#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkf n VAL 4 N 0.00 0.32 0.00 2.28 0.31 -1.26 -1.62 118.33 118.35 3fkf n VAL 4 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3fkf n VAL 4 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 5.56 2.08 3.89 2.92 0.00 -0.09 -5.00 105.19 114.56 3fkf n GLY 5 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 2.77 0.35 1.61 -0.14 -0.64 -4.70 119.74 118.79 3fkf s LYS 6 Ca 0.00 0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 54.73 3fkf s LYS 6 Cb 0.00 -2.04 -0.09 0.00 -1.68 0.00 0.00 37.83 34.02 3fkf s LYS 6 CO 0.00 -1.06 1.04 -1.12 -0.76 0.00 0.00 175.35 173.45 3fkf s SER 7 N -4.38 7.00 0.07 2.83 0.01 -1.26 -1.46 113.70 116.52 3fkf s SER 7 Ca 0.58 2.05 -0.31 0.00 1.31 0.00 0.00 55.95 59.59 3fkf s SER 7 Cb -0.11 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 3fkf s SER 7 CO 0.51 -0.32 1.22 0.00 0.41 0.00 0.00 173.24 175.06 3fkf s ALA 8 N -1.52 3.41 0.50 1.44 0.00 0.12 -4.87 121.76 120.84 3fkf s ALA 8 Ca 0.53 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 3fkf s ALA 8 Cb -0.24 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 3fkf s ALA 8 CO 0.30 -0.45 1.15 -2.30 0.00 0.00 0.00 175.76 174.46 3fkf n PRO 9 N 3.90 1.45 -1.72 0.00 -0.02 -1.26 -4.97 135.00 132.38 3fkf n PRO 9 Ca 0.09 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 3fkf n PRO 9 Cb 0.46 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.90 2.37 -3.97 6.00 9.36 -1.26 -5.03 117.16 123.73 3fkf n TYR 10 Ca 0.10 0.48 -0.09 0.00 3.32 0.00 0.00 57.90 61.71 3fkf n TYR 10 Cb 0.43 -2.42 -0.10 0.00 -0.63 0.00 0.00 39.34 36.62 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 -1.18 0.26 -0.23 2.98 -0.12 -1.26 -5.04 117.98 113.39 3fkf s PHE 11 Ca 0.60 -0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 56.88 3fkf s PHE 11 Cb -0.49 -0.19 0.09 0.00 -0.63 0.00 0.00 43.02 41.79 3fkf s PHE 11 CO 0.59 -0.28 0.17 0.45 -0.05 0.00 0.00 175.22 176.10 3fkf s SER 12 N -1.85 2.26 0.01 1.98 0.15 -1.25 -4.15 113.70 110.84 3fkf s SER 12 Ca -0.09 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 55.92 3fkf s SER 12 Cb -0.05 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 3fkf s SER 12 CO -0.03 -0.37 -0.13 -0.76 1.20 0.00 0.00 173.24 173.15 3fkf s LEU 13 N 2.22 2.07 0.27 3.45 1.43 -0.51 -4.81 118.68 122.79 3fkf s LEU 13 Ca 0.06 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 3fkf s LEU 13 Cb -0.16 -0.64 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 3fkf s LEU 13 CO -0.20 0.12 0.97 -2.16 0.23 0.00 0.00 176.35 175.31 3fkf s PRO 14 N -0.57 4.73 0.02 1.29 0.04 -1.26 -0.42 135.00 138.83 3fkf s PRO 14 Ca 0.04 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 3fkf s PRO 14 Cb -0.06 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3fkf s PRO 14 CO 0.00 0.39 0.02 0.27 0.04 0.00 0.00 177.00 177.72 3fkf n ASN 15 N 1.15 0.02 -0.16 6.66 0.23 -0.31 -1.69 115.26 121.16 3fkf n ASN 15 Ca -0.01 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 3fkf n ASN 15 Cb 0.48 -0.02 0.26 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.88 0.00 -3.83 5.08 -1.88 -1.17 114.58 113.66 3fkf h GLU 16 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3fkf h GLU 16 Cb 0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3fkf h GLU 16 CO 0.01 0.63 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 3fkf n LYS 17 N -4.39 0.01 -0.06 2.33 5.02 -1.26 -4.92 118.16 114.89 3fkf n LYS 17 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3fkf n LYS 17 Cb 0.09 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.35 0.74 3.80 0.72 0.00 -0.44 -5.08 105.19 106.28 3fkf n GLY 18 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.94 4.07 0.18 1.61 2.12 -1.26 -4.63 118.70 119.85 3fkf s GLU 19 Ca 0.00 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.48 3fkf s GLU 19 Cb 0.00 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 3fkf s GLU 19 CO 0.00 0.54 1.05 0.15 -0.54 0.00 0.00 175.26 176.46 3fkf s LYS 20 N -0.61 4.65 -0.00 4.30 1.02 -1.26 -1.16 119.74 126.68 3fkf s LYS 20 Ca 0.25 1.64 0.07 0.00 0.02 0.00 0.00 55.97 57.95 3fkf s LYS 20 Cb -0.17 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 3fkf s LYS 20 CO 0.13 0.17 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.00 3fkf s LEU 21 N -0.47 2.31 0.28 3.17 1.43 0.44 -4.86 118.68 120.98 3fkf s LEU 21 Ca 0.47 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3fkf s LEU 21 Cb -0.28 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3fkf s LEU 21 CO 0.34 0.30 0.09 -0.44 0.23 0.00 0.00 176.35 176.87 3fkf s SER 22 N -0.92 1.52 0.40 2.29 0.01 -1.26 -1.43 113.70 114.31 3fkf s SER 22 Ca 0.11 -1.39 0.08 0.00 1.31 0.00 0.00 55.95 56.07 3fkf s SER 22 Cb -0.10 0.11 0.84 0.00 0.21 0.00 0.00 66.02 67.08 3fkf s SER 22 CO 0.01 -0.71 1.99 -0.09 0.41 0.00 0.00 173.24 174.86 3fkf h ARG 23 N 2.30 0.38 0.00 12.44 2.43 -1.97 -2.05 114.38 127.92 3fkf h ARG 23 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3fkf h ARG 23 Cb 1.25 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3fkf h ARG 23 CO 0.63 0.36 0.00 -1.13 -1.51 0.00 0.00 179.97 178.32 3fkf n SER 24 N -4.39 0.00 -4.76 -3.80 3.41 -1.26 -2.65 113.62 100.18 3fkf n SER 24 Ca 0.01 -0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 57.72 3fkf n SER 24 Cb 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 2.53 0.24 7.33 0.00 -0.77 -4.71 121.76 124.37 3fkf s ALA 25 Ca 0.17 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 3fkf s ALA 25 Cb 0.08 -3.41 0.37 0.00 0.00 0.00 0.00 23.12 20.16 3fkf s ALA 25 CO 0.13 -1.16 1.80 0.93 0.00 0.00 0.00 175.76 177.46 3fkf h GLU 26 N 0.71 0.69 0.00 0.00 4.39 -1.90 0.29 114.58 118.77 3fkf h GLU 26 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3fkf h GLU 26 Cb 1.28 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3fkf h GLU 26 CO 0.55 0.46 0.00 2.89 -1.16 0.00 0.00 179.01 181.75 3fkf n ARG 27 N -4.79 0.09 -0.02 2.33 1.85 -1.26 -3.72 116.66 111.14 3fkf n ARG 27 Ca 0.12 0.36 -0.02 0.00 -1.00 0.00 0.00 57.85 57.32 3fkf n ARG 27 Cb 0.27 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 3fkf n ARG 27 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fkf n PHE 28 N -1.86 0.00 -2.10 2.89 3.72 -0.45 -4.87 117.46 114.78 3fkf n PHE 28 Ca 0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 3fkf n PHE 28 Cb 0.18 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.20 3.12 -1.41 -1.08 1.70 -0.04 -3.23 118.95 115.82 3fkf s ARG 29 Ca -0.03 1.69 -0.02 0.00 -0.47 0.00 0.00 55.73 56.91 3fkf s ARG 29 Cb 0.02 -1.96 0.01 0.00 -0.57 0.00 0.00 34.95 32.45 3fkf s ARG 29 CO 0.25 -1.05 0.51 -1.71 -1.08 0.00 0.00 175.30 172.22 3fkf n ASN 30 N -1.54 -0.79 -3.95 -2.89 5.15 -1.26 -4.99 115.26 105.00 3fkf n ASN 30 Ca 0.12 -0.96 -0.08 0.00 -0.60 0.00 0.00 54.58 53.06 3fkf n ASN 30 Cb 0.50 -3.27 -0.09 0.00 -0.53 0.00 0.00 39.78 36.39 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 -6.46 0.68 0.18 1.20 0.52 -1.20 -4.91 118.95 108.97 3fkf s ARG 31 Ca 0.06 -0.97 -0.31 0.00 -0.52 0.00 0.00 55.73 54.00 3fkf s ARG 31 Cb -0.03 0.26 -0.10 0.00 0.52 0.00 0.00 34.95 35.60 3fkf s ARG 31 CO 0.87 -0.18 1.50 0.71 0.02 0.00 0.00 175.30 178.22 3fkf s TYR 32 N -3.43 3.08 -0.13 -0.53 2.02 -0.15 -3.44 117.35 114.78 3fkf s TYR 32 Ca 0.02 0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 57.52 3fkf s TYR 32 Cb 0.04 -3.85 0.03 0.00 -0.40 0.00 0.00 41.96 37.78 3fkf s TYR 32 CO -0.08 -3.00 -0.05 -1.17 -1.57 0.00 0.00 175.55 169.68 3fkf s LEU 33 N 0.65 1.19 -0.38 -1.29 2.96 -0.62 -0.66 118.68 120.52 3fkf s LEU 33 Ca 0.66 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.97 3fkf s LEU 33 Cb -0.42 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.51 3fkf s LEU 33 CO 0.35 -0.17 0.56 -0.22 -1.32 0.00 0.00 176.35 175.55 3fkf s LEU 34 N 1.75 4.42 -0.18 -0.68 2.96 -0.49 0.44 118.68 126.91 3fkf s LEU 34 Ca 0.03 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 3fkf s LEU 34 Cb -0.14 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 3fkf s LEU 34 CO -0.07 -0.59 0.33 -0.76 -1.32 0.00 0.00 176.35 173.94 3fkf s LEU 35 N 2.53 4.21 -0.23 -0.68 1.43 0.43 -1.13 118.68 125.24 3fkf s LEU 35 Ca 0.20 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3fkf s LEU 35 Cb -0.15 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3fkf s LEU 35 CO 0.15 0.04 -0.04 0.54 0.23 0.00 0.00 176.35 177.27 3fkf s ASN 36 N 0.69 4.37 -0.06 2.29 4.22 0.54 -1.13 114.94 125.86 3fkf s ASN 36 Ca 0.17 -0.50 -0.20 0.00 -2.14 0.00 0.00 52.86 50.19 3fkf s ASN 36 Cb -0.14 -1.74 -0.05 0.00 1.28 0.00 0.00 41.25 40.61 3fkf s ASN 36 CO 0.05 -0.05 0.57 -0.36 -2.04 0.00 0.00 177.10 175.27 3fkf s PHE 37 N 1.46 3.60 0.31 1.54 0.08 0.29 -0.62 117.98 124.65 3fkf s PHE 37 Ca 0.05 1.10 -0.15 0.00 0.12 0.00 0.00 56.93 58.05 3fkf s PHE 37 Cb -0.15 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 3fkf s PHE 37 CO -0.03 0.25 0.65 1.67 -0.10 0.00 0.00 175.22 177.65 3fkf s TRP 38 N 0.25 0.22 -0.04 0.36 1.48 -0.75 -1.38 118.94 119.09 3fkf s TRP 38 Ca 0.30 -0.69 -0.24 0.00 -1.06 0.00 0.00 56.10 54.41 3fkf s TRP 38 Cb -0.17 0.51 0.05 0.00 -1.16 0.00 0.00 33.47 32.70 3fkf s TRP 38 CO 0.15 -1.27 0.52 0.00 -4.06 0.00 0.00 176.95 172.30 3fkf s ALA 39 N -3.33 -1.35 0.54 2.67 0.00 -1.26 -0.73 121.76 118.31 3fkf s ALA 39 Ca 0.18 0.90 0.30 0.00 0.00 0.00 0.00 51.96 53.34 3fkf s ALA 39 Cb -0.04 0.03 1.74 0.00 0.00 0.00 0.00 23.12 24.86 3fkf s ALA 39 CO 0.11 -0.32 2.21 0.66 0.00 0.00 0.00 175.76 178.41 3fkf h SER 40 N 3.38 0.00 0.48 0.00 4.64 -1.92 -0.08 113.55 120.04 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 0.39 0.04 -0.14 -2.67 -0.87 0.00 0.00 176.83 173.58 3fkf n TRP 41 N -3.75 0.00 -3.13 4.77 4.27 -1.26 -4.25 117.44 114.10 3fkf n TRP 41 Ca -0.03 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.38 3fkf n TRP 41 Cb 0.13 -0.24 -0.05 0.00 -1.36 0.00 0.00 31.31 29.78 3fkf n TRP 41 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3fkf n ASP 43 N 1.82 1.23 0.13 0.00 2.03 -1.22 -4.23 116.55 116.30 3fkf n ASP 43 Ca 0.20 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.56 3fkf n ASP 43 Cb 0.54 -0.61 0.23 0.00 -0.72 0.00 0.00 41.12 40.56 3fkf n ASP 43 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fkf h PRO 44 N 3.05 0.00 -4.67 -0.67 0.13 -1.94 -3.42 132.00 124.48 3fkf h PRO 44 Ca 0.10 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.54 3fkf h PRO 44 Cb 0.91 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.74 3fkf h PRO 44 CO 0.54 0.00 -0.61 -0.65 -0.23 0.00 0.00 178.00 177.04 3fkf s GLN 45 N -3.18 2.54 0.45 0.86 -1.52 -1.26 -5.01 119.66 112.55 3fkf s GLN 45 Ca 0.07 -1.26 0.13 0.00 -1.95 0.00 0.00 55.36 52.35 3fkf s GLN 45 Cb 0.10 -3.43 1.06 0.00 -0.22 0.00 0.00 33.01 30.52 3fkf s GLN 45 CO 0.67 -0.70 2.06 -1.35 -0.25 0.00 0.00 175.29 175.72 3fkf h PRO 46 N 8.17 0.32 0.00 2.91 0.11 -2.03 -2.58 132.00 138.91 3fkf h PRO 46 Ca -0.22 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3fkf h PRO 46 Cb 1.08 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fkf h PRO 46 CO 0.60 0.21 -0.01 0.93 -0.21 0.00 0.00 178.00 179.53 3fkf h GLU 47 N 0.33 0.00 0.29 1.05 4.39 -1.98 -1.80 114.58 116.85 3fkf h GLU 47 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3fkf h GLU 47 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3fkf h GLU 47 CO -0.03 0.01 -0.14 0.00 -1.16 0.00 0.00 179.01 177.69 3fkf h ALA 48 N 1.99 -0.38 -0.40 3.43 0.00 -1.90 -1.48 119.26 120.52 3fkf h ALA 48 Ca -0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3fkf h ALA 48 Cb 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fkf h ALA 48 CO 0.00 -0.69 -0.33 -0.91 0.00 0.00 0.00 179.25 177.32 3fkf h ASN 49 N -0.43 0.95 -0.73 0.00 -0.26 -1.63 -3.04 115.58 110.44 3fkf h ASN 49 Ca -0.04 -0.41 0.01 0.00 -0.56 0.00 0.00 56.30 55.30 3fkf h ASN 49 Cb 0.33 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 3fkf h ASN 49 CO 0.06 1.19 0.48 0.00 -1.06 0.00 0.00 177.43 178.10 3fkf h ALA 50 N 0.86 0.93 -0.26 -0.83 0.00 -1.25 0.19 119.26 118.91 3fkf h ALA 50 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3fkf h ALA 50 Cb 0.90 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3fkf h ALA 50 CO 0.08 0.36 -0.19 1.05 0.00 0.00 0.00 179.25 180.55 3fkf h GLU 51 N 1.00 0.46 -0.31 0.00 4.11 -1.29 -0.40 114.58 118.15 3fkf h GLU 51 Ca 0.27 -0.15 -0.14 0.00 0.07 0.00 0.00 59.36 59.40 3fkf h GLU 51 Cb -0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3fkf h GLU 51 CO -0.06 0.63 -0.37 -0.07 0.07 0.00 0.00 179.01 179.22 3fkf h LEU 52 N 0.42 0.86 -0.81 3.06 3.38 -1.28 -1.75 115.31 119.20 3fkf h LEU 52 Ca 0.07 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3fkf h LEU 52 Cb 0.57 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3fkf h LEU 52 CO 0.04 1.18 0.47 0.11 0.09 0.00 0.00 178.44 180.33 3fkf h LYS 53 N 0.57 0.80 -0.48 1.13 1.57 -0.20 -0.08 116.57 119.88 3fkf h LYS 53 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fkf h LYS 53 Cb 0.95 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3fkf h LYS 53 CO 0.09 0.53 0.25 0.00 -0.57 0.00 0.00 179.45 179.75 3fkf h ARG 54 N 0.83 0.67 -0.73 3.15 3.08 -0.90 -2.14 114.38 118.34 3fkf h ARG 54 Ca 0.38 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3fkf h ARG 54 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3fkf h ARG 54 CO -0.22 0.54 0.24 -0.07 -1.07 0.00 0.00 179.97 179.39 3fkf h LEU 55 N 0.63 1.05 -0.70 3.04 3.38 -0.95 -0.21 115.31 121.55 3fkf h LEU 55 Ca 0.17 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fkf h LEU 55 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3fkf h LEU 55 CO -0.03 0.97 0.45 -1.13 0.09 0.00 0.00 178.44 178.80 3fkf h ASN 56 N 1.07 0.76 -0.03 -0.43 -0.00 -0.70 -2.10 115.58 114.14 3fkf h ASN 56 Ca 0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.52 3fkf h ASN 56 Cb 0.29 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.43 3fkf h ASN 56 CO -0.01 0.54 0.01 0.50 -0.00 0.00 0.00 177.43 178.47 3fkf h LYS 57 N 0.90 0.05 -0.51 6.67 3.64 -1.12 -2.55 116.57 123.64 3fkf h LYS 57 Ca 0.27 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3fkf h LYS 57 Cb -0.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3fkf h LYS 57 CO -0.08 0.23 0.14 1.49 -2.27 0.00 0.00 179.45 178.95 3fkf h GLU 58 N -0.14 0.77 -0.24 1.90 4.81 -0.87 -3.06 114.58 117.75 3fkf h GLU 58 Ca 0.01 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3fkf h GLU 58 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3fkf h GLU 58 CO -0.00 0.69 -0.00 0.66 -0.73 0.00 0.00 179.01 179.62 3fkf n TYR 59 N -4.30 0.86 0.24 0.92 4.01 -0.80 -4.71 117.16 113.38 3fkf n TYR 59 Ca 0.04 -0.97 0.09 0.00 -0.16 0.00 0.00 57.90 56.90 3fkf n TYR 59 Cb 0.21 -0.32 0.60 0.00 -0.31 0.00 0.00 39.34 39.52 3fkf n TYR 59 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3fkf h LYS 60 N 1.52 0.00 -0.01 -0.72 2.10 -1.35 -1.42 116.57 116.70 3fkf h LYS 60 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3fkf h LYS 60 Cb 1.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 3fkf h LYS 60 CO 0.22 0.18 -0.12 1.63 -2.00 0.00 0.00 179.45 179.36 3fkf n LYS 61 N -3.90 0.84 -2.92 0.07 5.02 -1.26 -4.84 118.16 111.17 3fkf n LYS 61 Ca -0.02 -0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 55.50 3fkf n LYS 61 Cb 0.27 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.40 6.73 0.03 4.39 3.84 -0.54 -4.93 114.94 122.06 3fkf s ASN 62 Ca 0.30 0.83 0.28 0.00 0.21 0.00 0.00 52.86 54.48 3fkf s ASN 62 Cb 0.20 -2.42 1.05 0.00 -0.55 0.00 0.00 41.25 39.53 3fkf s ASN 62 CO 0.46 -0.57 1.81 0.29 -2.79 0.00 0.00 177.10 176.31 3fkf n LYS 63 N 6.11 0.04 -0.70 0.43 5.02 -1.26 -3.06 118.16 124.75 3fkf n LYS 63 Ca 0.04 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 3fkf n LYS 63 Cb 0.48 -1.54 0.33 0.00 -0.02 0.00 0.00 35.03 34.27 3fkf n LYS 63 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3fkf n ASN 64 N -1.61 4.72 -3.92 4.39 5.15 -1.26 -4.88 115.26 117.85 3fkf n ASN 64 Ca 0.06 -2.69 -0.14 0.00 -0.60 0.00 0.00 54.58 51.22 3fkf n ASN 64 Cb 0.35 -0.63 -0.14 0.00 -0.53 0.00 0.00 39.78 38.83 3fkf n ASN 64 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3fkf s PHE 65 N -2.32 0.23 0.00 1.20 5.36 -1.17 -0.97 117.98 120.31 3fkf s PHE 65 Ca 0.44 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3fkf s PHE 65 Cb 0.33 -0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3fkf s PHE 65 CO 0.14 -0.01 0.00 0.00 -1.46 0.00 0.00 175.22 173.90 3fkf n ALA 66 N 2.98 0.00 0.00 11.12 0.00 0.16 -4.92 120.51 129.86 3fkf n ALA 66 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3fkf n ALA 66 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.70 0.00 7.94 -0.29 -1.39 117.00 118.56 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 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3fkf n LEU 68 CO 0.00 0.00 0.44 -0.83 -1.11 0.00 0.00 177.39 175.89 3fkf s GLY 69 N 0.00 2.44 -0.23 -3.96 0.00 -0.32 -0.34 107.32 104.90 3fkf s GLY 69 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 3fkf s GLY 69 CO 0.00 1.29 -0.10 -0.42 0.00 0.00 0.00 173.10 173.87 3fkf s ILE 70 N 1.23 2.56 0.00 0.90 1.01 0.21 -0.24 121.20 126.87 3fkf s ILE 70 Ca 0.36 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3fkf s ILE 70 Cb -0.17 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3fkf s ILE 70 CO 0.16 0.25 0.28 -0.55 0.00 0.00 0.00 174.94 175.08 3fkf s SER 71 N 1.28 6.52 -0.27 3.58 0.15 -0.52 -1.80 113.70 122.64 3fkf s SER 71 Ca -0.00 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.32 3fkf s SER 71 Cb -0.16 -2.11 0.60 0.00 -1.71 0.00 0.00 66.02 62.64 3fkf s SER 71 CO -0.07 0.26 1.61 0.18 1.20 0.00 0.00 173.24 176.43 3fkf n LEU 72 N 1.21 5.37 -4.71 3.45 4.32 0.10 -4.34 117.00 122.40 3fkf n LEU 72 Ca -0.12 -2.79 -0.34 0.00 -0.02 0.00 0.00 56.01 52.74 3fkf n LEU 72 Cb 0.53 -0.71 0.11 0.00 -1.62 0.00 0.00 43.42 41.73 3fkf n LEU 72 CO 0.40 0.74 0.80 -1.81 -1.22 0.00 0.00 177.39 176.30 3fkf s ASP 73 N -0.72 3.92 0.00 -1.43 1.01 -1.26 -3.91 116.67 114.28 3fkf s ASP 73 Ca 0.45 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.12 3fkf s ASP 73 Cb 0.36 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.69 3fkf s ASP 73 CO 0.11 -2.45 0.37 2.30 0.21 0.00 0.00 175.17 175.71 3fkf n ILE 74 N -2.90 0.00 -3.94 0.77 -5.35 -1.26 -3.49 119.36 103.19 3fkf n ILE 74 Ca 0.14 -0.48 -0.29 0.00 -0.27 0.00 0.00 62.75 61.85 3fkf n ILE 74 Cb 0.50 1.03 -0.16 0.00 -1.74 0.00 0.00 39.64 39.27 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 -0.21 2.79 0.36 7.28 2.15 -1.26 -4.92 116.67 122.86 3fkf s ASP 75 Ca 0.00 -0.60 0.06 0.00 0.43 0.00 0.00 52.55 52.44 3fkf s ASP 75 Cb 0.00 -1.01 0.75 0.00 -0.30 0.00 0.00 42.92 42.36 3fkf s ASP 75 CO 0.00 -0.14 1.95 -0.09 -0.17 0.00 0.00 175.17 176.72 3fkf h ARG 76 N 8.09 0.72 -0.14 4.34 2.43 -2.00 -1.90 114.38 125.92 3fkf h ARG 76 Ca -0.29 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 3fkf h ARG 76 Cb 1.12 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3fkf h ARG 76 CO 0.44 0.48 -0.53 1.49 -1.51 0.00 0.00 179.97 180.34 3fkf h GLU 77 N 0.74 0.61 -0.67 0.20 4.81 -1.99 -1.39 114.58 116.89 3fkf h GLU 77 Ca 0.32 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3fkf h GLU 77 Cb 0.30 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3fkf h GLU 77 CO -0.11 1.09 0.37 0.00 -0.73 0.00 0.00 179.01 179.63 3fkf h ALA 78 N 0.52 1.41 0.47 2.92 0.00 -1.94 -1.02 119.26 121.62 3fkf h ALA 78 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fkf h ALA 78 Cb 1.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fkf h ALA 78 CO 0.11 0.50 -0.23 2.35 0.00 0.00 0.00 179.25 181.98 3fkf h TRP 79 N 0.92 -0.59 -0.46 0.00 7.01 -1.16 -2.15 115.95 119.52 3fkf h TRP 79 Ca 0.24 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.20 3fkf h TRP 79 Cb 0.01 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3fkf h TRP 79 CO 0.01 -0.30 0.18 0.93 -2.79 0.00 0.00 178.44 176.46 3fkf h GLU 80 N -0.77 0.66 -0.10 2.65 5.08 -1.22 -1.09 114.58 119.79 3fkf h GLU 80 Ca -0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3fkf h GLU 80 Cb 0.55 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3fkf h GLU 80 CO 0.11 0.55 0.05 1.15 -1.00 0.00 0.00 179.01 179.88 3fkf h THR 81 N 0.66 1.10 -0.72 1.13 2.02 -1.16 -1.54 112.91 114.40 3fkf h THR 81 Ca 0.16 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3fkf h THR 81 Cb 0.14 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3fkf h THR 81 CO -0.01 0.09 0.19 0.00 0.37 0.00 0.00 175.52 176.15 3fkf h ALA 82 N 0.95 0.97 -0.64 6.16 0.00 -1.06 0.33 119.26 125.98 3fkf h ALA 82 Ca 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fkf h ALA 82 Cb 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3fkf h ALA 82 CO -0.01 0.67 0.33 0.82 0.00 0.00 0.00 179.25 181.06 3fkf h ILE 83 N 1.09 0.92 -0.00 0.00 2.04 -1.04 -1.94 117.51 118.57 3fkf h ILE 83 Ca 0.23 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3fkf h ILE 83 Cb 0.35 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3fkf h ILE 83 CO -0.00 0.11 -0.01 0.50 0.00 0.00 0.00 178.15 178.75 3fkf h LYS 84 N 0.60 0.01 -0.78 2.37 3.11 -0.62 -0.48 116.57 120.78 3fkf h LYS 84 Ca 0.29 -0.01 0.18 0.00 -2.81 0.00 0.00 60.65 58.31 3fkf h LYS 84 Cb 0.23 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.34 3fkf h LYS 84 CO -0.21 0.60 0.19 -0.22 -2.81 0.00 0.00 179.45 177.00 3fkf h LYS 85 N -0.57 0.24 -0.34 1.90 1.63 -0.84 -1.74 116.57 116.85 3fkf h LYS 85 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3fkf h LYS 85 Cb 0.60 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3fkf h LYS 85 CO 0.00 0.16 0.00 -0.25 -3.45 0.00 0.00 179.45 175.91 3fkf n ASP 86 N -5.19 3.41 -3.65 4.20 8.00 -0.74 -5.00 116.55 117.59 3fkf n ASP 86 Ca 0.16 -1.99 -0.26 0.00 0.71 0.00 0.00 54.79 53.41 3fkf n ASP 86 Cb 0.53 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.47 -5.66 -2.92 -3.53 -1.04 -0.65 -4.87 114.28 97.08 3fkf n THR 87 Ca 0.19 -0.59 -0.44 0.00 -2.04 0.00 0.00 64.05 61.17 3fkf n THR 87 Cb 0.61 -4.23 -0.00 0.00 -1.82 0.00 0.00 70.33 64.88 3fkf n THR 87 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fkf s LEU 88 N -5.81 4.97 0.36 -4.42 1.02 -0.28 -4.83 118.68 109.69 3fkf s LEU 88 Ca 0.29 -2.80 0.11 0.00 0.02 0.00 0.00 54.13 51.75 3fkf s LEU 88 Cb -0.11 -2.41 0.68 0.00 0.02 0.00 0.00 46.19 44.36 3fkf s LEU 88 CO 0.86 -0.83 1.82 0.28 0.02 0.00 0.00 176.35 178.50 3fkf h SER 89 N 7.47 0.09 -3.81 2.29 0.02 -1.89 -3.46 113.55 114.27 3fkf h SER 89 Ca 0.30 -0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.78 3fkf h SER 89 Cb 0.90 -0.03 0.17 0.00 0.14 0.00 0.00 62.40 63.58 3fkf h SER 89 CO 1.24 0.43 0.21 -1.66 -1.14 0.00 0.00 176.83 175.90 3fkf s TRP 90 N -4.29 1.48 0.42 3.45 -2.14 -1.26 -4.95 118.94 111.65 3fkf s TRP 90 Ca -0.04 0.69 -0.25 0.00 2.66 0.00 0.00 56.10 59.16 3fkf s TRP 90 Cb 0.14 -3.45 -0.10 0.00 -3.10 0.00 0.00 33.47 26.96 3fkf s TRP 90 CO 0.74 -3.18 1.26 -0.25 -2.66 0.00 0.00 176.95 172.85 3fkf n ASP 91 N -4.30 2.48 -3.77 -2.66 8.00 -1.26 -4.83 116.55 110.20 3fkf n ASP 91 Ca 0.10 1.11 -0.23 0.00 0.71 0.00 0.00 54.79 56.47 3fkf n ASP 91 Cb 0.59 -1.49 -0.17 0.00 -0.02 0.00 0.00 41.12 40.02 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 -2.18 0.60 0.33 -1.24 -1.52 -1.26 -1.18 119.66 113.21 3fkf s GLN 92 Ca 0.61 0.07 0.10 0.00 -1.95 0.00 0.00 55.36 54.18 3fkf s GLN 92 Cb -0.51 -1.07 -0.06 0.00 -0.22 0.00 0.00 33.01 31.14 3fkf s GLN 92 CO 0.58 -0.33 -0.12 0.14 -0.25 0.00 0.00 175.29 175.31 3fkf s VAL 93 N 1.97 2.26 -0.28 1.09 -7.23 0.66 -3.13 120.40 115.73 3fkf s VAL 93 Ca 0.05 -2.24 -0.18 0.00 -1.81 0.00 0.00 61.98 57.79 3fkf s VAL 93 Cb -0.13 -2.57 0.12 0.00 0.56 0.00 0.00 36.38 34.36 3fkf s VAL 93 CO -0.06 -0.25 0.90 0.00 -0.31 0.00 0.00 175.10 175.38 3fkf n ASP 95 N 3.51 3.03 -0.84 0.00 5.68 -1.26 -4.25 116.55 122.41 3fkf n ASP 95 Ca -0.17 -1.91 -0.08 0.00 -0.50 0.00 0.00 54.79 52.13 3fkf n ASP 95 Cb 0.57 -0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 3fkf n ASP 95 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3fkf n PHE 96 N 0.88 -0.29 0.00 2.11 3.72 -1.23 -4.90 117.46 117.75 3fkf n PHE 96 Ca 0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.64 3fkf n PHE 96 Cb 0.46 -2.02 -0.14 0.00 -0.94 0.00 0.00 39.48 36.84 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 -3.74 0.21 -4.38 4.37 -2.24 -1.26 -4.72 114.28 102.52 3fkf n THR 97 Ca -0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3fkf n THR 97 Cb 0.50 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.28 0.58 0.37 3.38 0.00 -1.25 -3.32 105.19 106.22 3fkf n GLY 98 Ca -0.05 -0.85 0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 0.99 3.38 -1.96 0.15 115.31 115.61 3fkf h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fkf h LEU 99 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fkf h LEU 99 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3fkf n SER 100 N -3.54 3.43 -4.61 -0.43 3.41 -1.21 -4.94 113.62 105.73 3fkf n SER 100 Ca 0.04 -2.38 -0.50 0.00 -0.26 0.00 0.00 58.87 55.78 3fkf n SER 100 Cb 0.53 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.55 2.02 0.01 4.04 2.88 0.54 -4.88 113.62 118.78 3fkf n SER 101 Ca 0.17 1.11 -0.11 0.00 -1.33 0.00 0.00 58.87 58.71 3fkf n SER 101 Cb 0.68 -1.25 0.03 0.00 -0.75 0.00 0.00 64.21 62.92 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 4.87 0.57 -0.77 -1.46 4.57 -1.92 -2.55 114.58 117.90 3fkf h GLU 102 Ca -0.47 -0.39 0.09 0.00 -1.18 0.00 0.00 59.36 57.42 3fkf h GLU 102 Cb 1.31 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.89 3fkf h GLU 102 CO 0.80 1.00 0.42 1.15 -1.18 0.00 0.00 179.01 181.21 3fkf h THR 103 N 0.42 0.89 -0.24 0.32 2.02 -1.96 0.66 112.91 115.02 3fkf h THR 103 Ca -0.00 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 3fkf h THR 103 Cb 1.16 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fkf h THR 103 CO 0.11 0.13 -0.34 0.00 0.37 0.00 0.00 175.52 175.80 3fkf h ALA 104 N 1.44 0.36 -0.40 6.16 0.00 -1.91 -1.37 119.26 123.54 3fkf h ALA 104 Ca 0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fkf h ALA 104 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fkf h ALA 104 CO -0.25 0.41 0.08 -0.22 0.00 0.00 0.00 179.25 179.27 3fkf h LYS 105 N 0.35 0.66 -0.08 0.00 3.64 -1.17 -0.03 116.57 119.95 3fkf h LYS 105 Ca 0.02 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3fkf h LYS 105 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3fkf h LYS 105 CO 0.08 0.69 -0.17 1.96 -2.27 0.00 0.00 179.45 179.74 3fkf h GLN 106 N 0.51 0.12 -0.15 1.90 4.20 -0.76 -1.49 115.11 119.44 3fkf h GLN 106 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3fkf h GLN 106 Cb 0.35 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3fkf h GLN 106 CO 0.01 0.30 0.00 0.66 -0.67 0.00 0.00 178.83 179.12 3fkf n TYR 107 N -4.28 0.19 -3.70 2.96 4.02 -0.53 -4.81 117.16 111.01 3fkf n TYR 107 Ca -0.02 -0.10 -0.23 0.00 -0.01 0.00 0.00 57.90 57.55 3fkf n TYR 107 Cb 0.27 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.17 -1.84 -2.60 -0.72 0.00 -0.56 -4.94 120.51 110.02 3fkf n ALA 108 Ca 0.15 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3fkf n ALA 108 Cb 0.29 -2.70 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 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 -3.54 4.82 -0.10 0.00 -1.09 -0.11 -4.90 121.20 116.28 3fkf s ILE 109 Ca 0.16 1.04 0.11 0.00 -2.23 0.00 0.00 60.65 59.73 3fkf s ILE 109 Cb -0.08 -4.12 -0.16 0.00 -1.58 0.00 0.00 42.46 36.53 3fkf s ILE 109 CO 0.80 -0.25 0.08 0.18 -1.23 0.00 0.00 174.94 174.52 3fkf n LEU 110 N 6.15 0.00 -4.27 2.97 4.77 -1.26 -4.67 117.00 120.68 3fkf n LEU 110 Ca 0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 3fkf n LEU 110 Cb 0.48 0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 3fkf n LEU 110 CO 0.50 0.25 -0.24 0.42 -1.33 0.00 0.00 177.39 176.99 3fkf s THR 111 N -2.37 0.33 0.01 -5.08 -4.23 -1.26 -5.17 115.64 97.87 3fkf s THR 111 Ca -0.06 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3fkf s THR 111 Cb 0.04 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 3fkf s THR 111 CO 0.50 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.63 3fkf s LEU 112 N -3.26 2.10 0.47 4.79 1.43 -1.26 -3.99 118.68 118.95 3fkf s LEU 112 Ca 0.38 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 3fkf s LEU 112 Cb 0.07 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 3fkf s LEU 112 CO 0.13 0.18 0.93 -2.16 0.23 0.00 0.00 176.35 175.66 3fkf s PRO 113 N -0.78 3.99 -0.03 1.29 0.04 -1.26 -4.97 135.00 133.27 3fkf s PRO 113 Ca 0.06 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.02 3fkf s PRO 113 Cb -0.08 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.28 3fkf s PRO 113 CO 0.00 -0.15 -0.05 0.99 0.04 0.00 0.00 177.00 177.83 3fkf s THR 114 N -2.44 0.55 -0.12 1.26 2.01 -0.48 -4.99 115.64 111.42 3fkf s THR 114 Ca 0.58 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3fkf s THR 114 Cb -0.10 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3fkf s THR 114 CO 0.26 0.21 0.17 0.20 -0.69 0.00 0.00 174.62 174.77 3fkf s ASN 115 N 0.64 6.40 -0.07 3.53 0.01 -1.26 -0.54 114.94 123.65 3fkf s ASN 115 Ca -0.09 0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.55 3fkf s ASN 115 Cb -0.12 -2.09 0.02 0.00 0.41 0.00 0.00 41.25 39.46 3fkf s ASN 115 CO 0.00 0.35 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.21 3fkf s ILE 116 N -0.74 0.98 -0.22 0.60 -1.09 -0.28 -1.17 121.20 119.28 3fkf s ILE 116 Ca 0.15 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.12 3fkf s ILE 116 Cb -0.12 -0.93 -0.04 0.00 -1.58 0.00 0.00 42.46 39.79 3fkf s ILE 116 CO 0.04 0.33 0.07 -0.22 -1.23 0.00 0.00 174.94 173.93 3fkf s LEU 117 N 0.84 3.63 0.05 2.97 2.96 0.02 -0.43 118.68 128.72 3fkf s LEU 117 Ca -0.12 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3fkf s LEU 117 Cb -0.15 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3fkf s LEU 117 CO 0.02 0.06 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.32 3fkf s LEU 118 N 1.05 3.37 0.71 -0.68 1.43 0.17 -1.32 118.68 123.42 3fkf s LEU 118 Ca 0.04 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3fkf s LEU 118 Cb -0.14 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3fkf s LEU 118 CO 0.03 0.23 1.06 -0.94 0.23 0.00 0.00 176.35 176.96 3fkf s SER 119 N -1.91 5.05 0.49 2.29 1.04 0.12 -1.59 113.70 119.18 3fkf s SER 119 Ca 0.22 0.79 0.19 0.00 0.48 0.00 0.00 55.95 57.63 3fkf s SER 119 Cb -0.11 -1.50 1.23 0.00 0.10 0.00 0.00 66.02 65.73 3fkf s SER 119 CO 0.13 -1.52 2.01 -0.65 0.98 0.00 0.00 173.24 174.20 3fkf h PRO 120 N -0.67 0.16 -0.65 4.02 0.11 -1.90 0.16 132.00 133.24 3fkf h PRO 120 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fkf h PRO 120 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fkf h PRO 120 CO 0.63 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.78 3fkf n THR 121 N -4.44 1.35 -0.83 -1.15 -2.24 -1.26 -4.03 114.28 101.68 3fkf n THR 121 Ca 0.08 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3fkf n THR 121 Cb 0.44 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.68 0.57 3.76 3.38 0.00 0.57 -4.92 105.19 109.22 3fkf n GLY 122 Ca 0.17 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 4.70 -0.23 1.61 1.02 -1.26 0.12 119.74 125.35 3fkf s LYS 123 Ca 0.00 1.54 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 3fkf s LYS 123 Cb 0.00 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 3fkf s LYS 123 CO 0.00 0.35 1.27 0.42 -0.92 0.00 0.00 175.35 176.46 3fkf s ILE 124 N -1.29 4.24 -0.16 2.17 1.01 -0.53 -0.71 121.20 125.93 3fkf s ILE 124 Ca 0.45 1.46 0.17 0.00 0.00 0.00 0.00 60.65 62.73 3fkf s ILE 124 Cb -0.26 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 37.89 3fkf s ILE 124 CO 0.32 -0.28 0.23 0.18 0.00 0.00 0.00 174.94 175.40 3fkf n LEU 125 N 7.03 0.24 -3.55 2.97 4.77 -0.43 -0.91 117.00 127.12 3fkf n LEU 125 Ca 0.14 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3fkf n LEU 125 Cb 0.46 0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.91 3fkf n LEU 125 CO 0.59 0.47 0.66 0.00 -1.33 0.00 0.00 177.39 177.78 3fkf s ALA 126 N -2.52 -1.87 0.07 -1.18 0.00 -1.23 -4.90 121.76 110.14 3fkf s ALA 126 Ca -0.09 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 3fkf s ALA 126 Cb 0.07 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3fkf s ALA 126 CO 0.83 -0.39 0.35 -0.98 0.00 0.00 0.00 175.76 175.57 3fkf s ARG 127 N -1.48 0.93 -1.36 0.00 1.70 -1.26 -0.80 118.95 116.68 3fkf s ARG 127 Ca -0.03 -0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 54.63 3fkf s ARG 127 Cb -0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3fkf s ARG 127 CO 0.02 -0.33 0.24 -0.25 -1.08 0.00 0.00 175.30 173.90 3fkf n ASP 128 N 0.24 -5.12 -4.80 -2.89 8.00 -0.32 -4.98 116.55 106.67 3fkf n ASP 128 Ca -0.17 -0.12 -0.36 0.00 0.71 0.00 0.00 54.79 54.84 3fkf n ASP 128 Cb 0.61 -4.09 -0.07 0.00 -0.02 0.00 0.00 41.12 37.54 3fkf n ASP 128 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3fkf s ILE 129 N -2.95 5.13 0.17 0.53 -4.36 -1.26 -4.93 121.20 113.54 3fkf s ILE 129 Ca 0.12 0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.59 3fkf s ILE 129 Cb -0.05 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 3fkf s ILE 129 CO 0.15 0.60 0.03 -1.10 0.24 0.00 0.00 174.94 174.85 3fkf s GLN 130 N -0.84 1.08 5.49 0.37 -0.21 -1.26 -4.57 119.66 119.72 3fkf s GLN 130 Ca 0.13 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.99 3fkf s GLN 130 Cb -0.12 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.77 3fkf s GLN 130 CO 0.03 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 3fkf n GLY 131 N -0.22 2.91 0.26 3.09 0.00 -1.26 -1.91 105.19 108.05 3fkf n GLY 131 Ca -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.70 3fkf n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fkf h GLU 132 N 0.00 0.33 -0.22 1.61 4.57 -1.99 0.12 114.58 119.00 3fkf h GLU 132 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3fkf h GLU 132 Cb 0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3fkf h GLU 132 CO 0.00 0.36 0.15 0.00 -1.18 0.00 0.00 179.01 178.34 3fkf h ALA 133 N 1.68 1.84 0.00 2.92 0.00 -1.79 0.13 119.26 124.05 3fkf h ALA 133 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fkf h ALA 133 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fkf h ALA 133 CO 0.01 0.15 -0.35 1.25 0.00 0.00 0.00 179.25 180.30 3fkf h LEU 134 N 0.30 0.00 -0.65 0.00 5.85 -0.57 -3.28 115.31 116.95 3fkf h LEU 134 Ca 0.08 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 3fkf h LEU 134 Cb -0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3fkf h LEU 134 CO -0.02 0.92 -0.28 0.71 -0.34 0.00 0.00 178.44 179.43 3fkf h THR 135 N -1.00 1.28 -0.47 1.05 1.35 -1.11 -1.69 112.91 112.31 3fkf h THR 135 Ca -0.07 -1.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.34 3fkf h THR 135 Cb 0.70 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 3fkf h THR 135 CO -0.04 0.47 0.17 1.23 -0.25 0.00 0.00 175.52 177.09 3fkf h GLY 136 N 0.96 0.78 0.83 5.82 0.00 -0.94 0.07 103.07 110.59 3fkf h GLY 136 Ca 0.08 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3fkf h GLY 136 CO 0.07 0.41 0.19 1.70 0.00 0.00 0.00 176.54 178.91 3fkf h LYS 137 N 0.63 0.37 -0.56 4.80 1.63 -1.59 -1.64 116.57 120.21 3fkf h LYS 137 Ca 0.16 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.84 3fkf h LYS 137 Cb 0.23 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 3fkf h LYS 137 CO -0.01 0.25 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.15 3fkf h LEU 138 N 0.38 0.99 -1.68 5.20 3.38 -1.22 -2.28 115.31 120.09 3fkf h LEU 138 Ca 0.15 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3fkf h LEU 138 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3fkf h LEU 138 CO -0.10 1.07 0.28 0.50 0.09 0.00 0.00 178.44 180.28 3fkf h LYS 139 N 0.89 0.40 -0.20 1.13 3.64 -0.72 -1.72 116.57 119.99 3fkf h LYS 139 Ca 0.16 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 3fkf h LYS 139 Cb 0.57 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3fkf h LYS 139 CO 0.03 0.26 -0.58 1.49 -2.27 0.00 0.00 179.45 178.38 3fkf h GLU 140 N 0.41 0.65 0.07 1.90 4.57 -0.89 -3.33 114.58 117.96 3fkf h GLU 140 Ca 0.18 -0.43 -0.28 0.00 -1.18 0.00 0.00 59.36 57.65 3fkf h GLU 140 Cb 0.19 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3fkf h GLU 140 CO -0.04 1.05 -1.40 -0.07 -1.18 0.00 0.00 179.01 177.36 3fkf h LEU 141 N 0.49 0.22 -1.87 1.64 3.38 -0.85 -3.51 115.31 114.81 3fkf h LEU 141 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fkf h LEU 141 Cb 1.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3fkf h LEU 141 CO 0.12 1.25 0.00 0.18 0.09 0.00 0.00 178.44 180.08