#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 2.67 -0.09 3.34 -4.23 -1.26 -4.90 115.64 111.18 3fkf s THR 3 Ca 0.00 0.22 -0.40 0.00 -1.18 0.00 0.00 61.69 60.32 3fkf s THR 3 Cb 0.00 -3.13 -0.19 0.00 1.34 0.00 0.00 72.50 70.52 3fkf s THR 3 CO 0.00 -0.28 1.28 0.52 -0.54 0.00 0.00 174.62 175.60 3fkf n VAL 4 N -3.31 0.03 0.00 2.29 0.31 -1.26 -1.68 118.33 114.70 3fkf n VAL 4 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3fkf n VAL 4 Cb 0.59 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 2.39 1.47 3.87 2.92 0.00 0.25 -4.96 105.19 111.14 3fkf n GLY 5 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.63 3.38 0.15 1.61 -0.14 -0.68 -4.78 119.74 118.66 3fkf s LYS 6 Ca 0.00 0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 54.96 3fkf s LYS 6 Cb 0.00 -2.07 -0.08 0.00 -1.68 0.00 0.00 37.83 34.00 3fkf s LYS 6 CO 0.00 -0.70 1.30 -1.12 -0.76 0.00 0.00 175.35 174.07 3fkf s SER 7 N -4.23 6.93 0.17 2.83 0.01 -1.26 -1.54 113.70 116.60 3fkf s SER 7 Ca 0.56 2.29 -0.32 0.00 1.31 0.00 0.00 55.95 59.79 3fkf s SER 7 Cb -0.11 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 3fkf s SER 7 CO 0.53 -0.53 1.70 0.00 0.41 0.00 0.00 173.24 175.35 3fkf s ALA 8 N 0.54 3.84 0.32 1.44 0.00 0.41 -4.86 121.76 123.45 3fkf s ALA 8 Ca 0.59 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.74 3fkf s ALA 8 Cb -0.35 -3.69 -0.13 0.00 0.00 0.00 0.00 23.12 18.95 3fkf s ALA 8 CO 0.34 -0.97 1.25 -2.30 0.00 0.00 0.00 175.76 174.08 3fkf n PRO 9 N 4.50 1.99 -1.62 0.00 -0.02 -1.26 -4.95 135.00 133.64 3fkf n PRO 9 Ca 0.16 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 3fkf n PRO 9 Cb 0.37 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.43 1.31 -4.04 6.00 9.36 -1.26 -5.04 117.16 123.92 3fkf n TYR 10 Ca 0.06 0.57 -0.08 0.00 3.32 0.00 0.00 57.90 61.78 3fkf n TYR 10 Cb 0.35 -2.25 -0.10 0.00 -0.63 0.00 0.00 39.34 36.71 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 -1.23 0.40 -0.24 2.98 -0.12 -1.26 -5.06 117.98 113.45 3fkf s PHE 11 Ca 0.62 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3fkf s PHE 11 Cb -0.57 -0.30 0.12 0.00 -0.63 0.00 0.00 43.02 41.63 3fkf s PHE 11 CO 0.58 -0.31 0.27 0.45 -0.05 0.00 0.00 175.22 176.15 3fkf s SER 12 N -2.34 1.38 -0.01 1.98 0.15 -1.25 -4.24 113.70 109.37 3fkf s SER 12 Ca -0.02 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.27 3fkf s SER 12 Cb 0.01 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3fkf s SER 12 CO -0.06 -0.35 -0.09 -0.76 1.20 0.00 0.00 173.24 173.18 3fkf s LEU 13 N 2.37 2.01 0.31 3.45 1.43 -0.75 -4.81 118.68 122.69 3fkf s LEU 13 Ca 0.09 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 3fkf s LEU 13 Cb -0.15 -0.45 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 3fkf s LEU 13 CO -0.21 0.11 0.94 -2.16 0.23 0.00 0.00 176.35 175.26 3fkf s PRO 14 N -0.19 4.62 0.02 1.29 0.04 -1.26 -0.67 135.00 138.85 3fkf s PRO 14 Ca 0.03 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 3fkf s PRO 14 Cb -0.04 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.64 3fkf s PRO 14 CO -0.00 0.31 0.03 0.27 0.04 0.00 0.00 177.00 177.65 3fkf n ASN 15 N 0.69 0.02 0.28 6.66 6.94 0.09 -1.91 115.26 128.04 3fkf n ASN 15 Ca 0.01 -1.02 0.19 0.00 -0.02 0.00 0.00 54.58 53.74 3fkf n ASN 15 Cb 0.50 -0.02 0.97 0.00 -2.36 0.00 0.00 39.78 38.87 3fkf n ASN 15 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3fkf h GLU 16 N 0.00 0.00 -0.57 -3.83 5.08 -1.89 -1.55 114.58 111.82 3fkf h GLU 16 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fkf h GLU 16 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3fkf h GLU 16 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3fkf n LYS 17 N -2.87 2.78 -0.78 2.33 4.01 -1.26 -4.97 118.16 117.40 3fkf n LYS 17 Ca -0.02 -2.40 0.00 0.00 -0.51 0.00 0.00 58.31 55.38 3fkf n LYS 17 Cb 0.11 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 3fkf n LYS 17 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fkf n GLY 18 N 1.17 0.86 3.70 0.72 0.00 -0.58 -5.02 105.19 106.04 3fkf n GLY 18 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.22 4.44 0.01 1.61 2.12 -1.26 -4.62 118.70 120.78 3fkf s GLU 19 Ca 0.00 1.15 -0.30 0.00 0.36 0.00 0.00 54.97 56.18 3fkf s GLU 19 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 3fkf s GLU 19 CO 0.00 -0.11 1.19 0.15 -0.54 0.00 0.00 175.26 175.95 3fkf s LYS 20 N 1.33 4.40 -0.02 4.30 1.02 -1.26 -0.73 119.74 128.78 3fkf s LYS 20 Ca 0.44 1.71 0.04 0.00 0.02 0.00 0.00 55.97 58.18 3fkf s LYS 20 Cb -0.19 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 3fkf s LYS 20 CO 0.20 -0.33 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.66 3fkf s LEU 21 N 1.60 2.83 0.33 3.17 1.43 0.15 -4.81 118.68 123.38 3fkf s LEU 21 Ca 0.57 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3fkf s LEU 21 Cb -0.27 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3fkf s LEU 21 CO 0.26 0.31 0.12 -0.44 0.23 0.00 0.00 176.35 176.83 3fkf s SER 22 N -1.06 1.99 0.40 2.29 0.01 -1.26 -1.80 113.70 114.26 3fkf s SER 22 Ca 0.14 -1.53 0.09 0.00 1.31 0.00 0.00 55.95 55.96 3fkf s SER 22 Cb -0.11 0.29 0.82 0.00 0.21 0.00 0.00 66.02 67.23 3fkf s SER 22 CO 0.03 -0.82 1.95 -0.09 0.41 0.00 0.00 173.24 174.73 3fkf h ARG 23 N 2.10 0.30 0.00 12.44 2.43 -1.96 -2.08 114.38 127.60 3fkf h ARG 23 Ca -0.36 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3fkf h ARG 23 Cb 1.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3fkf h ARG 23 CO 0.58 0.36 0.00 -1.13 -1.51 0.00 0.00 179.97 178.27 3fkf n SER 24 N -4.33 0.00 -4.76 -3.80 3.41 -1.26 -2.59 113.62 100.29 3fkf n SER 24 Ca -0.00 -1.83 -0.34 0.00 -0.26 0.00 0.00 58.87 56.45 3fkf n SER 24 Cb 0.22 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 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 2.42 0.39 7.33 0.00 -0.78 -4.72 121.76 124.38 3fkf s ALA 25 Ca 0.04 0.66 0.20 0.00 0.00 0.00 0.00 51.96 52.86 3fkf s ALA 25 Cb 0.02 -3.36 1.08 0.00 0.00 0.00 0.00 23.12 20.87 3fkf s ALA 25 CO 0.03 -1.35 1.96 0.93 0.00 0.00 0.00 175.76 177.33 3fkf h GLU 26 N 0.10 0.00 0.00 0.00 5.08 -1.90 0.62 114.58 118.47 3fkf h GLU 26 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3fkf h GLU 26 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3fkf h GLU 26 CO 0.53 0.22 0.00 0.07 -1.00 0.00 0.00 179.01 178.83 3fkf h ARG 27 N 0.00 0.00 0.00 2.33 0.11 -1.92 -3.34 114.38 111.56 3fkf h ARG 27 Ca -0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 3fkf h ARG 27 Cb 0.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 3fkf h ARG 27 CO 0.03 0.00 -1.24 1.19 0.10 0.00 0.00 179.97 180.05 3fkf n PHE 28 N -2.76 0.00 -1.98 4.08 3.72 -0.50 -4.84 117.46 115.18 3fkf n PHE 28 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3fkf n PHE 28 Cb 0.28 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3fkf n PHE 28 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3fkf s ARG 29 N -2.16 4.25 -1.11 -1.08 1.70 0.09 -3.26 118.95 117.38 3fkf s ARG 29 Ca -0.02 2.36 -0.07 0.00 -0.47 0.00 0.00 55.73 57.54 3fkf s ARG 29 Cb 0.02 -3.06 0.01 0.00 -0.57 0.00 0.00 34.95 31.35 3fkf s ARG 29 CO 0.16 -0.39 0.97 -1.71 -1.08 0.00 0.00 175.30 173.25 3fkf n ASN 30 N 1.41 -5.24 -4.15 -2.89 5.15 -1.25 -5.01 115.26 103.27 3fkf n ASN 30 Ca 0.03 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.43 3fkf n ASN 30 Cb 0.40 -4.27 -0.11 0.00 -0.53 0.00 0.00 39.78 35.28 3fkf n ASN 30 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3fkf s ARG 31 N -5.98 0.78 0.15 1.20 0.52 -1.20 -4.89 118.95 109.52 3fkf s ARG 31 Ca 0.43 -1.15 -0.31 0.00 -0.52 0.00 0.00 55.73 54.18 3fkf s ARG 31 Cb -0.19 -0.35 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 3fkf s ARG 31 CO 0.60 0.03 1.33 0.71 0.02 0.00 0.00 175.30 178.00 3fkf s TYR 32 N -2.73 3.27 -0.17 -0.53 1.51 -0.12 -2.86 117.35 115.72 3fkf s TYR 32 Ca 0.05 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.23 3fkf s TYR 32 Cb -0.01 -3.62 0.04 0.00 -0.11 0.00 0.00 41.96 38.26 3fkf s TYR 32 CO -0.02 -2.03 -0.09 -1.17 -1.11 0.00 0.00 175.55 171.13 3fkf s LEU 33 N 0.54 1.88 -0.27 -1.29 2.96 -0.24 -0.71 118.68 121.55 3fkf s LEU 33 Ca 0.60 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 3fkf s LEU 33 Cb -0.36 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 3fkf s LEU 33 CO 0.34 -0.14 0.57 -0.22 -1.32 0.00 0.00 176.35 175.58 3fkf s LEU 34 N 1.51 4.08 -0.22 -0.68 2.96 -0.53 0.02 118.68 125.81 3fkf s LEU 34 Ca 0.01 0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 3fkf s LEU 34 Cb -0.15 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 3fkf s LEU 34 CO -0.09 -0.35 0.14 -0.76 -1.32 0.00 0.00 176.35 173.97 3fkf s LEU 35 N 2.43 4.07 -0.22 -0.68 1.43 -0.10 -0.46 118.68 125.16 3fkf s LEU 35 Ca 0.24 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3fkf s LEU 35 Cb -0.15 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.01 3fkf s LEU 35 CO 0.09 0.10 -0.12 0.54 0.23 0.00 0.00 176.35 177.19 3fkf s ASN 36 N 0.85 3.82 -0.09 2.29 4.22 -0.14 -1.29 114.94 124.60 3fkf s ASN 36 Ca 0.07 -0.77 -0.22 0.00 -2.14 0.00 0.00 52.86 49.80 3fkf s ASN 36 Cb -0.13 -1.58 -0.04 0.00 1.28 0.00 0.00 41.25 40.78 3fkf s ASN 36 CO 0.03 -0.06 0.65 -0.36 -2.04 0.00 0.00 177.10 175.31 3fkf s PHE 37 N 1.30 3.54 0.34 1.54 0.08 -0.06 -0.74 117.98 123.98 3fkf s PHE 37 Ca 0.02 1.14 -0.08 0.00 0.12 0.00 0.00 56.93 58.13 3fkf s PHE 37 Cb -0.15 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.58 3fkf s PHE 37 CO -0.08 0.08 0.60 -2.67 -0.10 0.00 0.00 175.22 173.05 3fkf n TRP 38 N 3.90 -1.88 -3.58 0.36 4.27 -0.70 -1.79 117.44 118.02 3fkf n TRP 38 Ca -0.02 -1.88 -0.16 0.00 -3.89 0.00 0.00 57.50 51.54 3fkf n TRP 38 Cb 0.51 0.70 -0.07 0.00 -1.36 0.00 0.00 31.31 31.09 3fkf n TRP 38 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3fkf s ALA 39 N -2.27 -1.61 0.55 -1.67 0.00 -1.26 -0.18 121.76 115.33 3fkf s ALA 39 Ca 0.19 1.34 0.23 0.00 0.00 0.00 0.00 51.96 53.72 3fkf s ALA 39 Cb -0.03 -0.28 1.53 0.00 0.00 0.00 0.00 23.12 24.34 3fkf s ALA 39 CO 0.14 -0.34 2.20 0.66 0.00 0.00 0.00 175.76 178.42 3fkf h SER 40 N 3.67 0.00 0.18 0.00 4.64 -1.92 -0.58 113.55 119.54 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 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3fkf h SER 40 CO 0.31 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.60 3fkf n TRP 41 N -4.20 0.00 1.08 4.77 4.27 -1.26 -1.64 117.44 120.45 3fkf n TRP 41 Ca -0.03 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.70 3fkf n TRP 41 Cb 0.09 -0.10 0.12 0.00 -1.36 0.00 0.00 31.31 30.06 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 -2.62 6.34 0.44 0.00 1.01 -0.65 -4.52 116.67 116.66 3fkf s ASP 43 Ca 0.18 1.81 -0.22 0.00 0.71 0.00 0.00 52.55 55.03 3fkf s ASP 43 Cb 0.18 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.48 3fkf s ASP 43 CO 0.62 -0.78 1.02 -2.16 0.21 0.00 0.00 175.17 174.07 3fkf s PRO 44 N -3.57 4.05 -0.46 8.23 0.04 -1.26 -5.11 135.00 136.91 3fkf s PRO 44 Ca 0.64 1.35 0.09 0.00 0.04 0.00 0.00 61.00 63.11 3fkf s PRO 44 Cb -0.14 -2.28 0.31 0.00 0.04 0.00 0.00 34.50 32.43 3fkf s PRO 44 CO 0.25 -0.22 0.73 1.04 0.04 0.00 0.00 177.00 178.85 3fkf n GLN 45 N -0.55 1.65 -0.09 4.56 1.13 -1.26 -5.00 117.38 117.82 3fkf n GLN 45 Ca 0.07 -3.87 -0.09 0.00 -1.94 0.00 0.00 57.00 51.17 3fkf n GLN 45 Cb 0.52 -1.79 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 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 3.39 0.40 -0.11 -1.09 0.13 -1.99 -1.14 132.00 131.60 3fkf h PRO 46 Ca 0.11 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3fkf h PRO 46 Cb 0.80 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3fkf h PRO 46 CO 0.61 0.30 0.03 1.05 -0.23 0.00 0.00 178.00 179.77 3fkf h GLU 47 N 0.38 0.17 -0.77 0.86 9.09 -1.99 -0.97 114.58 121.35 3fkf h GLU 47 Ca 0.11 -0.04 0.05 0.00 0.05 0.00 0.00 59.36 59.53 3fkf h GLU 47 Cb 0.00 -0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.03 3fkf h GLU 47 CO -0.02 0.32 0.47 0.00 0.05 0.00 0.00 179.01 179.83 3fkf h ALA 48 N 0.84 1.04 -0.01 1.06 0.00 -1.97 -2.41 119.26 117.81 3fkf h ALA 48 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3fkf h ALA 48 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fkf h ALA 48 CO -0.00 0.22 -0.66 -0.91 0.00 0.00 0.00 179.25 177.90 3fkf h ASN 49 N 0.89 0.06 -0.45 0.00 -0.26 -1.09 -2.43 115.58 112.29 3fkf h ASN 49 Ca 0.33 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 3fkf h ASN 49 Cb 0.11 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 3fkf h ASN 49 CO -0.15 0.70 0.08 0.00 -1.06 0.00 0.00 177.43 177.00 3fkf h ALA 50 N 1.30 0.60 -0.45 -0.83 0.00 -0.89 0.23 119.26 119.21 3fkf h ALA 50 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3fkf h ALA 50 Cb 1.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3fkf h ALA 50 CO 0.09 0.31 0.19 1.49 0.00 0.00 0.00 179.25 181.33 3fkf h GLU 51 N 0.60 0.66 -0.54 0.00 4.57 -1.40 -1.61 114.58 116.86 3fkf h GLU 51 Ca 0.14 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3fkf h GLU 51 Cb 0.37 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3fkf h GLU 51 CO 0.01 0.60 0.08 -0.07 -1.18 0.00 0.00 179.01 178.44 3fkf h LEU 52 N 0.58 0.87 -0.71 1.64 3.38 -1.26 -1.82 115.31 117.98 3fkf h LEU 52 Ca 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3fkf h LEU 52 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3fkf h LEU 52 CO -0.01 0.92 0.29 0.11 0.09 0.00 0.00 178.44 179.84 3fkf h LYS 53 N 0.79 1.06 -0.35 1.13 1.57 -0.77 -1.28 116.57 118.72 3fkf h LYS 53 Ca 0.16 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3fkf h LYS 53 Cb 0.42 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3fkf h LYS 53 CO 0.01 0.87 0.13 -0.09 -0.57 0.00 0.00 179.45 179.80 3fkf h ARG 54 N 1.02 0.28 -0.15 3.15 2.43 -1.16 -1.46 114.38 118.48 3fkf h ARG 54 Ca 0.24 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3fkf h ARG 54 Cb 0.20 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3fkf h ARG 54 CO -0.02 0.18 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.24 3fkf h LEU 55 N 0.28 0.30 -0.35 3.80 3.38 -1.12 -0.92 115.31 120.69 3fkf h LEU 55 Ca 0.16 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3fkf h LEU 55 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fkf h LEU 55 CO -0.15 0.61 -0.53 -1.13 0.09 0.00 0.00 178.44 177.32 3fkf h ASN 56 N 0.26 0.93 0.16 -0.43 -1.24 -0.79 -2.17 115.58 112.29 3fkf h ASN 56 Ca 0.03 -0.49 -0.01 0.00 0.71 0.00 0.00 56.30 56.55 3fkf h ASN 56 Cb 0.69 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.47 3fkf h ASN 56 CO 0.05 1.28 -0.08 0.11 -1.29 0.00 0.00 177.43 177.50 3fkf h LYS 57 N 0.65 -0.21 -0.98 6.67 1.57 -1.16 -2.68 116.57 120.42 3fkf h LYS 57 Ca 0.02 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 3fkf h LYS 57 Cb 1.13 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 3fkf h LYS 57 CO 0.12 0.20 0.62 1.49 -0.57 0.00 0.00 179.45 181.31 3fkf h GLU 58 N -0.73 0.84 -0.31 3.15 4.81 -1.19 -2.11 114.58 119.03 3fkf h GLU 58 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3fkf h GLU 58 Cb 0.51 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3fkf h GLU 58 CO 0.04 0.55 0.00 0.66 -0.73 0.00 0.00 179.01 179.53 3fkf n TYR 59 N -4.65 0.97 -0.32 0.92 4.01 -0.82 -4.67 117.16 112.60 3fkf n TYR 59 Ca 0.20 -0.79 0.18 0.00 -0.16 0.00 0.00 57.90 57.33 3fkf n TYR 59 Cb 0.45 -0.28 0.38 0.00 -0.31 0.00 0.00 39.34 39.58 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 2.10 0.34 -0.01 -0.72 3.64 -1.01 -0.86 116.57 120.05 3fkf h LYS 60 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3fkf h LYS 60 Cb 1.37 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3fkf h LYS 60 CO 0.21 0.22 -0.64 1.63 -2.27 0.00 0.00 179.45 178.60 3fkf n LYS 61 N -5.07 0.56 -2.39 1.90 5.02 -1.26 -4.89 118.16 112.03 3fkf n LYS 61 Ca 0.26 -0.44 -0.43 0.00 -2.02 0.00 0.00 58.31 55.69 3fkf n LYS 61 Cb 0.80 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 3fkf n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fkf s ASN 62 N -2.74 6.52 0.00 4.39 3.84 -0.33 -4.88 114.94 121.75 3fkf s ASN 62 Ca 0.14 1.04 0.17 0.00 0.21 0.00 0.00 52.86 54.42 3fkf s ASN 62 Cb 0.17 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 39.21 3fkf s ASN 62 CO 0.69 -1.24 1.52 0.29 -2.79 0.00 0.00 177.10 175.57 3fkf n LYS 63 N 7.66 0.24 -0.66 0.43 4.76 -1.26 -2.97 118.16 126.36 3fkf n LYS 63 Ca 0.15 0.12 0.09 0.00 -2.87 0.00 0.00 58.31 55.81 3fkf n LYS 63 Cb 0.47 -1.50 0.36 0.00 -1.84 0.00 0.00 35.03 32.52 3fkf n LYS 63 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3fkf n ASN 64 N -1.29 4.89 -3.83 4.39 4.05 -1.26 -4.88 115.26 117.33 3fkf n ASN 64 Ca 0.08 -2.62 -0.13 0.00 0.45 0.00 0.00 54.58 52.37 3fkf n ASN 64 Cb 0.14 -0.59 -0.14 0.00 1.23 0.00 0.00 39.78 40.42 3fkf n ASN 64 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3fkf s PHE 65 N -2.16 -0.06 0.00 1.20 5.36 -1.16 -0.95 117.98 120.22 3fkf s PHE 65 Ca 0.50 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 3fkf s PHE 65 Cb 0.35 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 3fkf s PHE 65 CO 0.20 -0.05 0.00 0.00 -1.46 0.00 0.00 175.22 173.92 3fkf n ALA 66 N 3.28 0.00 -3.44 11.12 0.00 0.12 -4.93 120.51 126.66 3fkf n ALA 66 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 3fkf n ALA 66 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 3fkf n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fkf s LEU 68 N 0.00 -0.21 -0.12 0.00 2.96 0.40 -1.45 118.68 120.26 3fkf s LEU 68 Ca 0.00 0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.96 3fkf s LEU 68 Cb 0.00 1.27 -0.02 0.00 0.50 0.00 0.00 46.19 47.93 3fkf s LEU 68 CO 0.00 -0.05 0.80 -0.83 -1.32 0.00 0.00 176.35 174.96 3fkf s GLY 69 N 1.68 2.36 -0.24 7.98 0.00 -0.06 -0.96 107.32 118.08 3fkf s GLY 69 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 3fkf s GLY 69 CO -0.14 1.51 -0.07 -0.42 0.00 0.00 0.00 173.10 173.98 3fkf s ILE 70 N 1.59 2.83 0.00 0.90 1.01 0.08 -1.01 121.20 126.61 3fkf s ILE 70 Ca 0.39 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3fkf s ILE 70 Cb -0.17 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3fkf s ILE 70 CO 0.16 0.22 0.27 -0.55 0.00 0.00 0.00 174.94 175.04 3fkf s SER 71 N 1.32 6.50 -0.30 3.58 0.15 -0.39 -1.71 113.70 122.85 3fkf s SER 71 Ca 0.00 0.56 0.10 0.00 0.70 0.00 0.00 55.95 57.31 3fkf s SER 71 Cb -0.16 -2.09 0.73 0.00 -1.71 0.00 0.00 66.02 62.78 3fkf s SER 71 CO -0.05 0.26 1.75 0.18 1.20 0.00 0.00 173.24 176.58 3fkf n LEU 72 N 1.15 5.88 -4.69 3.45 4.77 0.75 -4.55 117.00 123.76 3fkf n LEU 72 Ca -0.11 -3.04 -0.34 0.00 -0.03 0.00 0.00 56.01 52.48 3fkf n LEU 72 Cb 0.53 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3fkf n LEU 72 CO 0.41 0.75 0.75 0.47 -1.33 0.00 0.00 177.39 178.44 3fkf n ASP 73 N 0.01 1.05 -0.04 -1.43 8.00 -1.26 -3.71 116.55 119.16 3fkf n ASP 73 Ca 0.37 0.61 0.02 0.00 0.71 0.00 0.00 54.79 56.50 3fkf n ASP 73 Cb 1.32 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 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 -3.13 0.00 -4.03 0.53 -5.35 -1.26 -3.56 119.36 102.56 3fkf n ILE 74 Ca 0.14 -0.45 -0.26 0.00 -0.27 0.00 0.00 62.75 61.91 3fkf n ILE 74 Cb 0.50 1.02 -0.17 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.99 1.96 0.26 7.28 2.15 -1.26 -4.86 116.67 121.21 3fkf s ASP 75 Ca 0.02 -0.27 0.05 0.00 0.43 0.00 0.00 52.55 52.79 3fkf s ASP 75 Cb 0.02 -0.77 0.35 0.00 -0.30 0.00 0.00 42.92 42.22 3fkf s ASP 75 CO 0.10 -0.10 1.63 -0.09 -0.17 0.00 0.00 175.17 176.54 3fkf h ARG 76 N 7.91 0.25 -0.21 4.34 2.43 -1.99 -1.65 114.38 125.46 3fkf h ARG 76 Ca -0.30 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3fkf h ARG 76 Cb 1.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3fkf h ARG 76 CO 0.41 0.70 0.11 1.49 -1.51 0.00 0.00 179.97 181.17 3fkf h GLU 77 N 0.19 0.30 -0.36 0.20 4.57 -1.99 -0.00 114.58 117.49 3fkf h GLU 77 Ca 0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3fkf h GLU 77 Cb 0.96 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3fkf h GLU 77 CO 0.08 0.29 0.21 0.00 -1.18 0.00 0.00 179.01 178.40 3fkf h ALA 78 N 0.99 0.46 0.20 2.92 0.00 -1.88 -1.28 119.26 120.68 3fkf h ALA 78 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fkf h ALA 78 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3fkf h ALA 78 CO -0.01 -0.03 -0.35 2.35 0.00 0.00 0.00 179.25 181.21 3fkf h TRP 79 N 0.46 -0.97 -0.94 0.00 7.01 -1.19 -1.09 115.95 119.23 3fkf h TRP 79 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3fkf h TRP 79 Cb 0.04 0.40 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 3fkf h TRP 79 CO -0.03 -0.47 0.56 0.93 -2.79 0.00 0.00 178.44 176.63 3fkf h GLU 80 N -0.64 1.29 -0.71 2.65 4.39 -0.95 -1.22 114.58 119.39 3fkf h GLU 80 Ca 0.01 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3fkf h GLU 80 Cb 0.63 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 3fkf h GLU 80 CO -0.16 0.91 0.43 1.15 -1.16 0.00 0.00 179.01 180.18 3fkf h THR 81 N 1.31 1.20 -0.32 1.13 2.02 -0.89 -0.89 112.91 116.47 3fkf h THR 81 Ca 0.34 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3fkf h THR 81 Cb -0.04 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3fkf h THR 81 CO -0.06 0.21 -0.29 0.00 0.37 0.00 0.00 175.52 175.75 3fkf h ALA 82 N 1.23 0.90 -0.61 6.16 0.00 -0.68 0.14 119.26 126.40 3fkf h ALA 82 Ca 0.26 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fkf h ALA 82 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3fkf h ALA 82 CO -0.05 0.62 0.35 0.82 0.00 0.00 0.00 179.25 181.00 3fkf h ILE 83 N 0.57 1.02 0.06 0.00 2.04 -0.74 -0.97 117.51 119.50 3fkf h ILE 83 Ca 0.07 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3fkf h ILE 83 Cb 0.78 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3fkf h ILE 83 CO 0.06 0.12 -0.03 0.11 0.00 0.00 0.00 178.15 178.42 3fkf h LYS 84 N 0.68 -0.08 -0.54 2.37 1.79 -0.97 -0.71 116.57 119.11 3fkf h LYS 84 Ca 0.26 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.79 3fkf h LYS 84 Cb 0.09 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 3fkf h LYS 84 CO -0.13 0.49 0.36 -0.22 -1.08 0.00 0.00 179.45 178.86 3fkf h LYS 85 N -0.74 0.48 -0.32 3.15 3.64 -0.98 -2.79 116.57 119.01 3fkf h LYS 85 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fkf h LYS 85 Cb 0.60 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3fkf h LYS 85 CO 0.01 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.26 3fkf n ASP 86 N -4.47 3.23 -3.89 4.20 8.00 -0.37 -4.98 116.55 118.26 3fkf n ASP 86 Ca 0.07 -1.94 -0.25 0.00 0.71 0.00 0.00 54.79 53.39 3fkf n ASP 86 Cb 0.24 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.30 -3.30 -2.22 -3.53 -1.04 -0.63 -4.86 114.28 100.01 3fkf n THR 87 Ca 0.17 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 61.33 3fkf n THR 87 Cb 0.56 -2.94 -0.01 0.00 -1.82 0.00 0.00 70.33 66.11 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 -4.38 4.98 0.11 -4.42 4.32 -0.37 -4.81 117.00 112.43 3fkf n LEU 88 Ca -0.27 -3.77 0.13 0.00 -0.02 0.00 0.00 56.01 52.08 3fkf n LEU 88 Cb 0.66 -1.69 0.35 0.00 -1.62 0.00 0.00 43.42 41.12 3fkf n LEU 88 CO 0.74 -0.01 0.80 0.77 -1.22 0.00 0.00 177.39 178.46 3fkf h SER 89 N 7.61 0.00 -3.89 -1.43 4.64 -1.89 -3.46 113.55 115.14 3fkf h SER 89 Ca 0.44 -0.03 -0.44 0.00 -0.47 0.00 0.00 61.79 61.29 3fkf h SER 89 Cb 0.82 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.08 3fkf h SER 89 CO 1.55 0.01 0.30 -1.66 -0.87 0.00 0.00 176.83 176.16 3fkf s TRP 90 N -3.12 1.37 0.34 4.77 -2.14 -1.26 -4.95 118.94 113.95 3fkf s TRP 90 Ca 0.10 0.48 -0.28 0.00 2.66 0.00 0.00 56.10 59.05 3fkf s TRP 90 Cb 0.12 -3.75 -0.12 0.00 -3.10 0.00 0.00 33.47 26.62 3fkf s TRP 90 CO 0.62 -3.03 1.36 -0.25 -2.66 0.00 0.00 176.95 172.99 3fkf n ASP 91 N -4.12 3.06 -3.90 -2.66 8.00 -1.26 -4.86 116.55 110.82 3fkf n ASP 91 Ca 0.13 1.21 -0.20 0.00 0.71 0.00 0.00 54.79 56.64 3fkf n ASP 91 Cb 0.59 -1.52 -0.16 0.00 -0.02 0.00 0.00 41.12 40.01 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 -1.82 0.84 0.15 -1.24 -1.52 -1.26 -0.89 119.66 113.93 3fkf s GLN 92 Ca 0.56 -0.11 0.04 0.00 -1.95 0.00 0.00 55.36 53.89 3fkf s GLN 92 Cb -0.55 -0.84 -0.04 0.00 -0.22 0.00 0.00 33.01 31.36 3fkf s GLN 92 CO 0.62 -0.07 -0.09 0.14 -0.25 0.00 0.00 175.29 175.63 3fkf s VAL 93 N 0.89 1.11 -0.29 1.09 -7.23 -0.18 -3.27 120.40 112.52 3fkf s VAL 93 Ca -0.12 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.82 3fkf s VAL 93 Cb -0.14 -1.87 0.16 0.00 0.56 0.00 0.00 36.38 35.09 3fkf s VAL 93 CO 0.00 -0.73 1.09 0.00 -0.31 0.00 0.00 175.10 175.16 3fkf n ASP 95 N 3.02 2.99 -3.62 0.00 5.75 -1.26 -4.35 116.55 119.07 3fkf n ASP 95 Ca -0.16 -1.95 -0.24 0.00 -0.01 0.00 0.00 54.79 52.43 3fkf n ASP 95 Cb 0.57 -0.24 0.08 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.72 -2.87 0.26 2.11 3.72 -1.25 -4.92 117.46 115.24 3fkf n PHE 96 Ca 0.13 1.01 0.11 0.00 -0.05 0.00 0.00 57.45 58.65 3fkf n PHE 96 Cb 0.45 -4.99 -0.15 0.00 -0.94 0.00 0.00 39.48 33.84 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 -5.00 0.01 -4.15 4.37 -2.24 -1.25 -4.65 114.28 101.36 3fkf n THR 97 Ca 0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fkf n THR 97 Cb 0.56 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.32 -0.67 0.58 3.38 0.00 -1.23 -3.41 105.19 105.16 3fkf n GLY 98 Ca -0.02 -1.14 0.40 0.00 0.00 0.00 0.00 46.02 45.26 3fkf n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fkf h LEU 99 N 0.00 0.00 0.00 0.99 4.07 -1.94 0.10 115.31 118.54 3fkf h LEU 99 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3fkf h LEU 99 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3fkf h LEU 99 CO 0.00 -0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 3fkf n SER 100 N -4.12 0.00 -4.68 -0.43 7.64 -1.22 -4.93 113.62 105.89 3fkf n SER 100 Ca 0.30 -1.85 -0.46 0.00 1.01 0.00 0.00 58.87 57.87 3fkf n SER 100 Cb 1.45 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.61 3fkf n SER 100 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fkf n SER 101 N -0.57 3.46 -0.30 6.43 2.88 0.02 -4.87 113.62 120.66 3fkf n SER 101 Ca 0.03 1.01 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 3fkf n SER 101 Cb 0.02 -1.43 0.26 0.00 -0.75 0.00 0.00 64.21 62.30 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 7.93 0.95 -0.23 -1.46 4.57 -1.91 -2.03 114.58 122.41 3fkf h GLU 102 Ca -0.47 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.61 3fkf h GLU 102 Cb 1.25 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3fkf h GLU 102 CO 0.93 0.63 -0.02 1.15 -1.18 0.00 0.00 179.01 180.51 3fkf h THR 103 N 0.98 1.27 -0.64 0.32 2.02 -1.97 0.16 112.91 115.04 3fkf h THR 103 Ca 0.41 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3fkf h THR 103 Cb 0.30 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3fkf h THR 103 CO -0.17 0.30 0.39 0.00 0.37 0.00 0.00 175.52 176.41 3fkf h ALA 104 N 0.78 0.84 0.28 6.16 0.00 -1.92 -0.93 119.26 124.46 3fkf h ALA 104 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fkf h ALA 104 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fkf h ALA 104 CO 0.02 0.14 -0.13 -0.22 0.00 0.00 0.00 179.25 179.05 3fkf h LYS 105 N 0.77 -0.36 -0.16 0.00 1.63 -1.11 0.27 116.57 117.61 3fkf h LYS 105 Ca 0.26 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 3fkf h LYS 105 Cb 0.04 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3fkf h LYS 105 CO -0.11 -0.18 0.06 1.96 -3.45 0.00 0.00 179.45 177.72 3fkf h GLN 106 N -0.45 0.21 -0.03 1.90 4.20 -0.62 -0.16 115.11 120.16 3fkf h GLN 106 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3fkf h GLN 106 Cb 0.34 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3fkf h GLN 106 CO 0.06 0.19 0.00 0.66 -0.67 0.00 0.00 178.83 179.07 3fkf n TYR 107 N -4.46 0.03 -3.80 2.96 4.02 -0.36 -4.80 117.16 110.75 3fkf n TYR 107 Ca -0.01 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.90 57.61 3fkf n TYR 107 Cb 0.12 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.67 -2.71 -0.72 0.00 -0.07 -4.94 120.51 109.89 3fkf n ALA 108 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 3fkf n ALA 108 Cb 0.18 -3.14 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 -3.51 4.93 -0.14 0.00 -1.09 0.01 -4.93 121.20 116.47 3fkf s ILE 109 Ca 0.31 1.84 0.06 0.00 -2.23 0.00 0.00 60.65 60.63 3fkf s ILE 109 Cb -0.15 -4.22 -0.13 0.00 -1.58 0.00 0.00 42.46 36.37 3fkf s ILE 109 CO 0.82 0.18 -0.05 0.18 -1.23 0.00 0.00 174.94 174.85 3fkf n LEU 110 N 3.92 1.43 -4.30 2.97 4.77 -1.26 -4.79 117.00 119.75 3fkf n LEU 110 Ca 0.04 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 3fkf n LEU 110 Cb 0.51 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3fkf n LEU 110 CO 0.50 0.53 -0.23 0.42 -1.33 0.00 0.00 177.39 177.29 3fkf s THR 111 N -2.32 0.35 0.06 -5.08 -4.23 -1.26 -5.17 115.64 98.00 3fkf s THR 111 Ca -0.14 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 3fkf s THR 111 Cb 0.05 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3fkf s THR 111 CO 0.45 0.00 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.55 3fkf s LEU 112 N -3.30 2.21 0.49 4.79 1.43 -1.26 -4.17 118.68 118.87 3fkf s LEU 112 Ca 0.37 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 3fkf s LEU 112 Cb 0.07 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 3fkf s LEU 112 CO 0.15 0.16 0.92 -2.16 0.23 0.00 0.00 176.35 175.64 3fkf s PRO 113 N -1.43 3.83 -0.08 1.29 0.04 -1.26 -5.08 135.00 132.32 3fkf s PRO 113 Ca 0.09 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 61.83 3fkf s PRO 113 Cb -0.09 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3fkf s PRO 113 CO 0.03 -0.24 0.16 0.99 0.04 0.00 0.00 177.00 177.98 3fkf s THR 114 N -2.63 -0.14 -0.09 1.26 2.01 -0.74 -4.99 115.64 110.33 3fkf s THR 114 Ca 0.55 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.67 3fkf s THR 114 Cb -0.10 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 3fkf s THR 114 CO 0.35 0.10 0.32 0.20 -0.69 0.00 0.00 174.62 174.90 3fkf s ASN 115 N 1.63 6.59 -0.13 3.53 0.02 -1.26 -0.89 114.94 124.42 3fkf s ASN 115 Ca -0.04 0.70 0.01 0.00 -1.02 0.00 0.00 52.86 52.51 3fkf s ASN 115 Cb -0.12 -2.19 0.02 0.00 0.02 0.00 0.00 41.25 38.98 3fkf s ASN 115 CO -0.06 0.24 -0.16 -0.63 0.02 0.00 0.00 177.10 176.51 3fkf s ILE 116 N -0.43 1.67 -0.23 0.60 -1.09 -0.41 -0.08 121.20 121.23 3fkf s ILE 116 Ca 0.20 -0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 3fkf s ILE 116 Cb -0.14 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.17 3fkf s ILE 116 CO 0.08 0.47 0.22 -0.22 -1.23 0.00 0.00 174.94 174.27 3fkf s LEU 117 N 1.16 4.13 0.03 2.97 2.96 -0.18 -0.92 118.68 128.83 3fkf s LEU 117 Ca -0.02 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3fkf s LEU 117 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3fkf s LEU 117 CO -0.06 0.03 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.23 3fkf s LEU 118 N 1.09 3.40 0.61 -0.68 1.43 0.10 -0.36 118.68 124.27 3fkf s LEU 118 Ca 0.11 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3fkf s LEU 118 Cb -0.14 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3fkf s LEU 118 CO 0.05 0.25 0.92 -0.94 0.23 0.00 0.00 176.35 176.86 3fkf s SER 119 N -1.78 5.55 0.65 2.29 1.04 0.99 -1.08 113.70 121.37 3fkf s SER 119 Ca 0.21 0.74 0.32 0.00 0.48 0.00 0.00 55.95 57.70 3fkf s SER 119 Cb -0.11 -1.70 1.76 0.00 0.10 0.00 0.00 66.02 66.06 3fkf s SER 119 CO 0.12 -1.11 2.01 -0.65 0.98 0.00 0.00 173.24 174.59 3fkf h PRO 120 N -0.24 0.00 -0.66 4.02 0.11 -1.86 0.37 132.00 133.75 3fkf h PRO 120 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fkf h PRO 120 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fkf h PRO 120 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3fkf n THR 121 N -3.07 1.50 -0.63 -1.15 -2.24 -1.26 -3.92 114.28 103.51 3fkf n THR 121 Ca -0.01 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 3fkf n THR 121 Cb 0.35 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.25 0.64 3.83 3.38 0.00 0.13 -4.96 105.19 109.45 3fkf n GLY 122 Ca 0.25 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3fkf n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fkf s LYS 123 N -0.93 4.02 -0.17 1.61 -0.14 -1.25 -0.44 119.74 122.44 3fkf s LYS 123 Ca 0.00 0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 54.85 3fkf s LYS 123 Cb 0.00 -3.17 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 3fkf s LYS 123 CO 0.00 0.63 1.30 0.42 -0.76 0.00 0.00 175.35 176.94 3fkf s ILE 124 N -1.17 4.20 -0.10 2.17 1.01 -0.59 -0.01 121.20 126.71 3fkf s ILE 124 Ca 0.28 1.45 0.19 0.00 0.00 0.00 0.00 60.65 62.57 3fkf s ILE 124 Cb -0.17 -3.96 -0.28 0.00 0.01 0.00 0.00 42.46 38.05 3fkf s ILE 124 CO 0.17 -0.16 0.28 0.18 0.00 0.00 0.00 174.94 175.40 3fkf n LEU 125 N 6.77 0.00 -3.61 2.97 4.77 0.51 0.88 117.00 129.29 3fkf n LEU 125 Ca 0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 3fkf n LEU 125 Cb 0.45 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 3fkf n LEU 125 CO 0.57 0.22 0.46 0.00 -1.33 0.00 0.00 177.39 177.30 3fkf s ALA 126 N -3.00 -1.80 -0.04 -1.18 0.00 -1.14 -4.89 121.76 109.72 3fkf s ALA 126 Ca -0.08 1.86 0.05 0.00 0.00 0.00 0.00 51.96 53.79 3fkf s ALA 126 Cb 0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3fkf s ALA 126 CO 0.83 -0.34 -0.20 1.03 0.00 0.00 0.00 175.76 177.08 3fkf s ARG 127 N 0.01 1.97 -1.47 0.00 0.52 -1.26 -1.01 118.95 117.71 3fkf s ARG 127 Ca -0.02 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 3fkf s ARG 127 Cb -0.04 -1.74 0.05 0.00 0.52 0.00 0.00 34.95 33.75 3fkf s ARG 127 CO 0.02 0.33 0.77 -3.47 0.02 0.00 0.00 175.30 172.97 3fkf n ASP 128 N 2.95 -2.69 -4.80 0.23 2.03 0.88 -4.96 116.55 110.19 3fkf n ASP 128 Ca -0.17 -0.87 -0.38 0.00 0.52 0.00 0.00 54.79 53.90 3fkf n ASP 128 Cb 0.53 -3.63 -0.06 0.00 -0.72 0.00 0.00 41.12 37.24 3fkf n ASP 128 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3fkf s ILE 129 N -3.53 5.16 0.32 5.18 2.07 -1.16 -4.87 121.20 124.36 3fkf s ILE 129 Ca 0.36 0.75 -0.19 0.00 -1.41 0.00 0.00 60.65 60.15 3fkf s ILE 129 Cb -0.18 -3.69 0.04 0.00 0.13 0.00 0.00 42.46 38.76 3fkf s ILE 129 CO 0.85 0.50 0.78 0.00 -1.91 0.00 0.00 174.94 175.16 3fkf s GLN 130 N -0.43 1.93 5.69 3.50 -2.07 -1.26 -4.40 119.66 122.62 3fkf s GLN 130 Ca 0.22 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 3fkf s GLN 130 Cb -0.15 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 3fkf s GLN 130 CO 0.10 -0.90 0.00 0.41 -1.32 0.00 0.00 175.29 173.58 3fkf n GLY 131 N -0.50 2.84 0.16 2.60 0.00 -1.26 -2.20 105.19 106.83 3fkf n GLY 131 Ca -0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.45 -1.03 1.61 5.08 -2.00 -2.19 114.58 116.50 3fkf h GLU 132 Ca 0.00 -0.17 0.26 0.00 -1.00 0.00 0.00 59.36 58.45 3fkf h GLU 132 Cb 0.00 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.12 3fkf h GLU 132 CO 0.00 0.69 0.64 0.00 -1.00 0.00 0.00 179.01 179.34 3fkf h ALA 133 N 0.75 2.06 -0.01 3.43 0.00 -1.97 0.51 119.26 124.02 3fkf h ALA 133 Ca 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fkf h ALA 133 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fkf h ALA 133 CO 0.02 -0.50 -0.10 1.25 0.00 0.00 0.00 179.25 179.93 3fkf h LEU 134 N 0.47 0.11 -0.21 0.00 5.85 -0.95 -1.37 115.31 119.20 3fkf h LEU 134 Ca 0.62 -0.69 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3fkf h LEU 134 Cb 1.42 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3fkf h LEU 134 CO -0.38 0.78 -0.06 0.74 -0.34 0.00 0.00 178.44 179.18 3fkf h THR 135 N -0.56 0.76 -0.36 1.05 2.02 -0.73 -1.13 112.91 113.96 3fkf h THR 135 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3fkf h THR 135 Cb 0.78 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 3fkf h THR 135 CO 0.02 0.00 -0.23 1.23 0.37 0.00 0.00 175.52 176.91 3fkf h GLY 136 N -0.02 -0.03 1.24 2.16 0.00 -0.09 -1.40 103.07 104.93 3fkf h GLY 136 Ca 0.10 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 3fkf h GLY 136 CO -0.22 -0.20 0.18 1.70 0.00 0.00 0.00 176.54 177.99 3fkf h LYS 137 N -0.18 0.96 0.00 4.80 1.63 -0.79 -2.04 116.57 120.95 3fkf h LYS 137 Ca 0.18 -0.19 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 3fkf h LYS 137 Cb 0.46 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3fkf h LYS 137 CO -0.47 0.83 -0.70 -0.07 -3.45 0.00 0.00 179.45 175.59 3fkf h LEU 138 N 0.92 0.00 0.20 5.20 3.38 -0.88 -1.48 115.31 122.66 3fkf h LEU 138 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3fkf h LEU 138 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fkf h LEU 138 CO -0.01 0.70 -0.10 0.50 0.09 0.00 0.00 178.44 179.63 3fkf h LYS 139 N 0.00 -0.26 -0.23 1.13 3.64 -0.73 0.17 116.57 120.29 3fkf h LYS 139 Ca -0.01 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3fkf h LYS 139 Cb 1.28 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 3fkf h LYS 139 CO 0.09 -0.00 -0.11 1.49 -2.27 0.00 0.00 179.45 178.65 3fkf h GLU 140 N -0.50 -0.08 0.00 1.90 4.81 -1.34 -3.09 114.58 116.28 3fkf h GLU 140 Ca -0.03 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 3fkf h GLU 140 Cb 0.38 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3fkf h GLU 140 CO 0.05 -0.05 -0.58 -0.07 -0.73 0.00 0.00 179.01 177.63 3fkf h LEU 141 N -0.09 0.00 -1.92 1.64 3.38 -1.13 -3.52 115.31 113.68 3fkf h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fkf h LEU 141 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fkf h LEU 141 CO -0.28 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.00