#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkf s LYS 3 N 0.00 0.62 4.81 -1.08 3.01 -1.24 -4.33 119.74 121.52 1vkf s LYS 3 Ca 0.00 1.15 0.00 0.00 -1.01 0.00 0.00 55.97 56.11 1vkf s LYS 3 Cb 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 37.83 36.99 1vkf s LYS 3 CO 0.00 -0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.11 1vkf n GLY 4 N 4.44 0.36 3.72 -3.33 0.00 -0.01 -4.76 105.19 105.60 1vkf n GLY 4 Ca -0.20 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1vkf n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vkf s ILE 5 N 0.00 5.32 -0.14 -0.61 -1.09 -1.26 0.14 121.20 123.57 1vkf s ILE 5 Ca 0.00 0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1vkf s ILE 5 Cb 0.00 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1vkf s ILE 5 CO 0.00 0.38 0.03 -0.63 -1.23 0.00 0.00 174.94 173.49 1vkf s ILE 6 N 0.57 4.54 -0.30 2.92 1.01 0.27 -4.77 121.20 125.44 1vkf s ILE 6 Ca 0.14 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1vkf s ILE 6 Cb -0.13 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1vkf s ILE 6 CO 0.03 0.54 0.86 0.00 0.00 0.00 0.00 174.94 176.37 1vkf s ALA 7 N -0.23 3.55 -0.14 9.38 0.00 -0.68 -1.17 121.76 132.46 1vkf s ALA 7 Ca 0.07 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 1vkf s ALA 7 Cb -0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1vkf s ALA 7 CO 0.02 -1.22 0.63 0.00 0.00 0.00 0.00 175.76 175.19 1vkf s ALA 8 N 3.09 3.47 -0.20 0.00 0.00 -0.72 -0.44 121.76 126.96 1vkf s ALA 8 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1vkf s ALA 8 Cb -0.14 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1vkf s ALA 8 CO 0.12 -0.32 -0.16 -1.17 0.00 0.00 0.00 175.76 174.23 1vkf s LEU 9 N 1.34 2.46 0.03 0.00 2.96 -0.20 -4.42 118.68 120.85 1vkf s LEU 9 Ca 0.31 -0.86 0.22 0.00 -0.22 0.00 0.00 54.13 53.58 1vkf s LEU 9 Cb -0.16 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.01 1vkf s LEU 9 CO 0.13 -0.07 0.93 0.79 -1.32 0.00 0.00 176.35 176.81 1vkf n TRP 10 N 4.59 0.16 0.00 5.38 7.02 -1.26 -0.75 117.44 132.58 1vkf n TRP 10 Ca -0.18 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 1vkf n TRP 10 Cb 0.48 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1vkf n TRP 10 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1vkf n ASP 11 N -1.90 0.00 0.00 -0.99 5.68 -1.26 -4.65 116.55 113.43 1vkf n ASP 11 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1vkf n ASP 11 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1vkf n ASP 11 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1vkf n ASP 13 N 0.00 0.00 -1.50 -1.12 8.00 -1.26 -4.90 116.55 115.77 1vkf n ASP 13 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1vkf n ASP 13 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 1vkf n ASP 13 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1vkf n SER 14 N 0.15 4.22 -0.31 -2.24 2.88 -1.26 -4.79 113.62 112.27 1vkf n SER 14 Ca 0.00 -2.69 -0.03 0.00 -1.33 0.00 0.00 58.87 54.83 1vkf n SER 14 Cb 0.00 -0.64 0.12 0.00 -0.75 0.00 0.00 64.21 62.94 1vkf n SER 14 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1vkf h ILE 15 N 2.59 1.25 -0.00 2.46 1.08 -2.01 -1.91 117.51 120.97 1vkf h ILE 15 Ca 0.04 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1vkf h ILE 15 Cb 1.60 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1vkf h ILE 15 CO 0.38 0.27 -0.06 0.61 -0.69 0.00 0.00 178.15 178.66 1vkf n GLY 16 N -1.20 -1.25 0.66 5.37 0.00 -1.26 -3.38 105.19 104.12 1vkf n GLY 16 Ca 0.09 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1vkf n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vkf n GLU 17 N -1.27 1.90 -2.80 1.61 1.02 -0.72 -4.89 120.64 115.50 1vkf n GLU 17 Ca 0.12 -1.32 -0.43 0.00 -0.02 0.00 0.00 57.16 55.52 1vkf n GLU 17 Cb 0.28 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 1vkf n GLU 17 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vkf s ILE 18 N -1.89 4.20 0.07 -3.67 -1.09 -1.22 -4.87 121.20 112.74 1vkf s ILE 18 Ca 0.35 -0.20 -0.14 0.00 -2.23 0.00 0.00 60.65 58.43 1vkf s ILE 18 Cb 0.20 -4.73 -0.25 0.00 -1.58 0.00 0.00 42.46 36.09 1vkf s ILE 18 CO 0.31 -1.54 1.16 -0.33 -1.23 0.00 0.00 174.94 173.31 1vkf h GLU 19 N 9.66 0.66 -6.64 2.79 3.07 -1.90 -3.46 114.58 118.76 1vkf h GLU 19 Ca -0.29 -0.78 -0.53 0.00 -0.50 0.00 0.00 59.36 57.27 1vkf h GLU 19 Cb 1.07 0.24 0.04 0.00 -0.84 0.00 0.00 28.75 29.26 1vkf h GLU 19 CO 1.20 1.34 0.83 -2.14 -1.40 0.00 0.00 179.01 178.85 1vkf s PRO 20 N -3.18 4.24 0.43 2.33 0.02 -1.26 -4.90 135.00 132.68 1vkf s PRO 20 Ca -0.09 2.32 0.23 0.00 0.02 0.00 0.00 61.00 63.47 1vkf s PRO 20 Cb 0.06 -3.15 0.90 0.00 0.02 0.00 0.00 34.50 32.34 1vkf s PRO 20 CO 0.93 -0.54 1.82 -0.44 -0.33 0.00 0.00 177.00 178.44 1vkf h ASP 21 N 6.32 0.00 -3.32 2.53 3.32 -1.89 -3.42 116.42 119.96 1vkf h ASP 21 Ca -0.43 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.98 1vkf h ASP 21 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 1vkf h ASP 21 CO 0.87 0.25 -0.66 -0.69 -1.72 0.00 0.00 179.24 177.29 1vkf s VAL 22 N -3.69 3.94 -0.05 -1.35 1.01 -1.26 -0.75 120.40 118.24 1vkf s VAL 22 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1vkf s VAL 22 Cb 0.11 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1vkf s VAL 22 CO 0.64 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 175.34 1vkf s VAL 23 N 0.23 1.76 -0.30 2.92 1.01 -0.07 -1.69 120.40 124.25 1vkf s VAL 23 Ca -0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1vkf s VAL 23 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1vkf s VAL 23 CO 0.03 0.50 0.11 -0.36 0.00 0.00 0.00 175.10 175.37 1vkf s PHE 24 N -0.14 3.16 -0.45 5.22 0.40 0.42 -1.47 117.98 125.13 1vkf s PHE 24 Ca -0.02 -0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 55.24 1vkf s PHE 24 Cb -0.12 -2.29 0.03 0.00 0.51 0.00 0.00 43.02 41.14 1vkf s PHE 24 CO 0.02 -0.54 0.74 -1.17 0.70 0.00 0.00 175.22 174.97 1vkf s LEU 25 N 1.54 4.36 0.00 -0.37 2.96 0.37 -1.03 118.68 126.50 1vkf s LEU 25 Ca 0.03 -0.24 0.24 0.00 -0.22 0.00 0.00 54.13 53.94 1vkf s LEU 25 Cb -0.17 -2.86 0.23 0.00 0.50 0.00 0.00 46.19 43.89 1vkf s LEU 25 CO 0.04 -0.89 1.23 0.18 -1.32 0.00 0.00 176.35 175.60 1vkf n LEU 26 N 6.58 1.63 -3.67 -0.68 4.77 0.07 -1.20 117.00 124.51 1vkf n LEU 26 Ca 0.01 -0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.30 1vkf n LEU 26 Cb 0.48 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1vkf n LEU 26 CO 0.57 0.31 0.23 -0.75 -1.33 0.00 0.00 177.39 176.42 1vkf s LYS 27 N -2.53 0.61 0.00 3.23 2.20 -1.25 -4.70 119.74 117.31 1vkf s LYS 27 Ca 0.20 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1vkf s LYS 27 Cb 0.18 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1vkf s LYS 27 CO 0.58 -0.12 0.00 0.45 -0.36 0.00 0.00 175.35 175.89 1vkf n SER 28 N 3.64 0.00 -3.92 1.43 2.88 -1.10 -4.77 113.62 111.77 1vkf n SER 28 Ca -0.18 -0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 56.67 1vkf n SER 28 Cb 0.57 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1vkf n SER 28 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1vkf s ASP 29 N 0.20 0.08 0.47 -3.46 1.47 -1.26 -1.21 116.67 112.97 1vkf s ASP 29 Ca 0.00 -0.79 0.25 0.00 1.18 0.00 0.00 52.55 53.19 1vkf s ASP 29 Cb 0.00 0.39 1.15 0.00 -0.34 0.00 0.00 42.92 44.12 1vkf s ASP 29 CO 0.00 -0.82 1.93 0.16 0.68 0.00 0.00 175.17 177.13 1vkf h ILE 30 N 2.64 0.59 0.07 2.11 3.07 -1.53 -0.98 117.51 123.48 1vkf h ILE 30 Ca -0.33 -0.88 -0.26 0.00 1.55 0.00 0.00 64.86 64.94 1vkf h ILE 30 Cb 1.22 1.58 0.01 0.00 -0.27 0.00 0.00 36.82 39.36 1vkf h ILE 30 CO 0.52 0.19 -1.11 -0.07 -1.05 0.00 0.00 178.15 176.62 1vkf h LEU 31 N 0.00 0.64 -0.80 0.16 3.38 -1.97 -3.36 115.31 113.36 1vkf h LEU 31 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1vkf h LEU 31 Cb 0.56 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1vkf h LEU 31 CO 0.02 1.39 -0.58 0.59 0.09 0.00 0.00 178.44 179.96 1vkf n ASN 32 N -3.72 1.82 -0.17 -0.43 3.02 -1.01 -4.59 115.26 110.18 1vkf n ASN 32 Ca -0.09 -1.41 -0.06 0.00 -0.03 0.00 0.00 54.58 52.99 1vkf n ASN 32 Cb 0.93 0.58 0.03 0.00 -0.61 0.00 0.00 39.78 40.71 1vkf n ASN 32 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1vkf h LEU 33 N 1.94 0.51 -1.07 3.41 5.85 -1.33 -0.18 115.31 124.43 1vkf h LEU 33 Ca 0.00 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1vkf h LEU 33 Cb 0.70 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1vkf h LEU 33 CO 0.00 0.36 -0.04 0.50 -0.34 0.00 0.00 178.44 178.93 1vkf h LYS 34 N 0.62 0.62 -0.19 1.25 3.64 -1.81 0.05 116.57 120.74 1vkf h LYS 34 Ca 0.20 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1vkf h LYS 34 Cb -0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1vkf h LYS 34 CO -0.08 0.66 -0.47 0.35 -2.27 0.00 0.00 179.45 177.64 1vkf h PHE 35 N 0.58 0.85 -0.90 1.91 3.57 -1.48 -1.04 116.94 120.43 1vkf h PHE 35 Ca 0.12 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1vkf h PHE 35 Cb 0.42 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1vkf h PHE 35 CO 0.02 1.10 0.59 0.45 -2.23 0.00 0.00 178.31 178.24 1vkf h HIS 36 N 0.35 1.13 -0.54 0.41 3.86 -0.61 -1.84 115.15 117.91 1vkf h HIS 36 Ca -0.00 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 1vkf h HIS 36 Cb 1.09 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1vkf h HIS 36 CO 0.09 0.72 0.05 -0.07 0.86 0.00 0.00 177.93 179.58 1vkf h LEU 37 N 1.22 0.85 -0.93 2.43 3.38 -0.95 -2.85 115.31 118.46 1vkf h LEU 37 Ca 0.33 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1vkf h LEU 37 Cb -0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1vkf h LEU 37 CO -0.07 0.88 -0.05 0.50 0.09 0.00 0.00 178.44 179.79 1vkf h LYS 38 N 0.83 0.73 -0.26 1.13 3.64 -0.75 0.57 116.57 122.47 1vkf h LYS 38 Ca 0.17 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1vkf h LYS 38 Cb 0.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1vkf h LYS 38 CO 0.01 0.78 -0.07 0.82 -2.27 0.00 0.00 179.45 178.72 1vkf h ILE 39 N 0.68 1.28 -0.12 2.00 2.04 -1.22 -1.49 117.51 120.68 1vkf h ILE 39 Ca 0.13 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1vkf h ILE 39 Cb 0.49 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1vkf h ILE 39 CO 0.03 0.34 0.02 -0.07 0.00 0.00 0.00 178.15 178.47 1vkf h LEU 40 N 0.25 0.19 -0.99 1.44 3.38 -1.33 -2.89 115.31 115.36 1vkf h LEU 40 Ca 0.07 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1vkf h LEU 40 Cb 0.54 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1vkf h LEU 40 CO 0.03 0.39 0.66 0.11 0.09 0.00 0.00 178.44 179.72 1vkf h LYS 41 N -0.02 1.29 -0.68 1.13 1.79 -0.83 -1.40 116.57 117.85 1vkf h LYS 41 Ca 0.04 -0.08 0.18 0.00 -2.18 0.00 0.00 60.65 58.61 1vkf h LYS 41 Cb 0.28 -0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1vkf h LYS 41 CO 0.00 0.86 0.48 -0.44 -1.08 0.00 0.00 179.45 179.26 1vkf h ASP 42 N 1.33 0.11 -0.60 0.86 5.19 -1.30 -1.66 116.42 120.34 1vkf h ASP 42 Ca 0.37 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1vkf h ASP 42 Cb -0.13 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1vkf h ASP 42 CO -0.09 0.05 0.00 0.54 -3.12 0.00 0.00 179.24 176.63 1vkf n ARG 43 N -4.38 3.54 -0.81 3.56 1.74 -0.58 -4.95 116.66 114.78 1vkf n ARG 43 Ca 0.13 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 1vkf n ARG 43 Cb 0.67 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1vkf n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vkf n GLY 44 N 1.09 0.54 3.83 -0.13 0.00 -0.62 -5.04 105.19 104.86 1vkf n GLY 44 Ca 0.24 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1vkf n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vkf s LYS 45 N -1.03 4.11 -0.15 1.61 -0.14 -0.88 -4.96 119.74 118.29 1vkf s LYS 45 Ca 0.00 0.75 -0.22 0.00 -1.36 0.00 0.00 55.97 55.15 1vkf s LYS 45 Cb 0.00 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 1vkf s LYS 45 CO 0.00 0.25 0.67 0.99 -0.76 0.00 0.00 175.35 176.50 1vkf s THR 46 N -1.80 5.02 -0.09 2.17 2.01 0.07 -4.36 115.64 118.65 1vkf s THR 46 Ca 0.50 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.83 1vkf s THR 46 Cb -0.13 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1vkf s THR 46 CO 0.19 0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.38 1vkf s VAL 47 N 1.56 1.75 -0.14 3.82 1.01 -1.26 -0.90 120.40 126.24 1vkf s VAL 47 Ca 0.32 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1vkf s VAL 47 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1vkf s VAL 47 CO 0.13 0.49 0.00 -0.36 0.00 0.00 0.00 175.10 175.36 1vkf s PHE 48 N 0.52 3.13 -0.16 5.22 0.40 -0.54 -0.68 117.98 125.87 1vkf s PHE 48 Ca -0.16 -0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1vkf s PHE 48 Cb -0.17 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1vkf s PHE 48 CO 0.06 0.17 0.06 0.08 0.70 0.00 0.00 175.22 176.29 1vkf s VAL 49 N -0.01 4.77 0.89 -0.44 1.01 -0.54 -0.48 120.40 125.60 1vkf s VAL 49 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1vkf s VAL 49 Cb -0.13 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.25 1vkf s VAL 49 CO 0.02 0.50 1.11 -0.62 0.00 0.00 0.00 175.10 176.11 1vkf s ASP 50 N 0.06 3.64 0.00 3.32 -1.08 -0.34 -0.70 116.67 121.57 1vkf s ASP 50 Ca 0.05 1.17 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 1vkf s ASP 50 Cb -0.12 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 1vkf s ASP 50 CO 0.01 -2.49 0.00 0.47 0.52 0.00 0.00 175.17 173.68 1vkf n ASP 52 N -3.75 0.00 -1.17 -0.34 8.00 -1.26 -3.51 116.55 114.52 1vkf n ASP 52 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.55 1vkf n ASP 52 Cb 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.81 1vkf n ASP 52 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1vkf n PHE 53 N 0.00 0.73 -3.26 1.24 7.35 -1.26 -4.94 117.46 117.31 1vkf n PHE 53 Ca 0.00 -1.58 -0.43 0.00 -0.76 0.00 0.00 57.45 54.68 1vkf n PHE 53 Cb 0.00 -0.26 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 1vkf n PHE 53 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1vkf s VAL 54 N -3.19 5.02 0.20 -2.13 1.01 -1.23 -2.72 120.40 117.36 1vkf s VAL 54 Ca 0.40 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.62 1vkf s VAL 54 Cb 0.38 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1vkf s VAL 54 CO -0.05 -0.57 1.63 0.59 0.00 0.00 0.00 175.10 176.69 1vkf n ASN 55 N 5.78 3.51 0.00 3.32 3.02 -0.35 -1.61 115.26 128.92 1vkf n ASN 55 Ca -0.07 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1vkf n ASN 55 Cb 0.46 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 1vkf n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vkf n GLY 56 N 3.43 1.02 3.85 7.41 0.00 -1.26 -1.42 105.19 118.22 1vkf n GLY 56 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1vkf n GLY 56 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vkf s LEU 57 N 0.00 4.22 0.00 0.99 2.96 -0.64 -4.86 118.68 121.35 1vkf s LEU 57 Ca 0.00 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1vkf s LEU 57 Cb 0.00 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1vkf s LEU 57 CO 0.00 0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 1vkf n GLY 58 N 1.43 2.83 3.47 7.98 0.00 -1.26 -4.88 105.19 114.76 1vkf n GLY 58 Ca -0.15 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 1vkf n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vkf s GLU 59 N 4.44 1.67 0.00 1.61 -1.05 -1.26 -4.86 118.70 119.25 1vkf s GLU 59 Ca 0.00 -1.89 0.00 0.00 -0.15 0.00 0.00 54.97 52.93 1vkf s GLU 59 Cb 0.00 -1.17 0.00 0.00 -0.44 0.00 0.00 34.13 32.52 1vkf s GLU 59 CO 0.00 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1vkf n GLY 60 N -0.69 -2.47 0.20 -3.83 0.00 -1.26 -4.49 105.19 92.65 1vkf n GLY 60 Ca -0.04 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 1vkf n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vkf h GLU 61 N 0.88 0.42 -0.65 1.61 4.81 -1.95 -1.83 114.58 117.87 1vkf h GLU 61 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1vkf h GLU 61 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1vkf h GLU 61 CO 0.00 0.28 0.17 0.93 -0.73 0.00 0.00 179.01 179.65 1vkf h GLU 62 N 0.43 1.02 -0.46 1.92 3.07 -1.99 -0.05 114.58 118.53 1vkf h GLU 62 Ca 0.23 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1vkf h GLU 62 Cb 0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1vkf h GLU 62 CO -0.19 0.90 0.17 0.00 -1.40 0.00 0.00 179.01 178.48 1vkf h ALA 63 N 1.21 0.59 -0.02 3.43 0.00 -1.68 0.26 119.26 123.05 1vkf h ALA 63 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vkf h ALA 63 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vkf h ALA 63 CO -0.00 0.21 0.01 0.82 0.00 0.00 0.00 179.25 180.29 1vkf h ILE 64 N 0.59 1.03 -0.30 0.00 2.04 -0.96 -2.12 117.51 117.80 1vkf h ILE 64 Ca 0.15 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1vkf h ILE 64 Cb 0.21 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1vkf h ILE 64 CO -0.01 0.03 -0.06 -0.07 0.00 0.00 0.00 178.15 178.04 1vkf h LEU 65 N -0.01 0.46 -0.42 1.44 3.38 -0.91 -1.58 115.31 117.67 1vkf h LEU 65 Ca 0.01 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1vkf h LEU 65 Cb 0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1vkf h LEU 65 CO -0.00 0.57 0.20 0.15 0.09 0.00 0.00 178.44 179.45 1vkf h PHE 66 N 0.46 0.37 -0.52 1.13 3.57 -0.65 0.32 116.94 121.62 1vkf h PHE 66 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1vkf h PHE 66 Cb 0.39 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1vkf h PHE 66 CO 0.01 0.18 0.14 0.28 -2.23 0.00 0.00 178.31 176.70 1vkf h VAL 67 N 0.40 1.24 -0.67 1.41 2.07 -1.06 -0.69 116.25 118.95 1vkf h VAL 67 Ca 0.18 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1vkf h VAL 67 Cb 0.10 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1vkf h VAL 67 CO -0.13 0.30 0.32 0.50 0.02 0.00 0.00 177.57 178.58 1vkf h LYS 68 N 0.71 0.96 0.00 1.57 1.63 -1.07 -2.68 116.57 117.69 1vkf h LYS 68 Ca 0.16 -0.14 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 1vkf h LYS 68 Cb 0.31 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1vkf h LYS 68 CO -0.00 0.76 -0.49 -0.22 -3.45 0.00 0.00 179.45 176.06 1vkf h LYS 69 N 0.93 0.00 0.00 1.90 3.64 -0.58 -1.77 116.57 120.68 1vkf h LYS 69 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1vkf h LYS 69 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1vkf h LYS 69 CO -0.03 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 1vkf n ALA 70 N -2.38 1.83 0.00 5.00 0.00 -0.30 -4.87 120.51 119.79 1vkf n ALA 70 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1vkf n ALA 70 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1vkf n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vkf n GLY 71 N 0.35 1.34 3.77 0.00 0.00 -0.67 -4.53 105.19 105.46 1vkf n GLY 71 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1vkf n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkf s ALA 72 N -1.99 2.74 -0.20 4.61 0.00 -1.03 -4.92 121.76 120.98 1vkf s ALA 72 Ca 0.00 0.86 0.18 0.00 0.00 0.00 0.00 51.96 53.00 1vkf s ALA 72 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1vkf s ALA 72 CO 0.00 -0.78 1.19 -0.44 0.00 0.00 0.00 175.76 175.74 1vkf h ASP 73 N 1.36 0.00 -2.06 0.00 3.32 -1.25 -3.43 116.42 114.36 1vkf h ASP 73 Ca -0.50 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.68 1vkf h ASP 73 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1vkf h ASP 73 CO 0.57 0.37 0.47 0.61 -1.72 0.00 0.00 179.24 179.55 1vkf n GLY 74 N 1.26 0.73 3.42 2.75 0.00 -1.19 -4.25 105.19 107.91 1vkf n GLY 74 Ca -0.02 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 1vkf n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vkf s ILE 75 N -2.17 2.23 -0.01 -0.61 -5.25 -0.72 -1.47 121.20 113.20 1vkf s ILE 75 Ca 0.18 -2.25 0.07 0.00 -0.99 0.00 0.00 60.65 57.67 1vkf s ILE 75 Cb -0.02 -2.16 -0.02 0.00 2.95 0.00 0.00 42.46 43.21 1vkf s ILE 75 CO 0.04 -0.38 -0.24 -0.63 -1.79 0.00 0.00 174.94 171.94 1vkf s ILE 76 N -2.41 1.86 0.03 8.37 1.01 0.12 -1.09 121.20 129.09 1vkf s ILE 76 Ca 0.25 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1vkf s ILE 76 Cb -0.05 -1.55 0.07 0.00 0.01 0.00 0.00 42.46 40.94 1vkf s ILE 76 CO 0.11 0.50 0.67 0.28 0.00 0.00 0.00 174.94 176.51 1vkf s THR 77 N -0.58 0.00 -1.81 2.92 -1.32 -0.90 -4.17 115.64 109.77 1vkf s THR 77 Ca 0.09 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.81 1vkf s THR 77 Cb -0.09 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.99 1vkf s THR 77 CO -0.01 0.00 1.28 0.00 -2.21 0.00 0.00 174.62 173.68 1vkf n ILE 78 N 0.37 0.00 -3.40 5.08 0.13 -1.26 -0.46 119.36 119.83 1vkf n ILE 78 Ca -0.17 -0.18 -0.43 0.00 -1.10 0.00 0.00 62.75 60.87 1vkf n ILE 78 Cb 0.60 0.86 -0.09 0.00 -0.84 0.00 0.00 39.64 40.16 1vkf n ILE 78 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1vkf s LYS 79 N -2.55 3.05 0.43 9.51 1.02 -1.26 -4.85 119.74 125.10 1vkf s LYS 79 Ca 0.20 -0.88 0.13 0.00 0.02 0.00 0.00 55.97 55.44 1vkf s LYS 79 Cb 0.18 -3.97 1.01 0.00 -0.52 0.00 0.00 37.83 34.54 1vkf s LYS 79 CO 0.58 -0.78 1.99 -1.35 -0.92 0.00 0.00 175.35 174.87 1vkf h PRO 80 N 8.67 0.41 -0.75 -1.68 0.11 -1.97 -1.53 132.00 135.26 1vkf h PRO 80 Ca -0.27 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 1vkf h PRO 80 Cb 1.12 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1vkf h PRO 80 CO 0.76 0.27 0.25 0.87 -0.21 0.00 0.00 178.00 179.94 1vkf h LYS 81 N 0.42 1.15 -0.62 1.05 6.56 -1.99 -0.55 116.57 122.59 1vkf h LYS 81 Ca 0.25 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1vkf h LYS 81 Cb 0.44 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1vkf h LYS 81 CO -0.07 0.97 0.33 -0.91 -2.06 0.00 0.00 179.45 177.71 1vkf h ASN 82 N 1.11 0.78 -0.35 0.86 2.35 -1.69 -1.66 115.58 116.97 1vkf h ASN 82 Ca 0.24 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1vkf h ASN 82 Cb 0.28 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1vkf h ASN 82 CO -0.01 0.65 0.21 0.22 -1.65 0.00 0.00 177.43 176.86 1vkf h TYR 83 N 0.84 0.40 -0.52 1.19 5.03 -0.99 -0.96 116.97 121.96 1vkf h TYR 83 Ca 0.22 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 1vkf h TYR 83 Cb 0.06 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1vkf h TYR 83 CO -0.01 0.24 0.11 0.28 -1.32 0.00 0.00 178.16 177.46 1vkf h VAL 84 N 0.43 1.25 -0.62 1.81 2.07 -0.96 -1.53 116.25 118.70 1vkf h VAL 84 Ca 0.13 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1vkf h VAL 84 Cb -0.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1vkf h VAL 84 CO -0.05 0.32 0.11 0.58 0.02 0.00 0.00 177.57 178.55 1vkf h VAL 85 N 0.72 1.26 -0.44 2.57 2.07 -1.11 -0.85 116.25 120.47 1vkf h VAL 85 Ca 0.16 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1vkf h VAL 85 Cb 0.36 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1vkf h VAL 85 CO 0.01 0.37 0.24 0.00 0.02 0.00 0.00 177.57 178.21 1vkf h ALA 86 N 1.03 0.55 -0.76 1.67 0.00 -0.89 -2.46 119.26 118.39 1vkf h ALA 86 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1vkf h ALA 86 Cb 0.42 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1vkf h ALA 86 CO 0.01 -0.09 0.42 -0.22 0.00 0.00 0.00 179.25 179.37 1vkf h LYS 87 N 0.49 1.06 0.00 0.00 3.64 -0.92 -0.40 116.57 120.43 1vkf h LYS 87 Ca 0.18 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1vkf h LYS 87 Cb 0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1vkf h LYS 87 CO -0.10 0.78 0.00 0.87 -2.27 0.00 0.00 179.45 178.73 1vkf h LYS 88 N 1.05 0.00 -0.03 1.90 1.57 -0.94 -0.75 116.57 119.38 1vkf h LYS 88 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1vkf h LYS 88 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1vkf h LYS 88 CO -0.04 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.93 1vkf n ASN 89 N -3.07 2.13 -0.97 0.86 3.02 -0.52 -4.95 115.26 111.76 1vkf n ASN 89 Ca -0.01 -1.71 -0.12 0.00 -0.03 0.00 0.00 54.58 52.72 1vkf n ASN 89 Cb 0.21 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 1vkf n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vkf n GLY 90 N 1.25 1.02 3.66 7.41 0.00 -0.29 -5.00 105.19 113.24 1vkf n GLY 90 Ca 0.17 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1vkf n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vkf s ILE 91 N -2.46 5.24 0.27 -0.61 1.01 -0.28 -5.00 121.20 119.38 1vkf s ILE 91 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1vkf s ILE 91 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 42.46 38.68 1vkf s ILE 91 CO 0.00 0.27 1.32 -2.65 0.00 0.00 0.00 174.94 173.88 1vkf n PRO 92 N 4.51 1.95 -3.85 2.79 -0.02 -1.26 -4.13 135.00 134.99 1vkf n PRO 92 Ca -0.10 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.95 1vkf n PRO 92 Cb 0.51 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1vkf n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vkf s ALA 93 N -0.45 -0.41 -0.10 3.55 0.00 -1.26 -1.76 121.76 121.34 1vkf s ALA 93 Ca 0.64 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1vkf s ALA 93 Cb -0.64 0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1vkf s ALA 93 CO 0.54 -0.23 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 1vkf s VAL 94 N -1.44 1.56 -0.24 0.00 1.01 -0.25 -4.54 120.40 116.50 1vkf s VAL 94 Ca -0.14 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1vkf s VAL 94 Cb -0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1vkf s VAL 94 CO 0.02 0.45 0.14 -0.22 0.00 0.00 0.00 175.10 175.49 1vkf s LEU 95 N 0.72 4.00 0.62 3.92 2.96 -0.73 -2.12 118.68 128.04 1vkf s LEU 95 Ca -0.12 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 1vkf s LEU 95 Cb -0.16 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1vkf s LEU 95 CO 0.03 0.05 1.08 -0.13 -1.32 0.00 0.00 176.35 176.05 1vkf s ARG 96 N 1.16 3.11 -0.18 1.98 0.52 0.39 -1.30 118.95 124.63 1vkf s ARG 96 Ca 0.07 1.28 -0.06 0.00 -0.52 0.00 0.00 55.73 56.50 1vkf s ARG 96 Cb -0.14 -2.00 0.08 0.00 0.52 0.00 0.00 34.95 33.42 1vkf s ARG 96 CO 0.05 -0.99 0.37 0.12 0.02 0.00 0.00 175.30 174.87 1vkf s PHE 97 N -2.41 -0.69 -0.49 -0.53 2.19 -0.41 -4.79 117.98 110.85 1vkf s PHE 97 Ca 0.65 1.35 -0.16 0.00 0.33 0.00 0.00 56.93 59.10 1vkf s PHE 97 Cb -0.18 0.20 0.09 0.00 -1.31 0.00 0.00 43.02 41.82 1vkf s PHE 97 CO 0.39 -0.45 0.44 -0.06 1.83 0.00 0.00 175.22 177.37 1vkf s PHE 98 N 2.56 3.23 -1.24 10.12 0.08 -1.26 -1.53 117.98 129.93 1vkf s PHE 98 Ca -0.01 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.00 1vkf s PHE 98 Cb -0.12 -3.36 0.18 0.00 -0.57 0.00 0.00 43.02 39.15 1vkf s PHE 98 CO -0.12 -0.87 2.11 0.00 -0.10 0.00 0.00 175.22 176.24 1vkf n ALA 99 N 5.29 6.25 0.13 5.36 0.00 -0.49 -4.71 120.51 132.33 1vkf n ALA 99 Ca -0.12 -4.29 -0.01 0.00 0.00 0.00 0.00 53.44 49.01 1vkf n ALA 99 Cb 0.43 -2.67 0.22 0.00 0.00 0.00 0.00 19.45 17.43 1vkf n ALA 99 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vkf h LEU 100 N 5.77 0.13 0.00 0.00 3.38 -1.94 -3.44 115.31 119.21 1vkf h LEU 100 Ca 0.57 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.52 1vkf h LEU 100 Cb 0.40 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1vkf h LEU 100 CO 1.44 0.60 0.24 -0.90 0.09 0.00 0.00 178.44 179.91 1vkf n ASP 101 N -3.96 -1.07 0.07 -0.43 5.68 -1.26 -5.09 116.55 110.49 1vkf n ASP 101 Ca -0.02 -1.66 -0.17 0.00 -0.50 0.00 0.00 54.79 52.45 1vkf n ASP 101 Cb 0.52 1.76 -0.08 0.00 -1.14 0.00 0.00 41.12 42.18 1vkf n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1vkf h SER 102 N 1.06 0.67 -0.13 -1.12 4.64 -1.99 -2.68 113.55 114.00 1vkf h SER 102 Ca -0.16 -0.56 -0.02 0.00 -0.47 0.00 0.00 61.79 60.58 1vkf h SER 102 Cb 0.65 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1vkf h SER 102 CO 0.21 1.37 0.01 0.11 -0.87 0.00 0.00 176.83 177.66 1vkf h LYS 103 N 0.26 0.22 -0.83 4.77 1.79 -1.99 0.82 116.57 121.62 1vkf h LYS 103 Ca -0.11 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1vkf h LYS 103 Cb 1.69 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 32.26 1vkf h LYS 103 CO 0.19 0.44 0.49 0.00 -1.08 0.00 0.00 179.45 179.49 1vkf h ALA 104 N 0.78 1.15 -0.51 3.86 0.00 -1.92 -0.10 119.26 122.52 1vkf h ALA 104 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1vkf h ALA 104 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vkf h ALA 104 CO 0.00 0.18 -0.05 0.28 0.00 0.00 0.00 179.25 179.66 1vkf h VAL 105 N 0.87 1.27 0.48 0.00 2.07 -1.18 -0.99 116.25 118.76 1vkf h VAL 105 Ca 0.38 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1vkf h VAL 105 Cb 0.25 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1vkf h VAL 105 CO -0.20 0.41 -0.23 -0.08 0.02 0.00 0.00 177.57 177.48 1vkf h GLU 106 N 0.80 -0.62 -0.69 1.57 4.81 0.38 0.17 114.58 120.99 1vkf h GLU 106 Ca 0.14 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1vkf h GLU 106 Cb 0.59 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1vkf h GLU 106 CO 0.04 -0.35 0.46 0.00 -0.73 0.00 0.00 179.01 178.42 1vkf h ARG 107 N -0.80 0.63 -0.50 1.92 3.08 -1.05 0.54 114.38 118.21 1vkf h ARG 107 Ca -0.07 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1vkf h ARG 107 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1vkf h ARG 107 CO 0.11 0.42 -0.19 0.78 -1.07 0.00 0.00 179.97 180.02 1vkf h GLY 108 N 0.65 1.09 1.05 0.04 0.00 -0.72 -1.14 103.07 104.03 1vkf h GLY 108 Ca 0.31 -0.95 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 1vkf h GLY 108 CO -0.10 0.86 -0.46 -2.22 0.00 0.00 0.00 176.54 174.62 1vkf h ILE 109 N 0.87 1.30 -0.69 2.60 2.04 0.69 -0.92 117.51 123.40 1vkf h ILE 109 Ca 0.12 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1vkf h ILE 109 Cb 0.77 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1vkf h ILE 109 CO 0.06 0.53 0.45 -0.08 0.00 0.00 0.00 178.15 179.11 1vkf h GLU 110 N 0.51 0.91 -0.36 2.37 4.81 -0.86 -0.55 114.58 121.40 1vkf h GLU 110 Ca 0.02 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vkf h GLU 110 Cb 1.06 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1vkf h GLU 110 CO 0.10 0.62 0.22 0.37 -0.73 0.00 0.00 179.01 179.59 1vkf h GLN 111 N 0.93 0.49 -0.66 1.92 4.15 -1.09 0.91 115.11 121.78 1vkf h GLN 111 Ca 0.25 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.69 1vkf h GLN 111 Cb -0.09 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.44 1vkf h GLN 111 CO -0.05 0.37 0.35 0.82 -1.93 0.00 0.00 178.83 178.39 1vkf h ILE 112 N 0.47 0.93 0.03 2.39 2.04 -0.74 -0.64 117.51 121.99 1vkf h ILE 112 Ca 0.13 -0.22 -0.22 0.00 1.00 0.00 0.00 64.86 65.55 1vkf h ILE 112 Cb 0.00 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1vkf h ILE 112 CO -0.02 0.12 -0.98 -0.33 0.00 0.00 0.00 178.15 176.93 1vkf h GLU 113 N 0.63 0.23 -0.24 2.37 5.08 -0.72 -0.74 114.58 121.20 1vkf h GLU 113 Ca 0.30 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1vkf h GLU 113 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1vkf h GLU 113 CO -0.21 1.05 -0.47 1.15 -1.00 0.00 0.00 179.01 179.52 1vkf h THR 114 N 0.11 1.30 -0.00 1.13 2.02 -0.64 -3.29 112.91 113.55 1vkf h THR 114 Ca -0.07 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1vkf h THR 114 Cb 1.65 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1vkf h THR 114 CO 0.15 0.53 -0.83 0.18 0.37 0.00 0.00 175.52 175.92 1vkf n LEU 115 N -4.00 0.95 -2.16 2.58 4.77 -0.26 -4.97 117.00 113.91 1vkf n LEU 115 Ca -0.03 -0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 1vkf n LEU 115 Cb 0.57 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1vkf n LEU 115 CO 0.47 0.23 0.12 0.61 -1.33 0.00 0.00 177.39 177.49 1vkf n GLY 116 N 1.49 0.14 3.66 -0.72 0.00 -0.52 -4.97 105.19 104.27 1vkf n GLY 116 Ca 0.05 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1vkf n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vkf s VAL 117 N -3.17 3.91 -0.10 1.61 1.01 -0.40 -4.91 120.40 118.34 1vkf s VAL 117 Ca 0.28 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.51 1vkf s VAL 117 Cb -0.12 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.32 1vkf s VAL 117 CO 0.39 -0.13 0.59 0.47 0.00 0.00 0.00 175.10 176.42 1vkf n ASP 118 N 7.06 0.64 -3.78 3.32 8.00 -1.26 -4.88 116.55 125.65 1vkf n ASP 118 Ca 0.16 0.29 -0.20 0.00 0.71 0.00 0.00 54.79 55.75 1vkf n ASP 118 Cb 0.44 0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 41.72 1vkf n ASP 118 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vkf s VAL 119 N -2.75 0.23 0.16 2.53 1.01 -1.26 -2.21 120.40 118.10 1vkf s VAL 119 Ca -0.05 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.18 1vkf s VAL 119 Cb 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1vkf s VAL 119 CO 0.83 0.20 -0.24 0.68 0.00 0.00 0.00 175.10 176.56 1vkf s VAL 120 N 1.55 2.19 -0.32 2.92 -7.23 -0.49 -1.77 120.40 117.25 1vkf s VAL 120 Ca -0.02 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1vkf s VAL 120 Cb -0.13 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1vkf s VAL 120 CO -0.03 -0.05 0.10 -0.70 -0.31 0.00 0.00 175.10 174.12 1vkf s GLU 121 N -2.36 2.88 0.00 4.82 2.12 -0.42 -1.05 118.70 124.70 1vkf s GLU 121 Ca 0.16 -1.01 -0.21 0.00 0.36 0.00 0.00 54.97 54.27 1vkf s GLU 121 Cb -0.09 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 1vkf s GLU 121 CO 0.07 -0.56 0.62 0.08 -0.54 0.00 0.00 175.26 174.93 1vkf s VAL 122 N 1.47 4.88 0.09 3.70 1.01 0.20 -1.29 120.40 130.46 1vkf s VAL 122 Ca 0.01 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1vkf s VAL 122 Cb -0.18 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1vkf s VAL 122 CO 0.03 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.65 1vkf s LEU 123 N -0.19 2.33 0.88 3.92 1.02 -0.59 -0.03 118.68 126.02 1vkf s LEU 123 Ca 0.32 -0.70 -0.11 0.00 0.02 0.00 0.00 54.13 53.66 1vkf s LEU 123 Cb -0.18 -0.52 0.12 0.00 0.02 0.00 0.00 46.19 45.63 1vkf s LEU 123 CO 0.18 -0.11 1.10 -2.16 0.02 0.00 0.00 176.35 175.37 1vkf s PRO 124 N -2.14 1.38 0.50 1.29 0.04 -1.26 -1.39 135.00 133.42 1vkf s PRO 124 Ca 0.02 1.06 0.35 0.00 0.04 0.00 0.00 61.00 62.47 1vkf s PRO 124 Cb -0.08 -1.80 1.49 0.00 0.04 0.00 0.00 34.50 34.14 1vkf s PRO 124 CO 0.02 -2.22 1.70 0.78 0.04 0.00 0.00 177.00 177.33 1vkf h GLY 125 N -1.55 0.54 1.96 0.56 0.00 0.14 -1.77 103.07 102.95 1vkf h GLY 125 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1vkf h GLY 125 CO 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.93 1vkf n ALA 126 N -2.69 1.81 0.01 3.60 0.00 -1.26 -2.70 120.51 119.27 1vkf n ALA 126 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1vkf n ALA 126 Cb 1.40 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1vkf n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vkf n VAL 127 N -1.48 0.32 0.26 0.00 0.24 -0.66 -4.72 118.33 112.30 1vkf n VAL 127 Ca 0.05 -0.66 0.11 0.00 -2.04 0.00 0.00 64.34 61.79 1vkf n VAL 127 Cb 0.20 0.84 0.72 0.00 -1.47 0.00 0.00 33.84 34.12 1vkf n VAL 127 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vkf h ALA 128 N 0.04 1.51 -0.17 2.33 0.00 -1.57 -1.21 119.26 120.19 1vkf h ALA 128 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vkf h ALA 128 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1vkf h ALA 128 CO 0.00 0.12 0.02 -1.35 0.00 0.00 0.00 179.25 178.04 1vkf h PRO 129 N 0.00 0.30 -0.50 0.00 0.11 -1.84 -2.96 132.00 127.10 1vkf h PRO 129 Ca -0.00 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1vkf h PRO 129 Cb 0.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1vkf h PRO 129 CO 0.01 0.48 0.18 0.87 -0.21 0.00 0.00 178.00 179.34 1vkf h LYS 130 N 0.07 0.72 0.00 1.05 1.57 -1.57 -2.35 116.57 116.06 1vkf h LYS 130 Ca 0.05 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 1vkf h LYS 130 Cb 0.34 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1vkf h LYS 130 CO 0.01 0.61 -1.38 0.28 -0.57 0.00 0.00 179.45 178.39 1vkf h VAL 131 N 0.71 1.18 -0.62 0.50 2.07 -1.42 -3.12 116.25 115.55 1vkf h VAL 131 Ca 0.17 -2.95 -0.04 0.00 0.82 0.00 0.00 66.70 64.70 1vkf h VAL 131 Cb 0.17 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1vkf h VAL 131 CO -0.01 0.67 0.24 0.00 0.02 0.00 0.00 177.57 178.49 1vkf h ALA 132 N 1.03 0.81 -0.73 1.67 0.00 -1.53 -3.04 119.26 117.47 1vkf h ALA 132 Ca -0.16 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.69 1vkf h ALA 132 Cb 1.88 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1vkf h ALA 132 CO 0.10 0.43 0.48 0.00 0.00 0.00 0.00 179.25 180.26 1vkf h ARG 133 N 0.87 0.49 -0.01 0.00 3.08 -1.35 -1.85 114.38 115.60 1vkf h ARG 133 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1vkf h ARG 133 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1vkf h ARG 133 CO -0.02 0.32 -0.32 1.63 -1.07 0.00 0.00 179.97 180.51 1vkf n LYS 134 N -4.49 0.74 -3.18 0.04 5.02 -1.16 -4.13 118.16 111.00 1vkf n LYS 134 Ca 0.13 -0.46 -0.23 0.00 -2.02 0.00 0.00 58.31 55.73 1vkf n LYS 134 Cb 0.44 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1vkf n LYS 134 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vkf n ILE 135 N -0.73 0.79 -2.06 -0.18 -5.35 -0.70 -5.11 119.36 106.02 1vkf n ILE 135 Ca 0.11 -4.74 -0.38 0.00 -0.27 0.00 0.00 62.75 57.47 1vkf n ILE 135 Cb 0.36 -1.31 0.01 0.00 -1.74 0.00 0.00 39.64 36.96 1vkf n ILE 135 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1vkf s PRO 136 N -2.29 3.56 0.00 6.28 0.04 -1.21 -2.51 135.00 138.86 1vkf s PRO 136 Ca 0.40 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1vkf s PRO 136 Cb 0.25 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1vkf s PRO 136 CO -0.09 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1vkf n GLY 137 N 0.57 1.07 3.39 0.56 0.00 -1.26 -5.04 105.19 104.48 1vkf n GLY 137 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1vkf n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vkf s ARG 138 N -0.50 2.36 -0.01 1.61 0.52 -1.05 -5.09 118.95 116.79 1vkf s ARG 138 Ca 0.00 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 1vkf s ARG 138 Cb 0.00 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1vkf s ARG 138 CO 0.00 0.57 1.29 0.99 0.02 0.00 0.00 175.30 178.17 1vkf s THR 139 N -0.61 3.96 -0.18 0.02 2.01 -0.94 -5.00 115.64 114.90 1vkf s THR 139 Ca 0.09 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1vkf s THR 139 Cb -0.11 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1vkf s THR 139 CO 0.00 0.01 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.08 1vkf s VAL 140 N 2.13 2.26 -0.22 3.82 1.01 -1.26 -1.40 120.40 126.74 1vkf s VAL 140 Ca 0.60 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1vkf s VAL 140 Cb -0.29 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1vkf s VAL 140 CO 0.25 0.52 0.16 -0.63 0.00 0.00 0.00 175.10 175.41 1vkf s ILE 141 N 1.29 5.37 0.16 2.22 1.01 -0.21 -1.53 121.20 129.50 1vkf s ILE 141 Ca 0.04 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1vkf s ILE 141 Cb -0.13 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1vkf s ILE 141 CO -0.11 0.37 0.67 0.00 0.00 0.00 0.00 174.94 175.88 1vkf s ALA 142 N 0.81 3.49 -0.06 9.38 0.00 0.05 0.58 121.76 136.01 1vkf s ALA 142 Ca 0.08 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 1vkf s ALA 142 Cb -0.13 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1vkf s ALA 142 CO 0.02 0.35 0.37 0.00 0.00 0.00 0.00 175.76 176.51 1vkf s ALA 143 N -1.30 -0.93 0.00 0.00 0.00 0.96 -1.34 121.76 119.15 1vkf s ALA 143 Ca 0.37 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1vkf s ALA 143 Cb -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1vkf s ALA 143 CO 0.22 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1vkf n GLY 144 N 1.80 1.47 2.43 0.00 0.00 -1.26 0.48 105.19 110.11 1vkf n GLY 144 Ca -0.18 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 1vkf n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vkf n LEU 145 N -0.01 -1.84 -4.54 0.99 4.77 -1.26 -1.32 117.00 113.80 1vkf n LEU 145 Ca 0.00 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 1vkf n LEU 145 Cb 0.00 -2.87 -0.07 0.00 -2.33 0.00 0.00 43.42 38.16 1vkf n LEU 145 CO 0.00 -0.39 0.37 -0.69 -1.33 0.00 0.00 177.39 175.35 1vkf s VAL 146 N -2.96 4.86 0.00 4.08 1.01 -1.26 -4.90 120.40 121.22 1vkf s VAL 146 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1vkf s VAL 146 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1vkf s VAL 146 CO 0.00 -0.49 0.60 -0.62 0.00 0.00 0.00 175.10 174.59 1vkf n GLU 147 N 6.16 -0.16 -4.01 2.72 1.02 -1.26 -4.96 120.64 120.14 1vkf n GLU 147 Ca -0.02 -0.71 -0.09 0.00 -0.02 0.00 0.00 57.16 56.32 1vkf n GLU 147 Cb 0.48 -1.00 -0.05 0.00 -0.02 0.00 0.00 31.44 30.85 1vkf n GLU 147 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1vkf s THR 148 N -0.21 0.00 0.10 2.62 -4.23 -1.26 -5.04 115.64 107.63 1vkf s THR 148 Ca 0.00 -1.45 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 1vkf s THR 148 Cb 0.00 -2.24 0.39 0.00 1.34 0.00 0.00 72.50 71.99 1vkf s THR 148 CO 0.00 0.00 1.98 -0.08 -0.54 0.00 0.00 174.62 175.98 1vkf h GLU 149 N 2.27 0.00 0.05 3.99 4.81 -1.99 -2.32 114.58 121.39 1vkf h GLU 149 Ca -0.27 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.69 1vkf h GLU 149 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1vkf h GLU 149 CO 0.37 0.01 -1.42 0.93 -0.73 0.00 0.00 179.01 178.16 1vkf h GLU 150 N 0.00 0.10 0.05 1.92 3.07 -2.00 -2.31 114.58 115.40 1vkf h GLU 150 Ca -0.00 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1vkf h GLU 150 Cb 0.52 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1vkf h GLU 150 CO 0.00 0.90 -0.02 0.93 -1.40 0.00 0.00 179.01 179.42 1vkf h GLU 151 N 0.03 -0.06 -0.13 2.33 5.08 -1.96 -3.12 114.58 116.75 1vkf h GLU 151 Ca -0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1vkf h GLU 151 Cb 1.94 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1vkf h GLU 151 CO 0.13 0.03 -0.25 0.00 -1.00 0.00 0.00 179.01 177.92 1vkf h ALA 152 N 0.81 1.35 -0.09 3.43 0.00 -1.42 -0.99 119.26 122.35 1vkf h ALA 152 Ca -0.01 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1vkf h ALA 152 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vkf h ALA 152 CO 0.01 0.45 -0.61 0.00 0.00 0.00 0.00 179.25 179.10 1vkf h ARG 153 N 0.21 0.32 0.10 0.00 3.08 -1.51 -1.75 114.38 114.82 1vkf h ARG 153 Ca 0.03 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1vkf h ARG 153 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1vkf h ARG 153 CO 0.04 0.83 -0.05 1.49 -1.07 0.00 0.00 179.97 181.21 1vkf h GLU 154 N 0.24 -0.13 0.00 0.04 4.57 -1.40 -3.32 114.58 114.59 1vkf h GLU 154 Ca -0.01 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1vkf h GLU 154 Cb 1.12 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1vkf h GLU 154 CO 0.10 0.17 -0.09 0.82 -1.18 0.00 0.00 179.01 178.83 1vkf h ILE 155 N -0.43 0.23 -0.05 2.32 2.04 -1.00 -2.49 117.51 118.13 1vkf h ILE 155 Ca -0.01 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1vkf h ILE 155 Cb 0.36 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1vkf h ILE 155 CO 0.02 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.44 1vkf n LEU 156 N -3.22 2.04 0.06 1.44 4.77 -0.68 -1.56 117.00 119.86 1vkf n LEU 156 Ca 0.01 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.18 1vkf n LEU 156 Cb 0.37 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1vkf n LEU 156 CO 0.30 0.35 0.31 0.11 -1.33 0.00 0.00 177.39 177.14 1vkf h LYS 157 N 3.14 0.34 0.00 3.23 1.79 -1.53 -3.38 116.57 120.16 1vkf h LYS 157 Ca 0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1vkf h LYS 157 Cb 0.67 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1vkf h LYS 157 CO 0.00 0.97 -0.85 0.72 -1.08 0.00 0.00 179.45 179.21 1vkf n HIS 158 N -3.79 0.00 -4.28 -1.35 8.25 -1.13 -5.03 115.22 107.89 1vkf n HIS 158 Ca -0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 1vkf n HIS 158 Cb 0.74 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.67 1vkf n HIS 158 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1vkf s VAL 159 N -2.38 0.99 -0.05 1.59 -7.23 -0.60 -4.79 120.40 107.93 1vkf s VAL 159 Ca 0.02 -2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 1vkf s VAL 159 Cb 0.09 -2.14 -0.25 0.00 0.56 0.00 0.00 36.38 34.65 1vkf s VAL 159 CO 0.53 -0.49 1.00 0.28 -0.31 0.00 0.00 175.10 176.10 1vkf h SER 160 N 2.62 0.28 -5.24 4.85 0.02 -1.58 -3.42 113.55 111.08 1vkf h SER 160 Ca -0.37 -0.82 -0.08 0.00 -0.84 0.00 0.00 61.79 59.67 1vkf h SER 160 Cb 1.21 -0.09 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 1vkf h SER 160 CO 0.64 1.06 -0.23 0.00 -1.14 0.00 0.00 176.83 177.16 1vkf s ALA 161 N -2.96 -0.17 -0.06 3.77 0.00 -1.24 -0.83 121.76 120.27 1vkf s ALA 161 Ca -0.15 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1vkf s ALA 161 Cb 0.01 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1vkf s ALA 161 CO 0.76 -0.71 -0.17 0.42 0.00 0.00 0.00 175.76 176.06 1vkf s ILE 162 N -3.97 1.44 -0.24 0.00 1.01 0.37 -0.77 121.20 119.04 1vkf s ILE 162 Ca 0.18 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1vkf s ILE 162 Cb 0.02 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1vkf s ILE 162 CO 0.02 0.42 0.37 -0.55 0.00 0.00 0.00 174.94 175.20 1vkf s SER 163 N 0.29 6.31 -0.00 3.58 0.15 -0.45 0.95 113.70 124.53 1vkf s SER 163 Ca -0.10 0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.81 1vkf s SER 163 Cb -0.14 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1vkf s SER 163 CO 0.04 -0.14 0.21 0.28 1.20 0.00 0.00 173.24 174.83 1vkf s THR 164 N 1.77 0.07 -1.78 6.45 -1.32 -0.31 -4.06 115.64 116.45 1vkf s THR 164 Ca 0.16 -0.60 0.16 0.00 -1.21 0.00 0.00 61.69 60.20 1vkf s THR 164 Cb -0.15 -0.51 0.24 0.00 -1.51 0.00 0.00 72.50 70.57 1vkf s THR 164 CO 0.09 -0.33 1.14 -1.54 -2.21 0.00 0.00 174.62 171.77 1vkf n SER 165 N 1.38 2.71 -4.56 8.08 3.41 -1.26 -1.76 113.62 121.62 1vkf n SER 165 Ca -0.22 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.19 1vkf n SER 165 Cb 0.56 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1vkf n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vkf s SER 166 N -1.22 5.95 0.66 4.04 0.15 -1.26 -4.87 113.70 117.14 1vkf s SER 166 Ca 0.24 -0.10 0.30 0.00 0.70 0.00 0.00 55.95 57.09 1vkf s SER 166 Cb 0.15 -2.55 1.61 0.00 -1.71 0.00 0.00 66.02 63.52 1vkf s SER 166 CO 0.21 -1.93 1.92 0.03 1.20 0.00 0.00 173.24 174.67 1vkf h ARG 167 N 11.41 0.00 -0.16 5.44 -0.00 -1.98 0.71 114.38 129.80 1vkf h ARG 167 Ca -0.27 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.12 1vkf h ARG 167 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1vkf h ARG 167 CO 1.24 0.00 -0.28 0.82 0.00 0.00 0.00 179.97 181.75 1vkf h ILE 168 N 0.00 1.26 0.00 2.04 5.03 -2.00 -3.06 117.51 120.78 1vkf h ILE 168 Ca 0.02 -1.23 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 1vkf h ILE 168 Cb 0.71 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 35.95 1vkf h ILE 168 CO -0.00 0.38 -0.77 -0.07 -0.68 0.00 0.00 178.15 177.01 1vkf h LEU 169 N 0.27 0.00 -1.50 1.44 3.38 0.04 -3.26 115.31 115.67 1vkf h LEU 169 Ca 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1vkf h LEU 169 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1vkf h LEU 169 CO 0.05 0.07 -0.25 -0.50 0.09 0.00 0.00 178.44 177.90 1vkf h TRP 170 N 0.00 0.00 0.00 1.13 4.06 -1.42 -3.46 115.95 116.26 1vkf h TRP 170 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1vkf h TRP 170 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1vkf h TRP 170 CO 0.00 0.25 0.00 1.63 -3.56 0.00 0.00 178.44 176.76