#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 3.32 0.00 2.12 2.02 -1.26 -4.96 118.70 119.94 3dkw s GLU 2 Ca 0.00 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3dkw s GLU 2 Cb 0.00 -4.56 0.00 0.00 0.10 0.00 0.00 34.13 29.67 3dkw s GLU 2 CO 0.00 -1.86 0.00 1.19 0.02 0.00 0.00 175.26 174.61 3dkw n PHE 3 N 7.53 0.00 -1.15 1.61 3.01 -1.26 -4.85 117.46 122.35 3dkw n PHE 3 Ca 0.09 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.67 3dkw n PHE 3 Cb 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.89 3dkw n PHE 3 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dkw n GLN 4 N 13.30 -2.23 0.00 -1.08 10.64 -1.26 -4.80 117.38 131.95 3dkw n GLN 4 Ca 0.00 1.76 0.00 0.00 -1.83 0.00 0.00 57.00 56.93 3dkw n GLN 4 Cb 0.00 -2.79 0.00 0.00 -0.86 0.00 0.00 30.24 26.59 3dkw n GLN 4 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3dkw n ARG 5 N -3.79 0.00 0.00 2.61 1.74 -1.26 -4.56 116.66 111.40 3dkw n ARG 5 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3dkw n ARG 5 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3dkw n ARG 5 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dkw n VAL 6 N 0.00 0.00 0.08 1.55 0.31 -1.26 -4.73 118.33 114.28 3dkw n VAL 6 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3dkw n VAL 6 Cb 0.00 0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 33.29 3dkw n VAL 6 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3dkw h HIS 7 N 0.00 0.20 0.00 3.52 3.86 -1.94 -3.25 115.15 117.53 3dkw h HIS 7 Ca 0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3dkw h HIS 7 Cb 0.01 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3dkw h HIS 7 CO 0.00 1.01 -0.01 0.37 0.86 0.00 0.00 177.93 180.16 3dkw h GLN 8 N 0.05 0.00 0.00 2.45 4.15 -1.94 -1.07 115.11 118.76 3dkw h GLN 8 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 3dkw h GLN 8 Cb 1.65 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.32 3dkw h GLN 8 CO 0.14 0.01 -0.67 1.96 -1.93 0.00 0.00 178.83 178.34 3dkw h GLN 9 N 0.00 0.00 -0.05 1.69 4.20 -1.88 -2.51 115.11 116.56 3dkw h GLN 9 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3dkw h GLN 9 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3dkw h GLN 9 CO 0.00 0.67 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.09 3dkw h LEU 10 N 0.00 0.24 0.00 1.46 3.38 -1.35 -3.23 115.31 115.81 3dkw h LEU 10 Ca -0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3dkw h LEU 10 Cb 1.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3dkw h LEU 10 CO 0.09 0.84 -1.23 0.18 0.09 0.00 0.00 178.44 178.41 3dkw n LEU 11 N -3.81 0.80 0.17 1.67 4.77 -1.20 -3.99 117.00 115.40 3dkw n LEU 11 Ca -0.02 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 3dkw n LEU 11 Cb 0.66 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.35 3dkw n LEU 11 CO 0.45 -0.05 0.88 -0.61 -1.33 0.00 0.00 177.39 176.73 3dkw h GLN 12 N 0.00 0.00 0.00 3.23 5.75 -1.46 -1.81 115.11 120.82 3dkw h GLN 12 Ca -0.07 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 3dkw h GLN 12 Cb 1.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 3dkw h GLN 12 CO 0.02 0.00 -1.57 -1.13 -2.65 0.00 0.00 178.83 173.49 3dkw n SER 13 N -2.36 0.43 -4.80 -0.69 3.41 -1.26 -4.62 113.62 103.74 3dkw n SER 13 Ca 0.00 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.45 3dkw n SER 13 Cb 0.13 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 3dkw n SER 13 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3dkw s HIS 14 N -3.32 2.98 0.26 7.33 5.65 -0.68 -4.96 115.29 122.55 3dkw s HIS 14 Ca -0.05 1.53 0.11 0.00 0.25 0.00 0.00 55.06 56.90 3dkw s HIS 14 Cb 0.11 -3.03 0.38 0.00 -1.18 0.00 0.00 32.58 28.86 3dkw s HIS 14 CO 0.85 -1.07 1.62 1.12 -0.65 0.00 0.00 174.74 176.61 3dkw h HIS 15 N 0.71 0.00 0.00 3.88 2.07 -1.92 -2.78 115.15 117.11 3dkw h HIS 15 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3dkw h HIS 15 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3dkw h HIS 15 CO 0.58 0.60 0.00 1.28 -3.07 0.00 0.00 177.93 177.31 3dkw n LEU 16 N -3.77 0.52 -0.10 6.12 4.77 -1.26 -3.63 117.00 119.66 3dkw n LEU 16 Ca -0.01 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 3dkw n LEU 16 Cb 0.61 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3dkw n LEU 16 CO 0.42 -0.15 0.20 0.49 -1.33 0.00 0.00 177.39 177.02 3dkw n PHE 17 N -2.00 0.00 -0.01 -1.77 3.01 -1.17 -4.68 117.46 110.84 3dkw n PHE 17 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 3dkw n PHE 17 Cb 0.38 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.48 -0.05 0.00 -1.08 5.08 -1.56 -3.24 114.58 114.22 3dkw h GLU 18 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dkw h GLU 18 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dkw h GLU 18 CO 0.00 0.53 -0.00 -1.35 -1.00 0.00 0.00 179.01 177.19 3dkw h PRO 19 N -0.68 0.00 -6.86 2.33 0.11 -1.84 -3.43 132.00 121.63 3dkw h PRO 19 Ca -0.01 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 3dkw h PRO 19 Cb 0.60 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.77 3dkw h PRO 19 CO 0.01 0.00 0.59 -0.51 -0.21 0.00 0.00 178.00 177.89 3dkw s LEU 20 N -8.54 4.46 0.52 2.35 1.43 -1.22 -4.96 118.68 112.72 3dkw s LEU 20 Ca -0.05 2.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 3dkw s LEU 20 Cb 0.16 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 3dkw s LEU 20 CO 0.63 -0.42 0.96 -0.94 0.23 0.00 0.00 176.35 176.80 3dkw s SER 21 N -0.60 6.55 0.55 2.29 1.04 -1.26 -4.77 113.70 117.49 3dkw s SER 21 Ca 0.48 1.48 0.36 0.00 0.48 0.00 0.00 55.95 58.75 3dkw s SER 21 Cb -0.38 -2.48 1.53 0.00 0.10 0.00 0.00 66.02 64.80 3dkw s SER 21 CO 0.50 -0.61 1.81 -0.65 0.98 0.00 0.00 173.24 175.27 3dkw h PRO 22 N 0.76 0.00 -0.01 4.02 0.11 -1.96 0.49 132.00 135.42 3dkw h PRO 22 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 3dkw h PRO 22 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 3dkw h PRO 22 CO 0.62 0.00 -1.01 0.28 -0.21 0.00 0.00 178.00 177.68 3dkw h VAL 23 N 0.00 1.30 0.00 3.15 2.07 -2.00 -2.90 116.25 117.87 3dkw h VAL 23 Ca 0.54 -2.26 -0.16 0.00 0.82 0.00 0.00 66.70 65.64 3dkw h VAL 23 Cb 2.18 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 3dkw h VAL 23 CO -0.01 0.70 -0.78 1.56 0.02 0.00 0.00 177.57 179.06 3dkw h GLN 24 N 0.38 0.00 -0.57 1.57 4.20 -0.59 -2.59 115.11 117.50 3dkw h GLN 24 Ca -0.12 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 3dkw h GLN 24 Cb 1.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.42 3dkw h GLN 24 CO 0.20 0.78 -0.05 1.25 -0.67 0.00 0.00 178.83 180.33 3dkw h LEU 25 N 0.00 1.04 -0.44 1.46 5.85 -0.42 -2.46 115.31 120.33 3dkw h LEU 25 Ca -0.01 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3dkw h LEU 25 Cb 1.40 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3dkw h LEU 25 CO 0.10 1.11 -0.50 -0.61 -0.34 0.00 0.00 178.44 178.21 3dkw h GLN 26 N 0.94 0.00 0.00 1.25 4.15 -1.52 -2.59 115.11 117.34 3dkw h GLN 26 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 3dkw h GLN 26 Cb 0.62 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3dkw h GLN 26 CO 0.04 0.50 -0.35 1.49 -1.93 0.00 0.00 178.83 178.58 3dkw h GLU 27 N 0.00 0.00 0.03 1.69 4.81 -1.18 -2.52 114.58 117.40 3dkw h GLU 27 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 3dkw h GLU 27 Cb 1.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3dkw h GLU 27 CO 0.06 0.35 -1.69 1.25 -0.73 0.00 0.00 179.01 178.25 3dkw h LEU 28 N 0.00 0.09 -0.71 1.64 5.85 -1.37 -3.34 115.31 117.47 3dkw h LEU 28 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3dkw h LEU 28 Cb 0.86 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3dkw h LEU 28 CO 0.05 1.17 0.00 -0.07 -0.34 0.00 0.00 178.44 179.24 3dkw h LEU 29 N 0.02 0.00 -1.11 2.25 3.38 -1.40 -3.04 115.31 115.41 3dkw h LEU 29 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3dkw h LEU 29 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 3dkw h LEU 29 CO 0.09 0.00 -0.40 0.00 0.09 0.00 0.00 178.44 178.22 3dkw h ALA 30 N 2.12 1.15 -0.01 1.53 0.00 -1.57 -2.87 119.26 119.61 3dkw h ALA 30 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dkw h ALA 30 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3dkw h ALA 30 CO 0.00 0.50 -0.59 0.45 0.00 0.00 0.00 179.25 179.60 3dkw n SER 31 N -3.79 1.80 -4.85 0.00 2.88 -1.16 -4.97 113.62 103.54 3dkw n SER 31 Ca -0.01 -1.40 -0.31 0.00 -1.33 0.00 0.00 58.87 55.82 3dkw n SER 31 Cb 0.47 0.60 0.02 0.00 -0.75 0.00 0.00 64.21 64.54 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 -2.58 5.96 -0.03 -3.46 1.04 -1.09 -4.63 113.70 108.92 3dkw s SER 32 Ca 0.16 1.53 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 3dkw s SER 32 Cb 0.17 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.83 3dkw s SER 32 CO 0.63 -1.05 0.07 -0.62 0.98 0.00 0.00 173.24 173.26 3dkw s ASP 33 N -3.85 -0.05 0.09 7.02 2.15 -1.17 -4.97 116.67 115.89 3dkw s ASP 33 Ca 0.57 0.15 -0.31 0.00 0.43 0.00 0.00 52.55 53.39 3dkw s ASP 33 Cb -0.12 0.10 -0.07 0.00 -0.30 0.00 0.00 42.92 42.53 3dkw s ASP 33 CO 0.51 -0.07 1.29 -0.22 -0.17 0.00 0.00 175.17 176.50 3dkw s LEU 34 N 0.49 4.37 -0.11 -1.34 2.96 -1.26 -2.21 118.68 121.58 3dkw s LEU 34 Ca -0.04 2.16 0.03 0.00 -0.22 0.00 0.00 54.13 56.06 3dkw s LEU 34 Cb -0.05 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3dkw s LEU 34 CO -0.02 -0.56 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.56 3dkw s VAL 35 N 1.08 1.82 -0.14 1.68 1.01 0.19 -4.99 120.40 121.05 3dkw s VAL 35 Ca 0.61 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3dkw s VAL 35 Cb -0.33 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3dkw s VAL 35 CO 0.30 0.50 -0.15 0.20 0.00 0.00 0.00 175.10 175.95 3dkw s ASN 36 N 0.62 3.72 0.15 3.32 0.01 -1.26 -0.87 114.94 120.63 3dkw s ASN 36 Ca -0.13 -0.43 0.09 0.00 -0.71 0.00 0.00 52.86 51.67 3dkw s ASN 36 Cb -0.17 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 3dkw s ASN 36 CO 0.04 0.12 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.78 3dkw s LEU 37 N 0.64 2.40 0.00 0.60 1.43 -0.64 -5.04 118.68 118.05 3dkw s LEU 37 Ca -0.08 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3dkw s LEU 37 Cb -0.16 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3dkw s LEU 37 CO 0.03 0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.09 3dkw n ASP 38 N 0.52 0.41 -4.69 2.29 8.00 -1.26 -2.35 116.55 119.47 3dkw n ASP 38 Ca -0.15 -0.38 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 3dkw n ASP 38 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.83 4.33 -0.10 -1.24 2.20 -1.26 -3.14 119.74 121.37 3dkw s LYS 39 Ca 0.00 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 3dkw s LYS 39 Cb 0.00 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3dkw s LYS 39 CO 0.00 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 3dkw n GLY 40 N 3.43 0.33 3.75 5.54 0.00 -0.60 -5.03 105.19 112.60 3dkw n GLY 40 Ca 0.11 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.06 3.65 0.08 4.61 0.00 -1.19 -4.91 121.76 121.95 3dkw s ALA 41 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 3dkw s ALA 41 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 3dkw s ALA 41 CO 0.00 0.34 0.66 0.71 0.00 0.00 0.00 175.76 177.47 3dkw s TYR 42 N -0.16 3.80 -0.13 0.00 1.51 -1.26 -0.33 117.35 120.78 3dkw s TYR 42 Ca 0.09 1.39 -0.13 0.00 -1.01 0.00 0.00 57.07 57.41 3dkw s TYR 42 Cb -0.12 -2.65 -0.11 0.00 -0.11 0.00 0.00 41.96 38.98 3dkw s TYR 42 CO 0.01 0.47 0.24 0.28 -1.11 0.00 0.00 175.55 175.43 3dkw h VAL 43 N 3.71 0.67 -2.73 0.71 2.07 -1.54 -3.48 116.25 115.66 3dkw h VAL 43 Ca -0.47 -1.56 -0.12 0.00 0.82 0.00 0.00 66.70 65.36 3dkw h VAL 43 Cb 1.21 1.33 -0.25 0.00 -1.52 0.00 0.00 31.29 32.06 3dkw h VAL 43 CO 0.67 0.23 -0.26 0.72 0.02 0.00 0.00 177.57 178.94 3dkw s PHE 44 N -1.97 -0.49 0.40 1.57 -0.71 -1.24 -5.00 117.98 110.53 3dkw s PHE 44 Ca -0.12 1.14 -0.06 0.00 -1.04 0.00 0.00 56.93 56.85 3dkw s PHE 44 Cb 0.00 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 3dkw s PHE 44 CO 0.32 -0.25 0.69 1.03 -1.34 0.00 0.00 175.22 175.68 3dkw s ARG 45 N 0.58 3.61 -0.61 1.99 0.52 -1.26 -1.38 118.95 122.40 3dkw s ARG 45 Ca -0.03 0.15 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 3dkw s ARG 45 Cb -0.05 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 32.96 3dkw s ARG 45 CO -0.03 -0.02 1.42 -1.14 0.02 0.00 0.00 175.30 175.55 3dkw s GLN 46 N -4.18 3.21 0.00 3.54 0.74 -1.18 -2.82 119.66 118.97 3dkw s GLN 46 Ca 0.46 0.31 0.00 0.00 0.05 0.00 0.00 55.36 56.18 3dkw s GLN 46 Cb -0.10 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.85 3dkw s GLN 46 CO 0.37 -2.06 0.00 0.41 -0.55 0.00 0.00 175.29 173.46 3dkw n GLY 47 N 5.32 1.17 3.77 2.59 0.00 -1.17 -4.97 105.19 111.90 3dkw n GLY 47 Ca 0.11 0.00 -0.39 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 0.00 4.27 0.24 1.61 2.02 -1.13 -4.74 118.70 120.97 3dkw s GLU 48 Ca 0.00 1.80 -0.31 0.00 0.02 0.00 0.00 54.97 56.48 3dkw s GLU 48 Cb 0.00 -2.83 -0.12 0.00 0.10 0.00 0.00 34.13 31.28 3dkw s GLU 48 CO 0.00 -0.12 1.69 -2.14 0.02 0.00 0.00 175.26 174.70 3dkw s PRO 49 N -2.04 4.12 -0.15 0.39 0.02 -1.26 -1.21 135.00 134.85 3dkw s PRO 49 Ca 0.53 2.61 -0.29 0.00 0.02 0.00 0.00 61.00 63.87 3dkw s PRO 49 Cb -0.30 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 3dkw s PRO 49 CO 0.39 -0.72 1.19 0.00 -0.33 0.00 0.00 177.00 177.52 3dkw s ALA 50 N 0.78 3.62 0.00 -1.55 0.00 0.19 -4.77 121.76 120.02 3dkw s ALA 50 Ca 0.71 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3dkw s ALA 50 Cb -0.49 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.05 3dkw s ALA 50 CO 0.38 -1.03 0.00 0.72 0.00 0.00 0.00 175.76 175.83 3dkw n HIS 51 N 6.15 0.00 -3.60 0.00 8.25 -1.26 -4.85 115.22 119.92 3dkw n HIS 51 Ca 0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.43 3dkw n HIS 51 Cb 0.46 0.00 -0.07 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 0.00 -1.59 0.14 -1.41 0.00 -1.26 -0.38 121.76 117.26 3dkw s ALA 52 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.41 3dkw s ALA 52 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3dkw s ALA 52 CO 0.00 -0.33 -0.04 -0.59 0.00 0.00 0.00 175.76 174.79 3dkw s PHE 53 N -0.65 2.80 0.17 0.00 -0.71 -0.66 -4.90 117.98 114.03 3dkw s PHE 53 Ca -0.07 -0.14 0.07 0.00 -1.04 0.00 0.00 56.93 55.75 3dkw s PHE 53 Cb -0.02 -1.40 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 3dkw s PHE 53 CO 0.06 0.49 -0.00 0.71 -1.34 0.00 0.00 175.22 175.13 3dkw s TYR 54 N -1.52 2.84 -0.18 3.49 1.51 -1.23 -2.14 117.35 120.13 3dkw s TYR 54 Ca 0.25 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3dkw s TYR 54 Cb -0.10 -1.38 0.05 0.00 -0.11 0.00 0.00 41.96 40.41 3dkw s TYR 54 CO 0.17 0.51 -0.03 -0.47 -1.11 0.00 0.00 175.55 174.62 3dkw s TYR 55 N -1.70 1.64 0.04 2.71 6.14 -0.91 -2.72 117.35 122.55 3dkw s TYR 55 Ca 0.27 -1.11 -0.29 0.00 0.64 0.00 0.00 57.07 56.59 3dkw s TYR 55 Cb -0.09 -1.28 -0.04 0.00 0.42 0.00 0.00 41.96 40.96 3dkw s TYR 55 CO 0.18 -0.63 0.92 -1.17 0.64 0.00 0.00 175.55 175.50 3dkw s LEU 56 N 1.65 4.42 -0.19 6.97 2.96 -1.19 -1.28 118.68 132.01 3dkw s LEU 56 Ca -0.00 1.64 -0.15 0.00 -0.22 0.00 0.00 54.13 55.39 3dkw s LEU 56 Cb -0.16 -3.49 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 3dkw s LEU 56 CO -0.07 -0.15 -0.18 -0.38 -1.32 0.00 0.00 176.35 174.25 3dkw n ILE 57 N 3.38 1.48 -3.78 6.68 -0.00 -0.88 -1.68 119.36 124.56 3dkw n ILE 57 Ca 0.03 0.04 -0.13 0.00 -0.00 0.00 0.00 62.75 62.70 3dkw n ILE 57 Cb 0.50 -2.22 -0.13 0.00 -0.00 0.00 0.00 39.64 37.79 3dkw n ILE 57 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3dkw s SER 58 N -6.31 -0.14 0.00 4.38 1.04 -1.25 -3.71 113.70 107.71 3dkw s SER 58 Ca -0.26 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3dkw s SER 58 Cb 0.06 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3dkw s SER 58 CO 0.40 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.13 3dkw n GLY 59 N 3.62 0.64 2.81 7.32 0.00 -1.26 -2.57 105.19 115.74 3dkw n GLY 59 Ca -0.20 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.49 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 1.73 1.56 0.03 0.00 1.01 -1.20 -2.70 120.40 120.83 3dkw s VAL 61 Ca -0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3dkw s VAL 61 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3dkw s VAL 61 CO -0.05 0.45 0.25 -1.59 0.00 0.00 0.00 175.10 174.16 3dkw s LYS 62 N 0.67 3.52 -0.05 2.72 -2.85 0.76 -3.02 119.74 121.48 3dkw s LYS 62 Ca -0.13 -0.21 -0.05 0.00 -1.00 0.00 0.00 55.97 54.57 3dkw s LYS 62 Cb -0.16 -3.05 -0.02 0.00 -2.06 0.00 0.00 37.83 32.54 3dkw s LYS 62 CO 0.04 0.63 -0.11 -0.89 0.10 0.00 0.00 175.35 175.12 3dkw n ILE 63 N 0.81 0.50 -0.65 3.79 5.41 -1.25 -0.47 119.36 127.49 3dkw n ILE 63 Ca -0.09 0.35 0.05 0.00 1.00 0.00 0.00 62.75 64.06 3dkw n ILE 63 Cb 0.52 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.71 3dkw n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dkw n TYR 64 N -3.13 -0.94 -4.50 1.39 4.11 -1.26 -3.68 117.16 109.15 3dkw n TYR 64 Ca -0.04 0.49 -0.24 0.00 -0.00 0.00 0.00 57.90 58.11 3dkw n TYR 64 Cb 0.16 -0.85 -0.11 0.00 -0.00 0.00 0.00 39.34 38.54 3dkw n TYR 64 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3dkw s ARG 65 N -2.66 1.74 -1.13 -3.48 0.52 -0.70 -3.28 118.95 109.96 3dkw s ARG 65 Ca 0.00 -1.96 -0.06 0.00 -0.52 0.00 0.00 55.73 53.19 3dkw s ARG 65 Cb 0.00 -1.15 0.27 0.00 0.52 0.00 0.00 34.95 34.59 3dkw s ARG 65 CO 0.00 -0.11 1.56 1.28 0.02 0.00 0.00 175.30 178.05 3dkw n LEU 66 N -0.76 6.45 -4.59 2.53 4.77 -1.26 -2.93 117.00 121.20 3dkw n LEU 66 Ca -0.03 -5.07 -0.30 0.00 -0.03 0.00 0.00 56.01 50.57 3dkw n LEU 66 Cb 0.66 -1.33 0.20 0.00 -2.33 0.00 0.00 43.42 40.63 3dkw n LEU 66 CO 0.44 1.60 0.60 0.42 -1.33 0.00 0.00 177.39 179.13 3dkw s THR 67 N -1.98 2.11 0.99 -5.08 -4.23 -1.21 -4.98 115.64 101.25 3dkw s THR 67 Ca 0.33 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.76 3dkw s THR 67 Cb 0.05 -2.11 0.18 0.00 1.34 0.00 0.00 72.50 71.97 3dkw s THR 67 CO 0.08 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 173.04 3dkw s PRO 68 N -4.58 0.50 0.00 3.99 0.04 -1.26 -3.66 135.00 130.02 3dkw s PRO 68 Ca 0.67 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3dkw s PRO 68 Cb -0.23 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3dkw s PRO 68 CO 0.61 -2.81 0.00 0.39 0.04 0.00 0.00 177.00 175.23 3dkw n GLU 69 N -4.30 0.00 0.00 4.56 1.02 -1.26 -4.03 120.64 116.63 3dkw n GLU 69 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3dkw n GLU 69 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 3dkw n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dkw n GLY 70 N 0.00 1.82 3.36 0.62 0.00 -1.24 -5.13 105.19 104.62 3dkw n GLY 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 1.37 -0.25 1.61 -1.52 -1.26 -5.07 119.66 114.18 3dkw s GLN 71 Ca 0.00 -1.27 -0.18 0.00 -1.95 0.00 0.00 55.36 51.96 3dkw s GLN 71 Cb 0.00 -1.78 -0.03 0.00 -0.22 0.00 0.00 33.01 30.98 3dkw s GLN 71 CO 0.00 0.42 0.52 -1.21 -0.25 0.00 0.00 175.29 174.77 3dkw s GLU 72 N -1.93 4.09 -0.33 2.91 2.02 -1.26 -3.32 118.70 120.88 3dkw s GLU 72 Ca 0.12 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.34 3dkw s GLU 72 Cb -0.10 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 3dkw s GLU 72 CO 0.05 -0.32 0.19 0.21 0.02 0.00 0.00 175.26 175.41 3dkw s LYS 73 N 2.22 3.36 0.10 1.61 2.20 -1.15 -4.96 119.74 123.12 3dkw s LYS 73 Ca 0.22 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 3dkw s LYS 73 Cb -0.16 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 3dkw s LYS 73 CO 0.09 -0.45 1.14 0.42 -0.36 0.00 0.00 175.35 176.19 3dkw s ILE 74 N 1.65 4.04 -0.23 5.43 -1.09 -1.26 -1.72 121.20 128.01 3dkw s ILE 74 Ca 0.05 1.57 -0.16 0.00 -2.23 0.00 0.00 60.65 59.88 3dkw s ILE 74 Cb -0.17 -4.00 -0.10 0.00 -1.58 0.00 0.00 42.46 36.61 3dkw s ILE 74 CO 0.08 0.18 -0.33 0.18 -1.23 0.00 0.00 174.94 173.81 3dkw n LEU 75 N 3.32 1.94 -3.66 2.97 4.32 -1.26 -4.93 117.00 119.70 3dkw n LEU 75 Ca 0.06 0.35 -0.15 0.00 -0.02 0.00 0.00 56.01 56.25 3dkw n LEU 75 Cb 0.47 -0.79 -0.08 0.00 -1.62 0.00 0.00 43.42 41.39 3dkw n LEU 75 CO 0.55 0.20 0.26 -1.83 -1.22 0.00 0.00 177.39 175.34 3dkw s GLU 76 N -2.66 0.75 -0.22 3.23 -1.05 -1.26 -5.03 118.70 112.46 3dkw s GLU 76 Ca -0.34 0.50 -0.07 0.00 -0.15 0.00 0.00 54.97 54.92 3dkw s GLU 76 Cb 0.10 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 3dkw s GLU 76 CO 0.46 -0.15 0.05 0.08 0.95 0.00 0.00 175.26 176.65 3dkw s VAL 77 N -0.31 4.31 -0.16 1.83 1.01 -1.26 -3.89 120.40 121.94 3dkw s VAL 77 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 3dkw s VAL 77 Cb -0.03 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3dkw s VAL 77 CO 0.03 0.39 0.41 -0.89 0.00 0.00 0.00 175.10 175.04 3dkw s THR 78 N 1.19 5.22 0.00 3.92 2.01 -1.17 -5.05 115.64 121.77 3dkw s THR 78 Ca 0.04 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.82 3dkw s THR 78 Cb -0.14 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.62 3dkw s THR 78 CO 0.03 0.32 0.00 0.59 -0.69 0.00 0.00 174.62 174.87 3dkw n ASN 79 N 3.90 0.01 -4.77 3.53 3.02 -1.26 -3.26 115.26 116.42 3dkw n ASN 79 Ca -0.09 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.81 3dkw n ASN 79 Cb 0.51 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 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 1.41 2.94 -1.41 3.52 -1.05 -1.26 -3.69 118.70 119.17 3dkw s GLU 80 Ca 0.00 1.46 -0.07 0.00 -0.15 0.00 0.00 54.97 56.21 3dkw s GLU 80 Cb 0.00 -1.96 0.04 0.00 -0.44 0.00 0.00 34.13 31.77 3dkw s GLU 80 CO 0.00 -1.15 0.85 0.54 0.95 0.00 0.00 175.26 176.45 3dkw n ARG 81 N -2.11 -5.34 -3.72 -4.83 1.74 -0.67 -4.99 116.66 96.74 3dkw n ARG 81 Ca 0.11 0.62 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 3dkw n ARG 81 Cb 0.52 -5.35 -0.11 0.00 -1.02 0.00 0.00 32.46 26.50 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 -3.83 -0.44 0.22 0.55 0.01 -1.24 -5.03 114.94 105.18 3dkw s ASN 82 Ca 0.34 0.81 -0.13 0.00 -0.71 0.00 0.00 52.86 53.16 3dkw s ASN 82 Cb -0.17 0.76 -0.08 0.00 0.41 0.00 0.00 41.25 42.18 3dkw s ASN 82 CO 0.82 -0.16 0.60 0.42 -1.51 0.00 0.00 177.10 177.27 3dkw s THR 83 N 0.77 4.82 0.01 1.60 -4.23 -1.26 -3.19 115.64 114.16 3dkw s THR 83 Ca -0.05 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 3dkw s THR 83 Cb -0.06 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 3dkw s THR 83 CO -0.06 0.05 -0.02 0.72 -0.54 0.00 0.00 174.62 174.77 3dkw s PHE 84 N -1.69 0.19 -0.39 3.99 -0.71 -1.10 -4.82 117.98 113.45 3dkw s PHE 84 Ca 0.45 -0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.16 3dkw s PHE 84 Cb -0.13 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.55 3dkw s PHE 84 CO 0.20 -0.05 0.00 0.00 -1.34 0.00 0.00 175.22 174.02 3dkw n ALA 85 N 2.57 -0.06 0.44 1.99 0.00 -1.26 -3.52 120.51 120.67 3dkw n ALA 85 Ca -0.16 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3dkw n ALA 85 Cb 0.58 -0.78 0.23 0.00 0.00 0.00 0.00 19.45 19.48 3dkw n ALA 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3dkw h GLU 86 N 0.00 0.00 0.00 0.00 9.09 -1.90 -3.22 114.58 118.55 3dkw h GLU 86 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3dkw h GLU 86 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3dkw h GLU 86 CO 0.11 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.17 3dkw h ALA 87 N 2.32 1.00 0.00 1.06 0.00 -1.98 -2.98 119.26 118.68 3dkw h ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dkw h ALA 87 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dkw h ALA 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 3dkw n MET 88 N -2.78 0.11 0.00 0.00 2.81 -1.22 -2.98 117.12 113.07 3dkw n MET 88 Ca 0.03 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 3dkw n MET 88 Cb 0.38 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3dkw n MET 88 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3dkw n MET 89 N -1.93 0.00 0.00 0.03 2.81 -1.13 -3.20 117.12 113.70 3dkw n MET 89 Ca 0.03 0.24 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 3dkw n MET 89 Cb 0.20 -0.89 0.23 0.00 -0.71 0.00 0.00 33.22 32.04 3dkw n MET 89 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 3dkw n PHE 90 N -1.21 0.00 0.48 2.03 1.16 -1.25 -1.14 117.46 117.53 3dkw n PHE 90 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.70 3dkw n PHE 90 Cb 0.00 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 37.95 3dkw n PHE 90 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3dkw n MET 91 N -0.72 0.35 -2.76 3.97 2.81 -1.16 -4.98 117.12 114.64 3dkw n MET 91 Ca 0.06 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 3dkw n MET 91 Cb 0.03 -1.67 0.02 0.00 -0.71 0.00 0.00 33.22 30.89 3dkw n MET 91 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dkw n ASP 92 N -2.15 -4.25 -4.67 7.83 9.92 -0.29 -4.99 116.55 117.94 3dkw n ASP 92 Ca 0.02 -0.19 -0.41 0.00 -0.53 0.00 0.00 54.79 53.68 3dkw n ASP 92 Cb 0.46 -3.09 -0.04 0.00 -0.64 0.00 0.00 41.12 37.80 3dkw n ASP 92 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dkw s THR 93 N -2.94 4.93 0.14 -3.53 -4.23 -1.19 -4.96 115.64 103.85 3dkw s THR 93 Ca 0.20 1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 62.11 3dkw s THR 93 Cb -0.09 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.62 3dkw s THR 93 CO 0.25 0.07 1.47 1.55 -0.54 0.00 0.00 174.62 177.42 3dkw h PRO 94 N 7.30 0.93 -5.59 3.99 0.13 -1.90 -3.41 132.00 133.44 3dkw h PRO 94 Ca -0.31 -0.49 -0.48 0.00 -0.87 0.00 0.00 66.00 63.85 3dkw h PRO 94 Cb 1.14 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3dkw h PRO 94 CO 0.81 1.14 -0.71 -0.80 -0.23 0.00 0.00 178.00 178.21 3dkw s ASN 95 N -6.81 2.74 0.37 1.44 0.01 -1.26 0.57 114.94 112.01 3dkw s ASN 95 Ca -0.11 -1.10 -0.25 0.00 -0.71 0.00 0.00 52.86 50.69 3dkw s ASN 95 Cb 0.11 -0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.51 3dkw s ASN 95 CO 0.88 -0.24 1.04 -0.31 -1.51 0.00 0.00 177.10 176.96 3dkw s TYR 96 N -2.96 3.36 -0.25 2.20 2.02 -0.35 -4.65 117.35 116.73 3dkw s TYR 96 Ca 0.26 1.67 0.16 0.00 -0.37 0.00 0.00 57.07 58.79 3dkw s TYR 96 Cb 0.01 -3.12 0.48 0.00 -0.40 0.00 0.00 41.96 38.92 3dkw s TYR 96 CO 0.10 -0.51 1.37 1.33 -1.57 0.00 0.00 175.55 176.27 3dkw n VAL 97 N 0.18 2.10 -3.76 0.71 0.24 -1.26 -3.03 118.33 113.51 3dkw n VAL 97 Ca 0.04 -1.81 -0.11 0.00 -2.04 0.00 0.00 64.34 60.41 3dkw n VAL 97 Cb 0.49 -0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.62 -0.64 -0.66 2.33 0.00 -1.26 -4.89 121.76 114.02 3dkw s ALA 98 Ca 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 3dkw s ALA 98 Cb 0.31 0.35 0.17 0.00 0.00 0.00 0.00 23.12 23.95 3dkw s ALA 98 CO 0.09 -0.43 0.49 0.99 0.00 0.00 0.00 175.76 176.90 3dkw s THR 99 N -2.71 3.92 0.38 0.00 2.01 -1.21 -3.10 115.64 114.93 3dkw s THR 99 Ca -0.04 -2.99 -0.26 0.00 0.31 0.00 0.00 61.69 58.71 3dkw s THR 99 Cb -0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 3dkw s THR 99 CO -0.04 -0.91 1.20 0.00 -0.69 0.00 0.00 174.62 174.18 3dkw s ALA 100 N -0.15 3.24 -0.10 7.40 0.00 -0.48 -4.67 121.76 127.00 3dkw s ALA 100 Ca 0.18 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 3dkw s ALA 100 Cb -0.19 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.57 3dkw s ALA 100 CO -0.04 -0.55 0.44 -1.14 0.00 0.00 0.00 175.76 174.47 3dkw s GLN 101 N -2.14 0.66 -0.23 0.00 0.74 0.38 -1.26 119.66 117.81 3dkw s GLN 101 Ca 0.55 0.30 -0.11 0.00 0.05 0.00 0.00 55.36 56.15 3dkw s GLN 101 Cb -0.33 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 3dkw s GLN 101 CO 0.42 -0.15 0.16 0.00 -0.55 0.00 0.00 175.29 175.18 3dkw s ALA 102 N -0.52 3.62 0.10 1.58 0.00 0.55 -0.17 121.76 126.92 3dkw s ALA 102 Ca -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 3dkw s ALA 102 Cb -0.03 -2.31 -0.17 0.00 0.00 0.00 0.00 23.12 20.60 3dkw s ALA 102 CO 0.03 -0.14 1.23 -0.39 0.00 0.00 0.00 175.76 176.50 3dkw h VAL 103 N 4.96 1.41 -3.78 0.00 -1.51 -1.82 -1.59 116.25 113.91 3dkw h VAL 103 Ca -0.38 -2.62 -0.57 0.00 -1.23 0.00 0.00 66.70 61.90 3dkw h VAL 103 Cb 1.17 2.61 -0.21 0.00 -2.13 0.00 0.00 31.29 32.72 3dkw h VAL 103 CO 0.68 0.78 -0.82 0.68 -1.23 0.00 0.00 177.57 177.65 3dkw s VAL 104 N -3.06 1.81 -0.80 7.19 -7.23 -1.25 -4.16 120.40 112.90 3dkw s VAL 104 Ca -0.06 -1.65 -0.32 0.00 -1.81 0.00 0.00 61.98 58.14 3dkw s VAL 104 Cb 0.08 -1.68 -0.18 0.00 0.56 0.00 0.00 36.38 35.16 3dkw s VAL 104 CO 0.88 -0.09 2.55 -2.65 -0.31 0.00 0.00 175.10 175.48 3dkw n PRO 105 N 0.89 0.26 -4.36 4.82 -0.02 -1.26 -4.48 135.00 130.85 3dkw n PRO 105 Ca -0.18 0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.09 3dkw n PRO 105 Cb 0.54 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 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 9.10 4.17 -0.09 2.55 0.01 -0.99 -4.75 113.70 123.71 3dkw s SER 106 Ca 1.26 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 57.71 3dkw s SER 106 Cb -1.07 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3dkw s SER 106 CO 0.47 -0.02 -0.16 -1.58 0.41 0.00 0.00 173.24 172.36 3dkw s GLN 107 N -3.63 2.17 0.11 12.44 0.74 -1.06 -1.63 119.66 128.81 3dkw s GLN 107 Ca 0.31 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 55.20 3dkw s GLN 107 Cb -0.05 -1.79 -0.04 0.00 1.10 0.00 0.00 33.01 32.23 3dkw s GLN 107 CO 0.18 0.01 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.32 3dkw s LEU 108 N 0.77 2.46 -0.00 3.68 1.02 -0.04 -2.08 118.68 124.49 3dkw s LEU 108 Ca -0.11 -0.90 -0.02 0.00 0.02 0.00 0.00 54.13 53.11 3dkw s LEU 108 Cb -0.16 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.72 3dkw s LEU 108 CO 0.02 -0.31 0.17 -0.36 0.02 0.00 0.00 176.35 175.89 3dkw s PHE 109 N -2.87 3.51 -0.48 0.29 0.40 -0.41 -0.64 117.98 117.78 3dkw s PHE 109 Ca 0.10 0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 3dkw s PHE 109 Cb -0.00 -1.81 0.13 0.00 0.51 0.00 0.00 43.02 41.85 3dkw s PHE 109 CO -0.00 0.63 0.23 0.50 0.70 0.00 0.00 175.22 177.27 3dkw s ARG 110 N -1.97 1.94 -0.01 0.44 3.52 -0.94 -2.13 118.95 119.80 3dkw s ARG 110 Ca 0.27 -2.35 -0.20 0.00 -0.13 0.00 0.00 55.73 53.33 3dkw s ARG 110 Cb -0.13 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3dkw s ARG 110 CO 0.19 -1.07 0.56 -0.06 -0.81 0.00 0.00 175.30 174.11 3dkw s PHE 111 N 0.18 3.68 0.24 5.12 0.40 -0.91 -3.04 117.98 123.65 3dkw s PHE 111 Ca 0.15 1.16 -0.30 0.00 -0.60 0.00 0.00 56.93 57.34 3dkw s PHE 111 Cb -0.23 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 40.65 3dkw s PHE 111 CO -0.03 0.38 1.08 0.45 0.70 0.00 0.00 175.22 177.80 3dkw s SER 112 N -0.28 7.31 0.23 1.36 0.15 -1.26 -1.65 113.70 119.56 3dkw s SER 112 Ca 0.30 2.17 0.05 0.00 0.70 0.00 0.00 55.95 59.16 3dkw s SER 112 Cb -0.18 -2.62 0.23 0.00 -1.71 0.00 0.00 66.02 61.74 3dkw s SER 112 CO 0.16 -0.13 1.54 0.78 1.20 0.00 0.00 173.24 176.79 3dkw h ASN 113 N 4.30 0.24 1.07 5.45 2.35 -1.06 -2.93 115.58 125.01 3dkw h ASN 113 Ca -0.46 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.10 3dkw h ASN 113 Cb 1.21 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3dkw h ASN 113 CO 0.69 0.81 -0.24 0.11 -1.65 0.00 0.00 177.43 177.16 3dkw h LYS 114 N 0.15 0.00 -0.01 0.81 1.57 -1.93 -0.17 116.57 116.99 3dkw h LYS 114 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dkw h LYS 114 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3dkw h LYS 114 CO 0.10 0.24 -0.18 0.00 -0.57 0.00 0.00 179.45 179.04 3dkw n ALA 115 N -2.21 2.92 -0.05 3.86 0.00 -1.15 -3.69 120.51 120.20 3dkw n ALA 115 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 3dkw n ALA 115 Cb 0.47 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3dkw n ALA 115 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3dkw n TYR 116 N -0.06 0.00 -0.13 0.00 9.36 -1.07 -4.48 117.16 120.77 3dkw n TYR 116 Ca 0.14 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.28 3dkw n TYR 116 Cb 0.40 -0.34 0.06 0.00 -0.63 0.00 0.00 39.34 38.83 3dkw n TYR 116 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3dkw h LEU 117 N -0.15 0.89 -1.10 2.98 3.38 -1.22 -2.92 115.31 117.17 3dkw h LEU 117 Ca -0.22 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 3dkw h LEU 117 Cb 1.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3dkw h LEU 117 CO -0.08 1.04 -0.31 0.03 0.09 0.00 0.00 178.44 179.21 3dkw h ARG 118 N 0.78 0.24 -0.02 1.13 3.08 -1.77 -1.77 114.38 116.05 3dkw h ARG 118 Ca 0.12 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3dkw h ARG 118 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3dkw h ARG 118 CO 0.05 0.54 -0.39 1.96 -1.07 0.00 0.00 179.97 181.06 3dkw h GLN 119 N 0.22 0.05 0.00 0.04 4.20 -1.74 -2.49 115.11 115.38 3dkw h GLN 119 Ca 0.03 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3dkw h GLN 119 Cb 0.66 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3dkw h GLN 119 CO 0.05 0.44 -0.65 -0.07 -0.67 0.00 0.00 178.83 177.93 3dkw h LEU 120 N 0.04 0.00 -9.72 1.46 3.38 -1.25 -3.45 115.31 105.77 3dkw h LEU 120 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.46 3dkw h LEU 120 Cb 0.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.49 3dkw h LEU 120 CO 0.05 0.65 0.54 -1.58 0.09 0.00 0.00 178.44 178.19 3dkw s GLN 121 N -3.04 4.52 0.52 1.13 0.74 -0.72 -4.56 119.66 118.26 3dkw s GLN 121 Ca 0.02 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3dkw s GLN 121 Cb 0.09 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.99 3dkw s GLN 121 CO 0.76 -0.02 0.00 -0.25 -0.55 0.00 0.00 175.29 175.24 3dkw n ASP 122 N 2.04 -7.37 -3.16 6.67 8.00 -1.26 -4.89 116.55 116.58 3dkw n ASP 122 Ca 0.03 1.61 -0.15 0.00 0.71 0.00 0.00 54.79 56.99 3dkw n ASP 122 Cb 0.44 -4.34 0.08 0.00 -0.02 0.00 0.00 41.12 37.28 3dkw n ASP 122 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dkw n ASN 123 N -2.64 -2.69 -0.38 -2.24 3.02 -1.26 -4.87 115.26 104.19 3dkw n ASN 123 Ca -0.01 -0.57 0.32 0.00 -0.03 0.00 0.00 54.58 54.29 3dkw n ASN 123 Cb 0.44 -4.67 0.63 0.00 -0.61 0.00 0.00 39.78 35.58 3dkw n ASN 123 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3dkw h THR 124 N -1.59 0.35 -1.16 3.41 1.35 -1.90 -1.52 112.91 111.85 3dkw h THR 124 Ca -0.53 -0.06 0.34 0.00 -0.55 0.00 0.00 66.41 65.60 3dkw h THR 124 Cb 1.30 0.16 -0.05 0.00 -1.73 0.00 0.00 68.15 67.83 3dkw h THR 124 CO 0.44 0.03 1.10 -2.65 -0.25 0.00 0.00 175.52 174.19 3dkw n PRO 125 N -4.47 0.01 0.03 4.72 -0.02 -1.26 0.19 135.00 134.20 3dkw n PRO 125 Ca 0.30 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.56 3dkw n PRO 125 Cb 1.20 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 32.46 3dkw n PRO 125 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dkw h LEU 126 N 0.00 -0.15 -2.02 2.45 3.38 -1.62 -1.49 115.31 115.87 3dkw h LEU 126 Ca 0.55 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3dkw h LEU 126 Cb 2.75 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.53 3dkw h LEU 126 CO -0.01 0.44 0.19 0.00 0.09 0.00 0.00 178.44 179.16 3dkw h ALA 127 N -0.28 2.22 -0.21 1.53 0.00 0.19 0.55 119.26 123.25 3dkw h ALA 127 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3dkw h ALA 127 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dkw h ALA 127 CO 0.03 -0.32 -0.47 1.25 0.00 0.00 0.00 179.25 179.73 3dkw h LEU 128 N 0.00 0.60 -0.16 0.00 6.46 -0.70 -1.72 115.31 119.78 3dkw h LEU 128 Ca 0.12 -0.29 -0.20 0.00 -0.12 0.00 0.00 57.88 57.39 3dkw h LEU 128 Cb 0.50 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3dkw h LEU 128 CO -0.00 0.98 -0.95 0.00 -0.62 0.00 0.00 178.44 177.85 3dkw h ALA 129 N 1.04 0.45 -0.49 1.25 0.00 0.34 -2.69 119.26 119.16 3dkw h ALA 129 Ca 0.03 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 3dkw h ALA 129 Cb 0.99 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3dkw h ALA 129 CO 0.09 1.07 -0.06 -0.07 0.00 0.00 0.00 179.25 180.28 3dkw h LEU 130 N 0.03 0.90 -1.06 0.00 3.38 0.05 -2.58 115.31 116.05 3dkw h LEU 130 Ca -0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3dkw h LEU 130 Cb 1.64 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3dkw h LEU 130 CO 0.13 1.03 -0.16 -0.07 0.09 0.00 0.00 178.44 179.46 3dkw h LEU 131 N 0.76 0.00 0.37 1.67 3.38 -1.36 -2.00 115.31 118.14 3dkw h LEU 131 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dkw h LEU 131 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3dkw h LEU 131 CO 0.04 0.16 -0.18 0.00 0.09 0.00 0.00 178.44 178.55 3dkw h ALA 132 N 1.84 -0.50 0.00 1.53 0.00 -1.12 -2.83 119.26 118.20 3dkw h ALA 132 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3dkw h ALA 132 Cb 0.74 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dkw h ALA 132 CO 0.02 -0.55 -0.14 0.87 0.00 0.00 0.00 179.25 179.46 3dkw h LYS 133 N -0.96 0.00 0.00 0.00 1.57 -1.55 -2.79 116.57 112.84 3dkw h LYS 133 Ca -0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3dkw h LYS 133 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3dkw h LYS 133 CO 0.08 0.14 -0.39 1.25 -0.57 0.00 0.00 179.45 179.96 3dkw h LEU 134 N 0.00 0.00 0.06 2.94 5.85 -1.43 -2.77 115.31 119.96 3dkw h LEU 134 Ca -0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3dkw h LEU 134 Cb 0.98 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3dkw h LEU 134 CO 0.02 0.39 -1.26 0.77 -0.34 0.00 0.00 178.44 178.02 3dkw h SER 135 N 0.00 0.19 0.13 1.25 4.64 -1.43 -3.13 113.55 115.20 3dkw h SER 135 Ca -0.00 -0.74 -0.01 0.00 -0.47 0.00 0.00 61.79 60.56 3dkw h SER 135 Cb 1.05 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3dkw h SER 135 CO 0.05 1.53 -0.04 0.00 -0.87 0.00 0.00 176.83 177.49 3dkw h THR 136 N -0.62 0.52 0.00 2.95 1.03 -1.57 -0.51 112.91 114.71 3dkw h THR 136 Ca -0.30 -0.19 -0.12 0.00 -0.01 0.00 0.00 66.41 65.79 3dkw h THR 136 Cb 1.52 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 3dkw h THR 136 CO -0.05 0.04 -0.95 0.03 -0.01 0.00 0.00 175.52 174.58 3dkw h ARG 137 N 0.00 0.00 0.00 0.00 3.08 -1.63 -3.20 114.38 112.63 3dkw h ARG 137 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3dkw h ARG 137 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3dkw h ARG 137 CO 0.01 0.32 -0.21 1.25 -1.07 0.00 0.00 179.97 180.26 3dkw h LEU 138 N 0.00 0.00 0.00 3.04 6.46 -1.06 -2.91 115.31 120.84 3dkw h LEU 138 Ca -0.07 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.47 3dkw h LEU 138 Cb 1.41 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 3dkw h LEU 138 CO 0.05 0.21 -1.19 0.45 -0.62 0.00 0.00 178.44 177.34 3dkw h HIS 139 N 0.00 0.00 0.00 1.25 3.86 -1.43 -3.05 115.15 115.78 3dkw h HIS 139 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3dkw h HIS 139 Cb 1.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 3dkw h HIS 139 CO 0.00 0.86 -0.51 -0.56 0.86 0.00 0.00 177.93 178.58 3dkw h GLN 140 N 0.00 0.00 -0.20 2.45 3.07 -1.55 -2.20 115.11 116.68 3dkw h GLN 140 Ca -0.11 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.42 3dkw h GLN 140 Cb 1.75 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.32 3dkw h GLN 140 CO 0.09 0.51 -0.70 0.00 0.09 0.00 0.00 178.83 178.82 3dkw h ARG 141 N 0.00 0.81 -0.25 0.06 3.08 -1.56 -1.95 114.38 114.57 3dkw h ARG 141 Ca -0.01 -0.61 -0.13 0.00 0.07 0.00 0.00 59.98 59.31 3dkw h ARG 141 Cb 1.24 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3dkw h ARG 141 CO 0.07 1.22 -0.38 0.82 -1.07 0.00 0.00 179.97 180.63 3dkw h ILE 142 N 0.58 1.30 -0.67 2.04 2.04 -1.52 -1.62 117.51 119.66 3dkw h ILE 142 Ca -0.03 -1.53 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 3dkw h ILE 142 Cb 1.32 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3dkw h ILE 142 CO 0.15 0.48 0.13 0.44 0.00 0.00 0.00 178.15 179.35 3dkw h ASP 143 N 0.47 1.03 -0.37 1.72 3.32 -1.35 -0.29 116.42 120.95 3dkw h ASP 143 Ca 0.04 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 3dkw h ASP 143 Cb 0.87 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3dkw h ASP 143 CO 0.07 1.00 -0.24 -0.33 -1.72 0.00 0.00 179.24 178.03 3dkw h GLU 144 N 1.02 0.88 -0.59 3.56 5.08 -1.18 -2.70 114.58 120.65 3dkw h GLU 144 Ca 0.21 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3dkw h GLU 144 Cb 0.40 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3dkw h GLU 144 CO 0.01 1.02 0.08 0.82 -1.00 0.00 0.00 179.01 179.93 3dkw h ILE 145 N 0.76 1.25 -0.09 3.13 2.04 -0.99 0.16 117.51 123.77 3dkw h ILE 145 Ca 0.10 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3dkw h ILE 145 Cb 0.78 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3dkw h ILE 145 CO 0.07 0.37 -0.09 -0.33 0.00 0.00 0.00 178.15 178.16 3dkw h GLU 146 N 0.91 0.13 0.11 2.37 5.08 -0.86 0.21 114.58 122.53 3dkw h GLU 146 Ca 0.18 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.24 3dkw h GLU 146 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3dkw h GLU 146 CO 0.01 0.23 -1.44 1.79 -1.00 0.00 0.00 179.01 178.60 3dkw h THR 147 N 0.13 1.00 -0.23 1.13 1.35 -1.13 -3.18 112.91 111.98 3dkw h THR 147 Ca 0.03 -2.39 -0.04 0.00 -0.55 0.00 0.00 66.41 63.46 3dkw h THR 147 Cb 0.25 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 3dkw h THR 147 CO 0.01 0.70 0.00 -0.07 -0.25 0.00 0.00 175.52 175.92 3dkw h LEU 148 N -0.30 0.39 -1.89 3.87 3.38 -0.57 -1.93 115.31 118.25 3dkw h LEU 148 Ca -0.31 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3dkw h LEU 148 Cb 1.76 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 3dkw h LEU 148 CO 0.05 0.60 -0.12 0.77 0.09 0.00 0.00 178.44 179.84 3dkw h SER 149 N 0.17 0.00 0.36 -0.43 4.64 -0.76 -1.52 113.55 116.01 3dkw h SER 149 Ca 0.06 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 3dkw h SER 149 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3dkw h SER 149 CO 0.01 0.12 -0.73 0.25 -0.87 0.00 0.00 176.83 175.61 3dkw h LEU 150 N 0.00 0.37 -0.45 5.97 5.85 -1.46 -2.57 115.31 123.03 3dkw h LEU 150 Ca -0.00 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 3dkw h LEU 150 Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3dkw h LEU 150 CO 0.02 0.97 0.03 0.50 -0.34 0.00 0.00 178.44 179.61 3dkw h LYS 151 N 0.21 0.77 0.00 1.25 3.64 -0.50 0.46 116.57 122.40 3dkw h LYS 151 Ca -0.03 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 3dkw h LYS 151 Cb 1.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3dkw h LYS 151 CO 0.12 0.82 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.95 3dkw h ASN 152 N 0.62 0.00 -0.06 4.20 2.35 -1.46 -1.17 115.58 120.05 3dkw h ASN 152 Ca 0.13 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 3dkw h ASN 152 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3dkw h ASN 152 CO 0.02 0.26 -0.35 0.00 -1.65 0.00 0.00 177.43 175.71 3dkw h ALA 153 N 1.74 0.13 0.00 -0.83 0.00 -1.02 -2.71 119.26 116.57 3dkw h ALA 153 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3dkw h ALA 153 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dkw h ALA 153 CO 0.03 0.21 -0.05 1.79 0.00 0.00 0.00 179.25 181.23 3dkw h THR 154 N -0.15 0.21 0.08 0.00 1.35 -0.71 -2.78 112.91 110.91 3dkw h THR 154 Ca -0.03 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3dkw h THR 154 Cb 1.01 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3dkw h THR 154 CO 0.07 0.05 -0.04 0.45 -0.25 0.00 0.00 175.52 175.80 3dkw h HIS 155 N 0.00 -0.10 -0.96 4.73 -0.00 -1.14 -3.26 115.15 114.42 3dkw h HIS 155 Ca -0.00 -0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.53 3dkw h HIS 155 Cb 0.33 0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 27.68 3dkw h HIS 155 CO 0.00 -0.06 0.61 0.00 -0.00 0.00 0.00 177.93 178.48 3dkw h ARG 156 N -0.24 0.71 0.07 2.45 3.08 -1.51 -0.56 114.38 118.37 3dkw h ARG 156 Ca -0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3dkw h ARG 156 Cb 0.08 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3dkw h ARG 156 CO 0.02 0.47 -0.19 0.28 -1.07 0.00 0.00 179.97 179.48 3dkw h VAL 157 N 0.73 0.56 -0.09 2.04 2.07 -1.64 0.11 116.25 120.04 3dkw h VAL 157 Ca 0.51 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.89 3dkw h VAL 157 Cb 0.82 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3dkw h VAL 157 CO -0.28 0.00 -0.56 0.58 0.02 0.00 0.00 177.57 177.34 3dkw h VAL 158 N -0.34 1.37 -0.57 2.57 2.07 -1.44 -2.99 116.25 116.91 3dkw h VAL 158 Ca 0.04 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 3dkw h VAL 158 Cb 0.38 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3dkw h VAL 158 CO -0.13 0.55 -0.05 0.03 0.02 0.00 0.00 177.57 177.99 3dkw h ARG 159 N 0.20 1.04 0.00 1.57 2.47 -0.75 -1.13 114.38 117.78 3dkw h ARG 159 Ca 0.00 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.36 3dkw h ARG 159 Cb 1.04 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3dkw h ARG 159 CO 0.09 1.04 -0.05 -0.92 0.56 0.00 0.00 179.97 180.69 3dkw h TYR 160 N 0.94 0.00 0.08 3.04 3.20 -0.74 -2.67 116.97 120.82 3dkw h TYR 160 Ca 0.16 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.73 3dkw h TYR 160 Cb 0.61 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3dkw h TYR 160 CO 0.04 0.05 -1.57 -0.07 -1.64 0.00 0.00 178.16 174.97 3dkw h LEU 161 N 0.00 0.28 -0.62 2.82 3.38 -1.32 -3.36 115.31 116.49 3dkw h LEU 161 Ca -0.00 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3dkw h LEU 161 Cb 0.62 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dkw h LEU 161 CO 0.01 1.37 -0.64 -0.07 0.09 0.00 0.00 178.44 179.19 3dkw h LEU 162 N 0.05 0.22 -1.39 1.67 3.38 -1.05 -0.06 115.31 118.12 3dkw h LEU 162 Ca -0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 3dkw h LEU 162 Cb 2.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 3dkw h LEU 162 CO 0.13 0.80 -0.30 0.00 0.09 0.00 0.00 178.44 179.16 3dkw h THR 163 N 0.14 1.09 0.00 0.22 1.03 -1.63 -1.91 112.91 111.85 3dkw h THR 163 Ca -0.01 -1.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 3dkw h THR 163 Cb 1.16 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 3dkw h THR 163 CO 0.10 0.30 -0.98 0.00 -0.01 0.00 0.00 175.52 174.92 3dkw n LEU 164 N -4.00 0.77 0.01 0.00 -0.00 -1.17 -4.12 117.00 108.50 3dkw n LEU 164 Ca -0.02 -0.44 0.13 0.00 -0.00 0.00 0.00 56.01 55.67 3dkw n LEU 164 Cb 0.36 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.13 3dkw n LEU 164 CO 0.37 0.19 0.59 0.00 -0.00 0.00 0.00 177.39 178.54 3dkw n ALA 165 N -1.52 3.08 -0.51 1.47 0.00 -0.05 -4.23 120.51 118.76 3dkw n ALA 165 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 3dkw n ALA 165 Cb 0.31 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.56 3.96 -3.64 0.00 0.00 -0.75 -4.52 120.51 113.99 3dkw n ALA 166 Ca 0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 3dkw n ALA 166 Cb 0.36 -1.71 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 3dkw n ALA 166 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dkw s HIS 167 N 0.99 1.79 0.00 0.00 5.04 -1.26 -4.91 115.29 116.94 3dkw s HIS 167 Ca 0.20 -2.35 0.00 0.00 -1.54 0.00 0.00 55.06 51.37 3dkw s HIS 167 Cb 0.10 -1.67 0.00 0.00 0.04 0.00 0.00 32.58 31.05 3dkw s HIS 167 CO 0.00 -0.78 0.00 0.00 -2.34 0.00 0.00 174.74 171.62 3dkw n ALA 168 N 3.41 -2.58 -0.39 1.58 0.00 -1.26 -4.89 120.51 116.37 3dkw n ALA 168 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.30 3dkw n ALA 168 Cb 0.37 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.05 3dkw n ALA 168 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dkw n PRO 169 N -0.53 -3.45 0.00 0.00 -0.02 -1.26 -4.37 135.00 125.36 3dkw n PRO 169 Ca 0.00 -1.02 0.00 0.00 -2.02 0.00 0.00 63.50 60.46 3dkw n PRO 169 Cb 0.07 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3dkw n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkw n GLY 170 N 1.95 1.57 3.07 -1.23 0.00 -1.26 -4.76 105.19 104.53 3dkw n GLY 170 Ca 0.08 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3dkw n GLY 170 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dkw s GLU 171 N 0.00 2.45 -0.20 1.61 2.56 -1.26 -4.62 118.70 119.24 3dkw s GLU 171 Ca 0.00 -2.51 -0.29 0.00 0.00 0.00 0.00 54.97 52.17 3dkw s GLU 171 Cb 0.00 -3.66 -0.00 0.00 2.00 0.00 0.00 34.13 32.47 3dkw s GLU 171 CO 0.00 -1.16 1.12 -0.80 -0.56 0.00 0.00 175.26 173.87 3dkw s ASN 172 N 0.59 7.05 0.00 -1.70 0.01 -1.25 -4.80 114.94 114.84 3dkw s ASN 172 Ca 0.17 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 53.83 3dkw s ASN 172 Cb -0.21 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3dkw s ASN 172 CO -0.03 -0.69 0.00 0.00 -1.51 0.00 0.00 177.10 174.87 3dkw s ARG 174 N -0.01 3.49 -0.23 0.00 0.52 -1.26 -4.72 118.95 116.73 3dkw s ARG 174 Ca 0.00 -1.26 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 3dkw s ARG 174 Cb 0.00 -4.92 0.05 0.00 0.52 0.00 0.00 34.95 30.60 3dkw s ARG 174 CO 0.00 -1.98 -0.12 0.08 0.02 0.00 0.00 175.30 173.30 3dkw s VAL 175 N 4.00 2.01 0.00 3.52 1.01 -1.26 -4.63 120.40 125.06 3dkw s VAL 175 Ca 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3dkw s VAL 175 Cb -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3dkw s VAL 175 CO -0.05 0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.53 3dkw n GLU 176 N 4.53 0.00 -2.11 2.72 -0.58 -1.26 -4.68 120.64 119.25 3dkw n GLU 176 Ca -0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.57 3dkw n GLU 176 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 3dkw n GLU 176 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dkw n ILE 177 N 0.00 -6.55 0.47 -3.67 5.41 -1.26 -4.83 119.36 108.93 3dkw n ILE 177 Ca 0.00 0.63 0.00 0.00 1.00 0.00 0.00 62.75 64.38 3dkw n ILE 177 Cb 0.00 -5.50 0.00 0.00 -0.71 0.00 0.00 39.64 33.43 3dkw n ILE 177 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3dkw n PRO 178 N -0.07 0.42 -3.48 0.38 -0.02 -1.26 -4.76 135.00 126.21 3dkw n PRO 178 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.31 3dkw n PRO 178 Cb 0.12 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.12 4.39 -0.57 -1.45 1.01 -1.26 -5.08 120.40 116.32 3dkw s VAL 179 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3dkw s VAL 179 Cb 0.00 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.98 3dkw s VAL 179 CO 0.00 -0.26 0.37 0.00 0.00 0.00 0.00 175.10 175.22 3dkw s ALA 180 N -2.22 3.47 0.00 5.51 0.00 -1.26 -4.84 121.76 122.42 3dkw s ALA 180 Ca 0.43 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 49.25 3dkw s ALA 180 Cb -0.10 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3dkw s ALA 180 CO 0.32 -2.04 0.00 1.63 0.00 0.00 0.00 175.76 175.67 3dkw n LYS 181 N 3.62 0.00 -0.31 0.00 5.02 -1.26 -1.90 118.16 123.33 3dkw n LYS 181 Ca 0.06 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.50 3dkw n LYS 181 Cb 0.38 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.71 3dkw n LYS 181 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3dkw h GLN 182 N 0.00 0.29 -0.88 1.97 1.08 -1.95 -0.43 115.11 115.19 3dkw h GLN 182 Ca 0.00 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3dkw h GLN 182 Cb 0.00 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 3dkw h GLN 182 CO 0.00 0.19 0.58 -0.07 -0.95 0.00 0.00 178.83 178.58 3dkw h LEU 183 N 0.30 0.94 -1.30 1.46 3.38 -1.78 -1.38 115.31 116.94 3dkw h LEU 183 Ca 0.58 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.50 3dkw h LEU 183 Cb 1.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3dkw h LEU 183 CO -0.60 0.65 -0.23 1.62 0.09 0.00 0.00 178.44 179.97 3dkw h VAL 184 N 1.09 0.65 0.00 1.22 3.04 -1.29 -2.64 116.25 118.32 3dkw h VAL 184 Ca 0.35 -1.05 -0.09 0.00 -1.01 0.00 0.00 66.70 64.90 3dkw h VAL 184 Cb 0.03 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 3dkw h VAL 184 CO -0.11 0.23 -0.43 0.00 -1.01 0.00 0.00 177.57 176.25 3dkw h ALA 185 N 1.77 1.22 0.00 3.17 0.00 -1.18 -2.21 119.26 122.03 3dkw h ALA 185 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3dkw h ALA 185 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dkw h ALA 185 CO 0.03 0.54 -0.49 0.78 0.00 0.00 0.00 179.25 180.12 3dkw h GLY 186 N 1.43 0.00 1.39 0.00 0.00 -1.41 -2.99 103.07 101.48 3dkw h GLY 186 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3dkw h GLY 186 CO 0.06 0.00 -1.42 0.45 0.00 0.00 0.00 176.54 175.63 3dkw h HIS 187 N 0.00 0.55 0.00 5.60 3.86 -1.45 -3.27 115.15 120.44 3dkw h HIS 187 Ca -0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3dkw h HIS 187 Cb 1.27 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.72 3dkw h HIS 187 CO 0.00 1.38 0.00 1.28 0.86 0.00 0.00 177.93 181.45 3dkw n LEU 188 N -3.52 0.00 -3.64 2.43 4.77 -0.85 -4.84 117.00 111.34 3dkw n LEU 188 Ca -0.14 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 3dkw n LEU 188 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 3dkw n LEU 188 CO 0.53 0.00 0.10 -1.54 -1.33 0.00 0.00 177.39 175.15 3dkw n SER 189 N -0.70 -3.46 -4.21 -1.43 3.41 -1.23 -5.00 113.62 101.01 3dkw n SER 189 Ca 0.06 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.87 3dkw n SER 189 Cb 0.03 -4.57 -0.10 0.00 -0.26 0.00 0.00 64.21 59.31 3dkw n SER 189 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3dkw s ILE 190 N -3.42 0.38 0.20 -1.33 -5.25 -1.13 -5.10 121.20 105.56 3dkw s ILE 190 Ca 0.28 -1.95 -0.32 0.00 -0.99 0.00 0.00 60.65 57.66 3dkw s ILE 190 Cb -0.13 -2.16 -0.13 0.00 2.95 0.00 0.00 42.46 42.99 3dkw s ILE 190 CO 0.77 -0.40 1.64 0.00 -1.79 0.00 0.00 174.94 175.16 3dkw n GLN 191 N -0.20 2.49 -0.07 0.37 1.13 -1.26 -4.45 117.38 115.38 3dkw n GLN 191 Ca -0.05 0.90 -0.02 0.00 -1.94 0.00 0.00 57.00 55.89 3dkw n GLN 191 Cb 0.64 -2.70 0.23 0.00 0.11 0.00 0.00 30.24 28.52 3dkw n GLN 191 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3dkw h PRO 192 N 6.10 0.69 0.00 -1.09 0.11 -1.93 -3.01 132.00 132.87 3dkw h PRO 192 Ca -0.44 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 65.37 3dkw h PRO 192 Cb 1.23 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3dkw h PRO 192 CO 0.90 0.67 -0.72 1.49 -0.21 0.00 0.00 178.00 180.14 3dkw h GLU 193 N 0.66 0.00 -0.15 1.05 4.81 -1.97 -3.26 114.58 115.71 3dkw h GLU 193 Ca 0.14 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3dkw h GLU 193 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3dkw h GLU 193 CO 0.01 0.72 -0.38 1.79 -0.73 0.00 0.00 179.01 180.41 3dkw h THR 194 N 0.00 1.30 0.00 0.32 1.35 -1.92 -2.92 112.91 111.04 3dkw h THR 194 Ca -0.01 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 3dkw h THR 194 Cb 1.35 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3dkw h THR 194 CO 0.09 0.45 -0.28 0.15 -0.25 0.00 0.00 175.52 175.68 3dkw h PHE 195 N 0.28 0.00 -0.18 4.73 3.57 -1.59 -1.38 116.94 122.36 3dkw h PHE 195 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dkw h PHE 195 Cb 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3dkw h PHE 195 CO 0.02 0.28 0.00 -1.13 -2.23 0.00 0.00 178.31 175.25 3dkw n SER 196 N -3.99 1.43 -0.02 0.41 3.41 -1.11 -3.00 113.62 110.75 3dkw n SER 196 Ca -0.02 -1.76 -0.01 0.00 -0.26 0.00 0.00 58.87 56.82 3dkw n SER 196 Cb 0.35 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3dkw n SER 196 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dkw n ARG 197 N 0.20 2.13 -0.03 4.33 1.74 -0.60 -4.35 116.66 120.08 3dkw n ARG 197 Ca 0.14 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.00 3dkw n ARG 197 Cb 0.27 -1.14 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 3dkw n ARG 197 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dkw h ILE 198 N 0.00 1.12 -0.59 0.55 2.04 -1.44 -3.04 117.51 116.14 3dkw h ILE 198 Ca -0.10 -2.34 -0.06 0.00 1.00 0.00 0.00 64.86 63.36 3dkw h ILE 198 Cb 0.99 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 3dkw h ILE 198 CO 0.01 0.60 0.12 0.24 0.00 0.00 0.00 178.15 179.11 3dkw h MET 199 N -0.57 0.94 0.00 2.37 2.86 -1.80 -2.16 114.93 116.56 3dkw h MET 199 Ca -0.27 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.05 3dkw h MET 199 Cb 1.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 3dkw h MET 199 CO -0.01 0.86 -0.49 0.45 1.06 0.00 0.00 176.91 178.77 3dkw h HIS 200 N 0.90 0.00 -0.25 -0.22 3.86 -1.76 -2.74 115.15 114.94 3dkw h HIS 200 Ca 0.19 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 3dkw h HIS 200 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3dkw h HIS 200 CO 0.02 0.49 -0.45 -0.09 0.86 0.00 0.00 177.93 178.76 3dkw h ARG 201 N 0.00 0.63 0.00 2.45 2.43 -1.32 -2.45 114.38 116.13 3dkw h ARG 201 Ca -0.00 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 3dkw h ARG 201 Cb 0.94 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3dkw h ARG 201 CO 0.06 0.96 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.99 3dkw h LEU 202 N 0.51 0.00 -0.39 3.80 3.38 -1.25 -2.86 115.31 118.49 3dkw h LEU 202 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3dkw h LEU 202 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3dkw h LEU 202 CO 0.09 0.42 -0.81 1.23 0.09 0.00 0.00 178.44 179.46 3dkw h GLY 203 N 1.67 0.07 1.54 0.83 0.00 -1.28 -2.02 103.07 103.89 3dkw h GLY 203 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 3dkw h GLY 203 CO 0.05 0.11 -0.65 -0.55 0.00 0.00 0.00 176.54 175.51 3dkw h ASP 204 N 0.04 0.53 0.81 0.19 3.32 -1.27 -3.13 116.42 116.91 3dkw h ASP 204 Ca -0.02 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.56 3dkw h ASP 204 Cb 1.42 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3dkw h ASP 204 CO 0.11 1.04 -0.71 -0.33 -1.72 0.00 0.00 179.24 177.63 3dkw h GLU 205 N 0.33 0.00 -0.50 3.56 5.08 -1.53 -3.48 114.58 118.04 3dkw h GLU 205 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dkw h GLU 205 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dkw h GLU 205 CO 0.12 0.71 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 3dkw n GLY 206 N 0.65 0.57 1.06 -3.84 0.00 -1.03 -5.05 105.19 97.54 3dkw n GLY 206 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 0.14 -4.54 -0.61 5.41 -0.79 -4.96 119.36 113.76 3dkw n ILE 207 Ca 0.00 0.05 -0.31 0.00 1.00 0.00 0.00 62.75 63.48 3dkw n ILE 207 Cb 0.11 -1.46 -0.16 0.00 -0.71 0.00 0.00 39.64 37.42 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 -2.00 1.88 0.05 1.39 1.01 -1.20 -2.31 121.20 120.02 3dkw s ILE 208 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3dkw s ILE 208 Cb 0.00 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 3dkw s ILE 208 CO 0.00 0.52 0.42 -1.00 0.00 0.00 0.00 174.94 174.87 3dkw s HIS 209 N 0.93 3.65 -0.12 3.97 3.76 -0.94 -3.75 115.29 122.79 3dkw s HIS 209 Ca -0.05 0.90 0.02 0.00 -0.15 0.00 0.00 55.06 55.78 3dkw s HIS 209 Cb -0.15 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 3dkw s HIS 209 CO -0.03 0.56 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.73 3dkw s LEU 210 N -1.56 2.43 -0.30 0.89 1.43 -1.26 -2.91 118.68 117.38 3dkw s LEU 210 Ca 0.29 -0.44 0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3dkw s LEU 210 Cb -0.15 -1.52 0.48 0.00 0.03 0.00 0.00 46.19 45.02 3dkw s LEU 210 CO 0.16 0.15 1.03 -0.67 0.23 0.00 0.00 176.35 177.26 3dkw n ASP 211 N 3.58 1.88 -1.93 2.29 2.03 -1.03 -5.03 116.55 118.34 3dkw n ASP 211 Ca -0.19 -2.58 -0.01 0.00 0.52 0.00 0.00 54.79 52.54 3dkw n ASP 211 Cb 0.53 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 3dkw n ASP 211 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dkw n GLY 212 N -0.32 -2.61 4.52 0.27 0.00 -1.26 -4.02 105.19 101.77 3dkw n GLY 212 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3dkw n GLY 212 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dkw n ARG 213 N 0.04 0.00 -2.06 1.61 0.63 -1.26 -4.86 116.66 110.76 3dkw n ARG 213 Ca 0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.54 3dkw n ARG 213 Cb 0.05 -0.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.53 3dkw n ARG 213 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3dkw s GLU 214 N 0.00 2.88 -0.22 -0.14 2.12 -1.26 -4.97 118.70 117.12 3dkw s GLU 214 Ca 0.00 0.84 -0.09 0.00 0.36 0.00 0.00 54.97 56.08 3dkw s GLU 214 Cb 0.00 -4.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 3dkw s GLU 214 CO 0.00 -2.42 0.12 0.42 -0.54 0.00 0.00 175.26 172.84 3dkw s ILE 215 N 8.24 5.14 -0.10 -3.70 1.01 -1.26 -2.48 121.20 128.04 3dkw s ILE 215 Ca 0.70 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.48 3dkw s ILE 215 Cb -0.15 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3dkw s ILE 215 CO 0.25 0.39 -0.19 -0.94 0.00 0.00 0.00 174.94 174.44 3dkw s SER 216 N 0.81 2.67 -0.23 3.58 1.04 -1.15 -4.32 113.70 116.10 3dkw s SER 216 Ca 0.06 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 3dkw s SER 216 Cb -0.13 -1.22 -0.05 0.00 0.10 0.00 0.00 66.02 64.72 3dkw s SER 216 CO 0.02 0.10 0.25 -0.63 0.98 0.00 0.00 173.24 173.95 3dkw s ILE 217 N 0.59 5.30 -0.09 -1.02 1.01 0.41 -2.22 121.20 125.18 3dkw s ILE 217 Ca -0.14 0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 3dkw s ILE 217 Cb -0.17 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.57 3dkw s ILE 217 CO 0.05 0.31 0.65 -0.07 0.00 0.00 0.00 174.94 175.87 3dkw h LEU 218 N 7.62 -0.08 -7.78 2.97 3.38 -1.72 -3.32 115.31 116.39 3dkw h LEU 218 Ca -0.37 -0.49 -0.41 0.00 0.09 0.00 0.00 57.88 56.70 3dkw h LEU 218 Cb 1.17 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 41.60 3dkw h LEU 218 CO 0.67 0.61 -0.77 -1.81 0.09 0.00 0.00 178.44 177.23 3dkw s ASP 219 N -5.75 0.96 0.17 -0.43 1.01 -1.26 -4.84 116.67 106.53 3dkw s ASP 219 Ca -0.12 -0.14 0.23 0.00 0.71 0.00 0.00 52.55 53.24 3dkw s ASP 219 Cb -0.01 -0.43 0.21 0.00 1.01 0.00 0.00 42.92 43.70 3dkw s ASP 219 CO 0.44 -0.03 1.23 -0.09 0.21 0.00 0.00 175.17 176.93 3dkw h ARG 220 N 7.02 0.00 0.00 8.23 2.43 -1.90 -3.32 114.38 126.85 3dkw h ARG 220 Ca -0.37 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.72 3dkw h ARG 220 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3dkw h ARG 220 CO 0.48 0.00 -0.35 0.93 -1.51 0.00 0.00 179.97 179.52 3dkw h GLU 221 N 0.00 0.00 -0.21 0.20 5.08 -1.95 -3.03 114.58 114.67 3dkw h GLU 221 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dkw h GLU 221 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3dkw h GLU 221 CO 0.00 0.35 0.00 0.54 -1.00 0.00 0.00 179.01 178.90 3dkw n ARG 222 N -3.39 2.09 -0.00 2.33 1.74 -1.25 -3.87 116.66 114.31 3dkw n ARG 222 Ca 0.01 -1.63 0.06 0.00 -0.77 0.00 0.00 57.85 55.52 3dkw n ARG 222 Cb 0.55 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 3dkw n ARG 222 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dkw n LEU 223 N 0.88 0.29 0.24 0.55 4.77 -1.15 -4.43 117.00 118.14 3dkw n LEU 223 Ca 0.17 -0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3dkw n LEU 223 Cb 0.47 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.16 3dkw n LEU 223 CO 0.15 0.07 0.89 -0.33 -1.33 0.00 0.00 177.39 176.84 3dkw h GLU 224 N 0.00 0.00 0.46 3.23 5.08 -1.66 -3.16 114.58 118.53 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 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3dkw h GLU 224 CO 0.00 0.18 -0.22 0.00 -1.00 0.00 0.00 179.01 177.97 3dkw s PHE 226 N -4.46 3.28 0.00 0.00 0.08 -1.19 -5.21 117.98 110.47 3dkw s PHE 226 Ca -0.13 -1.33 0.00 0.00 0.12 0.00 0.00 56.93 55.59 3dkw s PHE 226 Cb 0.02 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 3dkw s PHE 226 CO 0.46 -1.03 0.00 -0.85 -0.10 0.00 0.00 175.22 173.71