3.12 0.00 0.00 179.24 176.09 2d8c h PHE 57 N 0.00 1.15 -0.86 4.55 -1.00 -1.36 -2.72 116.94 116.70 2d8c h PHE 57 Ca -0.00 -0.21 0.24 0.00 2.81 0.00 0.00 57.97 60.81 2d8c h PHE 57 Cb 0.35 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 2d8c h PHE 57 CO 0.00 1.03 0.61 0.87 -1.61 0.00 0.00 178.31 179.22 2d8c h LYS 58 N 0.95 0.05 -5.98 1.51 1.57 -1.43 -3.31 116.57 109.92 2d8c h LYS 58 Ca 0.16 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 2d8c h LYS 58 Cb 0.60 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.77 2d8c h LYS 58 CO 0.04 0.04 -0.71 -1.59 -0.57 0.00 0.00 179.45 176.66 2d8c s LYS 59 N -5.04 1.74 0.94 3.15 -2.85 -1.03 -4.96 119.74 111.69 2d8c s LYS 59 Ca -0.05 -1.86 -0.12 0.00 -1.00 0.00 0.00 55.97 52.94 2d8c s LYS 59 Cb 0.22 -1.67 0.16 0.00 -2.06 0.00 0.00 37.83 34.47 2d8c s LYS 59 CO 0.77 0.20 1.09 -1.25 0.10 0.00 0.00 175.35 176.26 2d8c s PRO 60 N -3.59 0.88 0.29 1.78 0.04 -1.26 -3.56 135.00 129.59 2d8c s PRO 60 Ca 0.31 0.68 0.08 0.00 0.04 0.00 0.00 61.00 62.11 2d8c s PRO 60 Cb -0.00 -1.78 0.45 0.00 0.04 0.00 0.00 34.50 33.21 2d8c s PRO 60 CO 0.15 -2.46 1.68 -1.00 0.04 0.00 0.00 177.00 175.41 2d8c h PRO 61 N -1.71 0.16 -5.96 0.56 0.13 -1.93 -3.48 132.00 119.78 2d8c h PRO 61 Ca -0.52 -0.08 -0.50 0.00 -0.87 0.00 0.00 66.00 64.03 2d8c h PRO 61 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.56 0.60 1.38 -0.51 -0.23 0.00 0.00 178.00 179.80 2d8c s LEU 62 N -8.09 3.31 -0.19 1.56 1.43 -1.23 -4.91 118.68 110.56 2d8c s LEU 62 Ca -0.04 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2d8c s LEU 62 Cb 0.13 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.84 2d8c s LEU 62 CO 0.77 -2.39 0.44 -0.47 0.23 0.00 0.00 176.35 174.92 2d8c s TYR 63 N 9.27 -0.74 -0.95 0.29 5.04 -1.25 -3.89 117.35 125.13 2d8c s TYR 63 Ca 0.71 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 2d8c s TYR 63 Cb -0.14 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.50 2d8c s TYR 63 CO 0.22 -0.43 0.00 0.54 -1.34 0.00 0.00 175.55 174.54 2d8c n ARG 64 N 4.80 -2.29 -0.29 4.97 1.74 -1.26 -4.81 116.66 119.53 2d8c n ARG 64 Ca -0.16 0.54 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 2d8c n ARG 64 Cb 0.53 -5.12 0.32 0.00 -1.02 0.00 0.00 32.46 27.16 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d8c h VAL 65 N 0.00 0.93 -4.67 1.55 2.07 -1.92 -3.44 116.25 110.76 2d8c h VAL 65 Ca -0.26 -0.29 -0.33 0.00 0.82 0.00 0.00 66.70 66.64 2d8c h VAL 65 Cb 1.18 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 2d8c h VAL 65 CO 0.31 0.15 -0.53 -0.55 0.02 0.00 0.00 177.57 176.97 2d8c s SER 66 N -5.86 0.80 -0.30 0.57 0.15 -1.26 -4.95 113.70 102.85 2d8c s SER 66 Ca -0.11 -1.53 0.02 0.00 0.70 0.00 0.00 55.95 55.04 2d8c s SER 66 Cb 0.21 0.47 0.43 0.00 -1.71 0.00 0.00 66.02 65.42 2d8c s SER 66 CO 0.79 -0.96 1.61 -0.24 1.20 0.00 0.00 173.24 175.64 2d8c n SER 67 N -0.84 3.60 -0.43 5.45 2.88 -1.26 -4.00 113.62 119.02 2d8c n SER 67 Ca 0.04 -3.05 0.07 0.00 -1.33 0.00 0.00 58.87 54.60 2d8c n SER 67 Cb 0.64 -0.73 0.15 0.00 -0.75 0.00 0.00 64.21 63.52 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d8c n ASP 68 N -0.55 1.80 -4.04 -3.46 8.00 -1.26 -4.97 116.55 112.06 2d8c n ASP 68 Ca 0.39 -3.26 -0.32 0.00 0.71 0.00 0.00 54.79 52.31 2d8c n ASP 68 Cb 1.24 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d8c n ASN 69 N -1.05 -3.27 -2.84 -2.24 3.02 -1.26 -0.18 115.26 107.44 2d8c n ASN 69 Ca 0.15 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.58 2d8c n ASN 69 Cb 0.70 -3.29 0.01 0.00 -0.61 0.00 0.00 39.78 36.60 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d8c n GLY 70 N -1.61 -0.51 0.07 7.41 0.00 -1.26 -4.90 105.19 104.38 2d8c n GLY 70 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2d8c n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 71 N -0.81 0.00 -0.79 1.61 5.75 -0.97 -3.15 115.11 116.75 2d8c h GLN 71 Ca -0.48 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.15 2d8c h GLN 71 Cb 1.34 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.76 2d8c h GLN 71 CO 0.54 0.07 -0.29 -2.13 -2.65 0.00 0.00 178.83 174.37 2d8c n ARG 72 N -4.66 -0.17 0.33 1.69 0.63 -1.26 -0.29 116.66 112.94 2d8c n ARG 72 Ca -0.06 1.22 -0.16 0.00 -0.92 0.00 0.00 57.85 57.94 2d8c n ARG 72 Cb 0.21 -1.82 -0.08 0.00 0.45 0.00 0.00 32.46 31.22 2d8c n ARG 72 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2d8c h LEU 73 N 0.00 -0.73 -1.08 6.15 5.85 -1.95 -1.59 115.31 121.96 2d8c h LEU 73 Ca 0.29 -0.02 0.36 0.00 0.84 0.00 0.00 57.88 59.36 2d8c h LEU 73 Cb 0.49 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.56 2d8c h LEU 73 CO -0.79 -0.39 0.61 -0.07 -0.34 0.00 0.00 178.44 177.46 2d8c h LEU 74 N -1.09 0.42 -0.20 2.25 3.38 -0.80 0.82 115.31 120.10 2d8c h LEU 74 Ca -0.09 0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 2d8c h LEU 74 Cb 0.70 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.63 2d8c h LEU 74 CO 0.15 -0.22 -0.64 -0.78 0.09 0.00 0.00 178.44 177.04 2d8c h ASP 75 N 0.20 0.91 0.23 -0.43 3.58 -0.51 0.86 116.42 121.26 2d8c h ASP 75 Ca 0.77 -0.59 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 2d8c h ASP 75 Cb 1.96 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2d8c h ASP 75 CO -0.61 1.35 -0.29 0.24 -2.88 0.00 0.00 179.24 177.05 2d8c h MET 76 N 0.53 0.10 0.12 0.28 2.86 0.15 -3.13 114.93 115.84 2d8c h MET 76 Ca -0.02 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.34 2d8c h MET 76 Cb 1.27 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2d8c h MET 76 CO 0.14 0.38 -1.21 0.82 1.06 0.00 0.00 176.91 178.10 2d8c h ILE 77 N 0.09 1.19 -0.96 -1.22 2.04 -0.49 -3.34 117.51 114.82 2d8c h ILE 77 Ca 0.01 -2.45 0.30 0.00 1.00 0.00 0.00 64.86 63.73 2d8c h ILE 77 Cb 0.56 2.87 -0.16 0.00 -0.74 0.00 0.00 36.82 39.34 2d8c h ILE 77 CO 0.04 0.70 0.30 -0.08 0.00 0.00 0.00 178.15 179.11 2d8c h GLU 78 N -0.33 0.12 -0.12 2.37 4.22 -0.77 1.44 114.58 121.50 2d8c h GLU 78 Ca -0.25 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 2d8c h GLU 78 Cb 1.72 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2d8c h GLU 78 CO 0.09 0.08 -0.20 0.00 -2.18 0.00 0.00 179.01 176.80 2d8c h THR 79 N 0.12 1.20 -0.02 0.32 1.03 -1.68 -1.61 112.91 112.27 2d8c h THR 79 Ca 0.67 -0.93 -0.06 0.00 -0.01 0.00 0.00 66.41 66.08 2d8c h THR 79 Cb 1.51 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 69.91 2d8c h THR 79 CO -0.75 0.28 -0.27 -0.07 -0.01 0.00 0.00 175.52 174.70 2d8c h LEU 80 N 0.19 0.04 0.00 0.00 3.38 0.19 -3.05 115.31 116.05 2d8c h LEU 80 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2d8c h LEU 80 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2d8c h LEU 80 CO 0.03 0.31 -0.16 0.11 0.09 0.00 0.00 178.44 178.82 2d8c h LYS 81 N 0.03 0.00 -0.90 1.13 6.56 -0.95 -3.21 116.57 119.22 2d8c h LYS 81 Ca 0.00 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.94 2d8c h LYS 81 Cb 0.50 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.03 2d8c h LYS 81 CO 0.04 0.00 0.53 0.00 -2.06 0.00 0.00 179.45 177.96 2d8c n MET 82 N -4.65 -0.04 -0.05 3.15 0.00 -0.66 0.24 117.12 115.11 2d8c n MET 82 Ca -0.02 1.05 -0.15 0.00 0.00 0.00 0.00 57.70 58.58 2d8c n MET 82 Cb 0.08 -1.95 -0.07 0.00 0.00 0.00 0.00 33.22 31.28 2d8c n MET 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2d8c h GLU 83 N 0.00 0.51 -7.20 3.17 4.39 -1.67 -3.46 114.58 110.33 2d8c h GLU 83 Ca 0.68 -0.35 -0.45 0.00 0.34 0.00 0.00 59.36 59.58 2d8c h GLU 83 Cb 1.95 0.05 0.20 0.00 -0.10 0.00 0.00 28.75 30.85 2d8c h GLU 83 CO -0.51 0.96 0.07 -1.58 -1.16 0.00 0.00 179.01 176.78 2d8c s HIS 84 N -3.96 1.52 -1.04 4.33 2.46 0.65 -4.90 115.29 114.36 2d8c s HIS 84 Ca -0.13 1.22 -0.19 0.00 0.47 0.00 0.00 55.06 56.43 2d8c s HIS 84 Cb 0.06 -3.15 0.10 0.00 -0.13 0.00 0.00 32.58 29.47 2d8c s HIS 84 CO 0.81 -3.58 1.35 -1.01 -2.47 0.00 0.00 174.74 169.84 2d8c s HIS 85 N -2.57 2.93 -0.06 3.88 3.76 -1.26 -4.96 115.29 117.01 2d8c s HIS 85 Ca 0.68 -1.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.27 2d8c s HIS 85 Cb -0.24 -4.48 0.02 0.00 1.11 0.00 0.00 32.58 28.99 2d8c s HIS 85 CO 0.63 -1.66 -0.10 -1.64 -0.85 0.00 0.00 174.74 171.11 2d8c s MET 86 N 3.48 1.46 -1.05 1.40 -1.94 -1.26 -5.08 119.30 116.30 2d8c s MET 86 Ca 0.41 -0.32 -0.19 0.00 -1.71 0.00 0.00 55.69 53.87 2d8c s MET 86 Cb -0.02 -1.26 0.10 0.00 2.01 0.00 0.00 34.83 35.66 2d8c s MET 86 CO -0.06 -0.02 1.37 -2.00 -0.01 0.00 0.00 175.02 174.30 2d8c s GLU 87 N 0.78 3.72 0.05 2.03 -6.30 -1.26 -4.90 118.70 112.83 2d8c s GLU 87 Ca -0.13 -1.68 -0.28 0.00 -2.50 0.00 0.00 54.97 50.38 2d8c s GLU 87 Cb -0.15 -5.18 0.10 0.00 0.00 0.00 0.00 34.13 28.89 2d8c s GLU 87 CO 0.02 -2.00 1.17 0.00 0.02 0.00 0.00 175.26 174.48 2d8c s ALA 88 N 3.56 -2.04 -1.42 6.30 0.00 -1.26 -5.00 121.76 121.89 2d8c s ALA 88 Ca 0.42 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 2d8c s ALA 88 Cb -0.02 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2d8c s ALA 88 CO -0.06 -1.07 0.50 0.72 0.00 0.00 0.00 175.76 175.86 2d8c n HIS 89 N -0.56 -1.72 -0.99 0.00 8.25 -1.26 -4.87 115.22 114.07 2d8c n HIS 89 Ca -0.06 0.77 -0.35 0.00 -0.26 0.00 0.00 57.72 57.83 2d8c n HIS 89 Cb 0.61 -3.78 0.09 0.00 1.12 0.00 0.00 29.99 28.03 2d8c n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d8c n LYS 90 N -4.39 -0.05 -3.76 -0.41 4.01 -1.26 -5.02 118.16 107.27 2d8c n LYS 90 Ca -0.27 0.02 -0.13 0.00 -0.51 0.00 0.00 58.31 57.43 2d8c n LYS 90 Cb 0.66 -1.67 -0.14 0.00 -0.51 0.00 0.00 35.03 33.38 2d8c n LYS 90 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2d8c s ASN 91 N -1.64 -0.16 0.24 4.39 4.22 -1.26 -5.13 114.94 115.60 2d8c s ASN 91 Ca 0.56 0.36 -0.30 0.00 -2.14 0.00 0.00 52.86 51.35 2d8c s ASN 91 Cb -0.26 0.28 -0.10 0.00 1.28 0.00 0.00 41.25 42.44 2d8c s ASN 91 CO 0.67 -0.13 1.51 -0.55 -2.04 0.00 0.00 177.10 176.56 2d8c s SER 92 N 0.96 6.56 0.22 3.54 0.15 -1.26 -5.01 113.70 118.85 2d8c s SER 92 Ca -0.07 2.74 0.05 0.00 0.70 0.00 0.00 55.95 59.36 2d8c s SER 92 Cb -0.09 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2d8c s SER 92 CO -0.05 -0.79 0.30 -0.83 1.20 0.00 0.00 173.24 173.07 2d8c s GLY 93 N 0.56 1.39 0.00 9.45 0.00 -1.26 -4.99 107.32 112.47 2d8c s GLY 93 Ca 0.63 -1.21 0.14 0.00 0.00 0.00 0.00 44.72 44.28 2d8c s GLY 93 CO 0.42 -1.23 1.43 -1.55 0.00 0.00 0.00 173.10 172.17 2d8c n PRO 94 N -1.10 0.09 -4.07 2.90 -0.04 -1.26 -4.72 135.00 126.81 2d8c n PRO 94 Ca -0.08 0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 2d8c n PRO 94 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2d8c n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8c s SER 95 N -2.81 5.41 0.24 3.54 0.15 -1.26 -5.06 113.70 113.91 2d8c s SER 95 Ca 0.10 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 2d8c s SER 95 Cb 0.10 -1.41 -0.15 0.00 -1.71 0.00 0.00 66.02 62.84 2d8c s SER 95 CO 0.24 0.16 0.98 -0.24 1.20 0.00 0.00 173.24 175.58 2d8c n SER 96 N 0.37 0.93 0.00 5.45 2.88 -1.26 -5.16 113.62 116.83 2d8c n SER 96 Ca -0.09 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2d8c n SER 96 Cb 0.52 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42