#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkf s THR 3 N 0.00 2.24 0.11 3.34 -4.23 -1.26 -4.85 115.64 110.99 3fkf s THR 3 Ca 0.00 0.08 -0.36 0.00 -1.18 0.00 0.00 61.69 60.23 3fkf s THR 3 Cb 0.00 -2.22 -0.16 0.00 1.34 0.00 0.00 72.50 71.46 3fkf s THR 3 CO 0.00 -0.10 1.37 0.52 -0.54 0.00 0.00 174.62 175.87 3fkf n VAL 4 N -4.36 0.11 -0.25 2.29 0.31 -1.26 -1.34 118.33 113.82 3fkf n VAL 4 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3fkf n VAL 4 Cb 0.53 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3fkf n VAL 4 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fkf n GLY 5 N 2.65 1.15 3.91 2.92 0.00 0.10 -4.96 105.19 110.96 3fkf n GLY 5 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3fkf n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fkf s LYS 6 N -0.49 2.99 0.22 1.61 -0.14 -0.45 -4.78 119.74 118.70 3fkf s LYS 6 Ca 0.00 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 3fkf s LYS 6 Cb 0.00 -2.25 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 3fkf s LYS 6 CO 0.00 -0.69 1.36 -1.12 -0.76 0.00 0.00 175.35 174.15 3fkf s SER 7 N -4.29 6.80 0.04 2.83 0.01 -1.26 -0.82 113.70 117.01 3fkf s SER 7 Ca 0.54 2.51 -0.31 0.00 1.31 0.00 0.00 55.95 60.00 3fkf s SER 7 Cb -0.11 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.45 3fkf s SER 7 CO 0.46 -0.59 1.40 0.00 0.41 0.00 0.00 173.24 174.92 3fkf s ALA 8 N 0.05 3.58 0.53 1.44 0.00 0.23 -4.78 121.76 122.81 3fkf s ALA 8 Ca 0.58 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 53.29 3fkf s ALA 8 Cb -0.39 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.10 3fkf s ALA 8 CO 0.40 -0.80 1.21 -2.30 0.00 0.00 0.00 175.76 174.27 3fkf n PRO 9 N 4.86 1.47 -1.67 0.00 -0.02 -1.26 -4.95 135.00 133.43 3fkf n PRO 9 Ca 0.12 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 3fkf n PRO 9 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3fkf n PRO 9 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3fkf n TYR 10 N -1.07 1.92 -3.97 6.00 9.36 -1.26 -5.02 117.16 123.13 3fkf n TYR 10 Ca 0.11 0.55 -0.09 0.00 3.32 0.00 0.00 57.90 61.79 3fkf n TYR 10 Cb 0.44 -2.35 -0.10 0.00 -0.63 0.00 0.00 39.34 36.70 3fkf n TYR 10 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 3fkf s PHE 11 N -1.16 0.28 -0.24 2.98 -0.12 -1.26 -5.04 117.98 113.41 3fkf s PHE 11 Ca 0.59 -0.62 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 3fkf s PHE 11 Cb -0.56 -0.20 0.11 0.00 -0.63 0.00 0.00 43.02 41.74 3fkf s PHE 11 CO 0.60 -0.33 0.23 0.45 -0.05 0.00 0.00 175.22 176.11 3fkf s SER 12 N -2.16 1.78 -0.02 1.98 0.15 -1.25 -4.21 113.70 109.97 3fkf s SER 12 Ca -0.05 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.10 3fkf s SER 12 Cb -0.01 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 3fkf s SER 12 CO -0.05 -0.36 -0.08 -0.76 1.20 0.00 0.00 173.24 173.19 3fkf s LEU 13 N 2.30 1.87 0.25 3.45 1.43 -0.30 -4.81 118.68 122.88 3fkf s LEU 13 Ca 0.08 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3fkf s LEU 13 Cb -0.15 -0.48 -0.09 0.00 0.03 0.00 0.00 46.19 45.49 3fkf s LEU 13 CO -0.21 0.08 1.05 -2.16 0.23 0.00 0.00 176.35 175.33 3fkf s PRO 14 N 0.04 4.70 0.00 1.29 0.04 -1.26 -0.47 135.00 139.34 3fkf s PRO 14 Ca -0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3fkf s PRO 14 Cb -0.06 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3fkf s PRO 14 CO 0.00 0.28 0.00 0.27 0.04 0.00 0.00 177.00 177.59 3fkf n ASN 15 N 1.53 0.00 0.28 6.66 0.23 -0.29 -1.19 115.26 122.49 3fkf n ASN 15 Ca -0.01 -0.75 0.16 0.00 -0.53 0.00 0.00 54.58 53.46 3fkf n ASN 15 Cb 0.46 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.90 3fkf n ASN 15 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fkf h GLU 16 N 0.00 0.00 -0.63 -3.83 5.08 -1.89 -1.54 114.58 111.77 3fkf h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fkf h GLU 16 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fkf h GLU 16 CO 0.00 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 3fkf n LYS 17 N -3.21 2.80 -0.38 2.33 5.02 -1.26 -4.96 118.16 118.49 3fkf n LYS 17 Ca -0.00 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 3fkf n LYS 17 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3fkf n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fkf n GLY 18 N 1.33 1.00 3.70 0.72 0.00 -0.58 -5.01 105.19 106.34 3fkf n GLY 18 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3fkf n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fkf s GLU 19 N -0.47 4.45 0.03 1.61 2.12 -1.26 -4.65 118.70 120.52 3fkf s GLU 19 Ca 0.00 1.48 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 3fkf s GLU 19 Cb 0.00 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.82 3fkf s GLU 19 CO 0.00 -0.26 1.50 0.15 -0.54 0.00 0.00 175.26 176.10 3fkf s LYS 20 N 1.70 4.25 -0.00 4.30 1.02 -1.26 -1.13 119.74 128.62 3fkf s LYS 20 Ca 0.52 2.10 0.06 0.00 0.02 0.00 0.00 55.97 58.67 3fkf s LYS 20 Cb -0.21 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3fkf s LYS 20 CO 0.22 -0.64 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.31 3fkf s LEU 21 N 2.48 2.49 0.24 3.17 1.43 0.38 -4.83 118.68 124.04 3fkf s LEU 21 Ca 0.68 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3fkf s LEU 21 Cb -0.35 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3fkf s LEU 21 CO 0.29 0.30 0.13 -0.94 0.23 0.00 0.00 176.35 176.35 3fkf s SER 22 N -0.99 0.76 0.49 2.29 1.04 -1.26 -1.15 113.70 114.89 3fkf s SER 22 Ca 0.12 -1.42 0.15 0.00 0.48 0.00 0.00 55.95 55.28 3fkf s SER 22 Cb -0.10 0.30 1.18 0.00 0.10 0.00 0.00 66.02 67.50 3fkf s SER 22 CO 0.02 -0.81 2.11 -0.09 0.98 0.00 0.00 173.24 175.45 3fkf h ARG 23 N 2.47 0.05 0.00 4.02 2.43 -1.96 -1.66 114.38 119.73 3fkf h ARG 23 Ca -0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3fkf h ARG 23 Cb 1.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3fkf h ARG 23 CO 0.55 0.07 0.00 -1.13 -1.51 0.00 0.00 179.97 177.95 3fkf n SER 24 N -4.49 0.00 -4.79 -3.80 3.41 -1.26 -3.38 113.62 99.31 3fkf n SER 24 Ca -0.02 -1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 57.13 3fkf n SER 24 Cb 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3fkf n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fkf s ALA 25 N -2.00 2.69 0.36 7.33 0.00 -0.63 -4.76 121.76 124.75 3fkf s ALA 25 Ca 0.18 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.67 3fkf s ALA 25 Cb 0.08 -3.26 0.78 0.00 0.00 0.00 0.00 23.12 20.72 3fkf s ALA 25 CO 0.14 -0.89 1.91 1.49 0.00 0.00 0.00 175.76 178.41 3fkf h GLU 26 N 0.43 0.71 0.00 0.00 4.22 -1.90 0.11 114.58 118.15 3fkf h GLU 26 Ca -0.47 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3fkf h GLU 26 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3fkf h GLU 26 CO 0.57 0.47 0.00 0.07 -2.18 0.00 0.00 179.01 177.94 3fkf h ARG 27 N 0.73 0.00 0.00 1.92 0.11 -1.94 -3.32 114.38 111.89 3fkf h ARG 27 Ca 0.38 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.38 3fkf h ARG 27 Cb 0.50 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 3fkf h ARG 27 CO -0.15 0.00 -1.46 1.19 0.10 0.00 0.00 179.97 179.65 3fkf n PHE 28 N -3.00 0.00 -1.73 4.08 3.72 0.29 -4.91 117.46 115.91 3fkf n PHE 28 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3fkf n PHE 28 Cb 0.23 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.46 3fkf n PHE 28 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fkf n ARG 29 N -2.10 2.47 -1.97 -1.08 1.74 -0.68 -2.83 116.66 112.21 3fkf n ARG 29 Ca -0.08 0.87 -0.14 0.00 -0.77 0.00 0.00 57.85 57.73 3fkf n ARG 29 Cb 0.55 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.38 3fkf n ARG 29 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fkf n ASN 30 N 1.61 -4.39 -4.22 0.55 3.02 -1.25 -5.00 115.26 105.57 3fkf n ASN 30 Ca 0.07 0.11 -0.21 0.00 -0.03 0.00 0.00 54.58 54.52 3fkf n ASN 30 Cb 0.36 -3.40 -0.12 0.00 -0.61 0.00 0.00 39.78 36.00 3fkf n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fkf s ARG 31 N -4.16 1.00 0.16 3.52 0.52 -1.13 -4.83 118.95 114.03 3fkf s ARG 31 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 3fkf s ARG 31 Cb 0.00 -1.12 -0.10 0.00 0.52 0.00 0.00 34.95 34.25 3fkf s ARG 31 CO 0.00 0.26 1.53 0.71 0.02 0.00 0.00 175.30 177.83 3fkf s TYR 32 N -1.15 3.09 -0.24 -0.53 2.02 0.77 -3.25 117.35 118.07 3fkf s TYR 32 Ca 0.03 0.69 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 3fkf s TYR 32 Cb -0.10 -3.88 0.05 0.00 -0.40 0.00 0.00 41.96 37.63 3fkf s TYR 32 CO 0.03 -3.23 -0.12 -1.17 -1.57 0.00 0.00 175.55 169.50 3fkf s LEU 33 N 1.08 2.97 -0.37 -1.29 2.96 -0.63 -0.28 118.68 123.11 3fkf s LEU 33 Ca 0.69 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.19 3fkf s LEU 33 Cb -0.43 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3fkf s LEU 33 CO 0.31 -0.16 0.74 -0.22 -1.32 0.00 0.00 176.35 175.71 3fkf s LEU 34 N 1.20 4.19 -0.14 -0.68 2.96 0.81 -0.69 118.68 126.33 3fkf s LEU 34 Ca -0.05 0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 3fkf s LEU 34 Cb -0.18 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 3fkf s LEU 34 CO -0.07 -0.72 0.49 -0.76 -1.32 0.00 0.00 176.35 173.97 3fkf s LEU 35 N 3.02 4.24 -0.18 -0.68 1.43 0.47 -1.06 118.68 125.92 3fkf s LEU 35 Ca 0.29 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3fkf s LEU 35 Cb -0.13 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3fkf s LEU 35 CO 0.17 -0.06 -0.13 0.54 0.23 0.00 0.00 176.35 177.11 3fkf s ASN 36 N 0.79 3.77 -0.07 2.29 4.22 0.01 -0.96 114.94 124.99 3fkf s ASN 36 Ca 0.26 -0.47 -0.16 0.00 -2.14 0.00 0.00 52.86 50.34 3fkf s ASN 36 Cb -0.15 -1.60 -0.05 0.00 1.28 0.00 0.00 41.25 40.73 3fkf s ASN 36 CO 0.10 0.04 0.43 -0.36 -2.04 0.00 0.00 177.10 175.27 3fkf s PHE 37 N 1.09 3.60 0.36 1.54 0.08 0.35 -0.42 117.98 124.57 3fkf s PHE 37 Ca 0.00 0.91 -0.13 0.00 0.12 0.00 0.00 56.93 57.83 3fkf s PHE 37 Cb -0.14 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.92 3fkf s PHE 37 CO -0.04 0.37 0.70 1.67 -0.10 0.00 0.00 175.22 177.82 3fkf s TRP 38 N -0.10 0.31 -0.09 0.36 1.48 -0.92 -1.71 118.94 118.27 3fkf s TRP 38 Ca 0.24 -0.85 -0.21 0.00 -1.06 0.00 0.00 56.10 54.22 3fkf s TRP 38 Cb -0.16 0.59 0.05 0.00 -1.16 0.00 0.00 33.47 32.79 3fkf s TRP 38 CO 0.11 -1.42 0.50 0.00 -4.06 0.00 0.00 176.95 172.08 3fkf s ALA 39 N -2.72 -1.26 0.48 2.67 0.00 -1.26 -0.50 121.76 119.16 3fkf s ALA 39 Ca 0.19 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.37 3fkf s ALA 39 Cb -0.04 -0.27 1.28 0.00 0.00 0.00 0.00 23.12 24.09 3fkf s ALA 39 CO 0.13 -0.29 2.08 0.66 0.00 0.00 0.00 175.76 178.34 3fkf h SER 40 N 4.10 0.00 0.24 0.00 4.64 -1.93 -0.05 113.55 120.55 3fkf h SER 40 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3fkf h SER 40 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3fkf h SER 40 CO 0.32 0.11 0.00 -2.67 -0.87 0.00 0.00 176.83 173.72 3fkf n TRP 41 N -4.13 0.00 0.29 4.77 4.27 -1.26 -1.86 117.44 119.51 3fkf n TRP 41 Ca -0.02 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.69 3fkf n TRP 41 Cb 0.19 -0.14 0.19 0.00 -1.36 0.00 0.00 31.31 30.18 3fkf n TRP 41 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3fkf s ASP 43 N -1.39 6.37 0.58 0.00 1.01 -0.78 -4.61 116.67 117.86 3fkf s ASP 43 Ca 0.34 0.97 -0.14 0.00 0.71 0.00 0.00 52.55 54.43 3fkf s ASP 43 Cb 0.20 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.82 3fkf s ASP 43 CO 0.28 -0.47 1.02 -2.16 0.21 0.00 0.00 175.17 174.05 3fkf s PRO 44 N -4.30 3.58 -0.42 8.23 0.04 -1.26 -5.11 135.00 135.76 3fkf s PRO 44 Ca 0.48 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.59 3fkf s PRO 44 Cb -0.10 -2.08 0.28 0.00 0.04 0.00 0.00 34.50 32.64 3fkf s PRO 44 CO 0.38 -0.58 0.63 1.04 0.04 0.00 0.00 177.00 178.51 3fkf n GLN 45 N -2.15 1.10 -0.07 4.56 1.13 -1.26 -5.01 117.38 115.69 3fkf n GLN 45 Ca 0.07 -3.50 0.02 0.00 -1.94 0.00 0.00 57.00 51.65 3fkf n GLN 45 Cb 0.54 -1.52 0.36 0.00 0.11 0.00 0.00 30.24 29.73 3fkf n GLN 45 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3fkf h PRO 46 N 3.68 0.68 -0.02 -1.09 0.13 -1.99 0.11 132.00 133.51 3fkf h PRO 46 Ca 0.10 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3fkf h PRO 46 Cb 0.86 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3fkf h PRO 46 CO 0.53 0.47 -0.03 1.05 -0.23 0.00 0.00 178.00 179.79 3fkf h GLU 47 N 0.70 0.05 -0.31 0.86 9.09 -1.99 -0.66 114.58 122.31 3fkf h GLU 47 Ca 0.19 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.58 3fkf h GLU 47 Cb -0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.03 3fkf h GLU 47 CO -0.04 0.58 0.17 0.00 0.05 0.00 0.00 179.01 179.77 3fkf h ALA 48 N 0.47 0.38 -0.25 1.06 0.00 -1.96 -2.02 119.26 116.94 3fkf h ALA 48 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3fkf h ALA 48 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fkf h ALA 48 CO 0.01 -0.21 -0.23 -0.91 0.00 0.00 0.00 179.25 177.91 3fkf h ASN 49 N 0.35 0.64 -0.56 0.00 2.35 -0.92 -2.08 115.58 115.36 3fkf h ASN 49 Ca 0.13 -0.47 0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3fkf h ASN 49 Cb 0.02 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.16 3fkf h ASN 49 CO -0.08 0.98 0.24 0.00 -1.65 0.00 0.00 177.43 176.92 3fkf h ALA 50 N 0.68 0.72 0.16 -0.83 0.00 -1.08 0.44 119.26 119.35 3fkf h ALA 50 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fkf h ALA 50 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3fkf h ALA 50 CO 0.06 -0.15 -0.26 1.49 0.00 0.00 0.00 179.25 180.39 3fkf h GLU 51 N 0.45 -0.47 -0.81 0.00 4.22 -1.27 0.35 114.58 117.05 3fkf h GLU 51 Ca 0.27 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.76 3fkf h GLU 51 Cb 0.27 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3fkf h GLU 51 CO -0.24 -0.31 0.53 -0.07 -2.18 0.00 0.00 179.01 176.74 3fkf h LEU 52 N -0.49 0.90 -0.88 1.64 3.38 -0.93 -1.96 115.31 116.98 3fkf h LEU 52 Ca 0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3fkf h LEU 52 Cb 0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3fkf h LEU 52 CO -0.12 0.64 0.24 0.11 0.09 0.00 0.00 178.44 179.40 3fkf h LYS 53 N 1.07 1.07 0.36 1.13 1.57 0.16 0.13 116.57 122.05 3fkf h LYS 53 Ca 0.31 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3fkf h LYS 53 Cb -0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3fkf h LYS 53 CO -0.08 0.90 -0.22 0.00 -0.57 0.00 0.00 179.45 179.48 3fkf h ARG 54 N 1.03 -0.53 -0.44 3.15 3.08 -0.71 -2.30 114.38 117.67 3fkf h ARG 54 Ca 0.23 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.37 3fkf h ARG 54 Cb 0.26 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 3fkf h ARG 54 CO -0.01 -0.35 0.16 -0.07 -1.07 0.00 0.00 179.97 178.63 3fkf h LEU 55 N -0.55 0.18 -0.76 3.04 3.38 -1.08 0.95 115.31 120.47 3fkf h LEU 55 Ca -0.04 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3fkf h LEU 55 Cb 0.45 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 3fkf h LEU 55 CO 0.04 0.14 0.30 -1.13 0.09 0.00 0.00 178.44 177.88 3fkf h ASN 56 N 0.34 0.27 -0.00 -0.43 -1.24 -0.60 -1.83 115.58 112.09 3fkf h ASN 56 Ca 0.20 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 3fkf h ASN 56 Cb 0.19 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.33 3fkf h ASN 56 CO -0.20 0.09 -0.06 0.50 -1.29 0.00 0.00 177.43 176.48 3fkf h LYS 57 N 0.44 0.05 -0.98 6.67 3.64 -0.94 -2.75 116.57 122.70 3fkf h LYS 57 Ca 0.42 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.92 3fkf h LYS 57 Cb 0.65 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 3fkf h LYS 57 CO -0.41 0.78 0.61 1.49 -2.27 0.00 0.00 179.45 179.64 3fkf h GLU 58 N -0.66 0.77 -0.19 1.90 4.81 -0.56 -2.94 114.58 117.72 3fkf h GLU 58 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3fkf h GLU 58 Cb 0.79 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3fkf h GLU 58 CO 0.01 0.51 -0.01 0.66 -0.73 0.00 0.00 179.01 179.46 3fkf n TYR 59 N -4.65 0.68 -0.30 0.92 4.01 -0.71 -4.69 117.16 112.41 3fkf n TYR 59 Ca 0.20 -0.95 -0.01 0.00 -0.16 0.00 0.00 57.90 56.99 3fkf n TYR 59 Cb 0.49 -0.28 0.12 0.00 -0.31 0.00 0.00 39.34 39.37 3fkf n TYR 59 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3fkf h LYS 60 N 1.25 0.94 0.00 -0.72 3.64 -1.29 -2.05 116.57 118.33 3fkf h LYS 60 Ca 0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3fkf h LYS 60 Cb 1.33 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3fkf h LYS 60 CO 0.17 0.62 -0.02 0.87 -2.27 0.00 0.00 179.45 178.81 3fkf h LYS 61 N 0.96 0.00 -6.37 1.90 1.57 -1.84 -3.43 116.57 109.35 3fkf h LYS 61 Ca 0.35 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.59 3fkf h LYS 61 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3fkf h LYS 61 CO -0.15 0.02 1.06 1.21 -0.57 0.00 0.00 179.45 181.02 3fkf s ASN 62 N -5.96 6.17 0.00 0.86 3.84 -0.77 -4.89 114.94 114.19 3fkf s ASN 62 Ca 0.04 -0.39 0.02 0.00 0.21 0.00 0.00 52.86 52.74 3fkf s ASN 62 Cb 0.07 -2.56 0.10 0.00 -0.55 0.00 0.00 41.25 38.31 3fkf s ASN 62 CO 0.61 -1.82 0.95 0.29 -2.79 0.00 0.00 177.10 174.34 3fkf n LYS 63 N 9.30 0.02 0.00 0.43 4.76 -1.26 -2.15 118.16 129.25 3fkf n LYS 63 Ca 0.04 0.34 0.13 0.00 -2.87 0.00 0.00 58.31 55.95 3fkf n LYS 63 Cb 0.49 -1.50 0.37 0.00 -1.84 0.00 0.00 35.03 32.55 3fkf n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3fkf n ASN 64 N -1.37 1.52 -4.18 4.39 4.13 -1.26 -4.88 115.26 113.62 3fkf n ASN 64 Ca 0.01 -1.31 -0.28 0.00 1.68 0.00 0.00 54.58 54.68 3fkf n ASN 64 Cb 0.02 0.10 -0.16 0.00 -1.54 0.00 0.00 39.78 38.20 3fkf n ASN 64 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3fkf s PHE 65 N -2.25 1.95 0.00 3.10 5.36 -0.91 -0.16 117.98 125.06 3fkf s PHE 65 Ca 0.29 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 3fkf s PHE 65 Cb 0.20 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 3fkf s PHE 65 CO 0.43 -0.18 0.00 0.00 -1.46 0.00 0.00 175.22 174.01 3fkf n ALA 66 N 3.05 0.00 0.00 11.12 0.00 0.62 -4.93 120.51 130.37 3fkf n ALA 66 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3fkf n ALA 66 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3fkf n ALA 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fkf n LEU 68 N 0.00 0.00 -4.71 0.00 7.94 -0.22 -0.13 117.00 119.88 3fkf n LEU 68 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 3fkf n LEU 68 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3fkf n LEU 68 CO 0.00 0.00 0.45 -0.83 -1.11 0.00 0.00 177.39 175.90 3fkf s GLY 69 N 0.00 2.57 -0.22 -3.96 0.00 0.47 -0.81 107.32 105.37 3fkf s GLY 69 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3fkf s GLY 69 CO 0.00 1.29 -0.14 -0.42 0.00 0.00 0.00 173.10 173.82 3fkf s ILE 70 N 1.01 2.22 0.04 0.90 1.01 0.44 -1.16 121.20 125.66 3fkf s ILE 70 Ca 0.39 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3fkf s ILE 70 Cb -0.18 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3fkf s ILE 70 CO 0.18 0.24 0.28 -0.55 0.00 0.00 0.00 174.94 175.10 3fkf s SER 71 N 1.21 6.48 -0.29 3.58 0.15 -0.74 -2.18 113.70 121.92 3fkf s SER 71 Ca -0.02 0.53 0.12 0.00 0.70 0.00 0.00 55.95 57.27 3fkf s SER 71 Cb -0.17 -2.07 0.79 0.00 -1.71 0.00 0.00 66.02 62.86 3fkf s SER 71 CO -0.08 0.20 1.79 0.18 1.20 0.00 0.00 173.24 176.53 3fkf n LEU 72 N 0.78 6.00 -4.57 3.45 4.32 0.34 -4.53 117.00 122.78 3fkf n LEU 72 Ca -0.08 -3.10 -0.38 0.00 -0.02 0.00 0.00 56.01 52.42 3fkf n LEU 72 Cb 0.52 -0.72 0.04 0.00 -1.62 0.00 0.00 43.42 41.64 3fkf n LEU 72 CO 0.44 0.73 0.39 0.47 -1.22 0.00 0.00 177.39 178.21 3fkf n ASP 73 N 0.20 0.25 -0.12 -1.43 8.00 -1.26 -3.62 116.55 118.56 3fkf n ASP 73 Ca 0.35 0.82 0.04 0.00 0.71 0.00 0.00 54.79 56.71 3fkf n ASP 73 Cb 1.32 -1.31 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 3fkf n ASP 73 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3fkf n ILE 74 N -1.53 0.00 -3.95 0.53 -5.35 -1.26 -3.50 119.36 104.30 3fkf n ILE 74 Ca 0.12 -0.38 -0.29 0.00 -0.27 0.00 0.00 62.75 61.94 3fkf n ILE 74 Cb 0.46 1.06 -0.17 0.00 -1.74 0.00 0.00 39.64 39.26 3fkf n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fkf s ASP 75 N -1.40 2.67 0.26 7.28 2.15 -1.26 -4.85 116.67 121.53 3fkf s ASP 75 Ca 0.05 -0.53 -0.03 0.00 0.43 0.00 0.00 52.55 52.47 3fkf s ASP 75 Cb 0.06 -1.03 0.53 0.00 -0.30 0.00 0.00 42.92 42.19 3fkf s ASP 75 CO 0.25 -0.12 1.67 -0.09 -0.17 0.00 0.00 175.17 176.71 3fkf h ARG 76 N 8.09 0.23 -0.01 4.34 2.43 -1.99 -1.70 114.38 125.78 3fkf h ARG 76 Ca -0.31 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3fkf h ARG 76 Cb 1.12 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3fkf h ARG 76 CO 0.46 0.15 0.00 1.49 -1.51 0.00 0.00 179.97 180.56 3fkf h GLU 77 N 0.24 0.01 -0.22 0.20 4.57 -1.99 -0.39 114.58 117.01 3fkf h GLU 77 Ca 0.46 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.67 3fkf h GLU 77 Cb 0.82 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3fkf h GLU 77 CO -0.57 0.25 0.02 0.00 -1.18 0.00 0.00 179.01 177.53 3fkf h ALA 78 N 0.76 0.21 0.27 2.92 0.00 -1.96 -1.09 119.26 120.37 3fkf h ALA 78 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fkf h ALA 78 Cb 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3fkf h ALA 78 CO 0.00 -0.41 -0.32 2.35 0.00 0.00 0.00 179.25 180.88 3fkf h TRP 79 N 0.10 -0.85 -0.89 0.00 7.01 -1.20 -2.30 115.95 117.82 3fkf h TRP 79 Ca 0.10 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.24 3fkf h TRP 79 Cb 0.11 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 27.43 3fkf h TRP 79 CO -0.17 -0.44 0.51 0.93 -2.79 0.00 0.00 178.44 176.48 3fkf h GLU 80 N -0.63 0.76 -0.37 2.65 4.39 -1.03 -0.37 114.58 119.97 3fkf h GLU 80 Ca -0.01 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3fkf h GLU 80 Cb 0.60 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3fkf h GLU 80 CO -0.09 0.50 0.19 1.15 -1.16 0.00 0.00 179.01 179.61 3fkf h THR 81 N 0.78 0.99 -0.58 1.13 2.02 -1.04 -1.38 112.91 114.83 3fkf h THR 81 Ca 0.46 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 3fkf h THR 81 Cb 0.54 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3fkf h THR 81 CO -0.30 0.07 0.04 0.00 0.37 0.00 0.00 175.52 175.70 3fkf h ALA 82 N 1.19 0.78 -0.71 6.16 0.00 -0.96 0.28 119.26 126.00 3fkf h ALA 82 Ca 0.15 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3fkf h ALA 82 Cb 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3fkf h ALA 82 CO -0.10 0.58 0.30 0.82 0.00 0.00 0.00 179.25 180.85 3fkf h ILE 83 N 0.89 0.75 0.01 0.00 2.04 -0.71 -1.75 117.51 118.73 3fkf h ILE 83 Ca 0.17 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 3fkf h ILE 83 Cb 0.50 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3fkf h ILE 83 CO 0.02 0.09 -0.52 0.11 0.00 0.00 0.00 178.15 177.86 3fkf h LYS 84 N 0.49 0.34 -0.86 2.37 6.56 -0.96 0.49 116.57 125.00 3fkf h LYS 84 Ca 0.37 -0.37 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3fkf h LYS 84 Cb 0.48 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.21 3fkf h LYS 84 CO -0.34 1.06 0.57 -0.22 -2.06 0.00 0.00 179.45 178.46 3fkf h LYS 85 N -0.23 1.12 -0.13 3.15 3.64 -0.86 -2.56 116.57 120.69 3fkf h LYS 85 Ca -0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3fkf h LYS 85 Cb 1.25 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3fkf h LYS 85 CO 0.10 0.74 0.00 -0.25 -2.27 0.00 0.00 179.45 177.77 3fkf n ASP 86 N -4.50 2.22 -3.85 4.20 8.00 -0.67 -4.98 116.55 116.97 3fkf n ASP 86 Ca 0.09 -1.76 -0.35 0.00 0.71 0.00 0.00 54.79 53.48 3fkf n ASP 86 Cb 0.03 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3fkf n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fkf n THR 87 N 0.70 -4.47 -2.51 -3.53 -1.04 -0.68 -4.87 114.28 97.89 3fkf n THR 87 Ca 0.17 -0.79 -0.43 0.00 -2.04 0.00 0.00 64.05 60.96 3fkf n THR 87 Cb 0.44 -3.45 0.00 0.00 -1.82 0.00 0.00 70.33 65.51 3fkf n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3fkf n LEU 88 N -4.48 5.64 0.20 -4.42 4.77 0.08 -4.81 117.00 113.98 3fkf n LEU 88 Ca -0.13 -4.25 0.05 0.00 -0.03 0.00 0.00 56.01 51.65 3fkf n LEU 88 Cb 0.60 -1.65 0.43 0.00 -2.33 0.00 0.00 43.42 40.47 3fkf n LEU 88 CO 0.71 0.70 0.78 0.28 -1.33 0.00 0.00 177.39 178.53 3fkf h SER 89 N 6.86 0.00 -3.38 -1.43 0.02 -1.89 -3.45 113.55 110.27 3fkf h SER 89 Ca 0.42 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.95 3fkf h SER 89 Cb 0.79 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.53 3fkf h SER 89 CO 1.49 0.31 0.05 -1.66 -1.14 0.00 0.00 176.83 175.88 3fkf s TRP 90 N -4.17 0.65 0.38 3.45 -2.14 -1.26 -4.95 118.94 110.90 3fkf s TRP 90 Ca -0.03 0.74 -0.27 0.00 2.66 0.00 0.00 56.10 59.20 3fkf s TRP 90 Cb 0.14 -3.19 -0.11 0.00 -3.10 0.00 0.00 33.47 27.21 3fkf s TRP 90 CO 0.70 -4.04 1.40 -0.25 -2.66 0.00 0.00 176.95 172.10 3fkf n ASP 91 N -4.95 3.31 -3.87 -2.66 8.00 -1.26 -4.86 116.55 110.27 3fkf n ASP 91 Ca 0.09 1.20 -0.19 0.00 0.71 0.00 0.00 54.79 56.59 3fkf n ASP 91 Cb 0.58 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.95 3fkf n ASP 91 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3fkf s GLN 92 N -2.10 0.69 0.18 -1.24 -1.52 -1.26 -0.40 119.66 114.01 3fkf s GLN 92 Ca 0.56 -0.05 0.06 0.00 -1.95 0.00 0.00 55.36 53.98 3fkf s GLN 92 Cb -0.50 -0.76 -0.05 0.00 -0.22 0.00 0.00 33.01 31.48 3fkf s GLN 92 CO 0.62 -0.11 -0.11 0.14 -0.25 0.00 0.00 175.29 175.58 3fkf s VAL 93 N 1.02 1.41 -0.29 1.09 -7.23 -0.31 -3.46 120.40 112.64 3fkf s VAL 93 Ca -0.10 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.78 3fkf s VAL 93 Cb -0.14 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 34.95 3fkf s VAL 93 CO -0.01 -0.64 0.92 0.00 -0.31 0.00 0.00 175.10 175.07 3fkf n ASP 95 N 3.58 3.41 -2.44 0.00 5.75 -1.26 -4.41 116.55 121.17 3fkf n ASP 95 Ca -0.18 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.42 3fkf n ASP 95 Cb 0.58 -0.35 0.02 0.00 -1.03 0.00 0.00 41.12 40.34 3fkf n ASP 95 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3fkf n PHE 96 N 1.05 -1.50 0.15 2.11 3.72 -1.24 -4.90 117.46 116.84 3fkf n PHE 96 Ca 0.18 0.36 0.11 0.00 -0.05 0.00 0.00 57.45 58.05 3fkf n PHE 96 Cb 0.52 -3.85 -0.11 0.00 -0.94 0.00 0.00 39.48 35.10 3fkf n PHE 96 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fkf n THR 97 N -4.26 0.15 -4.22 4.37 -2.24 -1.25 -4.68 114.28 102.15 3fkf n THR 97 Ca -0.11 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3fkf n THR 97 Cb 0.61 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3fkf n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkf n GLY 98 N 1.27 -0.41 0.01 3.38 0.00 -1.23 -4.13 105.19 104.09 3fkf n GLY 98 Ca -0.02 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 45.00 3fkf n GLY 98 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fkf n LEU 99 N 0.00 0.07 -0.78 0.99 0.00 -1.26 -0.43 117.00 115.59 3fkf n LEU 99 Ca 0.00 0.52 0.12 0.00 0.00 0.00 0.00 56.01 56.64 3fkf n LEU 99 Cb 0.00 -0.51 0.31 0.00 0.00 0.00 0.00 43.42 43.22 3fkf n LEU 99 CO 0.00 -0.27 0.75 -1.54 0.00 0.00 0.00 177.39 176.33 3fkf n SER 100 N -1.58 2.36 -0.63 1.96 3.41 -1.26 -4.96 113.62 112.92 3fkf n SER 100 Ca 0.04 -1.80 -0.09 0.00 -0.26 0.00 0.00 58.87 56.75 3fkf n SER 100 Cb 0.19 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3fkf n SER 100 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3fkf n SER 101 N 0.79 0.10 -0.24 4.04 2.88 0.42 -4.76 113.62 116.85 3fkf n SER 101 Ca 0.17 0.16 0.02 0.00 -1.33 0.00 0.00 58.87 57.89 3fkf n SER 101 Cb 0.45 -0.12 0.14 0.00 -0.75 0.00 0.00 64.21 63.93 3fkf n SER 101 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3fkf h GLU 102 N 0.58 0.54 -0.17 -1.46 4.81 -1.94 -1.73 114.58 115.21 3fkf h GLU 102 Ca -0.06 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3fkf h GLU 102 Cb 0.19 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3fkf h GLU 102 CO 0.12 0.36 0.04 1.15 -0.73 0.00 0.00 179.01 179.94 3fkf h THR 103 N 0.55 0.94 0.01 0.32 2.02 -1.96 0.18 112.91 114.96 3fkf h THR 103 Ca 0.35 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.52 3fkf h THR 103 Cb 0.41 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3fkf h THR 103 CO -0.29 0.02 -0.14 0.00 0.37 0.00 0.00 175.52 175.48 3fkf h ALA 104 N 1.11 -0.16 -0.36 6.16 0.00 -1.88 -0.34 119.26 123.79 3fkf h ALA 104 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fkf h ALA 104 Cb 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fkf h ALA 104 CO -0.09 -0.63 0.13 -0.22 0.00 0.00 0.00 179.25 178.44 3fkf h LYS 105 N -0.23 0.27 -0.03 0.00 3.64 -1.17 0.75 116.57 119.79 3fkf h LYS 105 Ca 0.05 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3fkf h LYS 105 Cb 0.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3fkf h LYS 105 CO -0.13 0.18 -0.32 1.96 -2.27 0.00 0.00 179.45 178.87 3fkf h GLN 106 N 0.28 0.06 -0.04 1.90 4.20 -0.31 0.44 115.11 121.64 3fkf h GLN 106 Ca 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3fkf h GLN 106 Cb 0.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3fkf h GLN 106 CO -0.17 0.38 0.00 0.66 -0.67 0.00 0.00 178.83 179.03 3fkf n TYR 107 N -4.14 0.05 -3.91 2.96 4.02 -0.17 -4.85 117.16 111.12 3fkf n TYR 107 Ca -0.02 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 57.58 3fkf n TYR 107 Cb 0.37 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3fkf n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fkf n ALA 108 N -0.50 -1.83 -2.71 -0.72 0.00 0.15 -4.93 120.51 109.97 3fkf n ALA 108 Ca 0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3fkf n ALA 108 Cb 0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 3fkf n ALA 108 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fkf s ILE 109 N -3.72 4.91 -0.22 0.00 -1.09 0.14 -4.95 121.20 116.28 3fkf s ILE 109 Ca 0.18 1.86 0.13 0.00 -2.23 0.00 0.00 60.65 60.59 3fkf s ILE 109 Cb -0.09 -4.23 -0.22 0.00 -1.58 0.00 0.00 42.46 36.33 3fkf s ILE 109 CO 0.86 0.16 -0.01 0.18 -1.23 0.00 0.00 174.94 174.90 3fkf n LEU 110 N 4.09 0.98 -4.13 2.97 4.77 -1.26 -4.76 117.00 119.66 3fkf n LEU 110 Ca 0.04 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3fkf n LEU 110 Cb 0.51 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3fkf n LEU 110 CO 0.50 0.64 0.08 0.42 -1.33 0.00 0.00 177.39 177.70 3fkf s THR 111 N -2.50 0.00 0.03 -5.08 -4.23 -1.26 -5.18 115.64 97.42 3fkf s THR 111 Ca -0.18 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3fkf s THR 111 Cb 0.07 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3fkf s THR 111 CO 0.76 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.93 3fkf s LEU 112 N -3.26 2.15 0.46 4.79 1.43 -1.26 -4.21 118.68 118.78 3fkf s LEU 112 Ca 0.33 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 3fkf s LEU 112 Cb 0.00 -0.62 -0.09 0.00 0.03 0.00 0.00 46.19 45.51 3fkf s LEU 112 CO 0.22 0.05 1.03 -2.16 0.23 0.00 0.00 176.35 175.72 3fkf s PRO 113 N -1.04 3.93 -0.02 1.29 0.04 -1.26 -5.07 135.00 132.86 3fkf s PRO 113 Ca 0.02 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3fkf s PRO 113 Cb -0.08 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3fkf s PRO 113 CO 0.01 -0.33 -0.00 0.99 0.04 0.00 0.00 177.00 177.71 3fkf s THR 114 N -1.92 0.13 -0.13 1.26 2.01 -0.69 -4.98 115.64 111.33 3fkf s THR 114 Ca 0.65 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.63 3fkf s THR 114 Cb -0.17 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3fkf s THR 114 CO 0.21 0.11 0.14 0.20 -0.69 0.00 0.00 174.62 174.59 3fkf s ASN 115 N 0.72 6.37 -0.11 3.53 0.01 -1.26 -0.50 114.94 123.70 3fkf s ASN 115 Ca -0.07 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 3fkf s ASN 115 Cb -0.10 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.50 3fkf s ASN 115 CO -0.01 0.37 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.18 3fkf s ILE 116 N -0.80 1.39 -0.25 0.60 -1.09 -0.13 -0.30 121.20 120.61 3fkf s ILE 116 Ca 0.14 -0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 57.89 3fkf s ILE 116 Cb -0.12 -1.29 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 3fkf s ILE 116 CO 0.03 0.42 0.15 -0.22 -1.23 0.00 0.00 174.94 174.09 3fkf s LEU 117 N 1.12 3.93 0.11 2.97 2.96 -0.21 -0.39 118.68 129.17 3fkf s LEU 117 Ca -0.04 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3fkf s LEU 117 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3fkf s LEU 117 CO -0.03 0.01 0.10 -0.76 -1.32 0.00 0.00 176.35 174.35 3fkf s LEU 118 N 1.38 3.83 0.64 -0.68 1.43 0.13 -0.02 118.68 125.38 3fkf s LEU 118 Ca 0.07 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3fkf s LEU 118 Cb -0.15 -2.49 0.04 0.00 0.03 0.00 0.00 46.19 43.63 3fkf s LEU 118 CO 0.07 0.14 0.92 -0.94 0.23 0.00 0.00 176.35 176.77 3fkf s SER 119 N -2.62 5.08 0.65 2.29 1.04 0.70 -1.61 113.70 119.23 3fkf s SER 119 Ca 0.30 0.36 0.35 0.00 0.48 0.00 0.00 55.95 57.44 3fkf s SER 119 Cb -0.12 -1.14 1.94 0.00 0.10 0.00 0.00 66.02 66.81 3fkf s SER 119 CO 0.23 -1.37 2.12 -0.65 0.98 0.00 0.00 173.24 174.54 3fkf h PRO 120 N -0.33 0.00 -0.44 4.02 0.11 -1.87 0.25 132.00 133.74 3fkf h PRO 120 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fkf h PRO 120 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3fkf h PRO 120 CO 0.58 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.62 3fkf n THR 121 N -3.11 0.58 -1.84 -1.15 -2.24 -1.26 -3.92 114.28 101.34 3fkf n THR 121 Ca -0.02 -0.66 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 3fkf n THR 121 Cb 0.26 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3fkf n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkf n GLY 122 N 1.35 0.33 3.76 3.38 0.00 0.87 -4.96 105.19 109.91 3fkf n GLY 122 Ca 0.18 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3fkf n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fkf s LYS 123 N -3.73 2.98 -0.37 1.61 2.20 -1.26 -0.60 119.74 120.57 3fkf s LYS 123 Ca 0.00 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 3fkf s LYS 123 Cb 0.00 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.54 3fkf s LYS 123 CO 0.00 0.63 1.23 0.42 -0.36 0.00 0.00 175.35 177.26 3fkf s ILE 124 N -1.21 4.20 -0.25 5.43 1.01 -0.00 -0.22 121.20 130.17 3fkf s ILE 124 Ca 0.23 1.32 0.22 0.00 0.00 0.00 0.00 60.65 62.43 3fkf s ILE 124 Cb -0.12 -4.33 -0.11 0.00 0.01 0.00 0.00 42.46 37.90 3fkf s ILE 124 CO 0.15 -0.65 0.89 0.18 0.00 0.00 0.00 174.94 175.50 3fkf n LEU 125 N 7.69 0.57 -3.64 2.97 4.77 0.96 0.03 117.00 130.35 3fkf n LEU 125 Ca 0.14 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3fkf n LEU 125 Cb 0.47 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3fkf n LEU 125 CO 0.65 -0.09 0.91 0.00 -1.33 0.00 0.00 177.39 177.53 3fkf s ALA 126 N -3.38 -2.20 -0.05 -1.18 0.00 -1.18 -4.93 121.76 108.84 3fkf s ALA 126 Ca -0.02 1.88 0.05 0.00 0.00 0.00 0.00 51.96 53.88 3fkf s ALA 126 Cb 0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3fkf s ALA 126 CO 0.82 -0.22 -0.21 1.03 0.00 0.00 0.00 175.76 177.18 3fkf s ARG 127 N 0.47 2.17 -1.38 0.00 0.52 -1.26 -1.04 118.95 118.43 3fkf s ARG 127 Ca 0.01 -0.76 -0.09 0.00 -0.52 0.00 0.00 55.73 54.37 3fkf s ARG 127 Cb -0.04 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.59 3fkf s ARG 127 CO -0.11 0.31 1.12 -3.47 0.02 0.00 0.00 175.30 173.17 3fkf n ASP 128 N 3.04 -5.52 -4.72 0.23 -0.08 0.58 -4.96 116.55 105.13 3fkf n ASP 128 Ca -0.18 -0.60 -0.38 0.00 -1.51 0.00 0.00 54.79 52.12 3fkf n ASP 128 Cb 0.52 -4.80 -0.06 0.00 2.34 0.00 0.00 41.12 39.12 3fkf n ASP 128 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3fkf s ILE 129 N -3.33 5.20 0.29 5.18 2.07 -1.20 -4.87 121.20 124.55 3fkf s ILE 129 Ca 0.53 0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 60.59 3fkf s ILE 129 Cb -0.24 -3.79 -0.00 0.00 0.13 0.00 0.00 42.46 38.56 3fkf s ILE 129 CO 0.75 0.33 0.45 0.00 -1.91 0.00 0.00 174.94 174.56 3fkf s GLN 130 N 0.65 1.71 5.43 3.50 -2.07 -1.26 -4.49 119.66 123.14 3fkf s GLN 130 Ca 0.24 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 52.23 3fkf s GLN 130 Cb -0.15 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 3fkf s GLN 130 CO 0.09 -0.70 0.00 0.41 -1.32 0.00 0.00 175.29 173.77 3fkf n GLY 131 N -0.46 2.90 0.31 2.60 0.00 -1.26 -2.15 105.19 107.13 3fkf n GLY 131 Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 3fkf n GLY 131 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fkf h GLU 132 N 0.00 0.98 -0.02 1.61 5.08 -2.00 -1.80 114.58 118.43 3fkf h GLU 132 Ca 0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3fkf h GLU 132 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3fkf h GLU 132 CO 0.00 0.87 -0.08 0.00 -1.00 0.00 0.00 179.01 178.80 3fkf h ALA 133 N 1.23 1.83 0.04 3.43 0.00 -1.90 0.16 119.26 124.05 3fkf h ALA 133 Ca 0.20 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3fkf h ALA 133 Cb 0.33 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fkf h ALA 133 CO -0.00 0.13 -0.29 1.25 0.00 0.00 0.00 179.25 180.33 3fkf h LEU 134 N 0.03 0.19 -0.57 0.00 5.85 -0.90 -2.02 115.31 117.90 3fkf h LEU 134 Ca 0.01 -0.92 0.09 0.00 0.84 0.00 0.00 57.88 57.90 3fkf h LEU 134 Cb 0.16 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3fkf h LEU 134 CO 0.01 1.09 0.17 0.74 -0.34 0.00 0.00 178.44 180.11 3fkf h THR 135 N -0.68 0.73 -0.42 1.05 2.02 -0.85 -2.13 112.91 112.63 3fkf h THR 135 Ca -0.05 -0.11 -0.14 0.00 0.77 0.00 0.00 66.41 66.88 3fkf h THR 135 Cb 1.17 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3fkf h THR 135 CO 0.06 0.06 -0.28 1.23 0.37 0.00 0.00 175.52 176.96 3fkf h GLY 136 N 0.32 1.00 0.87 2.16 0.00 -0.77 -2.19 103.07 104.47 3fkf h GLY 136 Ca 0.29 -0.95 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3fkf h GLY 136 CO -0.33 0.86 0.17 1.70 0.00 0.00 0.00 176.54 178.94 3fkf h LYS 137 N 0.75 0.34 -0.43 4.80 1.63 -1.13 -1.24 116.57 121.29 3fkf h LYS 137 Ca 0.08 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 3fkf h LYS 137 Cb 0.86 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3fkf h LYS 137 CO 0.08 0.23 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.15 3fkf h LEU 138 N 0.35 0.82 -0.29 5.20 3.38 -1.37 -1.23 115.31 122.17 3fkf h LEU 138 Ca 0.13 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3fkf h LEU 138 Cb 0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3fkf h LEU 138 CO -0.08 0.98 -0.19 0.50 0.09 0.00 0.00 178.44 179.74 3fkf h LYS 139 N 0.65 -0.15 -0.37 1.13 3.64 -1.26 -0.89 116.57 119.31 3fkf h LYS 139 Ca 0.11 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3fkf h LYS 139 Cb 0.61 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3fkf h LYS 139 CO 0.04 -0.10 0.26 1.49 -2.27 0.00 0.00 179.45 178.87 3fkf h GLU 140 N -0.16 0.14 0.00 1.90 4.81 -1.04 -3.09 114.58 117.14 3fkf h GLU 140 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3fkf h GLU 140 Cb 0.39 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3fkf h GLU 140 CO -0.39 0.09 -1.32 1.28 -0.73 0.00 0.00 179.01 177.95 3fkf n LEU 141 N -4.46 0.51 -0.52 1.64 4.77 -0.48 -5.10 117.00 113.37 3fkf n LEU 141 Ca 0.05 0.07 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 3fkf n LEU 141 Cb 0.35 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3fkf n LEU 141 CO 0.35 -0.03 0.45 0.18 -1.33 0.00 0.00 177.39 177.02