#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkw s GLU 2 N 0.00 0.84 -0.06 0.03 2.56 -1.26 -4.69 118.70 116.11 3dkw s GLU 2 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.97 54.73 3dkw s GLU 2 Cb 0.00 -0.89 0.03 0.00 2.00 0.00 0.00 34.13 35.27 3dkw s GLU 2 CO 0.00 -0.11 0.35 -0.59 -0.56 0.00 0.00 175.26 174.35 3dkw s PHE 3 N 1.06 -0.29 0.10 5.30 -0.12 -1.26 -5.10 117.98 117.68 3dkw s PHE 3 Ca -0.09 0.56 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 3dkw s PHE 3 Cb -0.14 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 3dkw s PHE 3 CO -0.01 -0.34 0.00 1.04 -0.05 0.00 0.00 175.22 175.86 3dkw n GLN 4 N 1.79 -2.45 -0.30 1.99 3.00 -1.26 -4.87 117.38 115.28 3dkw n GLN 4 Ca -0.19 2.00 0.09 0.00 -0.01 0.00 0.00 57.00 58.89 3dkw n GLN 4 Cb 0.57 -1.87 0.25 0.00 0.00 0.00 0.00 30.24 29.18 3dkw n GLN 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3dkw n ARG 5 N 0.78 2.34 0.10 -1.09 1.74 -1.26 -4.19 116.66 115.08 3dkw n ARG 5 Ca 0.00 -2.02 -0.04 0.00 -0.77 0.00 0.00 57.85 55.01 3dkw n ARG 5 Cb 0.00 -1.45 0.12 0.00 -1.02 0.00 0.00 32.46 30.11 3dkw n ARG 5 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3dkw h VAL 6 N 3.27 1.42 0.00 1.55 3.04 -2.01 -2.89 116.25 120.63 3dkw h VAL 6 Ca 0.00 -2.12 -0.13 0.00 -1.01 0.00 0.00 66.70 63.44 3dkw h VAL 6 Cb 0.77 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 3dkw h VAL 6 CO 0.01 0.62 -0.64 0.45 -1.01 0.00 0.00 177.57 177.00 3dkw h HIS 7 N 0.11 0.00 0.01 3.17 3.86 -1.92 -3.29 115.15 117.08 3dkw h HIS 7 Ca -0.01 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.99 3dkw h HIS 7 Cb 1.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 3dkw h HIS 7 CO 0.01 0.64 -0.93 0.37 0.86 0.00 0.00 177.93 178.88 3dkw h GLN 8 N 0.00 0.26 -0.06 2.45 5.75 -1.78 -3.31 115.11 118.42 3dkw h GLN 8 Ca -0.01 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 58.08 3dkw h GLN 8 Cb 1.38 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 3dkw h GLN 8 CO 0.08 1.02 -0.50 0.37 -2.65 0.00 0.00 178.83 177.15 3dkw h GLN 9 N 0.14 0.16 -0.05 1.69 5.75 -1.58 -2.91 115.11 118.31 3dkw h GLN 9 Ca -0.06 -0.09 -0.15 0.00 -0.15 0.00 0.00 58.65 58.20 3dkw h GLN 9 Cb 1.57 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.12 3dkw h GLN 9 CO 0.15 0.63 -0.64 -0.07 -2.65 0.00 0.00 178.83 176.25 3dkw h LEU 10 N 0.13 0.24 -0.75 -2.39 3.38 -1.67 -3.10 115.31 111.15 3dkw h LEU 10 Ca 0.00 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3dkw h LEU 10 Cb 0.93 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3dkw h LEU 10 CO 0.07 0.82 -0.51 -0.07 0.09 0.00 0.00 178.44 178.84 3dkw h LEU 11 N 0.15 0.00 -2.18 1.67 3.38 -1.60 -3.09 115.31 113.64 3dkw h LEU 11 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dkw h LEU 11 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dkw h LEU 11 CO 0.10 0.51 0.01 -0.61 0.09 0.00 0.00 178.44 178.54 3dkw h GLN 12 N 0.00 0.00 0.00 1.13 4.15 -1.43 -1.13 115.11 117.83 3dkw h GLN 12 Ca -0.01 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 3dkw h GLN 12 Cb 1.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3dkw h GLN 12 CO 0.07 0.00 -0.69 0.66 -1.93 0.00 0.00 178.83 176.93 3dkw h SER 13 N 0.00 0.00 -3.99 -0.69 4.64 -1.66 -3.40 113.55 108.44 3dkw h SER 13 Ca 0.01 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3dkw h SER 13 Cb 0.03 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.17 3dkw h SER 13 CO -0.00 0.69 0.45 -2.28 -0.87 0.00 0.00 176.83 174.82 3dkw s HIS 14 N -3.08 3.04 0.28 4.77 5.65 -0.43 -4.96 115.29 120.56 3dkw s HIS 14 Ca 0.01 1.58 0.05 0.00 0.25 0.00 0.00 55.06 56.95 3dkw s HIS 14 Cb 0.10 -3.25 0.39 0.00 -1.18 0.00 0.00 32.58 28.65 3dkw s HIS 14 CO 0.77 -1.09 1.67 1.12 -0.65 0.00 0.00 174.74 176.56 3dkw h HIS 15 N 2.17 0.36 0.00 3.88 2.07 -1.88 -2.86 115.15 118.90 3dkw h HIS 15 Ca -0.49 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 3dkw h HIS 15 Cb 1.23 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.13 3dkw h HIS 15 CO 0.55 0.68 0.00 1.28 -3.07 0.00 0.00 177.93 177.37 3dkw n LEU 16 N -4.02 0.00 -0.08 6.12 4.77 -1.26 -3.08 117.00 119.45 3dkw n LEU 16 Ca -0.02 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 3dkw n LEU 16 Cb 0.49 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3dkw n LEU 16 CO 0.43 -0.03 0.36 0.49 -1.33 0.00 0.00 177.39 177.31 3dkw n PHE 17 N -1.13 0.00 -0.05 -1.77 3.01 -1.10 -4.84 117.46 111.59 3dkw n PHE 17 Ca 0.15 -0.27 -0.15 0.00 1.01 0.00 0.00 57.45 58.19 3dkw n PHE 17 Cb 0.13 -0.04 -0.13 0.00 -0.01 0.00 0.00 39.48 39.43 3dkw n PHE 17 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3dkw h GLU 18 N 0.00 0.06 0.00 -1.08 5.08 -1.44 -3.35 114.58 113.85 3dkw h GLU 18 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3dkw h GLU 18 Cb 0.90 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3dkw h GLU 18 CO 0.00 1.03 -0.18 -1.00 -1.00 0.00 0.00 179.01 177.86 3dkw h PRO 19 N -0.87 0.00 -6.89 2.33 0.13 -1.89 -3.45 132.00 121.37 3dkw h PRO 19 Ca -0.02 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.60 3dkw h PRO 19 Cb 1.10 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.27 3dkw h PRO 19 CO 0.03 0.18 0.52 -0.51 -0.23 0.00 0.00 178.00 177.99 3dkw s LEU 20 N -6.68 4.34 0.34 1.56 1.43 -1.26 -5.02 118.68 113.39 3dkw s LEU 20 Ca 0.01 2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 55.33 3dkw s LEU 20 Cb 0.10 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3dkw s LEU 20 CO 0.62 -0.49 0.79 -0.94 0.23 0.00 0.00 176.35 176.56 3dkw s SER 21 N -0.94 6.83 0.52 2.29 1.04 -1.26 -4.87 113.70 117.31 3dkw s SER 21 Ca 0.52 1.39 0.32 0.00 0.48 0.00 0.00 55.95 58.65 3dkw s SER 21 Cb -0.33 -2.42 1.46 0.00 0.10 0.00 0.00 66.02 64.84 3dkw s SER 21 CO 0.42 -0.23 1.85 -0.65 0.98 0.00 0.00 173.24 175.61 3dkw h PRO 22 N 2.24 0.05 -0.36 4.02 0.11 -1.96 0.23 132.00 136.33 3dkw h PRO 22 Ca -0.48 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3dkw h PRO 22 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dkw h PRO 22 CO 0.64 0.03 -0.23 0.28 -0.21 0.00 0.00 178.00 178.52 3dkw h VAL 23 N 0.05 1.29 0.00 3.15 2.07 -2.00 -1.46 116.25 119.35 3dkw h VAL 23 Ca 0.49 -1.37 -0.19 0.00 0.82 0.00 0.00 66.70 66.46 3dkw h VAL 23 Cb 1.87 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 3dkw h VAL 23 CO -0.04 0.45 -0.85 1.56 0.02 0.00 0.00 177.57 178.72 3dkw h GLN 24 N 0.57 0.12 0.00 1.57 4.20 -1.06 -3.17 115.11 117.34 3dkw h GLN 24 Ca 0.07 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3dkw h GLN 24 Cb 0.79 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3dkw h GLN 24 CO 0.06 0.89 -0.53 -0.07 -0.67 0.00 0.00 178.83 178.52 3dkw h LEU 25 N 0.06 0.00 -0.83 1.46 3.38 -0.76 -2.79 115.31 115.83 3dkw h LEU 25 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3dkw h LEU 25 Cb 1.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3dkw h LEU 25 CO 0.12 0.53 -0.57 -0.61 0.09 0.00 0.00 178.44 178.00 3dkw h GLN 26 N 0.00 0.05 0.00 1.13 4.15 -1.24 -1.54 115.11 117.67 3dkw h GLN 26 Ca -0.01 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3dkw h GLN 26 Cb 0.96 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 3dkw h GLN 26 CO 0.07 0.61 -0.45 1.49 -1.93 0.00 0.00 178.83 178.62 3dkw h GLU 27 N 0.04 0.00 0.04 1.69 4.81 -1.53 -2.42 114.58 117.21 3dkw h GLU 27 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 3dkw h GLU 27 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3dkw h GLU 27 CO 0.08 0.45 -1.02 1.25 -0.73 0.00 0.00 179.01 179.03 3dkw h LEU 28 N 0.00 0.48 -0.17 1.64 5.85 -1.20 -3.20 115.31 118.71 3dkw h LEU 28 Ca -0.00 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 3dkw h LEU 28 Cb 1.21 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3dkw h LEU 28 CO 0.06 1.24 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.23 3dkw h LEU 29 N 0.17 0.00 -0.88 2.25 3.38 -1.28 -3.17 115.31 115.77 3dkw h LEU 29 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3dkw h LEU 29 Cb 1.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 3dkw h LEU 29 CO 0.17 0.10 -0.51 0.00 0.09 0.00 0.00 178.44 178.29 3dkw h ALA 30 N 1.90 1.03 -0.60 1.53 0.00 -1.43 -2.84 119.26 118.86 3dkw h ALA 30 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dkw h ALA 30 Cb 1.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dkw h ALA 30 CO 0.01 0.64 0.00 0.45 0.00 0.00 0.00 179.25 180.36 3dkw n SER 31 N -3.75 5.01 -4.74 0.00 2.88 -1.20 -4.67 113.62 107.15 3dkw n SER 31 Ca -0.01 -2.63 -0.26 0.00 -1.33 0.00 0.00 58.87 54.63 3dkw n SER 31 Cb 0.56 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 3dkw n SER 31 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3dkw s SER 32 N -0.94 5.23 -0.01 -3.46 1.04 -1.07 -4.18 113.70 110.30 3dkw s SER 32 Ca 0.51 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.75 3dkw s SER 32 Cb 0.36 -1.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.19 3dkw s SER 32 CO 0.21 0.08 -0.12 -0.62 0.98 0.00 0.00 173.24 173.76 3dkw s ASP 33 N -3.04 1.45 0.34 7.02 2.15 -1.15 -4.96 116.67 118.48 3dkw s ASP 33 Ca 0.30 -0.23 -0.28 0.00 0.43 0.00 0.00 52.55 52.76 3dkw s ASP 33 Cb -0.10 -0.16 -0.09 0.00 -0.30 0.00 0.00 42.92 42.27 3dkw s ASP 33 CO 0.21 0.14 1.21 -0.22 -0.17 0.00 0.00 175.17 176.35 3dkw s LEU 34 N -0.34 4.37 -0.07 -1.34 2.96 -1.26 -2.15 118.68 120.85 3dkw s LEU 34 Ca 0.05 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.46 3dkw s LEU 34 Cb -0.05 -3.78 -0.00 0.00 0.50 0.00 0.00 46.19 42.86 3dkw s LEU 34 CO -0.00 -0.49 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.63 3dkw s VAL 35 N -1.24 1.80 -0.34 1.68 1.01 -0.71 -4.95 120.40 117.65 3dkw s VAL 35 Ca 0.51 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3dkw s VAL 35 Cb -0.35 -1.55 0.11 0.00 0.00 0.00 0.00 36.38 34.58 3dkw s VAL 35 CO 0.45 0.50 0.11 0.20 0.00 0.00 0.00 175.10 176.36 3dkw s ASN 36 N 0.22 4.18 -0.01 3.32 0.01 -1.26 -2.35 114.94 119.05 3dkw s ASN 36 Ca -0.12 -1.96 0.04 0.00 -0.71 0.00 0.00 52.86 50.10 3dkw s ASN 36 Cb -0.16 -1.11 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 3dkw s ASN 36 CO 0.06 -0.38 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.41 3dkw s LEU 37 N 1.19 3.01 0.00 0.60 1.43 -1.19 -5.08 118.68 118.63 3dkw s LEU 37 Ca 0.11 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3dkw s LEU 37 Cb -0.19 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3dkw s LEU 37 CO -0.16 0.30 0.00 0.47 0.23 0.00 0.00 176.35 177.19 3dkw n ASP 38 N 1.76 0.00 -4.69 2.29 8.00 -1.26 -2.96 116.55 119.69 3dkw n ASP 38 Ca -0.16 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 3dkw n ASP 38 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3dkw n ASP 38 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dkw s LYS 39 N -1.26 4.35 0.00 -1.24 2.20 -1.26 -2.86 119.74 119.67 3dkw s LYS 39 Ca 0.00 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3dkw s LYS 39 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3dkw s LYS 39 CO 0.00 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 3dkw n GLY 40 N 3.39 0.54 3.76 5.54 0.00 -0.98 -5.06 105.19 112.38 3dkw n GLY 40 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3dkw n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s ALA 41 N -2.23 3.37 -0.01 4.61 0.00 -1.13 -4.88 121.76 121.49 3dkw s ALA 41 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3dkw s ALA 41 Cb 0.00 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 3dkw s ALA 41 CO 0.00 -0.14 0.46 0.71 0.00 0.00 0.00 175.76 176.79 3dkw s TYR 42 N -1.21 3.70 -0.16 0.00 1.51 -1.26 -2.80 117.35 117.13 3dkw s TYR 42 Ca 0.45 1.04 -0.24 0.00 -1.01 0.00 0.00 57.07 57.32 3dkw s TYR 42 Cb -0.31 -2.40 -0.21 0.00 -0.11 0.00 0.00 41.96 38.94 3dkw s TYR 42 CO 0.39 0.53 0.49 0.28 -1.11 0.00 0.00 175.55 176.13 3dkw h VAL 43 N 3.89 1.30 -2.27 0.71 2.07 -1.84 -3.48 116.25 116.63 3dkw h VAL 43 Ca -0.49 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 64.86 3dkw h VAL 43 Cb 1.21 2.62 -0.23 0.00 -1.52 0.00 0.00 31.29 33.36 3dkw h VAL 43 CO 0.65 0.44 -0.10 0.72 0.02 0.00 0.00 177.57 179.30 3dkw s PHE 44 N -2.22 -0.85 0.33 1.57 -0.71 -1.25 -5.01 117.98 109.84 3dkw s PHE 44 Ca -0.21 1.77 -0.01 0.00 -1.04 0.00 0.00 56.93 57.45 3dkw s PHE 44 Cb 0.00 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3dkw s PHE 44 CO 0.59 -0.44 0.55 1.03 -1.34 0.00 0.00 175.22 175.61 3dkw s ARG 45 N 1.41 3.52 0.02 1.99 0.52 -1.26 -1.54 118.95 123.60 3dkw s ARG 45 Ca -0.09 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 3dkw s ARG 45 Cb -0.06 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 3dkw s ARG 45 CO -0.15 0.16 1.18 -1.14 0.02 0.00 0.00 175.30 175.37 3dkw s GLN 46 N -4.14 4.42 0.00 3.54 0.74 -1.25 -2.91 119.66 120.06 3dkw s GLN 46 Ca 0.41 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.53 3dkw s GLN 46 Cb -0.10 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.59 3dkw s GLN 46 CO 0.35 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.21 3dkw n GLY 47 N 3.23 1.83 3.78 2.59 0.00 -1.21 -5.03 105.19 110.38 3dkw n GLY 47 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3dkw n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkw s GLU 48 N -0.07 3.96 0.27 1.61 2.02 -1.15 -4.73 118.70 120.61 3dkw s GLU 48 Ca 0.00 1.68 -0.30 0.00 0.02 0.00 0.00 54.97 56.37 3dkw s GLU 48 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 34.13 31.63 3dkw s GLU 48 CO 0.00 -0.35 1.42 -2.14 0.02 0.00 0.00 175.26 174.20 3dkw s PRO 49 N -2.57 4.28 -0.04 0.39 0.02 -1.26 -0.65 135.00 135.17 3dkw s PRO 49 Ca 0.60 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.62 3dkw s PRO 49 Cb -0.26 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 3dkw s PRO 49 CO 0.32 -0.39 1.12 0.00 -0.33 0.00 0.00 177.00 177.72 3dkw s ALA 50 N -0.23 3.40 0.00 -1.55 0.00 0.63 -4.73 121.76 119.29 3dkw s ALA 50 Ca 0.57 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3dkw s ALA 50 Cb -0.42 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3dkw s ALA 50 CO 0.46 -0.59 0.00 0.72 0.00 0.00 0.00 175.76 176.35 3dkw n HIS 51 N 4.75 0.00 -3.70 0.00 8.25 -1.26 -4.87 115.22 118.38 3dkw n HIS 51 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 3dkw n HIS 51 Cb 0.48 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.50 3dkw n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dkw s ALA 52 N -0.77 -1.23 0.19 -1.41 0.00 -1.26 -1.08 121.76 116.20 3dkw s ALA 52 Ca 0.00 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 3dkw s ALA 52 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 3dkw s ALA 52 CO 0.00 -0.24 0.40 -0.59 0.00 0.00 0.00 175.76 175.33 3dkw s PHE 53 N 0.12 3.48 0.11 0.00 -0.71 -1.00 -4.93 117.98 115.05 3dkw s PHE 53 Ca -0.01 0.42 0.07 0.00 -1.04 0.00 0.00 56.93 56.37 3dkw s PHE 53 Cb -0.03 -1.91 -0.04 0.00 -1.21 0.00 0.00 43.02 39.82 3dkw s PHE 53 CO 0.01 0.38 -0.07 0.71 -1.34 0.00 0.00 175.22 174.91 3dkw s TYR 54 N -1.83 2.80 -0.17 3.49 1.51 -1.23 -2.79 117.35 119.14 3dkw s TYR 54 Ca 0.40 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.33 3dkw s TYR 54 Cb -0.11 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3dkw s TYR 54 CO 0.28 0.45 -0.14 -0.47 -1.11 0.00 0.00 175.55 174.56 3dkw s TYR 55 N -1.29 2.36 -0.21 2.71 6.14 -1.13 -2.50 117.35 123.44 3dkw s TYR 55 Ca 0.23 -1.42 -0.28 0.00 0.64 0.00 0.00 57.07 56.24 3dkw s TYR 55 Cb -0.11 -1.67 0.00 0.00 0.42 0.00 0.00 41.96 40.60 3dkw s TYR 55 CO 0.15 -0.72 0.98 -1.17 0.64 0.00 0.00 175.55 175.43 3dkw s LEU 56 N 1.42 4.13 -0.17 6.97 2.96 -1.11 -2.66 118.68 130.22 3dkw s LEU 56 Ca 0.03 1.33 -0.23 0.00 -0.22 0.00 0.00 54.13 55.04 3dkw s LEU 56 Cb -0.14 -3.46 -0.20 0.00 0.50 0.00 0.00 46.19 42.89 3dkw s LEU 56 CO -0.10 -0.59 0.44 0.40 -1.32 0.00 0.00 176.35 175.19 3dkw h ILE 57 N 5.37 1.22 -2.48 6.68 2.04 -1.83 -1.13 117.51 127.39 3dkw h ILE 57 Ca -0.22 -2.12 -0.09 0.00 1.00 0.00 0.00 64.86 63.43 3dkw h ILE 57 Cb 1.09 2.51 -0.24 0.00 -0.74 0.00 0.00 36.82 39.44 3dkw h ILE 57 CO 0.93 0.42 -0.15 -0.94 0.00 0.00 0.00 178.15 178.40 3dkw s SER 58 N -6.41 -0.59 0.00 1.72 1.04 -1.26 -3.93 113.70 104.28 3dkw s SER 58 Ca -0.21 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.27 3dkw s SER 58 Cb 0.01 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.14 3dkw s SER 58 CO 0.58 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.22 3dkw n GLY 59 N 3.46 0.19 3.55 7.32 0.00 -1.26 -3.10 105.19 115.34 3dkw n GLY 59 Ca -0.17 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3dkw n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s VAL 61 N 0.54 0.12 -0.04 0.00 1.01 -1.23 -3.46 120.40 117.34 3dkw s VAL 61 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3dkw s VAL 61 Cb -0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3dkw s VAL 61 CO -0.02 -0.03 0.39 -1.59 0.00 0.00 0.00 175.10 173.85 3dkw s LYS 62 N 2.06 3.99 -0.19 2.72 -2.85 -0.30 -3.13 119.74 122.03 3dkw s LYS 62 Ca 0.03 0.35 -0.06 0.00 -1.00 0.00 0.00 55.97 55.29 3dkw s LYS 62 Cb -0.14 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.32 3dkw s LYS 62 CO -0.06 0.57 0.02 0.42 0.10 0.00 0.00 175.35 176.40 3dkw s ILE 63 N -0.67 4.28 0.00 3.79 1.01 0.27 -1.61 121.20 128.27 3dkw s ILE 63 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 3dkw s ILE 63 Cb -0.16 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 3dkw s ILE 63 CO 0.11 0.44 0.09 -0.72 0.00 0.00 0.00 174.94 174.86 3dkw s TYR 64 N 0.72 0.08 -0.09 3.97 1.13 -0.10 -1.55 117.35 121.51 3dkw s TYR 64 Ca 0.01 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.53 3dkw s TYR 64 Cb -0.14 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.64 3dkw s TYR 64 CO 0.02 -0.23 -0.23 0.50 -2.51 0.00 0.00 175.55 173.11 3dkw s ARG 65 N -1.20 2.90 0.03 -3.49 3.52 -0.79 -0.54 118.95 119.39 3dkw s ARG 65 Ca -0.13 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.31 3dkw s ARG 65 Cb -0.07 -2.30 -0.06 0.00 -1.56 0.00 0.00 34.95 30.96 3dkw s ARG 65 CO 0.01 0.27 1.40 -0.51 -0.81 0.00 0.00 175.30 175.65 3dkw s LEU 66 N 0.13 4.33 0.38 -0.88 1.43 -1.26 -3.37 118.68 119.44 3dkw s LEU 66 Ca -0.11 2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.94 3dkw s LEU 66 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 3dkw s LEU 66 CO 0.06 -0.70 0.91 0.28 0.23 0.00 0.00 176.35 177.13 3dkw s THR 67 N 2.07 4.40 0.18 5.49 -1.32 -1.02 -4.93 115.64 120.51 3dkw s THR 67 Ca 0.64 1.48 -0.00 0.00 -1.21 0.00 0.00 61.69 62.60 3dkw s THR 67 Cb -0.33 -3.71 0.25 0.00 -1.51 0.00 0.00 72.50 67.21 3dkw s THR 67 CO 0.28 -0.17 0.93 -2.65 -2.21 0.00 0.00 174.62 170.79 3dkw n PRO 68 N -0.26 -0.05 -2.87 7.08 -0.02 -1.26 -2.45 135.00 135.17 3dkw n PRO 68 Ca 0.05 0.90 -0.44 0.00 -2.02 0.00 0.00 63.50 61.99 3dkw n PRO 68 Cb 0.53 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3dkw n PRO 68 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dkw n GLU 69 N -4.79 3.42 -0.17 -0.52 0.00 -1.26 -4.88 120.64 112.44 3dkw n GLU 69 Ca 0.13 -3.83 0.00 0.00 0.00 0.00 0.00 57.16 53.47 3dkw n GLU 69 Cb 0.43 -3.01 0.00 0.00 0.00 0.00 0.00 31.44 28.85 3dkw n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dkw n GLY 70 N 3.86 0.00 3.64 8.31 0.00 -1.02 -4.90 105.19 115.07 3dkw n GLY 70 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 3dkw n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkw s GLN 71 N 0.00 0.65 -0.52 1.61 -1.52 -1.25 -5.00 119.66 113.63 3dkw s GLN 71 Ca 0.00 0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 54.00 3dkw s GLN 71 Cb 0.00 0.26 0.02 0.00 -0.22 0.00 0.00 33.01 33.07 3dkw s GLN 71 CO 0.00 -0.10 1.28 -2.00 -0.25 0.00 0.00 175.29 174.22 3dkw s GLU 72 N 0.72 3.53 -0.36 2.91 2.12 -1.26 -2.44 118.70 123.91 3dkw s GLU 72 Ca -0.02 0.52 -0.08 0.00 0.36 0.00 0.00 54.97 55.74 3dkw s GLU 72 Cb -0.05 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.36 3dkw s GLU 72 CO -0.08 -1.65 0.16 0.21 -0.54 0.00 0.00 175.26 173.37 3dkw s LYS 73 N 4.97 2.69 0.23 4.30 2.20 -1.22 -5.02 119.74 127.89 3dkw s LYS 73 Ca 0.50 -1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 3dkw s LYS 73 Cb -0.09 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 3dkw s LYS 73 CO 0.28 -0.71 1.24 0.42 -0.36 0.00 0.00 175.35 176.22 3dkw s ILE 74 N 1.46 3.29 0.00 5.43 -1.09 -1.26 -1.88 121.20 127.15 3dkw s ILE 74 Ca 0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 3dkw s ILE 74 Cb -0.20 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3dkw s ILE 74 CO 0.04 0.21 0.00 0.18 -1.23 0.00 0.00 174.94 174.14 3dkw n LEU 75 N 2.03 2.88 -3.92 2.97 4.32 -0.59 -4.93 117.00 119.75 3dkw n LEU 75 Ca 0.03 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.83 3dkw n LEU 75 Cb 0.44 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.08 3dkw n LEU 75 CO 0.57 0.48 -0.41 -0.70 -1.22 0.00 0.00 177.39 176.11 3dkw s GLU 76 N -1.99 0.71 -0.13 3.23 2.12 -0.85 -5.04 118.70 116.76 3dkw s GLU 76 Ca 0.00 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.19 3dkw s GLU 76 Cb 0.00 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.66 3dkw s GLU 76 CO 0.00 -0.00 -0.15 0.08 -0.54 0.00 0.00 175.26 174.65 3dkw s VAL 77 N 0.54 2.88 -0.04 3.70 1.01 -1.26 -0.57 120.40 126.66 3dkw s VAL 77 Ca -0.07 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3dkw s VAL 77 Cb -0.10 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3dkw s VAL 77 CO 0.00 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.51 3dkw s THR 78 N 0.37 2.32 0.46 3.92 2.01 -1.18 -5.03 115.64 118.51 3dkw s THR 78 Ca -0.12 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 60.91 3dkw s THR 78 Cb -0.16 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.54 3dkw s THR 78 CO 0.06 0.58 0.26 0.59 -0.69 0.00 0.00 174.62 175.42 3dkw n ASN 79 N 2.51 2.68 -4.74 3.53 3.02 -1.26 -3.52 115.26 117.48 3dkw n ASN 79 Ca -0.17 -2.69 -0.33 0.00 -0.03 0.00 0.00 54.58 51.37 3dkw n ASN 79 Cb 0.51 0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.82 3dkw n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3dkw s GLU 80 N -3.83 2.30 -1.51 3.52 1.03 -1.26 -3.32 118.70 115.63 3dkw s GLU 80 Ca 0.20 1.48 0.00 0.00 0.03 0.00 0.00 54.97 56.68 3dkw s GLU 80 Cb -0.02 -1.88 0.00 0.00 -0.80 0.00 0.00 34.13 31.43 3dkw s GLU 80 CO 0.13 -1.66 0.00 0.54 -1.33 0.00 0.00 175.26 172.94 3dkw n ARG 81 N -2.91 -1.20 -3.91 -4.83 1.74 -0.43 -4.99 116.66 100.13 3dkw n ARG 81 Ca 0.11 0.90 -0.12 0.00 -0.77 0.00 0.00 57.85 57.97 3dkw n ARG 81 Cb 0.52 -5.19 -0.14 0.00 -1.02 0.00 0.00 32.46 26.62 3dkw n ARG 81 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3dkw s ASN 82 N -2.53 0.09 0.09 0.55 0.01 -1.21 -4.97 114.94 106.97 3dkw s ASN 82 Ca 0.00 -0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 51.98 3dkw s ASN 82 Cb 0.00 0.00 -0.06 0.00 0.41 0.00 0.00 41.25 41.60 3dkw s ASN 82 CO 0.00 -0.02 0.43 0.42 -1.51 0.00 0.00 177.10 176.42 3dkw s THR 83 N -0.16 5.04 0.01 1.60 -4.23 -1.26 -2.75 115.64 113.88 3dkw s THR 83 Ca -0.01 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 3dkw s THR 83 Cb -0.01 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3dkw s THR 83 CO -0.00 0.30 -0.07 0.72 -0.54 0.00 0.00 174.62 175.03 3dkw s PHE 84 N -1.39 0.65 -0.61 3.99 -0.71 -1.04 -4.81 117.98 114.06 3dkw s PHE 84 Ca 0.33 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 3dkw s PHE 84 Cb -0.14 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.26 3dkw s PHE 84 CO 0.18 -0.02 0.00 0.00 -1.34 0.00 0.00 175.22 174.04 3dkw n ALA 85 N 2.52 -0.18 1.15 1.99 0.00 -1.26 -3.48 120.51 121.25 3dkw n ALA 85 Ca -0.16 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3dkw n ALA 85 Cb 0.57 -1.04 0.32 0.00 0.00 0.00 0.00 19.45 19.30 3dkw n ALA 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3dkw n GLU 86 N -1.93 0.55 0.02 0.00 0.00 -1.26 -3.67 120.64 114.35 3dkw n GLU 86 Ca -0.08 -0.33 0.13 0.00 0.00 0.00 0.00 57.16 56.88 3dkw n GLU 86 Cb 0.48 -1.49 0.34 0.00 0.00 0.00 0.00 31.44 30.76 3dkw n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dkw n ALA 87 N -0.94 3.01 0.27 -1.84 0.00 -1.26 -3.70 120.51 116.05 3dkw n ALA 87 Ca 0.10 -0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.45 3dkw n ALA 87 Cb 0.34 -1.25 0.73 0.00 0.00 0.00 0.00 19.45 19.28 3dkw n ALA 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dkw h MET 88 N 0.00 0.00 0.00 0.00 2.86 -1.98 -2.29 114.93 113.52 3dkw h MET 88 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3dkw h MET 88 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3dkw h MET 88 CO 0.00 0.08 -0.45 0.52 1.06 0.00 0.00 176.91 178.12 3dkw h MET 89 N 0.00 0.00 -0.02 1.72 2.86 -1.82 -2.88 114.93 114.79 3dkw h MET 89 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 89 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dkw h MET 89 CO 0.01 0.45 -0.28 1.19 1.06 0.00 0.00 176.91 179.34 3dkw n PHE 90 N -3.83 0.00 0.28 -0.22 3.01 -0.93 -4.23 117.46 111.53 3dkw n PHE 90 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.60 3dkw n PHE 90 Cb 0.50 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.48 3dkw n PHE 90 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 3dkw h MET 91 N 3.19 0.00 0.00 -1.08 2.86 -1.19 -3.46 114.93 115.25 3dkw h MET 91 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 91 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3dkw h MET 91 CO 0.00 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.72 3dkw n ASP 92 N -3.03 0.00 -4.69 1.22 8.00 -1.25 -4.96 116.55 111.83 3dkw n ASP 92 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3dkw n ASP 92 Cb 0.37 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3dkw n ASP 92 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dkw s THR 93 N -2.61 4.41 0.21 -3.53 -4.23 -1.26 -4.93 115.64 103.70 3dkw s THR 93 Ca 0.00 1.72 0.28 0.00 -1.18 0.00 0.00 61.69 62.52 3dkw s THR 93 Cb 0.00 -4.11 0.30 0.00 1.34 0.00 0.00 72.50 70.03 3dkw s THR 93 CO 0.00 0.04 1.95 -0.65 -0.54 0.00 0.00 174.62 175.42 3dkw h PRO 94 N 7.20 0.00 -6.19 3.99 0.11 -1.93 -3.44 132.00 131.74 3dkw h PRO 94 Ca -0.35 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.15 3dkw h PRO 94 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 3dkw h PRO 94 CO 0.85 0.13 -0.76 -0.80 -0.21 0.00 0.00 178.00 177.21 3dkw s ASN 95 N -5.99 3.55 0.51 -2.05 0.01 -1.26 -0.27 114.94 109.44 3dkw s ASN 95 Ca -0.00 -1.03 -0.20 0.00 -0.71 0.00 0.00 52.86 50.91 3dkw s ASN 95 Cb 0.11 -0.29 -0.07 0.00 0.41 0.00 0.00 41.25 41.40 3dkw s ASN 95 CO 0.59 0.03 1.12 -0.31 -1.51 0.00 0.00 177.10 177.02 3dkw s TYR 96 N -2.52 2.80 -0.19 2.20 2.02 0.18 -4.62 117.35 117.22 3dkw s TYR 96 Ca 0.30 1.55 0.16 0.00 -0.37 0.00 0.00 57.07 58.71 3dkw s TYR 96 Cb -0.05 -3.26 -0.23 0.00 -0.40 0.00 0.00 41.96 38.02 3dkw s TYR 96 CO 0.15 -1.38 0.43 1.33 -1.57 0.00 0.00 175.55 174.51 3dkw n VAL 97 N -1.02 0.00 -4.24 0.71 0.24 -1.26 -3.33 118.33 109.44 3dkw n VAL 97 Ca 0.10 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 3dkw n VAL 97 Cb 0.51 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 33.10 3dkw n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dkw s ALA 98 N -2.99 1.34 -0.10 2.33 0.00 -1.26 -4.86 121.76 116.22 3dkw s ALA 98 Ca -0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.33 3dkw s ALA 98 Cb 0.11 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3dkw s ALA 98 CO 0.67 -0.31 -0.04 0.99 0.00 0.00 0.00 175.76 177.07 3dkw s THR 99 N -3.65 3.93 -0.01 0.00 2.01 0.30 -3.94 115.64 114.29 3dkw s THR 99 Ca 0.23 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3dkw s THR 99 Cb 0.06 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3dkw s THR 99 CO 0.04 0.57 -0.07 0.00 -0.69 0.00 0.00 174.62 174.46 3dkw s ALA 100 N -0.47 3.00 -0.09 7.40 0.00 -0.59 -0.92 121.76 130.09 3dkw s ALA 100 Ca 0.07 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 3dkw s ALA 100 Cb -0.12 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3dkw s ALA 100 CO 0.02 0.61 0.31 -1.14 0.00 0.00 0.00 175.76 175.55 3dkw s GLN 101 N -1.32 0.43 -0.16 0.00 0.74 -0.63 -2.27 119.66 116.44 3dkw s GLN 101 Ca 0.16 0.29 -0.10 0.00 0.05 0.00 0.00 55.36 55.76 3dkw s GLN 101 Cb -0.11 0.20 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 3dkw s GLN 101 CO 0.07 -0.07 0.17 0.00 -0.55 0.00 0.00 175.29 174.90 3dkw s ALA 102 N -0.17 3.73 -0.25 1.58 0.00 -1.12 -1.15 121.76 124.38 3dkw s ALA 102 Ca -0.03 -0.61 0.22 0.00 0.00 0.00 0.00 51.96 51.54 3dkw s ALA 102 Cb -0.03 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 3dkw s ALA 102 CO 0.01 0.31 0.92 1.33 0.00 0.00 0.00 175.76 178.33 3dkw n VAL 103 N 2.97 0.41 -4.08 0.00 0.24 -1.23 -2.32 118.33 114.33 3dkw n VAL 103 Ca -0.16 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.51 3dkw n VAL 103 Cb 0.53 -0.18 -0.12 0.00 -1.47 0.00 0.00 33.84 32.59 3dkw n VAL 103 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3dkw s VAL 104 N -3.37 0.45 -0.46 3.34 -7.23 -1.26 -4.77 120.40 107.10 3dkw s VAL 104 Ca -0.01 -0.76 -0.38 0.00 -1.81 0.00 0.00 61.98 59.02 3dkw s VAL 104 Cb 0.11 -0.48 -0.15 0.00 0.56 0.00 0.00 36.38 36.42 3dkw s VAL 104 CO 0.82 -0.22 2.22 -2.65 -0.31 0.00 0.00 175.10 174.95 3dkw n PRO 105 N 2.00 0.57 -4.36 4.82 -0.02 -1.26 -4.44 135.00 132.31 3dkw n PRO 105 Ca -0.19 0.15 -0.22 0.00 -2.02 0.00 0.00 63.50 61.21 3dkw n PRO 105 Cb 0.56 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 3dkw n PRO 105 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3dkw s SER 106 N 7.10 2.82 -0.16 2.55 0.01 -1.16 -4.72 113.70 120.14 3dkw s SER 106 Ca 1.15 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 57.50 3dkw s SER 106 Cb -1.12 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 64.94 3dkw s SER 106 CO 0.55 -0.04 -0.16 -1.58 0.41 0.00 0.00 173.24 172.41 3dkw s GLN 107 N -3.05 3.16 0.41 12.44 0.74 -1.18 -3.15 119.66 129.04 3dkw s GLN 107 Ca 0.19 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 54.90 3dkw s GLN 107 Cb -0.05 -2.61 -0.08 0.00 1.10 0.00 0.00 33.01 31.38 3dkw s GLN 107 CO 0.08 -0.03 0.01 -0.51 -0.55 0.00 0.00 175.29 174.29 3dkw s LEU 108 N 0.90 2.88 -0.09 3.68 1.43 -0.99 -2.52 118.68 123.98 3dkw s LEU 108 Ca -0.04 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 51.73 3dkw s LEU 108 Cb -0.15 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.17 3dkw s LEU 108 CO -0.02 -0.45 -0.18 -0.36 0.23 0.00 0.00 176.35 175.58 3dkw s PHE 109 N -2.71 1.99 -0.78 0.29 0.08 -1.09 -1.74 117.98 114.03 3dkw s PHE 109 Ca 0.35 -0.81 -0.14 0.00 0.12 0.00 0.00 56.93 56.45 3dkw s PHE 109 Cb 0.10 -1.39 0.21 0.00 -0.57 0.00 0.00 43.02 41.37 3dkw s PHE 109 CO 0.18 -0.37 0.72 1.03 -0.10 0.00 0.00 175.22 176.69 3dkw s ARG 110 N 0.57 3.50 -0.15 0.44 0.52 -0.92 -2.84 118.95 120.08 3dkw s ARG 110 Ca -0.15 -2.36 -0.22 0.00 -0.52 0.00 0.00 55.73 52.47 3dkw s ARG 110 Cb -0.17 -4.40 -0.03 0.00 0.52 0.00 0.00 34.95 30.88 3dkw s ARG 110 CO 0.05 -1.29 0.66 -0.06 0.02 0.00 0.00 175.30 174.68 3dkw s PHE 111 N 0.35 3.45 0.30 -0.53 0.40 -1.12 -2.95 117.98 117.88 3dkw s PHE 111 Ca 0.16 1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 57.26 3dkw s PHE 111 Cb -0.13 -2.80 -0.10 0.00 0.51 0.00 0.00 43.02 40.50 3dkw s PHE 111 CO -0.07 -0.07 1.30 0.45 0.70 0.00 0.00 175.22 177.53 3dkw s SER 112 N 1.01 6.83 0.08 1.36 0.15 -1.26 -2.37 113.70 119.51 3dkw s SER 112 Ca 0.32 2.60 -0.18 0.00 0.70 0.00 0.00 55.95 59.40 3dkw s SER 112 Cb -0.16 -2.64 -0.10 0.00 -1.71 0.00 0.00 66.02 61.41 3dkw s SER 112 CO 0.13 -0.51 1.43 0.78 1.20 0.00 0.00 173.24 176.27 3dkw h ASN 113 N 3.86 0.52 -0.16 5.45 2.35 -1.47 -2.46 115.58 123.67 3dkw h ASN 113 Ca -0.48 -0.42 -0.05 0.00 -0.55 0.00 0.00 56.30 54.81 3dkw h ASN 113 Cb 1.22 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3dkw h ASN 113 CO 0.68 0.82 -0.03 0.11 -1.65 0.00 0.00 177.43 177.36 3dkw h LYS 114 N 0.22 0.45 0.00 0.81 1.79 -1.93 -0.48 116.57 117.42 3dkw h LYS 114 Ca 0.05 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 3dkw h LYS 114 Cb 0.63 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 3dkw h LYS 114 CO 0.04 0.51 -0.57 0.00 -1.08 0.00 0.00 179.45 178.35 3dkw h ALA 115 N 1.54 1.04 0.02 3.86 0.00 -1.92 -1.11 119.26 122.69 3dkw h ALA 115 Ca 0.09 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 3dkw h ALA 115 Cb 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dkw h ALA 115 CO 0.01 0.71 -1.20 -0.92 0.00 0.00 0.00 179.25 177.85 3dkw h TYR 116 N 0.00 0.08 0.00 0.00 3.20 -0.92 -3.28 116.97 116.05 3dkw h TYR 116 Ca -0.01 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 3dkw h TYR 116 Cb 1.01 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3dkw h TYR 116 CO 0.00 1.06 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.14 3dkw h LEU 117 N 0.01 0.00 -0.62 2.82 3.38 -1.01 -3.31 115.31 116.57 3dkw h LEU 117 Ca -0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dkw h LEU 117 Cb 1.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 3dkw h LEU 117 CO 0.13 0.35 0.34 -0.09 0.09 0.00 0.00 178.44 179.26 3dkw h ARG 118 N 0.00 0.62 0.00 1.13 2.43 -1.26 0.22 114.38 117.52 3dkw h ARG 118 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dkw h ARG 118 Cb 1.27 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3dkw h ARG 118 CO 0.05 0.41 0.00 1.04 -1.51 0.00 0.00 179.97 179.95 3dkw n GLN 119 N -4.81 0.08 -0.46 0.20 1.13 -1.25 -2.84 117.38 109.43 3dkw n GLN 119 Ca 0.07 0.20 0.05 0.00 -1.94 0.00 0.00 57.00 55.39 3dkw n GLN 119 Cb 0.16 -1.62 0.21 0.00 0.11 0.00 0.00 30.24 29.09 3dkw n GLN 119 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3dkw n LEU 120 N -1.77 3.46 0.02 1.08 7.94 -0.06 -4.32 117.00 123.35 3dkw n LEU 120 Ca 0.05 -3.31 -0.18 0.00 -1.11 0.00 0.00 56.01 51.45 3dkw n LEU 120 Cb 0.28 -0.54 -0.12 0.00 0.53 0.00 0.00 43.42 43.57 3dkw n LEU 120 CO 0.22 0.90 0.19 1.56 -1.11 0.00 0.00 177.39 179.15 3dkw h GLN 121 N 1.06 0.36 0.00 1.96 4.20 -1.07 -3.41 115.11 118.21 3dkw h GLN 121 Ca 0.06 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3dkw h GLN 121 Cb 1.35 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.28 3dkw h GLN 121 CO 0.19 1.14 -0.94 -0.40 -0.67 0.00 0.00 178.83 178.16 3dkw n ASP 122 N -4.20 4.70 -4.66 1.46 5.75 -1.26 -5.02 116.55 113.32 3dkw n ASP 122 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.24 3dkw n ASP 122 Cb 0.72 0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 41.26 3dkw n ASP 122 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3dkw s ASN 123 N -2.84 6.45 -0.18 -1.12 0.01 -1.26 -4.87 114.94 111.13 3dkw s ASN 123 Ca 0.00 2.55 0.11 0.00 -0.71 0.00 0.00 52.86 54.81 3dkw s ASN 123 Cb 0.00 -2.53 -0.19 0.00 0.41 0.00 0.00 41.25 38.94 3dkw s ASN 123 CO 0.00 -1.07 -0.00 1.07 -1.51 0.00 0.00 177.10 175.58 3dkw n THR 124 N 5.64 1.16 -0.09 1.60 5.66 -1.26 -3.92 114.28 123.07 3dkw n THR 124 Ca 0.20 -0.64 -0.07 0.00 -3.05 0.00 0.00 64.05 60.49 3dkw n THR 124 Cb 0.42 -0.73 0.11 0.00 -1.55 0.00 0.00 70.33 68.58 3dkw n THR 124 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3dkw h PRO 125 N 0.00 0.77 0.00 1.09 0.13 -2.00 -1.59 132.00 130.41 3dkw h PRO 125 Ca -0.46 -0.28 -0.14 0.00 -0.87 0.00 0.00 66.00 64.26 3dkw h PRO 125 Cb 1.95 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 33.01 3dkw h PRO 125 CO -0.00 0.88 -0.66 -0.07 -0.23 0.00 0.00 178.00 177.92 3dkw h LEU 126 N 0.69 0.00 -0.67 1.56 3.38 -1.97 -1.44 115.31 116.86 3dkw h LEU 126 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3dkw h LEU 126 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3dkw h LEU 126 CO 0.04 0.66 -0.02 0.00 0.09 0.00 0.00 178.44 179.22 3dkw h ALA 127 N 1.34 0.88 -0.16 1.53 0.00 -1.58 -1.30 119.26 119.96 3dkw h ALA 127 Ca -0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3dkw h ALA 127 Cb 1.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dkw h ALA 127 CO 0.09 0.66 -0.63 -0.07 0.00 0.00 0.00 179.25 179.29 3dkw h LEU 128 N 0.93 0.65 -0.79 0.00 3.38 -1.19 -2.63 115.31 115.66 3dkw h LEU 128 Ca 0.16 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3dkw h LEU 128 Cb 0.56 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3dkw h LEU 128 CO 0.03 1.12 0.52 0.00 0.09 0.00 0.00 178.44 180.21 3dkw h ALA 129 N 0.88 1.01 -0.83 1.53 0.00 -1.02 0.16 119.26 120.98 3dkw h ALA 129 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3dkw h ALA 129 Cb 1.20 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3dkw h ALA 129 CO 0.12 0.41 0.37 -0.07 0.00 0.00 0.00 179.25 180.08 3dkw h LEU 130 N 1.07 1.11 -1.19 0.00 3.38 -1.18 -1.69 115.31 116.81 3dkw h LEU 130 Ca 0.29 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3dkw h LEU 130 Cb -0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 3dkw h LEU 130 CO -0.07 0.96 -0.34 -0.07 0.09 0.00 0.00 178.44 179.01 3dkw h LEU 131 N 1.19 0.11 -0.58 1.67 3.38 -0.96 -1.60 115.31 118.52 3dkw h LEU 131 Ca 0.28 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 3dkw h LEU 131 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dkw h LEU 131 CO -0.03 0.45 -0.40 0.00 0.09 0.00 0.00 178.44 178.55 3dkw h ALA 132 N 1.56 0.76 0.00 1.53 0.00 -0.06 -2.22 119.26 120.83 3dkw h ALA 132 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 3dkw h ALA 132 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3dkw h ALA 132 CO 0.05 0.66 -0.60 0.87 0.00 0.00 0.00 179.25 180.22 3dkw h LYS 133 N 0.56 0.00 -0.00 0.00 1.79 -1.06 -1.79 116.57 116.06 3dkw h LYS 133 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3dkw h LYS 133 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3dkw h LYS 133 CO 0.08 0.60 -0.08 1.28 -1.08 0.00 0.00 179.45 180.26 3dkw n LEU 134 N -3.54 0.28 -0.11 2.94 4.77 -0.63 -2.86 117.00 117.85 3dkw n LEU 134 Ca -0.00 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 3dkw n LEU 134 Cb 0.67 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 3dkw n LEU 134 CO 0.41 0.05 -1.23 -1.20 -1.33 0.00 0.00 177.39 174.09 3dkw n SER 135 N -1.11 1.87 -0.26 -1.43 7.64 -0.85 -3.78 113.62 115.70 3dkw n SER 135 Ca 0.14 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.08 3dkw n SER 135 Cb 0.26 -0.53 0.05 0.00 -1.01 0.00 0.00 64.21 62.98 3dkw n SER 135 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3dkw h THR 136 N -0.50 1.26 -0.13 0.44 1.35 -1.45 -1.23 112.91 112.65 3dkw h THR 136 Ca -0.53 -0.94 -0.19 0.00 -0.55 0.00 0.00 66.41 64.20 3dkw h THR 136 Cb 1.58 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3dkw h THR 136 CO -0.24 0.37 -0.71 0.03 -0.25 0.00 0.00 175.52 174.72 3dkw h ARG 137 N 1.07 0.60 -0.01 4.72 2.47 -1.77 -3.17 114.38 118.28 3dkw h ARG 137 Ca 0.23 -0.46 -0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3dkw h ARG 137 Cb 0.35 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3dkw h ARG 137 CO -0.00 1.08 0.00 1.25 0.56 0.00 0.00 179.97 182.86 3dkw h LEU 138 N 0.42 0.01 -2.16 3.04 5.85 -1.60 -2.47 115.31 118.39 3dkw h LEU 138 Ca -0.03 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3dkw h LEU 138 Cb 1.30 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 3dkw h LEU 138 CO 0.13 0.31 0.06 0.45 -0.34 0.00 0.00 178.44 179.05 3dkw h HIS 139 N -0.29 0.00 -0.00 1.25 3.86 -1.32 0.11 115.15 118.76 3dkw h HIS 139 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 3dkw h HIS 139 Cb 0.30 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3dkw h HIS 139 CO 0.03 0.00 -0.78 1.96 0.86 0.00 0.00 177.93 180.00 3dkw h GLN 140 N 0.00 0.03 -0.04 2.45 1.08 -1.49 -2.30 115.11 114.84 3dkw h GLN 140 Ca 0.03 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 3dkw h GLN 140 Cb 0.15 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3dkw h GLN 140 CO -0.00 0.80 -0.91 0.00 -0.95 0.00 0.00 178.83 177.76 3dkw h ARG 141 N 0.02 0.70 -0.13 1.46 2.47 -0.40 -2.56 114.38 115.94 3dkw h ARG 141 Ca -0.01 -0.69 -0.06 0.00 -1.26 0.00 0.00 59.98 57.95 3dkw h ARG 141 Cb 1.38 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 3dkw h ARG 141 CO 0.10 1.28 -0.21 0.82 0.56 0.00 0.00 179.97 182.52 3dkw h ILE 142 N 0.38 1.21 -0.05 2.04 2.04 -1.06 -1.88 117.51 120.19 3dkw h ILE 142 Ca -0.10 -0.98 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 3dkw h ILE 142 Cb 1.57 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 3dkw h ILE 142 CO 0.18 0.30 -0.52 -0.78 0.00 0.00 0.00 178.15 177.33 3dkw h ASP 143 N 0.20 0.16 0.44 1.72 3.58 -1.37 -2.26 116.42 118.89 3dkw h ASP 143 Ca 0.04 -0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 3dkw h ASP 143 Cb 0.49 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 3dkw h ASP 143 CO 0.03 0.65 -0.62 -0.33 -2.88 0.00 0.00 179.24 176.10 3dkw h GLU 144 N 0.12 0.17 -0.34 0.28 5.08 -0.97 -2.88 114.58 116.04 3dkw h GLU 144 Ca 0.00 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3dkw h GLU 144 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3dkw h GLU 144 CO 0.08 0.73 -0.28 0.82 -1.00 0.00 0.00 179.01 179.36 3dkw h ILE 145 N 0.13 1.29 0.00 3.13 2.04 -1.09 -0.56 117.51 122.44 3dkw h ILE 145 Ca -0.01 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 3dkw h ILE 145 Cb 1.12 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3dkw h ILE 145 CO 0.09 0.47 -0.19 -0.33 0.00 0.00 0.00 178.15 178.19 3dkw h GLU 146 N 0.57 0.00 0.23 2.37 5.08 -1.38 0.34 114.58 121.78 3dkw h GLU 146 Ca 0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 3dkw h GLU 146 Cb 0.85 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.13 3dkw h GLU 146 CO 0.07 0.19 -1.59 1.79 -1.00 0.00 0.00 179.01 178.47 3dkw h THR 147 N 0.00 1.13 -0.10 1.13 1.35 -1.36 -3.00 112.91 112.07 3dkw h THR 147 Ca -0.00 -2.61 -0.17 0.00 -0.55 0.00 0.00 66.41 63.07 3dkw h THR 147 Cb 0.35 2.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 3dkw h THR 147 CO 0.02 0.83 -0.66 -0.07 -0.25 0.00 0.00 175.52 175.39 3dkw h LEU 148 N 0.12 0.48 -1.02 3.87 3.38 -0.85 -1.84 115.31 119.44 3dkw h LEU 148 Ca -0.30 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 3dkw h LEU 148 Cb 2.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3dkw h LEU 148 CO 0.23 1.01 -0.40 0.77 0.09 0.00 0.00 178.44 180.14 3dkw h SER 149 N 0.30 0.18 -0.01 -0.43 4.64 -0.45 -1.15 113.55 116.63 3dkw h SER 149 Ca -0.02 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.02 3dkw h SER 149 Cb 1.22 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3dkw h SER 149 CO 0.11 0.57 -0.83 0.25 -0.87 0.00 0.00 176.83 176.06 3dkw h LEU 150 N 0.15 0.75 -0.78 5.97 5.85 -1.42 -2.55 115.31 123.27 3dkw h LEU 150 Ca 0.01 -0.74 -0.07 0.00 0.84 0.00 0.00 57.88 57.92 3dkw h LEU 150 Cb 0.78 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3dkw h LEU 150 CO 0.06 1.39 0.10 0.11 -0.34 0.00 0.00 178.44 179.76 3dkw h LYS 151 N 0.18 1.02 0.00 1.25 1.57 -1.23 -1.13 116.57 118.24 3dkw h LYS 151 Ca -0.10 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 3dkw h LYS 151 Cb 1.50 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3dkw h LYS 151 CO 0.16 0.94 -0.33 -0.97 -0.57 0.00 0.00 179.45 178.68 3dkw h ASN 152 N 0.96 0.00 0.89 0.86 -0.73 -1.26 -2.76 115.58 113.54 3dkw h ASN 152 Ca 0.19 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.13 3dkw h ASN 152 Cb 0.41 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 3dkw h ASN 152 CO 0.01 0.33 -1.07 0.00 -0.37 0.00 0.00 177.43 176.33 3dkw h ALA 153 N 1.67 0.27 0.00 1.57 0.00 -1.02 -3.22 119.26 118.53 3dkw h ALA 153 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 3dkw h ALA 153 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dkw h ALA 153 CO 0.04 1.17 -0.05 1.79 0.00 0.00 0.00 179.25 182.20 3dkw h THR 154 N 0.02 0.10 0.13 0.00 1.35 -1.02 -3.25 112.91 110.25 3dkw h THR 154 Ca -0.05 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3dkw h THR 154 Cb 1.83 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 3dkw h THR 154 CO 0.15 0.05 -0.06 0.45 -0.25 0.00 0.00 175.52 175.85 3dkw h HIS 155 N 0.00 -0.17 -0.90 4.73 -0.00 -1.51 -3.33 115.15 113.97 3dkw h HIS 155 Ca -0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.54 3dkw h HIS 155 Cb 0.73 0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 28.09 3dkw h HIS 155 CO 0.00 -0.10 0.47 0.00 -0.00 0.00 0.00 177.93 178.30 3dkw h ARG 156 N -0.81 0.58 -0.94 2.45 3.08 -1.66 -0.74 114.38 116.34 3dkw h ARG 156 Ca -0.02 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 3dkw h ARG 156 Cb 0.14 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 3dkw h ARG 156 CO 0.03 0.39 0.59 0.28 -1.07 0.00 0.00 179.97 180.19 3dkw h VAL 157 N 0.60 1.01 -0.25 2.04 2.07 -1.72 0.44 116.25 120.44 3dkw h VAL 157 Ca 0.52 -0.35 -0.20 0.00 0.82 0.00 0.00 66.70 67.49 3dkw h VAL 157 Cb 0.83 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3dkw h VAL 157 CO -0.41 0.19 -0.62 0.58 0.02 0.00 0.00 177.57 177.33 3dkw h VAL 158 N 1.03 1.27 0.00 2.57 2.07 -1.26 -2.96 116.25 118.97 3dkw h VAL 158 Ca 0.43 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3dkw h VAL 158 Cb 0.26 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3dkw h VAL 158 CO -0.20 0.58 -0.06 0.03 0.02 0.00 0.00 177.57 177.94 3dkw h ARG 159 N 0.64 0.00 0.00 1.57 3.08 -0.83 -2.65 114.38 116.19 3dkw h ARG 159 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dkw h ARG 159 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dkw h ARG 159 CO 0.13 0.06 -0.18 0.98 -1.07 0.00 0.00 179.97 179.90 3dkw n TYR 160 N -3.15 0.65 -0.12 3.04 9.36 0.15 -3.53 117.16 123.55 3dkw n TYR 160 Ca 0.02 0.19 -0.14 0.00 3.32 0.00 0.00 57.90 61.28 3dkw n TYR 160 Cb 0.41 -0.77 -0.14 0.00 -0.63 0.00 0.00 39.34 38.22 3dkw n TYR 160 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3dkw n LEU 161 N -2.07 1.70 0.15 2.98 4.77 -1.08 -4.11 117.00 119.35 3dkw n LEU 161 Ca 0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3dkw n LEU 161 Cb 0.41 -0.30 0.29 0.00 -2.33 0.00 0.00 43.42 41.49 3dkw n LEU 161 CO 0.32 0.75 0.67 -0.07 -1.33 0.00 0.00 177.39 177.72 3dkw h LEU 162 N 0.00 0.09 -0.18 2.23 3.38 -1.60 -2.30 115.31 116.93 3dkw h LEU 162 Ca -0.56 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 3dkw h LEU 162 Cb 2.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 3dkw h LEU 162 CO -0.04 0.50 -0.50 0.71 0.09 0.00 0.00 178.44 179.20 3dkw h THR 163 N 0.07 0.90 0.00 0.22 1.35 -1.77 -3.19 112.91 110.49 3dkw h THR 163 Ca 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 3dkw h THR 163 Cb 0.76 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3dkw h THR 163 CO 0.06 0.49 -0.59 0.18 -0.25 0.00 0.00 175.52 175.40 3dkw n LEU 164 N -3.28 0.61 -1.00 3.87 4.77 -1.08 -3.68 117.00 117.21 3dkw n LEU 164 Ca 0.01 0.15 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 3dkw n LEU 164 Cb 0.70 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.83 3dkw n LEU 164 CO 0.40 0.01 0.72 0.00 -1.33 0.00 0.00 177.39 177.18 3dkw n ALA 165 N -1.72 2.45 0.59 -1.18 0.00 -0.89 -4.00 120.51 115.76 3dkw n ALA 165 Ca 0.04 -0.85 0.09 0.00 0.00 0.00 0.00 53.44 52.72 3dkw n ALA 165 Cb 0.40 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 19.04 3dkw n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkw n ALA 166 N 1.20 2.44 0.04 0.00 0.00 -1.23 -4.52 120.51 118.44 3dkw n ALA 166 Ca 0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 3dkw n ALA 166 Cb 0.54 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 3dkw n ALA 166 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dkw h HIS 167 N 3.68 -0.17 -3.74 0.00 3.86 -1.76 -3.43 115.15 113.58 3dkw h HIS 167 Ca 0.00 -0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.56 3dkw h HIS 167 Cb 0.81 0.06 -0.38 0.00 1.06 0.00 0.00 27.41 28.96 3dkw h HIS 167 CO 0.07 0.29 -0.79 0.00 0.86 0.00 0.00 177.93 178.37 3dkw s ALA 168 N -3.66 2.34 0.45 2.45 0.00 -1.26 -5.12 121.76 116.96 3dkw s ALA 168 Ca -0.13 -1.68 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 3dkw s ALA 168 Cb 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 3dkw s ALA 168 CO 0.49 -1.26 0.99 -1.25 0.00 0.00 0.00 175.76 174.74 3dkw s PRO 169 N 1.21 4.05 0.00 0.00 0.04 -1.26 -4.47 135.00 134.57 3dkw s PRO 169 Ca -0.05 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3dkw s PRO 169 Cb -0.19 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3dkw s PRO 169 CO -0.06 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.19 3dkw n GLY 170 N -0.36 1.46 2.89 0.56 0.00 -1.26 -5.11 105.19 103.37 3dkw n GLY 170 Ca 0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3dkw n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkw s GLU 171 N 0.00 0.07 0.00 1.61 2.02 -1.26 -5.03 118.70 116.12 3dkw s GLU 171 Ca 0.00 -0.08 0.13 0.00 0.02 0.00 0.00 54.97 55.04 3dkw s GLU 171 Cb 0.00 -0.03 0.14 0.00 0.10 0.00 0.00 34.13 34.34 3dkw s GLU 171 CO 0.00 0.01 0.97 0.27 0.02 0.00 0.00 175.26 176.53 3dkw n ASN 172 N 2.92 2.24 -0.82 -0.19 0.23 -1.26 -4.39 115.26 113.99 3dkw n ASN 172 Ca -0.13 -1.61 0.08 0.00 -0.53 0.00 0.00 54.58 52.38 3dkw n ASN 172 Cb 0.59 -0.03 0.16 0.00 -2.08 0.00 0.00 39.78 38.42 3dkw n ASN 172 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dkw s ARG 174 N -1.13 0.55 0.00 0.00 0.52 -1.26 -3.95 118.95 113.68 3dkw s ARG 174 Ca 0.28 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3dkw s ARG 174 Cb 0.16 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 35.09 3dkw s ARG 174 CO 0.22 0.11 0.00 0.28 0.02 0.00 0.00 175.30 175.93 3dkw n VAL 175 N 3.06 0.00 0.00 3.52 0.31 -1.26 -4.85 118.33 119.11 3dkw n VAL 175 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3dkw n VAL 175 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3dkw n VAL 175 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3dkw n GLU 176 N 0.00 0.00 -3.92 5.55 2.13 -1.26 -4.63 120.64 118.51 3dkw n GLU 176 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 3dkw n GLU 176 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3dkw n GLU 176 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3dkw s ILE 177 N -1.79 1.51 -0.85 6.31 1.01 -1.26 -5.05 121.20 121.07 3dkw s ILE 177 Ca 0.00 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.08 3dkw s ILE 177 Cb 0.00 -1.84 -0.17 0.00 0.01 0.00 0.00 42.46 40.46 3dkw s ILE 177 CO 0.00 -0.20 2.34 -2.65 0.00 0.00 0.00 174.94 174.43 3dkw n PRO 178 N 4.66 0.44 -2.54 2.79 -0.02 -1.26 -4.94 135.00 134.13 3dkw n PRO 178 Ca -0.10 -1.00 -0.41 0.00 -2.02 0.00 0.00 63.50 59.98 3dkw n PRO 178 Cb 0.44 -3.65 -0.04 0.00 -0.02 0.00 0.00 33.50 30.22 3dkw n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dkw s VAL 179 N 14.89 4.00 0.99 -1.45 1.01 -1.26 -4.92 120.40 133.66 3dkw s VAL 179 Ca 0.91 1.68 -0.12 0.00 0.00 0.00 0.00 61.98 64.46 3dkw s VAL 179 Cb -0.14 -4.07 0.18 0.00 0.00 0.00 0.00 36.38 32.35 3dkw s VAL 179 CO 0.12 0.27 1.08 0.00 0.00 0.00 0.00 175.10 176.57 3dkw s ALA 180 N -0.07 0.87 0.34 5.51 0.00 -1.26 -4.88 121.76 122.27 3dkw s ALA 180 Ca 0.50 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.56 3dkw s ALA 180 Cb -0.28 -3.25 0.62 0.00 0.00 0.00 0.00 23.12 20.21 3dkw s ALA 180 CO 0.33 -2.92 1.81 0.87 0.00 0.00 0.00 175.76 175.85 3dkw h LYS 181 N -1.96 0.24 0.00 0.00 1.57 -1.96 -2.85 116.57 111.60 3dkw h LYS 181 Ca -0.52 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3dkw h LYS 181 Cb 1.30 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3dkw h LYS 181 CO 0.51 0.49 -0.66 1.96 -0.57 0.00 0.00 179.45 181.18 3dkw h GLN 182 N 0.22 0.00 0.05 3.15 4.20 -1.91 -3.12 115.11 117.69 3dkw h GLN 182 Ca 0.03 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.51 3dkw h GLN 182 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3dkw h GLN 182 CO 0.04 0.00 -1.13 -0.07 -0.67 0.00 0.00 178.83 177.00 3dkw h LEU 183 N 0.00 0.16 -0.17 1.46 3.38 -1.87 -2.98 115.31 115.29 3dkw h LEU 183 Ca 0.00 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.56 3dkw h LEU 183 Cb 0.87 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.58 3dkw h LEU 183 CO 0.00 1.14 -0.91 0.58 0.09 0.00 0.00 178.44 179.33 3dkw h VAL 184 N 0.03 1.35 0.00 1.22 2.07 -1.50 -3.20 116.25 116.21 3dkw h VAL 184 Ca -0.07 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 65.04 3dkw h VAL 184 Cb 1.86 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 3dkw h VAL 184 CO 0.15 0.70 -0.56 0.00 0.02 0.00 0.00 177.57 177.88 3dkw h ALA 185 N 0.67 1.06 -0.57 1.67 0.00 -1.64 -3.06 119.26 117.39 3dkw h ALA 185 Ca -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3dkw h ALA 185 Cb 1.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3dkw h ALA 185 CO 0.17 0.70 0.31 0.78 0.00 0.00 0.00 179.25 181.21 3dkw h GLY 186 N 1.71 0.84 2.00 0.00 0.00 -1.52 -0.98 103.07 105.12 3dkw h GLY 186 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3dkw h GLY 186 CO 0.07 0.35 -0.21 0.84 0.00 0.00 0.00 176.54 177.59 3dkw h HIS 187 N 0.80 0.00 0.00 5.60 6.17 -1.58 -2.25 115.15 123.89 3dkw h HIS 187 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.28 3dkw h HIS 187 Cb 0.03 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.96 3dkw h HIS 187 CO 0.00 0.21 -0.58 -0.07 0.71 0.00 0.00 177.93 178.21 3dkw h LEU 188 N 0.00 0.00 0.95 0.26 3.38 -1.28 -3.47 115.31 115.15 3dkw h LEU 188 Ca -0.00 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.63 3dkw h LEU 188 Cb 0.64 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3dkw h LEU 188 CO 0.03 0.06 -0.24 -1.54 0.09 0.00 0.00 178.44 176.84 3dkw n SER 189 N -2.39 -4.05 -4.56 -0.43 3.41 -0.51 -5.01 113.62 100.08 3dkw n SER 189 Ca 0.03 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.54 3dkw n SER 189 Cb 0.48 -2.83 -0.11 0.00 -0.26 0.00 0.00 64.21 61.49 3dkw n SER 189 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dkw s ILE 190 N -2.47 2.05 0.62 -1.33 1.01 -1.03 -5.04 121.20 115.02 3dkw s ILE 190 Ca 0.00 -2.11 -0.19 0.00 0.00 0.00 0.00 60.65 58.35 3dkw s ILE 190 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3dkw s ILE 190 CO 0.00 -0.13 1.23 0.00 0.00 0.00 0.00 174.94 176.04 3dkw n GLN 191 N -0.84 1.17 0.06 2.79 6.02 -1.26 -4.41 117.38 120.92 3dkw n GLN 191 Ca -0.05 0.45 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 3dkw n GLN 191 Cb 0.65 -2.45 0.48 0.00 1.02 0.00 0.00 30.24 29.94 3dkw n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3dkw n PRO 192 N -1.52 0.16 0.08 -1.09 -0.04 -1.26 -3.60 135.00 127.74 3dkw n PRO 192 Ca 0.14 0.13 -0.07 0.00 -0.04 0.00 0.00 63.50 63.66 3dkw n PRO 192 Cb 0.47 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 3dkw n PRO 192 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dkw h GLU 193 N 0.00 0.23 0.00 0.54 5.08 -1.95 -3.13 114.58 115.35 3dkw h GLU 193 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3dkw h GLU 193 Cb 0.64 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3dkw h GLU 193 CO 0.00 0.87 -0.14 0.00 -1.00 0.00 0.00 179.01 178.75 3dkw h THR 194 N 0.15 0.00 -0.47 1.13 1.03 -1.96 -3.29 112.91 109.51 3dkw h THR 194 Ca -0.03 -0.54 -0.08 0.00 -0.01 0.00 0.00 66.41 65.75 3dkw h THR 194 Cb 1.32 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 69.83 3dkw h THR 194 CO 0.12 0.00 -0.03 0.15 -0.01 0.00 0.00 175.52 175.75 3dkw h PHE 195 N 0.00 0.93 -0.15 0.00 3.57 -1.67 -2.83 116.94 116.79 3dkw h PHE 195 Ca 0.00 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 3dkw h PHE 195 Cb 0.77 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3dkw h PHE 195 CO 0.00 0.89 -0.24 0.66 -2.23 0.00 0.00 178.31 177.39 3dkw h SER 196 N 0.69 0.27 -0.34 0.41 4.64 -1.67 -2.53 113.55 115.01 3dkw h SER 196 Ca 0.13 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3dkw h SER 196 Cb 0.54 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3dkw h SER 196 CO 0.03 0.52 0.15 0.03 -0.87 0.00 0.00 176.83 176.69 3dkw h ARG 197 N 0.25 0.57 -0.44 4.77 3.08 -1.61 -1.20 114.38 119.79 3dkw h ARG 197 Ca 0.04 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3dkw h ARG 197 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3dkw h ARG 197 CO 0.04 0.48 -0.22 0.82 -1.07 0.00 0.00 179.97 180.02 3dkw h ILE 198 N 0.57 1.27 -0.39 2.04 2.04 -1.27 -2.20 117.51 119.57 3dkw h ILE 198 Ca 0.14 -1.37 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3dkw h ILE 198 Cb 0.14 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3dkw h ILE 198 CO -0.01 0.47 -0.21 0.24 0.00 0.00 0.00 178.15 178.63 3dkw h MET 199 N 0.78 0.76 -0.26 2.37 2.86 -1.25 -1.45 114.93 118.75 3dkw h MET 199 Ca 0.10 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 3dkw h MET 199 Cb 0.77 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3dkw h MET 199 CO 0.06 0.91 -0.37 0.45 1.06 0.00 0.00 176.91 179.02 3dkw h HIS 200 N 0.66 0.69 0.00 -0.22 3.86 -1.13 -1.90 115.15 117.12 3dkw h HIS 200 Ca 0.09 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 3dkw h HIS 200 Cb 0.72 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3dkw h HIS 200 CO 0.04 0.87 -0.47 0.00 0.86 0.00 0.00 177.93 179.23 3dkw h ARG 201 N 0.49 0.00 -0.00 2.45 3.08 -1.26 -2.91 114.38 116.21 3dkw h ARG 201 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3dkw h ARG 201 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3dkw h ARG 201 CO 0.07 0.47 -0.18 -0.11 -1.07 0.00 0.00 179.97 179.16 3dkw n LEU 202 N -3.53 0.48 -0.07 3.04 7.94 -0.56 -3.67 117.00 120.63 3dkw n LEU 202 Ca -0.00 0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 54.81 3dkw n LEU 202 Cb 0.58 -0.23 -0.14 0.00 0.53 0.00 0.00 43.42 44.16 3dkw n LEU 202 CO 0.39 0.09 -1.01 0.61 -1.11 0.00 0.00 177.39 176.37 3dkw n GLY 203 N 1.35 -0.81 0.20 -3.96 0.00 -0.74 -2.02 105.19 99.21 3dkw n GLY 203 Ca 0.12 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3dkw n GLY 203 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3dkw h ASP 204 N 0.01 0.00 1.71 1.61 3.04 -1.63 -3.11 116.42 118.04 3dkw h ASP 204 Ca -0.48 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.26 3dkw h ASP 204 Cb 2.09 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.38 3dkw h ASP 204 CO 0.02 0.19 -0.29 -0.33 -2.04 0.00 0.00 179.24 176.79 3dkw h GLU 205 N 0.00 0.00 -1.70 4.15 5.08 -1.75 -3.48 114.58 116.88 3dkw h GLU 205 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dkw h GLU 205 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3dkw h GLU 205 CO 0.03 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 3dkw n GLY 206 N 1.16 0.56 0.00 -3.84 0.00 -1.18 -5.02 105.19 96.88 3dkw n GLY 206 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3dkw n GLY 206 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dkw n ILE 207 N -0.85 0.00 -3.71 -0.61 5.41 -1.19 -4.73 119.36 113.67 3dkw n ILE 207 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 3dkw n ILE 207 Cb 0.38 -0.40 -0.16 0.00 -0.71 0.00 0.00 39.64 38.75 3dkw n ILE 207 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3dkw s ILE 208 N -1.63 -0.12 0.47 1.39 1.01 -0.86 -0.57 121.20 120.89 3dkw s ILE 208 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 3dkw s ILE 208 Cb 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3dkw s ILE 208 CO 0.00 0.12 0.80 -1.00 0.00 0.00 0.00 174.94 174.86 3dkw s HIS 209 N 1.68 3.55 -0.09 3.97 3.76 -1.10 -3.75 115.29 123.31 3dkw s HIS 209 Ca -0.03 0.89 -0.15 0.00 -0.15 0.00 0.00 55.06 55.62 3dkw s HIS 209 Cb -0.12 -2.36 -0.05 0.00 1.11 0.00 0.00 32.58 31.16 3dkw s HIS 209 CO -0.04 -0.27 0.38 -0.51 -0.85 0.00 0.00 174.74 173.45 3dkw s LEU 210 N -4.57 4.34 0.00 0.89 1.43 -1.26 -3.69 118.68 115.83 3dkw s LEU 210 Ca 0.49 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3dkw s LEU 210 Cb -0.10 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 3dkw s LEU 210 CO 0.42 0.16 0.34 0.47 0.23 0.00 0.00 176.35 177.98 3dkw n ASP 211 N 2.90 -0.94 -4.56 2.29 8.00 -1.26 -5.01 116.55 117.97 3dkw n ASP 211 Ca -0.11 -2.51 -0.39 0.00 0.71 0.00 0.00 54.79 52.48 3dkw n ASP 211 Cb 0.52 1.81 -0.03 0.00 -0.02 0.00 0.00 41.12 43.40 3dkw n ASP 211 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dkw s GLY 212 N -2.70 1.15 0.00 0.44 0.00 -1.26 -4.51 107.32 100.44 3dkw s GLY 212 Ca 0.24 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 42.73 3dkw s GLY 212 CO 0.17 2.81 0.00 0.54 0.00 0.00 0.00 173.10 176.62 3dkw n ARG 213 N 8.82 0.00 -1.92 2.90 1.74 -1.26 -4.86 116.66 122.08 3dkw n ARG 213 Ca 0.36 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 3dkw n ARG 213 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.91 3dkw n ARG 213 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dkw s GLU 214 N 0.00 3.04 -0.09 5.56 2.02 -1.26 -4.52 118.70 123.45 3dkw s GLU 214 Ca 0.00 1.32 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 3dkw s GLU 214 Cb 0.00 -4.29 -0.02 0.00 0.10 0.00 0.00 34.13 29.92 3dkw s GLU 214 CO 0.00 -2.21 0.98 0.42 0.02 0.00 0.00 175.26 174.47 3dkw s ILE 215 N 8.02 4.82 -0.17 -1.63 1.01 -1.26 -4.33 121.20 127.66 3dkw s ILE 215 Ca 0.81 1.99 -0.09 0.00 0.00 0.00 0.00 60.65 63.36 3dkw s ILE 215 Cb -0.21 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 3dkw s ILE 215 CO 0.30 0.05 0.13 -0.94 0.00 0.00 0.00 174.94 174.48 3dkw s SER 216 N 1.07 6.27 -0.21 3.58 1.04 -1.24 -4.06 113.70 120.15 3dkw s SER 216 Ca 0.48 0.31 -0.09 0.00 0.48 0.00 0.00 55.95 57.13 3dkw s SER 216 Cb -0.19 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 3dkw s SER 216 CO 0.20 0.26 0.11 -0.63 0.98 0.00 0.00 173.24 174.15 3dkw s ILE 217 N -0.10 5.12 -0.25 -1.02 1.01 -1.25 -2.70 121.20 122.01 3dkw s ILE 217 Ca 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 3dkw s ILE 217 Cb -0.11 -3.35 -0.16 0.00 0.01 0.00 0.00 42.46 38.85 3dkw s ILE 217 CO 0.00 0.41 -0.18 -0.11 0.00 0.00 0.00 174.94 175.07 3dkw n LEU 218 N 3.83 2.41 -4.09 2.97 7.94 0.27 -3.78 117.00 126.55 3dkw n LEU 218 Ca -0.16 0.15 -0.30 0.00 -1.11 0.00 0.00 56.01 54.59 3dkw n LEU 218 Cb 0.52 -0.90 -0.17 0.00 0.53 0.00 0.00 43.42 43.40 3dkw n LEU 218 CO 0.35 0.71 -0.51 -1.81 -1.11 0.00 0.00 177.39 175.03 3dkw s ASP 219 N -7.02 2.75 0.04 1.96 1.01 -1.05 -5.00 116.67 109.36 3dkw s ASP 219 Ca -0.35 -0.51 0.16 0.00 0.71 0.00 0.00 52.55 52.56 3dkw s ASP 219 Cb 0.11 -1.25 -0.16 0.00 1.01 0.00 0.00 42.92 42.64 3dkw s ASP 219 CO 0.57 0.02 0.78 0.54 0.21 0.00 0.00 175.17 177.28 3dkw n ARG 220 N 4.33 0.62 0.01 8.23 1.74 -1.26 -3.80 116.66 126.54 3dkw n ARG 220 Ca -0.19 0.23 -0.19 0.00 -0.77 0.00 0.00 57.85 56.93 3dkw n ARG 220 Cb 0.51 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 30.06 3dkw n ARG 220 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3dkw h GLU 221 N 0.00 0.68 0.00 5.56 5.08 -2.01 -3.27 114.58 120.63 3dkw h GLU 221 Ca -0.19 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 3dkw h GLU 221 Cb 1.67 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.09 3dkw h GLU 221 CO 0.05 1.26 0.00 0.00 -1.00 0.00 0.00 179.01 179.32 3dkw h ARG 222 N 0.36 0.00 0.00 2.33 3.08 -2.00 -2.74 114.38 115.41 3dkw h ARG 222 Ca -0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3dkw h ARG 222 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 3dkw h ARG 222 CO 0.18 0.00 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.69 3dkw h LEU 223 N 0.00 0.00 -0.33 3.04 3.38 -1.65 -3.21 115.31 116.53 3dkw h LEU 223 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkw h LEU 223 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dkw h LEU 223 CO 0.00 0.32 0.00 -0.33 0.09 0.00 0.00 178.44 178.52 3dkw h GLU 224 N 0.00 0.00 0.00 1.13 5.08 -1.60 -3.15 114.58 116.05 3dkw h GLU 224 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dkw h GLU 224 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3dkw h GLU 224 CO 0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 179.01 177.82 3dkw s PHE 226 N -3.18 2.77 0.00 0.00 0.08 -1.19 -5.14 117.98 111.32 3dkw s PHE 226 Ca 0.05 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.40 3dkw s PHE 226 Cb 0.06 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 3dkw s PHE 226 CO 0.70 -4.35 0.02 0.39 -0.10 0.00 0.00 175.22 171.88