#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 0.51 4.25 -1.08 2.47 -1.26 -4.51 119.74 120.12 1vkf s LYS 3 Ca 0.00 0.78 0.00 0.00 -1.56 0.00 0.00 55.97 55.19 1vkf s LYS 3 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.51 1vkf s LYS 3 CO 0.00 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 175.81 1vkf n GLY 4 N 3.58 0.86 3.73 5.54 0.00 -0.69 -4.77 105.19 113.43 1vkf n GLY 4 Ca -0.18 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 5.14 -0.14 -0.61 -1.09 -1.26 -1.07 121.20 122.17 1vkf s ILE 5 Ca 0.00 1.05 -0.06 0.00 -2.23 0.00 0.00 60.65 59.41 1vkf s ILE 5 Cb 0.00 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1vkf s ILE 5 CO 0.00 0.33 0.06 -0.63 -1.23 0.00 0.00 174.94 173.47 1vkf s ILE 6 N 0.53 4.83 -0.30 2.92 1.01 0.38 -4.68 121.20 125.89 1vkf s ILE 6 Ca 0.28 -0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 1vkf s ILE 6 Cb -0.16 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1vkf s ILE 6 CO 0.12 0.54 0.81 0.00 0.00 0.00 0.00 174.94 176.41 1vkf s ALA 7 N -0.29 3.54 -0.12 9.38 0.00 -0.32 -1.58 121.76 132.37 1vkf s ALA 7 Ca 0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1vkf s ALA 7 Cb -0.12 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1vkf s ALA 7 CO 0.02 -1.21 0.44 0.00 0.00 0.00 0.00 175.76 175.01 1vkf s ALA 8 N 3.00 3.51 -0.13 0.00 0.00 0.03 -0.45 121.76 127.73 1vkf s ALA 8 Ca 0.34 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1vkf s ALA 8 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 1vkf s ALA 8 CO 0.12 0.04 -0.20 -0.51 0.00 0.00 0.00 175.76 175.22 1vkf s LEU 9 N 0.50 2.29 -0.06 0.00 1.43 -0.42 -3.93 118.68 118.48 1vkf s LEU 9 Ca 0.24 -0.51 0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1vkf s LEU 9 Cb -0.15 -1.49 -0.25 0.00 0.03 0.00 0.00 46.19 44.33 1vkf s LEU 9 CO 0.09 0.13 0.30 0.79 0.23 0.00 0.00 176.35 177.89 1vkf n TRP 10 N 3.75 0.00 -1.72 0.29 7.02 -1.26 -0.76 117.44 124.75 1vkf n TRP 10 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1vkf n TRP 10 Cb 0.52 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 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 -2.23 0.00 0.00 -0.99 5.75 -1.26 -4.54 116.55 113.28 1vkf n ASP 11 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1vkf n ASP 11 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1vkf n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1vkf n ASP 13 N 0.00 0.00 -4.26 -1.12 -0.08 -1.26 -4.80 116.55 105.03 1vkf n ASP 13 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 1vkf n ASP 13 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1vkf n ASP 13 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1vkf s SER 14 N 0.00 4.94 -0.02 1.67 0.01 -1.26 -4.95 113.70 114.09 1vkf s SER 14 Ca 0.00 -0.94 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 1vkf s SER 14 Cb 0.00 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 1vkf s SER 14 CO 0.00 -0.22 -0.06 -0.38 0.41 0.00 0.00 173.24 172.99 1vkf n ILE 15 N 4.77 0.53 -4.47 1.44 5.41 -1.26 -5.10 119.36 120.68 1vkf n ILE 15 Ca -0.14 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1vkf n ILE 15 Cb 0.46 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 1vkf n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vkf n GLY 16 N 2.82 -0.98 3.76 7.39 0.00 -1.26 -4.79 105.19 112.12 1vkf n GLY 16 Ca -0.08 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1vkf n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vkf s GLU 17 N 0.00 4.56 -0.35 1.61 2.56 -1.26 -5.02 118.70 120.81 1vkf s GLU 17 Ca 0.00 1.89 0.02 0.00 0.00 0.00 0.00 54.97 56.88 1vkf s GLU 17 Cb 0.00 -3.18 0.10 0.00 2.00 0.00 0.00 34.13 33.05 1vkf s GLU 17 CO 0.00 0.09 0.07 0.42 -0.56 0.00 0.00 175.26 175.28 1vkf s ILE 18 N -0.96 2.54 0.07 -3.70 1.01 -1.26 -5.01 121.20 113.88 1vkf s ILE 18 Ca 0.47 -2.17 -0.18 0.00 0.00 0.00 0.00 60.65 58.76 1vkf s ILE 18 Cb -0.33 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 1vkf s ILE 18 CO 0.42 -0.54 1.44 -0.33 0.00 0.00 0.00 174.94 175.93 1vkf h GLU 19 N 7.74 0.47 -6.82 2.79 3.07 -1.95 -3.46 114.58 116.42 1vkf h GLU 19 Ca -0.08 -0.20 -0.57 0.00 -0.50 0.00 0.00 59.36 58.01 1vkf h GLU 19 Cb 1.03 -0.02 0.14 0.00 -0.84 0.00 0.00 28.75 29.06 1vkf h GLU 19 CO 0.56 0.73 0.34 -2.30 -1.40 0.00 0.00 179.01 176.94 1vkf n PRO 20 N -4.53 1.48 0.14 2.33 -0.02 -1.26 -4.93 135.00 128.21 1vkf n PRO 20 Ca -0.04 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1vkf n PRO 20 Cb 0.33 -2.28 0.15 0.00 -0.02 0.00 0.00 33.50 31.68 1vkf n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vkf h ASP 21 N 1.41 0.00 -3.38 2.55 3.32 -1.89 -3.44 116.42 114.99 1vkf h ASP 21 Ca -0.48 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.91 1vkf h ASP 21 Cb 1.32 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.70 1vkf h ASP 21 CO 0.56 0.57 -0.64 -0.69 -1.72 0.00 0.00 179.24 177.32 1vkf s VAL 22 N -3.33 4.11 -0.06 -1.35 1.01 -1.26 -1.58 120.40 117.94 1vkf s VAL 22 Ca 0.01 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1vkf s VAL 22 Cb 0.11 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1vkf s VAL 22 CO 0.74 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 175.53 1vkf s VAL 23 N -0.44 1.61 -0.36 2.92 1.01 0.61 -1.17 120.40 124.59 1vkf s VAL 23 Ca 0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1vkf s VAL 23 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1vkf s VAL 23 CO 0.02 0.46 0.20 -0.36 0.00 0.00 0.00 175.10 175.43 1vkf s PHE 24 N 0.21 3.22 -0.45 5.22 0.40 0.40 -1.32 117.98 125.67 1vkf s PHE 24 Ca -0.10 -0.77 -0.23 0.00 -0.60 0.00 0.00 56.93 55.23 1vkf s PHE 24 Cb -0.14 -2.44 0.03 0.00 0.51 0.00 0.00 43.02 40.98 1vkf s PHE 24 CO 0.04 -0.57 0.79 -1.17 0.70 0.00 0.00 175.22 175.01 1vkf s LEU 25 N 1.59 4.25 0.00 -0.37 2.96 0.40 -1.31 118.68 126.21 1vkf s LEU 25 Ca 0.03 -0.10 0.23 0.00 -0.22 0.00 0.00 54.13 54.07 1vkf s LEU 25 Cb -0.18 -2.97 0.12 0.00 0.50 0.00 0.00 46.19 43.66 1vkf s LEU 25 CO 0.07 -0.91 1.15 0.18 -1.32 0.00 0.00 176.35 175.52 1vkf n LEU 26 N 6.71 1.31 -3.73 -0.68 4.77 0.06 -1.45 117.00 123.99 1vkf n LEU 26 Ca 0.02 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 1vkf n LEU 26 Cb 0.48 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1vkf n LEU 26 CO 0.59 0.27 0.10 -0.75 -1.33 0.00 0.00 177.39 176.26 1vkf s LYS 27 N -2.73 0.51 0.00 3.23 2.20 -1.25 -4.66 119.74 117.05 1vkf s LYS 27 Ca 0.15 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1vkf s LYS 27 Cb 0.18 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1vkf s LYS 27 CO 0.68 -0.07 0.00 0.45 -0.36 0.00 0.00 175.35 176.05 1vkf n SER 28 N 2.70 0.00 -3.72 1.43 2.88 -0.86 -4.79 113.62 111.25 1vkf n SER 28 Ca -0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.30 1vkf n SER 28 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 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 2.00 -0.10 0.57 -3.46 1.47 -1.26 -1.05 116.67 114.83 1vkf s ASP 29 Ca 0.00 -0.40 0.34 0.00 1.18 0.00 0.00 52.55 53.68 1vkf s ASP 29 Cb 0.00 0.41 1.60 0.00 -0.34 0.00 0.00 42.92 44.60 1vkf s ASP 29 CO 0.00 -0.77 2.08 0.16 0.68 0.00 0.00 175.17 177.32 1vkf h ILE 30 N 2.63 0.15 0.03 2.11 3.07 -1.45 -0.32 117.51 123.72 1vkf h ILE 30 Ca -0.34 -0.45 -0.22 0.00 1.55 0.00 0.00 64.86 65.41 1vkf h ILE 30 Cb 1.23 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 39.14 1vkf h ILE 30 CO 0.50 0.04 -1.04 -0.07 -1.05 0.00 0.00 178.15 176.53 1vkf h LEU 31 N 0.00 0.09 -1.32 0.16 3.38 -1.97 -3.37 115.31 112.27 1vkf h LEU 31 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1vkf h LEU 31 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1vkf h LEU 31 CO 0.01 1.07 0.00 0.59 0.09 0.00 0.00 178.44 180.19 1vkf n ASN 32 N -3.40 1.45 -0.30 -0.43 3.02 -0.85 -4.73 115.26 110.03 1vkf n ASN 32 Ca -0.02 -1.25 -0.05 0.00 -0.03 0.00 0.00 54.58 53.23 1vkf n ASN 32 Cb 0.95 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 40.18 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 0.87 0.99 -1.10 3.41 5.85 -1.25 -1.22 115.31 122.87 1vkf h LEU 33 Ca 0.00 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1vkf h LEU 33 Cb 0.22 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1vkf h LEU 33 CO 0.00 0.79 0.22 0.50 -0.34 0.00 0.00 178.44 179.61 1vkf h LYS 34 N 1.12 0.86 -0.26 1.25 3.64 -1.85 0.68 116.57 122.01 1vkf h LYS 34 Ca 0.29 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 1vkf h LYS 34 Cb -0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1vkf h LYS 34 CO -0.05 0.72 -0.57 0.74 -2.27 0.00 0.00 179.45 178.02 1vkf h PHE 35 N 0.85 1.08 -0.30 1.91 0.04 -1.66 -1.23 116.94 117.62 1vkf h PHE 35 Ca 0.20 -0.40 0.01 0.00 2.80 0.00 0.00 57.97 60.58 1vkf h PHE 35 Cb 0.18 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1vkf h PHE 35 CO 0.01 1.23 0.17 0.45 -0.60 0.00 0.00 178.31 179.57 1vkf h HIS 36 N 0.62 0.33 -0.69 -0.55 3.86 -0.79 -2.33 115.15 115.60 1vkf h HIS 36 Ca 0.00 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1vkf h HIS 36 Cb 1.18 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1vkf h HIS 36 CO 0.08 0.19 0.21 -0.07 0.86 0.00 0.00 177.93 179.20 1vkf h LEU 37 N 0.36 1.01 -0.61 2.43 3.38 -0.78 -2.63 115.31 118.47 1vkf h LEU 37 Ca 0.12 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1vkf h LEU 37 Cb -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 1vkf h LEU 37 CO -0.05 0.96 0.27 0.50 0.09 0.00 0.00 178.44 180.20 1vkf h LYS 38 N 1.02 0.47 -0.42 1.13 3.64 -1.07 0.35 116.57 121.68 1vkf h LYS 38 Ca 0.22 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1vkf h LYS 38 Cb 0.31 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1vkf h LYS 38 CO -0.01 0.31 0.20 0.82 -2.27 0.00 0.00 179.45 178.51 1vkf h ILE 39 N 0.48 0.95 0.08 2.00 2.04 -1.11 -0.30 117.51 121.66 1vkf h ILE 39 Ca 0.30 -0.14 -0.28 0.00 1.00 0.00 0.00 64.86 65.74 1vkf h ILE 39 Cb 0.32 0.51 0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1vkf h ILE 39 CO -0.26 0.07 -1.16 -0.07 0.00 0.00 0.00 178.15 176.73 1vkf h LEU 40 N 0.41 0.82 -0.90 1.44 3.38 -1.07 -2.89 115.31 116.50 1vkf h LEU 40 Ca 0.18 -0.73 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 1vkf h LEU 40 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1vkf h LEU 40 CO -0.14 1.53 -0.33 0.11 0.09 0.00 0.00 178.44 179.70 1vkf h LYS 41 N 0.29 0.41 -0.08 1.13 1.79 -0.25 -2.34 116.57 117.52 1vkf h LYS 41 Ca -0.16 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.11 1vkf h LYS 41 Cb 1.83 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.46 1vkf h LYS 41 CO 0.22 0.70 -0.06 -0.44 -1.08 0.00 0.00 179.45 178.78 1vkf h ASP 42 N 0.36 0.11 0.00 0.86 3.32 -0.97 -0.73 116.42 119.36 1vkf h ASP 42 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1vkf h ASP 42 Cb 0.76 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1vkf h ASP 42 CO 0.06 0.19 0.00 0.54 -1.72 0.00 0.00 179.24 178.31 1vkf n ARG 43 N -4.39 0.94 -0.95 3.56 1.74 -0.90 -4.90 116.66 111.76 1vkf n ARG 43 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1vkf n ARG 43 Cb 0.18 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.77 0.45 3.86 -0.13 0.00 -0.28 -5.03 105.19 104.81 1vkf n GLY 44 Ca 0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.35 3.94 -0.10 1.61 -0.14 -1.11 -5.00 119.74 117.59 1vkf s LYS 45 Ca 0.00 0.57 -0.23 0.00 -1.36 0.00 0.00 55.97 54.95 1vkf s LYS 45 Cb 0.00 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 1vkf s LYS 45 CO 0.00 0.16 0.69 0.99 -0.76 0.00 0.00 175.35 176.43 1vkf s THR 46 N -2.00 5.04 -0.14 2.17 2.01 -0.61 -4.54 115.64 117.56 1vkf s THR 46 Ca 0.53 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.92 1vkf s THR 46 Cb -0.10 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1vkf s THR 46 CO 0.20 0.22 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 1vkf s VAL 47 N 1.06 1.57 -0.13 3.82 1.01 -1.26 -0.28 120.40 126.19 1vkf s VAL 47 Ca 0.35 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1vkf s VAL 47 Cb -0.17 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1vkf s VAL 47 CO 0.16 0.46 0.08 -0.36 0.00 0.00 0.00 175.10 175.44 1vkf s PHE 48 N 1.44 3.38 -0.14 5.22 0.40 -0.44 -0.68 117.98 127.16 1vkf s PHE 48 Ca 0.04 0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1vkf s PHE 48 Cb -0.13 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1vkf s PHE 48 CO -0.10 0.50 -0.06 0.08 0.70 0.00 0.00 175.22 176.34 1vkf s VAL 49 N -0.58 3.69 0.83 -0.44 1.01 -0.47 -0.45 120.40 123.99 1vkf s VAL 49 Ca 0.11 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1vkf s VAL 49 Cb -0.12 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.76 1vkf s VAL 49 CO 0.02 0.51 1.15 -0.62 0.00 0.00 0.00 175.10 176.16 1vkf s ASP 50 N 0.29 4.28 0.00 3.32 -1.08 -0.53 -0.93 116.67 122.03 1vkf s ASP 50 Ca -0.05 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 52.88 1vkf s ASP 50 Cb -0.14 -1.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1vkf s ASP 50 CO 0.04 -2.06 0.00 0.47 0.52 0.00 0.00 175.17 174.14 1vkf n ASP 52 N -3.43 0.00 -2.11 -0.34 8.00 -1.26 -3.54 116.55 113.87 1vkf n ASP 52 Ca 0.07 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1vkf n ASP 52 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 2.42 -3.35 1.24 -0.00 -1.26 -4.92 117.46 111.59 1vkf n PHE 53 Ca 0.00 -2.18 -0.45 0.00 -0.00 0.00 0.00 57.45 54.82 1vkf n PHE 53 Cb 0.00 -0.32 -0.07 0.00 -0.00 0.00 0.00 39.48 39.10 1vkf n PHE 53 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1vkf s VAL 54 N -4.41 5.22 0.18 -2.13 1.01 -1.23 -2.03 120.40 117.01 1vkf s VAL 54 Ca 0.47 -1.23 -0.33 0.00 0.00 0.00 0.00 61.98 60.89 1vkf s VAL 54 Cb 0.39 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 1vkf s VAL 54 CO 0.02 -0.70 1.58 0.59 0.00 0.00 0.00 175.10 176.60 1vkf n ASN 55 N 5.24 3.21 0.00 3.32 3.02 -0.21 -1.60 115.26 128.23 1vkf n ASN 55 Ca -0.13 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1vkf n ASN 55 Cb 0.42 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 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 3.34 2.50 3.85 7.41 0.00 -1.26 -1.23 105.19 119.79 1vkf n GLY 56 Ca 0.16 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 4.31 0.00 0.99 2.96 -0.63 -4.89 118.68 121.42 1vkf s LEU 57 Ca 0.00 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1vkf s LEU 57 Cb 0.00 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1vkf s LEU 57 CO 0.00 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 1vkf n GLY 58 N 0.65 2.14 3.60 7.98 0.00 -1.26 -4.90 105.19 113.40 1vkf n GLY 58 Ca -0.04 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 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 3.35 2.05 0.02 1.61 -1.05 -1.26 -4.80 118.70 118.62 1vkf s GLU 59 Ca 0.00 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 1vkf s GLU 59 Cb 0.00 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1vkf s GLU 59 CO 0.00 0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.88 1vkf n GLY 60 N -0.85 -2.53 0.12 -3.83 0.00 -1.26 -4.52 105.19 92.32 1vkf n GLY 60 Ca -0.05 -2.06 -0.08 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 0.00 0.17 -0.88 1.61 4.81 -1.96 -1.20 114.58 117.13 1vkf h GLU 61 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1vkf h GLU 61 Cb 0.00 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1vkf h GLU 61 CO 0.00 0.11 0.49 0.93 -0.73 0.00 0.00 179.01 179.81 1vkf h GLU 62 N 0.17 1.22 -0.57 1.92 3.07 -1.99 -0.86 114.58 117.54 1vkf h GLU 62 Ca 0.12 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1vkf h GLU 62 Cb 0.11 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1vkf h GLU 62 CO -0.14 0.89 0.33 0.00 -1.40 0.00 0.00 179.01 178.69 1vkf h ALA 63 N 1.26 0.73 -0.47 3.43 0.00 -1.69 -0.54 119.26 121.99 1vkf h ALA 63 Ca 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1vkf h ALA 63 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vkf h ALA 63 CO -0.05 0.22 0.09 0.82 0.00 0.00 0.00 179.25 180.33 1vkf h ILE 64 N 0.77 1.25 -0.25 0.00 2.04 -0.95 -1.86 117.51 118.51 1vkf h ILE 64 Ca 0.20 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1vkf h ILE 64 Cb 0.00 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1vkf h ILE 64 CO -0.04 0.32 -0.04 -0.07 0.00 0.00 0.00 178.15 178.32 1vkf h LEU 65 N 0.65 0.36 -0.57 1.44 3.38 -1.00 -1.03 115.31 118.54 1vkf h LEU 65 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1vkf h LEU 65 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1vkf h LEU 65 CO 0.01 0.45 0.17 0.15 0.09 0.00 0.00 178.44 179.31 1vkf h PHE 66 N 0.37 0.91 -0.50 1.13 3.04 -0.66 -0.15 116.94 121.08 1vkf h PHE 66 Ca 0.08 -0.09 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 1vkf h PHE 66 Cb 0.31 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1vkf h PHE 66 CO 0.01 0.77 -0.14 0.28 -2.02 0.00 0.00 178.31 177.21 1vkf h VAL 67 N 0.79 1.27 -0.39 1.41 2.07 -0.88 -0.53 116.25 119.99 1vkf h VAL 67 Ca 0.18 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1vkf h VAL 67 Cb 0.29 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1vkf h VAL 67 CO -0.01 0.45 0.22 0.50 0.02 0.00 0.00 177.57 178.75 1vkf h LYS 68 N 0.85 0.54 -0.42 1.57 1.63 -0.99 -2.75 116.57 117.00 1vkf h LYS 68 Ca 0.13 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1vkf h LYS 68 Cb 0.69 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1vkf h LYS 68 CO 0.05 0.43 0.28 0.87 -3.45 0.00 0.00 179.45 177.63 1vkf h LYS 69 N 0.50 0.51 0.00 1.90 1.57 -0.73 -1.21 116.57 119.12 1vkf h LYS 69 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1vkf h LYS 69 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1vkf h LYS 69 CO -0.02 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1vkf h ALA 70 N 1.74 1.00 0.00 3.86 0.00 -0.82 -3.46 119.26 121.58 1vkf h ALA 70 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1vkf h ALA 70 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vkf h ALA 70 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1vkf n GLY 71 N 0.05 1.67 3.78 0.00 0.00 -0.46 -4.47 105.19 105.76 1vkf n GLY 71 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.00 -0.19 4.61 0.00 -1.07 -4.94 121.76 121.17 1vkf s ALA 72 Ca 0.00 0.77 0.16 0.00 0.00 0.00 0.00 51.96 52.90 1vkf s ALA 72 Cb 0.00 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.88 1vkf s ALA 72 CO 0.00 -0.40 1.39 -0.44 0.00 0.00 0.00 175.76 176.31 1vkf h ASP 73 N 2.16 0.00 -2.42 0.00 3.32 -1.25 -3.43 116.42 114.80 1vkf h ASP 73 Ca -0.49 0.00 0.22 0.00 0.02 0.00 0.00 57.03 56.78 1vkf h ASP 73 Cb 1.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 1vkf h ASP 73 CO 0.61 0.44 0.69 0.61 -1.72 0.00 0.00 179.24 179.87 1vkf n GLY 74 N 1.23 0.47 3.39 2.75 0.00 -1.14 -4.28 105.19 107.60 1vkf n GLY 74 Ca 0.01 -1.12 -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 -2.04 2.08 -0.01 -0.61 -5.25 -0.43 -1.37 121.20 113.57 1vkf s ILE 75 Ca 0.25 -2.10 0.07 0.00 -0.99 0.00 0.00 60.65 57.88 1vkf s ILE 75 Cb -0.02 -2.04 -0.02 0.00 2.95 0.00 0.00 42.46 43.33 1vkf s ILE 75 CO 0.04 -0.33 -0.23 -0.63 -1.79 0.00 0.00 174.94 171.99 1vkf s ILE 76 N -2.21 1.85 0.05 8.37 1.01 -0.10 -0.55 121.20 129.62 1vkf s ILE 76 Ca 0.21 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.58 1vkf s ILE 76 Cb -0.05 -1.53 0.08 0.00 0.01 0.00 0.00 42.46 40.96 1vkf s ILE 76 CO 0.09 0.51 0.68 0.28 0.00 0.00 0.00 174.94 176.50 1vkf s THR 77 N -0.56 0.00 -1.16 2.92 -1.32 -0.78 -4.23 115.64 110.51 1vkf s THR 77 Ca 0.09 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.80 1vkf s THR 77 Cb -0.09 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.83 1vkf s THR 77 CO -0.01 0.00 1.18 0.00 -2.21 0.00 0.00 174.62 173.59 1vkf n ILE 78 N 0.12 0.00 -3.15 5.08 0.13 -1.26 -0.96 119.36 119.32 1vkf n ILE 78 Ca -0.16 -0.03 -0.43 0.00 -1.10 0.00 0.00 62.75 61.02 1vkf n ILE 78 Cb 0.62 0.67 -0.07 0.00 -0.84 0.00 0.00 39.64 40.01 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 -2.91 3.24 0.39 9.51 -0.14 -1.26 -4.86 119.74 123.71 1vkf s LYS 79 Ca 0.12 -0.45 0.16 0.00 -1.36 0.00 0.00 55.97 54.44 1vkf s LYS 79 Cb 0.17 -3.95 1.03 0.00 -1.68 0.00 0.00 37.83 33.40 1vkf s LYS 79 CO 0.74 -0.98 1.81 -1.35 -0.76 0.00 0.00 175.35 174.81 1vkf h PRO 80 N 8.85 0.45 -0.73 -1.68 0.11 -1.97 -0.91 132.00 136.12 1vkf h PRO 80 Ca -0.26 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1vkf h PRO 80 Cb 1.10 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1vkf h PRO 80 CO 0.88 0.30 0.24 0.87 -0.21 0.00 0.00 178.00 180.08 1vkf h LYS 81 N 0.47 1.13 -0.62 1.05 6.56 -1.99 -0.29 116.57 122.87 1vkf h LYS 81 Ca 0.54 -0.23 -0.05 0.00 -1.06 0.00 0.00 60.65 59.84 1vkf h LYS 81 Cb 1.26 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.73 1vkf h LYS 81 CO -0.26 0.95 0.17 -0.91 -2.06 0.00 0.00 179.45 177.35 1vkf h ASN 82 N 1.09 0.92 -0.08 0.86 2.35 -1.58 -2.05 115.58 117.09 1vkf h ASN 82 Ca 0.24 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1vkf h ASN 82 Cb 0.28 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1vkf h ASN 82 CO -0.01 0.90 0.05 0.22 -1.65 0.00 0.00 177.43 176.94 1vkf h TYR 83 N 0.90 0.10 -0.73 1.19 3.20 -0.94 -0.17 116.97 120.52 1vkf h TYR 83 Ca 0.20 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1vkf h TYR 83 Cb 0.32 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1vkf h TYR 83 CO 0.02 0.08 0.29 0.28 -1.64 0.00 0.00 178.16 177.19 1vkf h VAL 84 N 0.09 1.25 -0.40 1.81 2.07 -0.97 -1.35 116.25 118.75 1vkf h VAL 84 Ca 0.03 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.59 1vkf h VAL 84 Cb 0.01 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1vkf h VAL 84 CO -0.01 0.32 -0.36 0.58 0.02 0.00 0.00 177.57 178.13 1vkf h VAL 85 N 1.06 1.27 0.08 2.57 2.07 -1.19 -0.60 116.25 121.51 1vkf h VAL 85 Ca 0.24 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1vkf h VAL 85 Cb 0.22 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1vkf h VAL 85 CO -0.02 0.51 -0.10 0.00 0.02 0.00 0.00 177.57 177.98 1vkf h ALA 86 N 0.78 -0.19 -0.50 1.67 0.00 -0.62 -2.39 119.26 118.03 1vkf h ALA 86 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1vkf h ALA 86 Cb 0.95 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1vkf h ALA 86 CO 0.09 -0.62 0.24 -0.22 0.00 0.00 0.00 179.25 178.73 1vkf h LYS 87 N -0.22 0.45 -0.39 0.00 3.64 -1.05 -1.32 116.57 117.68 1vkf h LYS 87 Ca 0.01 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1vkf h LYS 87 Cb 0.22 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1vkf h LYS 87 CO -0.05 0.30 0.27 0.87 -2.27 0.00 0.00 179.45 178.57 1vkf h LYS 88 N 0.46 0.10 -0.48 1.90 6.56 -0.95 -1.46 116.57 122.70 1vkf h LYS 88 Ca 0.22 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1vkf h LYS 88 Cb 0.15 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1vkf h LYS 88 CO -0.17 0.07 0.00 0.09 -2.06 0.00 0.00 179.45 177.38 1vkf n ASN 89 N -4.45 3.19 -0.54 0.86 3.02 -0.63 -4.95 115.26 111.76 1vkf n ASN 89 Ca 0.06 -1.96 -0.06 0.00 -0.03 0.00 0.00 54.58 52.59 1vkf n ASN 89 Cb 0.39 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.46 0.48 3.52 7.41 0.00 -0.55 -5.02 105.19 112.49 1vkf n GLY 90 Ca 0.20 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.25 4.92 0.24 -0.61 1.01 -0.59 -5.01 121.20 118.90 1vkf s ILE 91 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1vkf s ILE 91 Cb 0.00 -3.38 -0.15 0.00 0.01 0.00 0.00 42.46 38.94 1vkf s ILE 91 CO 0.00 0.22 1.06 -2.65 0.00 0.00 0.00 174.94 173.57 1vkf n PRO 92 N 5.01 1.23 -3.81 2.79 -0.02 -1.26 -3.89 135.00 135.06 1vkf n PRO 92 Ca -0.14 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1vkf n PRO 92 Cb 0.51 -1.85 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.67 -0.52 -0.11 3.55 0.00 -1.26 -1.31 121.76 121.43 1vkf s ALA 93 Ca 0.65 0.43 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1vkf s ALA 93 Cb -0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1vkf s ALA 93 CO 0.56 -0.14 -0.20 0.08 0.00 0.00 0.00 175.76 176.06 1vkf s VAL 94 N -0.35 2.44 -0.24 0.00 1.01 0.29 -4.67 120.40 118.88 1vkf s VAL 94 Ca -0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1vkf s VAL 94 Cb -0.03 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1vkf s VAL 94 CO 0.01 0.55 0.21 -0.22 0.00 0.00 0.00 175.10 175.65 1vkf s LEU 95 N 0.34 4.10 0.48 3.92 2.96 -1.04 -1.87 118.68 127.58 1vkf s LEU 95 Ca -0.16 0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.71 1vkf s LEU 95 Cb -0.17 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.25 1vkf s LEU 95 CO 0.08 0.01 1.06 -0.13 -1.32 0.00 0.00 176.35 176.05 1vkf s ARG 96 N 1.27 3.77 -0.16 1.98 0.52 -0.14 -1.37 118.95 124.82 1vkf s ARG 96 Ca 0.10 1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 56.69 1vkf s ARG 96 Cb -0.14 -2.14 0.07 0.00 0.52 0.00 0.00 34.95 33.26 1vkf s ARG 96 CO 0.06 -0.47 0.16 0.12 0.02 0.00 0.00 175.30 175.19 1vkf s PHE 97 N -1.90 -0.08 -0.55 -0.53 2.19 0.36 -4.75 117.98 112.71 1vkf s PHE 97 Ca 0.67 0.13 -0.20 0.00 0.33 0.00 0.00 56.93 57.87 1vkf s PHE 97 Cb -0.18 -0.45 0.07 0.00 -1.31 0.00 0.00 43.02 41.14 1vkf s PHE 97 CO 0.22 -0.48 0.72 -0.06 1.83 0.00 0.00 175.22 177.45 1vkf s PHE 98 N 2.25 2.97 -1.21 10.12 0.08 -1.26 -1.32 117.98 129.60 1vkf s PHE 98 Ca 0.04 -0.62 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1vkf s PHE 98 Cb -0.15 -3.82 0.19 0.00 -0.57 0.00 0.00 43.02 38.67 1vkf s PHE 98 CO -0.09 -1.21 1.52 0.00 -0.10 0.00 0.00 175.22 175.34 1vkf n ALA 99 N 6.51 4.34 -0.02 5.36 0.00 0.13 -4.75 120.51 132.08 1vkf n ALA 99 Ca -0.06 -4.33 -0.15 0.00 0.00 0.00 0.00 53.44 48.90 1vkf n ALA 99 Cb 0.45 -2.95 -0.14 0.00 0.00 0.00 0.00 19.45 16.81 1vkf n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vkf n LEU 100 N 4.72 1.72 -3.83 0.00 4.77 -1.26 -4.64 117.00 118.49 1vkf n LEU 100 Ca 0.36 0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1vkf n LEU 100 Cb 0.40 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1vkf n LEU 100 CO 0.66 0.63 0.60 1.51 -1.33 0.00 0.00 177.39 179.46 1vkf s ASP 101 N -6.51 -0.05 0.25 -1.43 1.47 -1.26 -5.03 116.67 104.12 1vkf s ASP 101 Ca -0.14 -0.89 -0.06 0.00 1.18 0.00 0.00 52.55 52.64 1vkf s ASP 101 Cb 0.07 0.73 0.28 0.00 -0.34 0.00 0.00 42.92 43.66 1vkf s ASP 101 CO 0.79 -1.42 1.93 0.77 0.68 0.00 0.00 175.17 177.92 1vkf h SER 102 N 2.00 1.13 -0.02 2.11 4.64 -1.99 -1.73 113.55 119.69 1vkf h SER 102 Ca -0.28 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 60.85 1vkf h SER 102 Cb 1.24 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1vkf h SER 102 CO 0.35 0.83 -0.47 0.11 -0.87 0.00 0.00 176.83 176.78 1vkf h LYS 103 N 1.33 0.57 -0.72 4.77 1.79 -1.99 -0.58 116.57 121.74 1vkf h LYS 103 Ca 0.36 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1vkf h LYS 103 Cb -0.14 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 1vkf h LYS 103 CO -0.08 0.92 0.20 0.00 -1.08 0.00 0.00 179.45 179.41 1vkf h ALA 104 N 1.03 0.97 -0.28 3.86 0.00 -1.82 -1.11 119.26 121.91 1vkf h ALA 104 Ca 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1vkf h ALA 104 Cb 1.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vkf h ALA 104 CO 0.09 0.67 -0.10 0.28 0.00 0.00 0.00 179.25 180.19 1vkf h VAL 105 N 1.09 1.29 -0.25 0.00 2.07 -1.13 -0.89 116.25 118.42 1vkf h VAL 105 Ca 0.23 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1vkf h VAL 105 Cb 0.35 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1vkf h VAL 105 CO -0.00 0.37 0.02 -0.33 0.02 0.00 0.00 177.57 177.64 1vkf h GLU 106 N 0.32 0.10 -0.64 1.57 5.08 -0.89 0.27 114.58 120.40 1vkf h GLU 106 Ca 0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1vkf h GLU 106 Cb 0.60 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1vkf h GLU 106 CO 0.03 0.07 0.19 0.00 -1.00 0.00 0.00 179.01 178.30 1vkf h ARG 107 N 0.10 0.99 -0.67 2.33 3.08 -1.15 -1.67 114.38 117.40 1vkf h ARG 107 Ca 0.12 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1vkf h ARG 107 Cb 0.14 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1vkf h ARG 107 CO -0.19 0.88 0.23 0.78 -1.07 0.00 0.00 179.97 180.60 1vkf h GLY 108 N 0.92 1.10 1.10 0.04 0.00 -0.82 -0.76 103.07 104.66 1vkf h GLY 108 Ca 0.20 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1vkf h GLY 108 CO -0.00 0.59 -0.12 -2.22 0.00 0.00 0.00 176.54 174.79 1vkf h ILE 109 N 0.96 1.27 -0.25 2.60 2.04 -0.74 0.75 117.51 124.15 1vkf h ILE 109 Ca 0.22 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1vkf h ILE 109 Cb 0.27 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1vkf h ILE 109 CO -0.01 0.45 0.13 -0.08 0.00 0.00 0.00 178.15 178.64 1vkf h GLU 110 N 0.91 0.26 -0.56 2.37 4.57 -1.07 -0.98 114.58 120.08 1vkf h GLU 110 Ca 0.14 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1vkf h GLU 110 Cb 0.69 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1vkf h GLU 110 CO 0.05 0.17 0.35 0.37 -1.18 0.00 0.00 179.01 178.77 1vkf h GLN 111 N 0.27 0.67 -0.71 1.92 4.15 -0.86 -1.02 115.11 119.53 1vkf h GLN 111 Ca 0.10 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.52 1vkf h GLN 111 Cb 0.02 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.51 1vkf h GLN 111 CO -0.06 0.44 0.42 0.82 -1.93 0.00 0.00 178.83 178.52 1vkf h ILE 112 N 0.69 1.04 -0.21 2.39 2.04 -0.45 -1.69 117.51 121.32 1vkf h ILE 112 Ca 0.22 -0.28 -0.20 0.00 1.00 0.00 0.00 64.86 65.60 1vkf h ILE 112 Cb 0.00 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1vkf h ILE 112 CO -0.09 0.15 -0.66 -0.33 0.00 0.00 0.00 178.15 177.22 1vkf h GLU 113 N 0.81 0.82 -0.40 2.37 5.08 -0.96 -1.37 114.58 120.94 1vkf h GLU 113 Ca 0.30 -0.60 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 1vkf h GLU 113 Cb 0.10 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1vkf h GLU 113 CO -0.14 1.22 -0.36 1.15 -1.00 0.00 0.00 179.01 179.88 1vkf h THR 114 N 0.58 1.27 -0.00 1.13 2.02 -1.01 -3.12 112.91 113.78 1vkf h THR 114 Ca -0.02 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1vkf h THR 114 Cb 1.28 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1vkf h THR 114 CO 0.14 0.51 -0.37 0.18 0.37 0.00 0.00 175.52 176.35 1vkf n LEU 115 N -4.06 0.62 -2.30 2.58 4.77 -0.65 -4.98 117.00 112.98 1vkf n LEU 115 Ca -0.02 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1vkf n LEU 115 Cb 0.53 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1vkf n LEU 115 CO 0.48 0.14 0.05 0.61 -1.33 0.00 0.00 177.39 177.34 1vkf n GLY 116 N 1.44 -0.00 3.62 -0.72 0.00 -0.69 -4.98 105.19 103.85 1vkf n GLY 116 Ca 0.08 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.19 4.74 0.01 1.61 1.01 -0.60 -4.92 120.40 119.06 1vkf s VAL 117 Ca 0.03 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1vkf s VAL 117 Cb -0.00 -4.20 -0.28 0.00 0.00 0.00 0.00 36.38 31.90 1vkf s VAL 117 CO 0.39 -0.26 0.88 0.44 0.00 0.00 0.00 175.10 176.55 1vkf h ASP 118 N 8.02 0.38 -3.23 3.32 3.32 -1.91 -3.46 116.42 122.86 1vkf h ASP 118 Ca -0.23 -0.51 -0.56 0.00 0.02 0.00 0.00 57.03 55.75 1vkf h ASP 118 Cb 1.09 -0.12 -0.37 0.00 0.22 0.00 0.00 39.33 40.14 1vkf h ASP 118 CO 0.91 1.43 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.36 1vkf s VAL 119 N -2.62 1.22 -0.03 -1.35 1.01 -1.26 -1.16 120.40 116.20 1vkf s VAL 119 Ca -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1vkf s VAL 119 Cb 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1vkf s VAL 119 CO 0.85 0.30 -0.19 -0.69 0.00 0.00 0.00 175.10 175.38 1vkf s VAL 120 N 1.62 1.56 -0.31 2.92 1.01 -0.37 -2.51 120.40 124.31 1vkf s VAL 120 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1vkf s VAL 120 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1vkf s VAL 120 CO -0.09 0.44 0.18 -0.70 0.00 0.00 0.00 175.10 174.94 1vkf s GLU 121 N -0.19 3.47 -0.20 2.72 2.12 -0.47 -0.82 118.70 125.34 1vkf s GLU 121 Ca 0.01 -0.64 -0.08 0.00 0.36 0.00 0.00 54.97 54.62 1vkf s GLU 121 Cb -0.10 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 1vkf s GLU 121 CO 0.01 -0.39 0.09 0.08 -0.54 0.00 0.00 175.26 174.51 1vkf s VAL 122 N 1.67 4.94 0.05 3.70 1.01 0.60 -0.49 120.40 131.88 1vkf s VAL 122 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1vkf s VAL 122 Cb -0.17 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1vkf s VAL 122 CO 0.08 0.43 -0.21 -0.76 0.00 0.00 0.00 175.10 174.64 1vkf s LEU 123 N 0.55 2.18 0.93 3.92 1.02 -0.44 -1.39 118.68 125.45 1vkf s LEU 123 Ca 0.05 -0.55 -0.14 0.00 0.02 0.00 0.00 54.13 53.52 1vkf s LEU 123 Cb -0.12 -0.99 0.15 0.00 0.02 0.00 0.00 46.19 45.25 1vkf s LEU 123 CO 0.01 0.16 1.17 -2.16 0.02 0.00 0.00 176.35 175.55 1vkf s PRO 124 N -1.26 0.96 0.41 1.29 0.04 -1.26 -0.69 135.00 134.49 1vkf s PRO 124 Ca 0.08 0.10 0.12 0.00 0.04 0.00 0.00 61.00 61.34 1vkf s PRO 124 Cb -0.09 -1.84 0.88 0.00 0.04 0.00 0.00 34.50 33.50 1vkf s PRO 124 CO 0.02 -2.28 1.94 0.78 0.04 0.00 0.00 177.00 177.50 1vkf h GLY 125 N -1.55 0.08 1.54 0.56 0.00 -0.29 -2.95 103.07 100.45 1vkf h GLY 125 Ca -0.48 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 46.82 1vkf h GLY 125 CO 0.56 0.05 0.25 0.00 0.00 0.00 0.00 176.54 177.40 1vkf h ALA 126 N 1.73 1.84 -0.10 3.60 0.00 -1.90 -1.26 119.26 123.17 1vkf h ALA 126 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vkf h ALA 126 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vkf h ALA 126 CO 0.03 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.73 1vkf n VAL 127 N -4.48 0.09 -0.26 0.00 0.24 -1.12 -4.51 118.33 108.29 1vkf n VAL 127 Ca 0.04 -0.51 -0.02 0.00 -2.04 0.00 0.00 64.34 61.80 1vkf n VAL 127 Cb 0.14 1.25 0.09 0.00 -1.47 0.00 0.00 33.84 33.85 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 4.61 0.98 -0.87 2.33 0.00 -1.25 -2.55 119.26 122.51 1vkf h ALA 128 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1vkf h ALA 128 Cb 0.92 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1vkf h ALA 128 CO 0.00 0.24 0.55 -1.35 0.00 0.00 0.00 179.25 178.69 1vkf h PRO 129 N 0.89 1.00 -0.42 0.00 0.11 -1.79 0.15 132.00 131.93 1vkf h PRO 129 Ca 0.30 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.36 1vkf h PRO 129 Cb 0.05 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 1vkf h PRO 129 CO -0.12 0.66 0.28 0.87 -0.21 0.00 0.00 178.00 179.47 1vkf h LYS 130 N 1.03 0.55 -0.41 1.05 1.57 -1.79 -1.62 116.57 116.95 1vkf h LYS 130 Ca 0.37 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1vkf h LYS 130 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1vkf h LYS 130 CO -0.15 0.36 -0.17 0.28 -0.57 0.00 0.00 179.45 179.20 1vkf h VAL 131 N 0.56 1.28 -0.90 0.50 2.07 -1.04 -3.20 116.25 115.52 1vkf h VAL 131 Ca 0.16 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1vkf h VAL 131 Cb -0.06 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1vkf h VAL 131 CO -0.04 0.44 0.59 0.00 0.02 0.00 0.00 177.57 178.58 1vkf h ALA 132 N 0.82 1.38 0.00 1.67 0.00 -0.28 -0.56 119.26 122.30 1vkf h ALA 132 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vkf h ALA 132 Cb 0.73 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vkf h ALA 132 CO 0.05 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1vkf h ARG 133 N 1.19 0.00 0.00 0.00 3.08 -1.30 -2.15 114.38 115.20 1vkf h ARG 133 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1vkf h ARG 133 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1vkf h ARG 133 CO -0.08 0.02 -0.49 1.63 -1.07 0.00 0.00 179.97 179.98 1vkf n LYS 134 N -3.74 0.18 -2.89 0.04 4.76 -0.23 -4.31 118.16 111.97 1vkf n LYS 134 Ca -0.03 0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.25 1vkf n LYS 134 Cb 0.11 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 1vkf n LYS 134 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1vkf n ILE 135 N -1.90 1.78 -1.74 -0.18 -5.35 -0.81 -5.10 119.36 106.06 1vkf n ILE 135 Ca 0.04 -4.87 -0.39 0.00 -0.27 0.00 0.00 62.75 57.27 1vkf n ILE 135 Cb 0.40 -0.80 0.03 0.00 -1.74 0.00 0.00 39.64 37.54 1vkf n ILE 135 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1vkf n PRO 136 N -0.12 1.87 0.00 6.28 -0.04 -1.22 -1.78 135.00 139.99 1vkf n PRO 136 Ca 0.28 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1vkf n PRO 136 Cb 0.57 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1vkf n PRO 136 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vkf n GLY 137 N 0.72 2.44 3.79 0.55 0.00 -1.26 -5.04 105.19 106.39 1vkf n GLY 137 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.43 2.97 -0.17 1.61 0.52 -0.73 -5.07 118.95 117.65 1vkf s ARG 138 Ca 0.00 -0.64 -0.28 0.00 -0.52 0.00 0.00 55.73 54.30 1vkf s ARG 138 Cb 0.00 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1vkf s ARG 138 CO 0.00 0.58 0.94 0.99 0.02 0.00 0.00 175.30 177.83 1vkf s THR 139 N -1.38 4.80 -0.16 0.02 2.01 -0.31 -5.01 115.64 115.61 1vkf s THR 139 Ca 0.29 1.87 -0.03 0.00 0.31 0.00 0.00 61.69 64.13 1vkf s THR 139 Cb -0.12 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1vkf s THR 139 CO 0.22 -0.04 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.36 1vkf s VAL 140 N 2.40 3.68 -0.20 3.82 1.01 -1.26 -1.24 120.40 128.61 1vkf s VAL 140 Ca 0.43 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1vkf s VAL 140 Cb -0.17 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1vkf s VAL 140 CO 0.12 0.49 0.02 -0.63 0.00 0.00 0.00 175.10 175.11 1vkf s ILE 141 N 0.45 4.24 0.15 2.22 1.01 0.00 -1.78 121.20 127.48 1vkf s ILE 141 Ca -0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1vkf s ILE 141 Cb -0.15 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 1vkf s ILE 141 CO 0.03 0.43 0.67 0.00 0.00 0.00 0.00 174.94 176.08 1vkf s ALA 142 N 0.85 3.50 -0.03 9.38 0.00 0.25 -0.29 121.76 135.41 1vkf s ALA 142 Ca 0.02 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1vkf s ALA 142 Cb -0.14 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1vkf s ALA 142 CO 0.02 0.35 0.35 0.00 0.00 0.00 0.00 175.76 176.49 1vkf s ALA 143 N -1.26 -0.90 0.00 0.00 0.00 -0.49 -1.10 121.76 118.00 1vkf s ALA 143 Ca 0.36 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1vkf s ALA 143 Cb -0.19 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1vkf s ALA 143 CO 0.22 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1vkf n GLY 144 N 1.39 1.70 2.49 0.00 0.00 -1.26 -1.85 105.19 107.66 1vkf n GLY 144 Ca -0.21 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 -1.74 -4.55 0.99 4.77 -1.26 -0.98 117.00 114.24 1vkf n LEU 145 Ca 0.00 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 1vkf n LEU 145 Cb 0.00 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.18 1vkf n LEU 145 CO 0.00 -0.63 1.10 -0.69 -1.33 0.00 0.00 177.39 175.84 1vkf s VAL 146 N -2.91 3.87 -1.18 4.08 1.01 -1.26 -4.87 120.40 119.14 1vkf s VAL 146 Ca 0.00 0.45 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1vkf s VAL 146 Cb 0.00 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 1vkf s VAL 146 CO 0.00 -1.68 0.75 -0.62 0.00 0.00 0.00 175.10 173.55 1vkf n GLU 147 N 8.95 1.93 -3.99 2.72 1.02 -1.26 -4.98 120.64 125.02 1vkf n GLU 147 Ca 0.04 -0.58 -0.09 0.00 -0.02 0.00 0.00 57.16 56.51 1vkf n GLU 147 Cb 0.49 -1.21 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 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 -1.90 0.12 0.28 2.62 -4.23 -1.26 -5.03 115.64 106.24 1vkf s THR 148 Ca 0.10 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1vkf s THR 148 Cb 0.11 -1.67 0.25 0.00 1.34 0.00 0.00 72.50 72.53 1vkf s THR 148 CO 0.42 -0.56 1.94 -0.08 -0.54 0.00 0.00 174.62 175.80 1vkf h GLU 149 N 2.78 1.15 -0.57 3.99 4.81 -1.99 -2.31 114.58 122.44 1vkf h GLU 149 Ca -0.33 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1vkf h GLU 149 Cb 1.20 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1vkf h GLU 149 CO 0.56 0.78 0.27 0.93 -0.73 0.00 0.00 179.01 180.82 1vkf h GLU 150 N 1.18 0.83 -0.56 1.92 3.07 -1.99 0.20 114.58 119.23 1vkf h GLU 150 Ca 0.31 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1vkf h GLU 150 Cb -0.10 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.64 1vkf h GLU 150 CO -0.06 0.68 0.30 0.93 -1.40 0.00 0.00 179.01 179.46 1vkf h GLU 151 N 0.78 0.79 -0.33 2.33 5.08 -1.92 -2.47 114.58 118.84 1vkf h GLU 151 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1vkf h GLU 151 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1vkf h GLU 151 CO -0.02 0.62 0.13 0.00 -1.00 0.00 0.00 179.01 178.73 1vkf h ALA 152 N 1.13 0.43 -0.83 3.43 0.00 -1.05 -0.81 119.26 121.57 1vkf h ALA 152 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vkf h ALA 152 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1vkf h ALA 152 CO -0.03 0.04 0.55 0.00 0.00 0.00 0.00 179.25 179.81 1vkf h ARG 153 N 0.39 1.09 -0.19 0.00 3.08 -0.90 -1.57 114.38 116.29 1vkf h ARG 153 Ca 0.11 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1vkf h ARG 153 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1vkf h ARG 153 CO -0.01 0.72 -0.17 1.49 -1.07 0.00 0.00 179.97 180.93 1vkf h GLU 154 N 1.12 0.45 -0.98 0.04 4.57 -1.24 -3.05 114.58 115.51 1vkf h GLU 154 Ca 0.31 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1vkf h GLU 154 Cb -0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 1vkf h GLU 154 CO -0.07 0.79 0.65 0.82 -1.18 0.00 0.00 179.01 180.02 1vkf h ILE 155 N 0.11 1.24 0.00 2.32 2.04 -0.89 -2.22 117.51 120.12 1vkf h ILE 155 Ca 0.03 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1vkf h ILE 155 Cb 0.70 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1vkf h ILE 155 CO 0.04 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1vkf n LEU 156 N -4.41 0.00 0.26 1.44 4.77 -0.61 -1.39 117.00 117.05 1vkf n LEU 156 Ca 0.12 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.75 1vkf n LEU 156 Cb 0.02 -0.50 0.50 0.00 -2.33 0.00 0.00 43.42 41.11 1vkf n LEU 156 CO 0.37 -0.32 0.92 0.11 -1.33 0.00 0.00 177.39 177.14 1vkf h LYS 157 N 0.00 0.00 0.00 3.23 1.57 -1.32 -3.37 116.57 116.68 1vkf h LYS 157 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vkf h LYS 157 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1vkf h LYS 157 CO 0.00 0.01 -0.79 0.72 -0.57 0.00 0.00 179.45 178.82 1vkf n HIS 158 N -3.10 0.00 -4.31 -1.35 8.25 -0.49 -5.06 115.22 109.16 1vkf n HIS 158 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 1vkf n HIS 158 Cb 0.39 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.78 1.17 0.08 1.59 -7.23 -0.92 -4.84 120.40 108.48 1vkf s VAL 159 Ca 0.00 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.96 1vkf s VAL 159 Cb 0.00 -2.15 -0.15 0.00 0.56 0.00 0.00 36.38 34.64 1vkf s VAL 159 CO 0.00 -0.49 1.30 0.28 -0.31 0.00 0.00 175.10 175.88 1vkf h SER 160 N 2.57 0.80 -5.17 4.85 0.02 -1.66 -3.41 113.55 111.55 1vkf h SER 160 Ca -0.38 -0.61 -0.05 0.00 -0.84 0.00 0.00 61.79 59.91 1vkf h SER 160 Cb 1.21 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.41 1vkf h SER 160 CO 0.64 1.27 -0.11 0.00 -1.14 0.00 0.00 176.83 177.49 1vkf s ALA 161 N -3.83 -0.50 -0.06 3.77 0.00 -1.19 -1.70 121.76 118.24 1vkf s ALA 161 Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1vkf s ALA 161 Cb 0.08 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.10 1vkf s ALA 161 CO 0.86 -0.76 -0.11 0.42 0.00 0.00 0.00 175.76 176.17 1vkf s ILE 162 N -3.93 1.04 -0.19 0.00 1.01 -0.23 -0.59 121.20 118.32 1vkf s ILE 162 Ca 0.14 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 1vkf s ILE 162 Cb 0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1vkf s ILE 162 CO 0.00 0.33 0.48 -0.55 0.00 0.00 0.00 174.94 175.21 1vkf s SER 163 N 0.65 6.55 -0.02 3.58 0.15 -0.26 -0.47 113.70 123.87 1vkf s SER 163 Ca -0.13 0.65 -0.22 0.00 0.70 0.00 0.00 55.95 56.95 1vkf s SER 163 Cb -0.15 -2.28 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1vkf s SER 163 CO 0.03 -0.13 0.48 0.28 1.20 0.00 0.00 173.24 175.10 1vkf s THR 164 N 1.43 0.03 -2.46 6.45 -1.32 -0.62 -4.30 115.64 114.86 1vkf s THR 164 Ca 0.23 -0.27 0.23 0.00 -1.21 0.00 0.00 61.69 60.67 1vkf s THR 164 Cb -0.15 -0.82 0.43 0.00 -1.51 0.00 0.00 72.50 70.45 1vkf s THR 164 CO 0.09 -0.15 1.49 -1.54 -2.21 0.00 0.00 174.62 172.31 1vkf n SER 165 N 1.01 2.34 -4.62 8.08 3.41 -1.25 -0.79 113.62 121.80 1vkf n SER 165 Ca -0.20 -1.80 -0.43 0.00 -0.26 0.00 0.00 58.87 56.18 1vkf n SER 165 Cb 0.57 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.66 6.60 0.46 4.04 0.15 -1.26 -4.89 113.70 117.15 1vkf s SER 166 Ca 0.34 1.05 0.14 0.00 0.70 0.00 0.00 55.95 58.18 1vkf s SER 166 Cb 0.20 -2.54 1.06 0.00 -1.71 0.00 0.00 66.02 63.03 1vkf s SER 166 CO 0.29 -1.17 2.03 0.03 1.20 0.00 0.00 173.24 175.63 1vkf h ARG 167 N 9.56 0.03 -0.29 5.44 -0.00 -1.98 -1.43 114.38 125.70 1vkf h ARG 167 Ca -0.26 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.18 1vkf h ARG 167 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.05 1vkf h ARG 167 CO 1.05 0.15 0.04 0.82 0.00 0.00 0.00 179.97 182.04 1vkf h ILE 168 N 0.02 1.23 -0.02 2.04 2.04 -2.00 -2.84 117.51 117.98 1vkf h ILE 168 Ca 0.00 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1vkf h ILE 168 Cb 0.23 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1vkf h ILE 168 CO 0.02 0.26 -0.26 -0.07 0.00 0.00 0.00 178.15 178.10 1vkf h LEU 169 N 0.30 0.03 -2.30 1.44 3.38 -1.77 -2.28 115.31 114.10 1vkf h LEU 169 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1vkf h LEU 169 Cb 0.34 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1vkf h LEU 169 CO 0.01 0.29 0.05 -0.50 0.09 0.00 0.00 178.44 178.38 1vkf h TRP 170 N 0.03 0.00 -0.02 1.13 4.06 -1.04 -3.47 115.95 116.63 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 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1vkf h TRP 170 CO 0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51