#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfb n MET 12 N 0.00 0.00 -3.97 -3.83 2.81 -1.26 -5.02 117.12 105.85 3kfb n MET 12 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 3kfb n MET 12 Cb 0.00 -0.39 -0.17 0.00 -0.71 0.00 0.00 33.22 31.95 3kfb n MET 12 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kfb s LYS 13 N -2.00 1.23 -0.06 0.03 1.02 -1.10 -5.06 119.74 113.80 3kfb s LYS 13 Ca 0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 55.83 3kfb s LYS 13 Cb 0.00 -1.32 0.03 0.00 -0.52 0.00 0.00 37.83 36.01 3kfb s LYS 13 CO 0.00 -0.22 -0.02 0.50 -0.92 0.00 0.00 175.35 174.69 3kfb s ARG 14 N 1.58 0.66 -0.21 1.68 3.52 -1.26 -1.61 118.95 123.31 3kfb s ARG 14 Ca 0.01 0.02 -0.08 0.00 -0.13 0.00 0.00 55.73 55.55 3kfb s ARG 14 Cb -0.13 -0.86 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 3kfb s ARG 14 CO -0.05 -0.20 0.09 0.71 -0.81 0.00 0.00 175.30 175.04 3kfb s TYR 15 N 1.44 3.26 -0.23 5.12 2.02 -1.20 -4.99 117.35 122.77 3kfb s TYR 15 Ca -0.03 0.07 -0.10 0.00 -0.37 0.00 0.00 57.07 56.64 3kfb s TYR 15 Cb -0.13 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 3kfb s TYR 15 CO -0.03 0.08 0.15 -1.64 -1.57 0.00 0.00 175.55 172.55 3kfb s MET 16 N 0.68 4.10 3.15 -0.62 -1.94 -1.26 -3.20 119.30 120.21 3kfb s MET 16 Ca 0.05 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 3kfb s MET 16 Cb -0.13 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 33.21 3kfb s MET 16 CO 0.02 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 3kfb n GLY 17 N 4.07 0.87 0.25 -0.03 0.00 0.06 -1.55 105.19 108.86 3kfb n GLY 17 Ca -0.15 0.62 0.10 0.00 0.00 0.00 0.00 46.02 46.59 3kfb n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfb h ARG 18 N 0.00 0.00 0.01 1.61 3.08 -1.94 -0.77 114.38 116.37 3kfb h ARG 18 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3kfb h ARG 18 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kfb h ARG 18 CO 0.00 0.16 -0.55 -0.44 -1.07 0.00 0.00 179.97 178.06 3kfb h ASP 19 N 0.00 0.47 -0.54 7.04 3.32 -1.63 -2.71 116.42 122.37 3kfb h ASP 19 Ca -0.00 -0.78 -0.12 0.00 0.02 0.00 0.00 57.03 56.15 3kfb h ASP 19 Cb 0.38 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3kfb h ASP 19 CO 0.02 1.19 -0.12 0.00 -1.72 0.00 0.00 179.24 178.62 3kfb h ALA 20 N 0.29 0.75 -0.74 3.45 0.00 -1.59 0.21 119.26 121.62 3kfb h ALA 20 Ca -0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3kfb h ALA 20 Cb 1.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3kfb h ALA 20 CO 0.11 0.67 0.26 1.96 0.00 0.00 0.00 179.25 182.25 3kfb h GLN 21 N 0.92 1.14 0.00 0.00 4.20 -1.25 -2.52 115.11 117.60 3kfb h GLN 21 Ca 0.14 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 3kfb h GLN 21 Cb 0.69 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3kfb h GLN 21 CO 0.05 0.96 -0.77 -0.09 -0.67 0.00 0.00 178.83 178.30 3kfb h ARG 22 N 1.09 0.00 -0.21 1.46 2.43 -1.34 -2.38 114.38 115.44 3kfb h ARG 22 Ca 0.24 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3kfb h ARG 22 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3kfb h ARG 22 CO -0.01 0.77 0.12 1.98 -1.51 0.00 0.00 179.97 181.33 3kfb h MET 23 N 0.00 0.29 0.08 0.20 4.05 -0.38 -2.10 114.93 117.06 3kfb h MET 23 Ca -0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3kfb h MET 23 Cb 1.40 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3kfb h MET 23 CO 0.10 0.24 -0.04 -0.91 0.23 0.00 0.00 176.91 176.53 3kfb h ASN 24 N 0.25 -0.09 -0.85 1.39 2.35 -1.47 -2.36 115.58 114.79 3kfb h ASN 24 Ca 0.07 -0.48 0.13 0.00 -0.55 0.00 0.00 56.30 55.47 3kfb h ASN 24 Cb 0.03 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.36 3kfb h ASN 24 CO -0.01 0.48 0.55 0.40 -1.65 0.00 0.00 177.43 177.20 3kfb h ILE 25 N -0.71 0.87 -0.18 2.81 2.04 -1.47 0.17 117.51 121.04 3kfb h ILE 25 Ca -0.01 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 3kfb h ILE 25 Cb 0.57 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3kfb h ILE 25 CO 0.02 0.12 -0.41 0.25 0.00 0.00 0.00 178.15 178.13 3kfb h LEU 26 N 0.68 0.68 -1.48 1.44 6.46 -1.43 -1.25 115.31 120.41 3kfb h LEU 26 Ca 0.42 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3kfb h LEU 26 Cb 0.65 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 3kfb h LEU 26 CO -0.18 1.11 0.21 0.00 -0.62 0.00 0.00 178.44 178.96 3kfb h ALA 27 N 0.58 1.61 0.04 1.25 0.00 -0.52 -0.65 119.26 121.57 3kfb h ALA 27 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3kfb h ALA 27 Cb 1.01 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kfb h ALA 27 CO 0.09 0.33 -1.06 0.78 0.00 0.00 0.00 179.25 179.39 3kfb h GLY 28 N 0.65 0.72 2.00 0.00 0.00 -1.00 -3.07 103.07 102.37 3kfb h GLY 28 Ca 0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.08 3kfb h GLY 28 CO -0.02 1.18 -0.24 3.21 0.00 0.00 0.00 176.54 180.67 3kfb h ARG 29 N 0.28 0.00 0.06 4.80 3.08 -0.99 -2.43 114.38 119.19 3kfb h ARG 29 Ca -0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.66 3kfb h ARG 29 Cb 1.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.76 3kfb h ARG 29 CO 0.21 0.24 -1.16 0.97 -1.07 0.00 0.00 179.97 179.16 3kfb h ILE 30 N 0.00 1.56 0.00 2.04 2.10 -1.13 -2.21 117.51 119.88 3kfb h ILE 30 Ca -0.00 -3.22 0.00 0.00 1.08 0.00 0.00 64.86 62.72 3kfb h ILE 30 Cb 0.44 2.87 0.00 0.00 -1.09 0.00 0.00 36.82 39.04 3kfb h ILE 30 CO 0.03 0.92 -0.40 0.16 -1.08 0.00 0.00 178.15 177.78 3kfb h ILE 31 N 0.03 0.00 0.00 2.19 3.07 -1.55 -3.15 117.51 118.11 3kfb h ILE 31 Ca -0.08 -0.65 -0.07 0.00 1.55 0.00 0.00 64.86 65.60 3kfb h ILE 31 Cb 1.88 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 39.83 3kfb h ILE 31 CO 0.16 0.00 -0.35 0.00 -1.05 0.00 0.00 178.15 176.91 3kfb h ALA 32 N 2.35 0.89 0.00 0.16 0.00 -1.37 -3.12 119.26 118.17 3kfb h ALA 32 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kfb h ALA 32 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kfb h ALA 32 CO 0.00 0.44 -0.40 0.39 0.00 0.00 0.00 179.25 179.68 3kfb n GLU 33 N -3.35 0.15 0.13 0.00 1.02 -0.84 -3.12 120.64 114.63 3kfb n GLU 33 Ca 0.01 0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 3kfb n GLU 33 Cb 0.56 -1.61 0.12 0.00 -0.02 0.00 0.00 31.44 30.49 3kfb n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kfb h THR 34 N 0.00 1.32 -0.01 2.62 2.02 -1.51 -3.21 112.91 114.14 3kfb h THR 34 Ca 0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 3kfb h THR 34 Cb 0.63 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3kfb h THR 34 CO 0.00 0.63 -0.43 1.33 0.37 0.00 0.00 175.52 177.43 3kfb n VAL 35 N -3.56 0.00 -0.08 3.16 0.24 -1.23 -4.64 118.33 112.22 3kfb n VAL 35 Ca -0.00 -0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.11 3kfb n VAL 35 Cb 0.69 1.21 0.47 0.00 -1.47 0.00 0.00 33.84 34.74 3kfb n VAL 35 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kfb h ARG 36 N 1.99 0.45 0.00 7.34 3.08 -1.54 -1.72 114.38 123.98 3kfb h ARG 36 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kfb h ARG 36 Cb 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3kfb h ARG 36 CO 0.00 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 178.07 3kfb n SER 37 N -4.47 0.00 0.03 7.04 3.41 -1.26 -3.18 113.62 115.18 3kfb n SER 37 Ca 0.09 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.33 3kfb n SER 37 Cb 0.30 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 3kfb n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kfb n THR 38 N -1.16 0.17 -2.49 6.66 -2.24 -0.65 -0.22 114.28 114.35 3kfb n THR 38 Ca 0.18 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 3kfb n THR 38 Cb 0.18 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 3kfb n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kfb s LEU 39 N -3.82 4.21 0.00 3.22 0.20 -1.19 -4.38 118.68 116.92 3kfb s LEU 39 Ca 0.05 1.68 0.00 0.00 0.69 0.00 0.00 54.13 56.55 3kfb s LEU 39 Cb 0.15 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 3kfb s LEU 39 CO 0.78 -0.66 0.00 0.61 -0.29 0.00 0.00 176.35 176.79 3kfb n GLY 40 N 3.44 1.43 0.19 7.98 0.00 -1.26 -4.11 105.19 112.86 3kfb n GLY 40 Ca 0.12 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.11 3kfb n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kfb h PRO 41 N 0.00 0.00 -0.60 1.61 0.11 -1.87 -3.06 132.00 128.19 3kfb h PRO 41 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kfb h PRO 41 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kfb h PRO 41 CO 0.00 0.38 0.00 1.63 -0.21 0.00 0.00 178.00 179.80 3kfb n LYS 42 N -3.81 4.73 -2.23 1.05 4.76 -1.26 -4.23 118.16 117.18 3kfb n LYS 42 Ca -0.01 -3.10 -0.28 0.00 -2.87 0.00 0.00 58.31 52.05 3kfb n LYS 42 Cb 0.45 -2.22 0.03 0.00 -1.84 0.00 0.00 35.03 31.46 3kfb n LYS 42 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfb s GLY 43 N -0.79 1.61 0.18 0.72 0.00 -1.16 -4.42 107.32 103.47 3kfb s GLY 43 Ca 0.54 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.78 3kfb s GLY 43 CO 0.17 -0.25 -0.03 1.06 0.00 0.00 0.00 173.10 174.05 3kfb s MET 44 N -5.10 2.29 0.58 2.90 -1.94 0.69 -4.92 119.30 113.79 3kfb s MET 44 Ca 0.55 -1.17 -0.06 0.00 -1.71 0.00 0.00 55.69 53.29 3kfb s MET 44 Cb -0.11 -2.28 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 3kfb s MET 44 CO 0.48 0.44 0.89 -0.51 -0.01 0.00 0.00 175.02 176.31 3kfb s ASP 45 N -2.95 5.72 0.10 3.03 1.01 -1.26 -3.95 116.67 118.37 3kfb s ASP 45 Ca 0.27 0.78 0.09 0.00 0.71 0.00 0.00 52.55 54.40 3kfb s ASP 45 Cb -0.09 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 3kfb s ASP 45 CO 0.18 -0.98 -0.21 -0.54 0.21 0.00 0.00 175.17 173.82 3kfb s LYS 46 N -4.97 1.73 -0.25 8.23 -0.14 -0.83 -4.97 119.74 118.54 3kfb s LYS 46 Ca 0.53 -1.19 -0.05 0.00 -1.36 0.00 0.00 55.97 53.90 3kfb s LYS 46 Cb -0.11 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 3kfb s LYS 46 CO 0.46 0.48 0.01 1.41 -0.76 0.00 0.00 175.35 176.95 3kfb s MET 47 N -1.94 3.23 -0.20 1.68 -2.45 -1.26 -2.24 119.30 116.12 3kfb s MET 47 Ca 0.16 -0.74 -0.05 0.00 -1.25 0.00 0.00 55.69 53.81 3kfb s MET 47 Cb -0.10 -3.17 -0.03 0.00 1.25 0.00 0.00 34.83 32.78 3kfb s MET 47 CO 0.08 -0.31 0.01 -0.51 1.05 0.00 0.00 175.02 175.34 3kfb s LEU 48 N 1.48 3.31 0.02 4.11 1.02 -0.85 -4.99 118.68 122.78 3kfb s LEU 48 Ca 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.07 3kfb s LEU 48 Cb -0.16 -1.84 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 3kfb s LEU 48 CO -0.01 0.06 -0.16 -0.69 0.02 0.00 0.00 176.35 175.57 3kfb s VAL 49 N 1.01 2.92 0.00 -1.59 1.01 -1.26 -1.04 120.40 121.44 3kfb s VAL 49 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3kfb s VAL 49 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3kfb s VAL 49 CO 0.02 0.39 0.00 -0.90 0.00 0.00 0.00 175.10 174.61 3kfb n ASP 50 N 1.70 0.90 0.18 3.32 5.75 -1.15 -5.01 116.55 122.24 3kfb n ASP 50 Ca -0.16 -0.05 0.07 0.00 -0.01 0.00 0.00 54.79 54.64 3kfb n ASP 50 Cb 0.52 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.84 3kfb n ASP 50 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3kfb h ASP 51 N 0.00 0.00 0.60 -1.12 3.04 -2.01 -3.23 116.42 113.71 3kfb h ASP 51 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kfb h ASP 51 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3kfb h ASP 51 CO 0.00 0.32 -0.53 0.18 -2.04 0.00 0.00 179.24 177.17 3kfb n LEU 52 N -3.28 0.53 0.00 0.15 4.77 -1.26 -4.93 117.00 112.98 3kfb n LEU 52 Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3kfb n LEU 52 Cb 0.58 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3kfb n LEU 52 CO 0.37 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kfb n GLY 53 N 1.46 0.54 3.65 -0.72 0.00 -1.22 -5.04 105.19 103.86 3kfb n GLY 53 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3kfb n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfb s ASP 54 N -2.96 6.76 -0.11 1.61 1.01 -1.26 -4.85 116.67 116.87 3kfb s ASP 54 Ca 0.00 1.84 -0.05 0.00 0.71 0.00 0.00 52.55 55.05 3kfb s ASP 54 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3kfb s ASP 54 CO 0.00 -0.90 0.07 0.54 0.21 0.00 0.00 175.17 175.09 3kfb s VAL 55 N 3.94 4.87 -0.07 -1.27 0.11 -1.26 -2.94 120.40 123.79 3kfb s VAL 55 Ca 0.63 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.65 3kfb s VAL 55 Cb -0.26 -3.10 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 3kfb s VAL 55 CO 0.22 0.59 -0.02 0.54 -3.33 0.00 0.00 175.10 173.10 3kfb s VAL 56 N -0.76 0.49 -0.27 2.04 0.11 -0.21 -5.01 120.40 116.78 3kfb s VAL 56 Ca 0.13 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 3kfb s VAL 56 Cb -0.12 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 3kfb s VAL 56 CO 0.03 0.27 0.17 -0.69 -3.33 0.00 0.00 175.10 171.55 3kfb s VAL 57 N 1.74 5.23 0.06 2.04 1.01 -1.26 -2.01 120.40 127.21 3kfb s VAL 57 Ca 0.02 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 3kfb s VAL 57 Cb -0.13 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3kfb s VAL 57 CO -0.05 0.27 0.34 0.28 0.00 0.00 0.00 175.10 175.95 3kfb s THR 58 N 1.62 0.08 -1.15 3.92 -1.32 -0.95 -4.78 115.64 113.05 3kfb s THR 58 Ca 0.07 -0.64 0.16 0.00 -1.21 0.00 0.00 61.69 60.07 3kfb s THR 58 Cb -0.15 -1.01 -0.08 0.00 -1.51 0.00 0.00 72.50 69.75 3kfb s THR 58 CO 0.09 -0.35 0.77 -3.20 -2.21 0.00 0.00 174.62 169.72 3kfb n ASN 59 N 0.38 1.24 -4.67 8.08 2.85 -1.26 -1.96 115.26 119.92 3kfb n ASN 59 Ca -0.18 -1.12 -0.42 0.00 -0.11 0.00 0.00 54.58 52.75 3kfb n ASN 59 Cb 0.60 0.70 -0.03 0.00 1.24 0.00 0.00 39.78 42.30 3kfb n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3kfb s ASP 60 N -2.15 6.80 0.04 1.20 2.15 -1.26 -4.93 116.67 118.52 3kfb s ASP 60 Ca 0.10 2.04 -0.32 0.00 0.43 0.00 0.00 52.55 54.80 3kfb s ASP 60 Cb 0.12 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 40.02 3kfb s ASP 60 CO 0.51 -0.82 1.39 1.23 -0.17 0.00 0.00 175.17 177.32 3kfb h GLY 61 N 9.52 -1.12 0.47 2.66 0.00 -1.93 -2.81 103.07 109.85 3kfb h GLY 61 Ca -0.35 0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.51 3kfb h GLY 61 CO 0.94 -0.41 0.59 -0.24 0.00 0.00 0.00 176.54 177.42 3kfb h VAL 62 N -1.20 0.91 0.00 4.60 3.04 -1.88 -0.94 116.25 120.78 3kfb h VAL 62 Ca -0.11 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.22 3kfb h VAL 62 Cb 0.84 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 3kfb h VAL 62 CO 0.18 0.17 -0.21 0.71 -1.01 0.00 0.00 177.57 177.41 3kfb h THR 63 N 0.93 0.75 0.25 3.17 1.35 -1.96 0.24 112.91 117.65 3kfb h THR 63 Ca 0.47 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 3kfb h THR 63 Cb 0.47 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3kfb h THR 63 CO -0.27 0.20 -0.12 0.40 -0.25 0.00 0.00 175.52 175.49 3kfb h ILE 64 N 0.00 0.76 -0.89 6.82 2.04 -0.92 -2.76 117.51 122.56 3kfb h ILE 64 Ca -0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kfb h ILE 64 Cb 0.50 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3kfb h ILE 64 CO 0.03 0.15 0.47 -0.07 0.00 0.00 0.00 178.15 178.73 3kfb h LEU 65 N -0.77 1.13 -0.20 1.44 3.38 -1.09 -2.97 115.31 116.23 3kfb h LEU 65 Ca -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kfb h LEU 65 Cb 0.50 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kfb h LEU 65 CO 0.06 0.91 0.04 0.03 0.09 0.00 0.00 178.44 179.57 3kfb h ARG 66 N 1.25 0.33 -1.44 1.13 3.08 -0.64 -3.27 114.38 114.82 3kfb h ARG 66 Ca 0.31 -0.09 -0.71 0.00 0.07 0.00 0.00 59.98 59.57 3kfb h ARG 66 Cb 0.05 -0.04 -0.29 0.00 0.08 0.00 0.00 29.97 29.77 3kfb h ARG 66 CO -0.05 0.48 0.80 0.39 -1.07 0.00 0.00 179.97 180.52 3kfb n GLU 67 N -4.75 2.80 -4.03 0.04 1.02 -1.04 -4.84 120.64 109.85 3kfb n GLU 67 Ca -0.04 -3.49 -0.13 0.00 -0.02 0.00 0.00 57.16 53.47 3kfb n GLU 67 Cb 0.19 -2.28 -0.13 0.00 -0.02 0.00 0.00 31.44 29.19 3kfb n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfb s MET 68 N -3.91 0.29 -0.85 3.49 0.23 -1.13 -4.95 119.30 112.48 3kfb s MET 68 Ca 0.58 -0.29 -0.25 0.00 -1.03 0.00 0.00 55.69 54.70 3kfb s MET 68 Cb 0.47 -0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 3kfb s MET 68 CO -0.19 0.04 1.80 -1.12 -2.03 0.00 0.00 175.02 173.53 3kfb s SER 69 N -0.53 5.45 -0.20 -1.18 0.01 -1.26 -4.95 113.70 111.04 3kfb s SER 69 Ca -0.03 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 3kfb s SER 69 Cb -0.04 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3kfb s SER 69 CO -0.00 -2.41 0.09 -0.69 0.41 0.00 0.00 173.24 170.65 3kfb s VAL 70 N 8.76 4.98 -0.01 3.43 1.01 -1.26 -4.99 120.40 132.32 3kfb s VAL 70 Ca 0.63 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.69 3kfb s VAL 70 Cb -0.07 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3kfb s VAL 70 CO 0.04 0.42 0.08 -0.62 0.00 0.00 0.00 175.10 175.02 3kfb n GLU 71 N 3.79 0.54 -2.10 2.72 -0.58 -1.26 -4.88 120.64 118.87 3kfb n GLU 71 Ca -0.16 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.12 3kfb n GLU 71 Cb 0.52 -1.10 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 3kfb n GLU 71 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3kfb s HIS 72 N -2.27 2.12 0.37 -0.32 2.46 -1.26 -4.90 115.29 111.49 3kfb s HIS 72 Ca -0.02 0.49 0.16 0.00 0.47 0.00 0.00 55.06 56.16 3kfb s HIS 72 Cb 0.03 -3.92 1.05 0.00 -0.13 0.00 0.00 32.58 29.60 3kfb s HIS 72 CO 0.17 -3.10 1.75 -1.00 -2.47 0.00 0.00 174.74 170.09 3kfb h PRO 73 N 10.26 0.42 -0.16 2.88 0.13 -1.99 0.45 132.00 143.99 3kfb h PRO 73 Ca -0.35 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 3kfb h PRO 73 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3kfb h PRO 73 CO 0.99 0.28 -0.56 0.00 -0.23 0.00 0.00 178.00 178.47 3kfb h ALA 74 N 1.66 0.72 -0.25 -0.56 0.00 -1.91 -2.97 119.26 115.95 3kfb h ALA 74 Ca 0.63 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kfb h ALA 74 Cb 1.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3kfb h ALA 74 CO -0.37 0.69 -0.01 0.00 0.00 0.00 0.00 179.25 179.57 3kfb h ALA 75 N 1.00 0.34 -0.83 0.00 0.00 -1.19 -3.04 119.26 115.54 3kfb h ALA 75 Ca 0.00 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.91 3kfb h ALA 75 Cb 1.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3kfb h ALA 75 CO 0.10 0.08 0.58 0.87 0.00 0.00 0.00 179.25 180.88 3kfb h LYS 76 N 0.22 0.13 0.00 0.00 1.57 -1.14 -1.75 116.57 115.60 3kfb h LYS 76 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kfb h LYS 76 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kfb h LYS 76 CO 0.01 0.08 -0.42 0.52 -0.57 0.00 0.00 179.45 179.08 3kfb h MET 77 N 0.13 0.00 0.00 3.15 2.86 -1.41 -3.11 114.93 116.55 3kfb h MET 77 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 3kfb h MET 77 Cb 1.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.07 3kfb h MET 77 CO -0.06 0.00 -1.14 -0.11 1.06 0.00 0.00 176.91 176.65 3kfb n LEU 78 N -2.35 0.65 0.11 1.22 7.94 -0.71 -3.74 117.00 120.12 3kfb n LEU 78 Ca 0.04 0.20 -0.02 0.00 -1.11 0.00 0.00 56.01 55.12 3kfb n LEU 78 Cb 0.46 -0.07 0.23 0.00 0.53 0.00 0.00 43.42 44.57 3kfb n LEU 78 CO 0.35 -0.10 0.63 0.40 -1.11 0.00 0.00 177.39 177.56 3kfb h ILE 79 N 0.00 1.32 -0.28 1.96 2.04 -1.35 -2.74 117.51 118.46 3kfb h ILE 79 Ca 0.00 -1.56 0.08 0.00 1.00 0.00 0.00 64.86 64.38 3kfb h ILE 79 Cb 0.93 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3kfb h ILE 79 CO 0.00 0.46 0.30 -0.33 0.00 0.00 0.00 178.15 178.59 3kfb h GLU 80 N 0.16 0.00 -0.24 2.37 4.39 -1.64 0.57 114.58 120.19 3kfb h GLU 80 Ca 0.01 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 3kfb h GLU 80 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3kfb h GLU 80 CO 0.07 0.00 -0.61 0.28 -1.16 0.00 0.00 179.01 177.59 3kfb h VAL 81 N 0.00 1.28 0.14 3.13 2.07 -1.68 -1.11 116.25 120.08 3kfb h VAL 81 Ca 0.13 -1.81 -0.30 0.00 0.82 0.00 0.00 66.70 65.54 3kfb h VAL 81 Cb 0.74 1.74 0.03 0.00 -1.52 0.00 0.00 31.29 32.28 3kfb h VAL 81 CO -0.00 0.58 -1.28 0.00 0.02 0.00 0.00 177.57 176.89 3kfb h ALA 82 N 0.70 -0.02 -0.38 1.67 0.00 -1.41 -2.97 119.26 116.85 3kfb h ALA 82 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 3kfb h ALA 82 Cb 1.21 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3kfb h ALA 82 CO 0.13 0.70 0.12 -0.22 0.00 0.00 0.00 179.25 179.98 3kfb h LYS 83 N 0.25 0.55 -0.44 0.00 3.64 -0.88 -1.74 116.57 117.96 3kfb h LYS 83 Ca -0.20 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3kfb h LYS 83 Cb 1.95 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 3kfb h LYS 83 CO 0.24 0.48 0.00 0.25 -2.27 0.00 0.00 179.45 178.15 3kfb n THR 84 N -4.36 0.57 -0.02 1.00 -2.24 -0.43 -3.29 114.28 105.51 3kfb n THR 84 Ca 0.02 -0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 60.91 3kfb n THR 84 Cb 0.17 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.93 3kfb n THR 84 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3kfb n GLN 85 N 1.24 0.73 0.03 -0.78 -0.06 -0.70 -3.13 117.38 114.70 3kfb n GLN 85 Ca 0.19 0.24 -0.02 0.00 -2.00 0.00 0.00 57.00 55.41 3kfb n GLN 85 Cb 0.53 -1.69 0.23 0.00 -4.06 0.00 0.00 30.24 25.25 3kfb n GLN 85 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 3kfb h GLU 86 N 0.05 0.45 -0.54 3.69 4.11 -1.57 -0.16 114.58 120.61 3kfb h GLU 86 Ca -0.43 -0.16 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 3kfb h GLU 86 Cb 2.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 3kfb h GLU 86 CO 0.06 0.65 0.08 -0.22 0.07 0.00 0.00 179.01 179.65 3kfb h LYS 87 N 0.40 0.86 0.00 1.06 1.63 -1.67 -2.78 116.57 116.07 3kfb h LYS 87 Ca 0.06 -0.20 -0.12 0.00 -0.85 0.00 0.00 60.65 59.54 3kfb h LYS 87 Cb 0.61 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3kfb h LYS 87 CO 0.04 0.81 -1.95 0.39 -3.45 0.00 0.00 179.45 175.29 3kfb n GLU 88 N -4.24 0.82 0.02 1.90 -0.58 -1.18 -4.86 120.64 112.52 3kfb n GLU 88 Ca 0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3kfb n GLU 88 Cb 0.26 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3kfb n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfb n VAL 89 N -2.32 0.33 0.00 2.62 0.31 -0.12 -5.05 118.33 114.10 3kfb n VAL 89 Ca -0.13 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kfb n VAL 89 Cb 0.69 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3kfb n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kfb n GLY 90 N 2.82 2.48 3.26 2.92 0.00 -0.92 -4.15 105.19 111.59 3kfb n GLY 90 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3kfb n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfb s ASP 91 N -0.12 1.96 0.00 1.61 2.15 -1.26 -4.44 116.67 116.57 3kfb s ASP 91 Ca 0.00 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.03 3kfb s ASP 91 Cb 0.00 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 3kfb s ASP 91 CO 0.00 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 3kfb n GLY 92 N -0.02 0.82 0.19 2.66 0.00 -1.26 -4.86 105.19 102.73 3kfb n GLY 92 Ca -0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3kfb n GLY 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kfb h THR 93 N 0.00 1.34 -0.19 2.61 1.35 -1.90 -2.82 112.91 113.30 3kfb h THR 93 Ca 0.00 -2.08 -0.16 0.00 -0.55 0.00 0.00 66.41 63.62 3kfb h THR 93 Cb 0.00 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3kfb h THR 93 CO 0.00 0.64 -0.51 0.74 -0.25 0.00 0.00 175.52 176.14 3kfb h THR 94 N 0.37 1.32 -0.43 6.82 2.02 -1.94 -3.19 112.91 117.89 3kfb h THR 94 Ca -0.04 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.39 3kfb h THR 94 Cb 1.35 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 3kfb h THR 94 CO 0.14 0.54 0.24 0.71 0.37 0.00 0.00 175.52 177.53 3kfb h THR 95 N 0.37 1.13 -0.21 3.16 1.35 -1.97 -1.84 112.91 114.90 3kfb h THR 95 Ca -0.01 -0.31 -0.14 0.00 -0.55 0.00 0.00 66.41 65.40 3kfb h THR 95 Cb 1.13 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3kfb h THR 95 CO 0.11 0.14 -0.45 0.00 -0.25 0.00 0.00 175.52 175.06 3kfb h ALA 96 N 1.69 0.82 0.02 6.62 0.00 -1.52 -1.76 119.26 125.13 3kfb h ALA 96 Ca 0.15 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 3kfb h ALA 96 Cb -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kfb h ALA 96 CO -0.03 0.66 -0.76 0.28 0.00 0.00 0.00 179.25 179.40 3kfb h VAL 97 N 0.42 1.39 -0.24 0.00 2.07 -1.49 -2.61 116.25 115.79 3kfb h VAL 97 Ca 0.03 -2.17 -0.05 0.00 0.82 0.00 0.00 66.70 65.33 3kfb h VAL 97 Cb 0.96 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 3kfb h VAL 97 CO 0.09 0.64 -0.07 0.58 0.02 0.00 0.00 177.57 178.83 3kfb h VAL 98 N 0.02 1.18 -0.10 2.57 2.07 -1.33 0.13 116.25 120.79 3kfb h VAL 98 Ca -0.10 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 3kfb h VAL 98 Cb 1.47 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3kfb h VAL 98 CO 0.15 0.25 -0.22 0.58 0.02 0.00 0.00 177.57 178.35 3kfb h VAL 99 N 0.36 1.39 -0.92 2.57 2.07 -1.38 -2.35 116.25 117.98 3kfb h VAL 99 Ca 0.08 -1.51 0.12 0.00 0.82 0.00 0.00 66.70 66.21 3kfb h VAL 99 Cb 0.35 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 3kfb h VAL 99 CO 0.02 0.44 0.59 0.00 0.02 0.00 0.00 177.57 178.63 3kfb h ALA 100 N 0.51 1.68 -0.21 1.67 0.00 -1.11 -0.51 119.26 121.30 3kfb h ALA 100 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kfb h ALA 100 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kfb h ALA 100 CO 0.05 0.10 0.03 0.78 0.00 0.00 0.00 179.25 180.21 3kfb h GLY 101 N 0.84 0.38 2.00 0.00 0.00 -0.72 -2.78 103.07 102.79 3kfb h GLY 101 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kfb h GLY 101 CO -0.21 0.24 0.00 -2.09 0.00 0.00 0.00 176.54 174.48 3kfb h GLU 102 N 0.15 0.00 -0.00 4.80 4.57 -0.89 -1.41 114.58 121.81 3kfb h GLU 102 Ca 0.06 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.08 3kfb h GLU 102 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3kfb h GLU 102 CO 0.00 0.00 -0.77 -0.07 -1.18 0.00 0.00 179.01 176.99 3kfb h LEU 103 N 0.00 0.03 -0.06 1.64 3.38 -1.05 -2.38 115.31 116.87 3kfb h LEU 103 Ca 0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3kfb h LEU 103 Cb 0.58 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3kfb h LEU 103 CO 0.00 0.79 -0.68 -0.07 0.09 0.00 0.00 178.44 178.57 3kfb h LEU 104 N 0.01 0.71 -0.23 1.67 3.38 -1.06 -2.51 115.31 117.28 3kfb h LEU 104 Ca -0.01 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.28 3kfb h LEU 104 Cb 1.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3kfb h LEU 104 CO 0.10 1.29 0.12 -0.09 0.09 0.00 0.00 178.44 179.96 3kfb h ARG 105 N 0.18 0.25 0.00 1.13 2.43 -1.34 -2.04 114.38 114.98 3kfb h ARG 105 Ca -0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kfb h ARG 105 Cb 1.34 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3kfb h ARG 105 CO 0.14 0.17 0.00 1.63 -1.51 0.00 0.00 179.97 180.39 3kfb n LYS 106 N -4.98 0.16 0.05 0.20 4.76 -0.90 -2.84 118.16 114.62 3kfb n LYS 106 Ca -0.02 0.37 -0.17 0.00 -2.87 0.00 0.00 58.31 55.62 3kfb n LYS 106 Cb 0.05 -1.79 -0.14 0.00 -1.84 0.00 0.00 35.03 31.31 3kfb n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfb h ALA 107 N 2.33 0.33 0.00 7.82 0.00 -0.91 -3.32 119.26 125.51 3kfb h ALA 107 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 3kfb h ALA 107 Cb 0.37 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kfb h ALA 107 CO 0.00 1.19 -0.08 1.05 0.00 0.00 0.00 179.25 181.41 3kfb h GLU 108 N 0.06 0.00 0.00 0.00 4.11 -1.31 -1.84 114.58 115.61 3kfb h GLU 108 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.12 3kfb h GLU 108 Cb 2.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 3kfb h GLU 108 CO 0.15 0.08 -0.20 0.93 0.07 0.00 0.00 179.01 180.04 3kfb h GLU 109 N 0.00 0.00 0.08 1.06 5.08 -1.65 -0.38 114.58 118.78 3kfb h GLU 109 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 3kfb h GLU 109 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3kfb h GLU 109 CO 0.01 0.20 -1.60 -0.07 -1.00 0.00 0.00 179.01 176.55 3kfb h LEU 110 N 0.00 0.28 -0.74 1.33 3.38 -1.56 -3.26 115.31 114.75 3kfb h LEU 110 Ca -0.00 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 3kfb h LEU 110 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3kfb h LEU 110 CO 0.03 1.38 -0.54 -0.07 0.09 0.00 0.00 178.44 179.33 3kfb h LEU 111 N 0.05 0.00 0.00 1.67 3.38 -1.14 -0.76 115.31 118.50 3kfb h LEU 111 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kfb h LEU 111 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 3kfb h LEU 111 CO 0.13 0.54 -0.12 0.47 0.09 0.00 0.00 178.44 179.55 3kfb n ASP 112 N -3.63 0.42 -1.58 -0.43 9.92 -0.17 -2.48 116.55 118.60 3kfb n ASP 112 Ca -0.01 0.41 0.08 0.00 -0.53 0.00 0.00 54.79 54.74 3kfb n ASP 112 Cb 0.60 -0.46 0.35 0.00 -0.64 0.00 0.00 41.12 40.97 3kfb n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kfb n GLN 113 N -1.84 3.79 -1.14 -1.24 6.02 -0.99 -4.95 117.38 117.04 3kfb n GLN 113 Ca 0.06 -2.73 -0.05 0.00 -0.01 0.00 0.00 57.00 54.27 3kfb n GLN 113 Cb 0.38 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 3kfb n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kfb n ASN 114 N 0.95 -4.07 -4.65 1.08 3.02 -1.03 -4.99 115.26 105.57 3kfb n ASN 114 Ca 0.25 0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 54.48 3kfb n ASN 114 Cb 0.90 -1.98 -0.02 0.00 -0.61 0.00 0.00 39.78 38.07 3kfb n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kfb s VAL 115 N -2.00 4.02 0.26 2.41 1.01 -0.33 -4.96 120.40 120.81 3kfb s VAL 115 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 3kfb s VAL 115 Cb 0.00 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 3kfb s VAL 115 CO 0.00 -0.25 1.28 1.57 0.00 0.00 0.00 175.10 177.70 3kfb n HIS 116 N 7.34 1.91 0.01 5.22 -0.00 -1.26 -4.37 115.22 124.07 3kfb n HIS 116 Ca 0.16 0.54 0.17 0.00 0.46 0.00 0.00 57.72 59.05 3kfb n HIS 116 Cb 0.45 -2.39 0.64 0.00 -0.12 0.00 0.00 29.99 28.57 3kfb n HIS 116 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kfb h PRO 117 N 3.32 0.10 -0.04 1.57 0.11 -1.93 -1.29 132.00 133.84 3kfb h PRO 117 Ca -0.44 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 3kfb h PRO 117 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3kfb h PRO 117 CO 0.69 0.07 -0.49 1.79 -0.21 0.00 0.00 178.00 179.85 3kfb h THR 118 N 0.10 1.35 -0.02 -1.15 1.35 -1.90 -1.29 112.91 111.36 3kfb h THR 118 Ca 0.23 -1.70 -0.18 0.00 -0.55 0.00 0.00 66.41 64.21 3kfb h THR 118 Cb 0.78 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 3kfb h THR 118 CO -0.02 0.49 -0.79 0.40 -0.25 0.00 0.00 175.52 175.35 3kfb h ILE 119 N 0.08 1.47 0.09 6.82 1.08 -1.60 -2.26 117.51 123.19 3kfb h ILE 119 Ca 0.00 -2.43 -0.00 0.00 -0.39 0.00 0.00 64.86 62.03 3kfb h ILE 119 Cb 0.90 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 3kfb h ILE 119 CO 0.07 0.71 -0.04 0.58 -0.69 0.00 0.00 178.15 178.78 3kfb h VAL 120 N 0.12 1.16 0.00 1.67 2.07 -1.28 -2.51 116.25 117.48 3kfb h VAL 120 Ca -0.03 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 3kfb h VAL 120 Cb 1.38 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3kfb h VAL 120 CO 0.12 0.26 -0.09 1.62 0.02 0.00 0.00 177.57 179.50 3kfb h VAL 121 N -0.63 0.41 -0.05 2.57 3.04 -1.30 -0.40 116.25 119.88 3kfb h VAL 121 Ca -0.01 -0.46 -0.04 0.00 -1.01 0.00 0.00 66.70 65.18 3kfb h VAL 121 Cb 0.51 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3kfb h VAL 121 CO 0.02 0.08 -0.12 0.50 -1.01 0.00 0.00 177.57 177.04 3kfb h LYS 122 N 0.00 0.17 -0.14 4.17 3.64 -1.29 -2.83 116.57 120.29 3kfb h LYS 122 Ca -0.00 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 3kfb h LYS 122 Cb 0.31 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3kfb h LYS 122 CO 0.01 0.72 -0.40 0.78 -2.27 0.00 0.00 179.45 178.29 3kfb h GLY 123 N -0.35 0.33 1.41 5.01 0.00 -1.20 -1.98 103.07 106.29 3kfb h GLY 123 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3kfb h GLY 123 CO 0.03 0.29 0.03 -0.97 0.00 0.00 0.00 176.54 175.91 3kfb h TYR 124 N 0.26 0.76 0.13 5.60 0.99 -1.10 -1.24 116.97 122.36 3kfb h TYR 124 Ca 0.03 -0.09 -0.28 0.00 2.00 0.00 0.00 58.73 60.39 3kfb h TYR 124 Cb 0.81 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 38.33 3kfb h TYR 124 CO 0.02 0.70 -1.29 0.37 -0.00 0.00 0.00 178.16 177.96 3kfb h GLN 125 N 0.69 0.27 -0.02 4.88 4.15 -1.36 -2.05 115.11 121.66 3kfb h GLN 125 Ca 0.14 -0.46 -0.07 0.00 0.77 0.00 0.00 58.65 59.04 3kfb h GLN 125 Cb 0.38 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3kfb h GLN 125 CO 0.01 1.20 -0.31 0.00 -1.93 0.00 0.00 178.83 177.80 3kfb h ALA 126 N 0.57 1.44 0.20 3.38 0.00 -1.22 -2.01 119.26 121.62 3kfb h ALA 126 Ca -0.15 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 3kfb h ALA 126 Cb 1.98 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.73 3kfb h ALA 126 CO 0.20 0.41 -1.38 0.00 0.00 0.00 0.00 179.25 178.48 3kfb h ALA 127 N 1.65 -0.04 0.00 0.00 0.00 -1.22 -3.02 119.26 116.64 3kfb h ALA 127 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 3kfb h ALA 127 Cb 0.57 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kfb h ALA 127 CO 0.04 0.83 -0.25 0.00 0.00 0.00 0.00 179.25 179.87 3kfb h ALA 128 N 0.35 0.96 0.28 0.00 0.00 -1.24 -0.22 119.26 119.38 3kfb h ALA 128 Ca -0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3kfb h ALA 128 Cb 2.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3kfb h ALA 128 CO 0.24 0.31 -0.13 0.37 0.00 0.00 0.00 179.25 180.04 3kfb h GLN 129 N 0.00 -0.36 -0.35 0.00 4.15 -1.45 -2.95 115.11 114.15 3kfb h GLN 129 Ca -0.00 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kfb h GLN 129 Cb 0.86 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 3kfb h GLN 129 CO 0.03 -0.06 0.22 -0.22 -1.93 0.00 0.00 178.83 176.87 3kfb h LYS 130 N -0.67 0.46 -0.08 1.69 1.63 -1.38 -2.41 116.57 115.82 3kfb h LYS 130 Ca -0.04 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 3kfb h LYS 130 Cb 0.47 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3kfb h LYS 130 CO 0.06 0.32 -0.36 0.00 -3.45 0.00 0.00 179.45 176.03 3kfb h ALA 131 N 1.76 1.26 -0.14 5.00 0.00 -1.02 -0.63 119.26 125.49 3kfb h ALA 131 Ca 0.13 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 3kfb h ALA 131 Cb -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kfb h ALA 131 CO -0.03 0.52 -0.65 1.96 0.00 0.00 0.00 179.25 181.05 3kfb h GLN 132 N 0.13 0.69 0.00 0.00 1.08 -1.26 -2.10 115.11 113.66 3kfb h GLN 132 Ca 0.02 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 3kfb h GLN 132 Cb 0.70 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3kfb h GLN 132 CO 0.05 1.17 -0.29 -0.85 -0.95 0.00 0.00 178.83 177.96 3kfb n GLU 133 N -4.06 0.21 0.04 1.46 0.28 -1.11 -2.76 120.64 114.70 3kfb n GLU 133 Ca -0.08 0.12 -0.07 0.00 -0.16 0.00 0.00 57.16 56.98 3kfb n GLU 133 Cb 0.68 -1.69 -0.12 0.00 1.43 0.00 0.00 31.44 31.74 3kfb n GLU 133 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3kfb h LEU 134 N 0.00 0.00 -0.79 -1.84 3.38 -1.14 -3.33 115.31 111.59 3kfb h LEU 134 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kfb h LEU 134 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kfb h LEU 134 CO 0.00 0.96 -0.39 -0.07 0.09 0.00 0.00 178.44 179.03 3kfb h LEU 135 N 0.00 0.00 -0.68 1.67 3.38 -1.27 -3.07 115.31 115.33 3kfb h LEU 135 Ca -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3kfb h LEU 135 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3kfb h LEU 135 CO 0.11 0.39 -0.43 0.11 0.09 0.00 0.00 178.44 178.71 3kfb h LYS 136 N 0.00 0.51 -0.00 1.13 1.57 -1.62 -2.82 116.57 115.34 3kfb h LYS 136 Ca -0.00 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 3kfb h LYS 136 Cb 0.97 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3kfb h LYS 136 CO 0.05 0.85 -0.89 1.79 -0.57 0.00 0.00 179.45 180.68 3kfb h THR 137 N 0.42 1.46 -0.17 -0.16 1.35 -1.66 -3.28 112.91 110.87 3kfb h THR 137 Ca 0.03 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 3kfb h THR 137 Cb 0.93 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3kfb h THR 137 CO 0.08 0.75 0.00 2.30 -0.25 0.00 0.00 175.52 178.40 3kfb n ILE 138 N -3.69 0.21 -3.04 6.82 -5.35 -1.17 -4.85 119.36 108.29 3kfb n ILE 138 Ca -0.04 -0.39 -0.40 0.00 -0.27 0.00 0.00 62.75 61.64 3kfb n ILE 138 Cb 0.81 0.52 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 3kfb n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kfb s ALA 139 N -1.79 3.54 0.36 -1.28 0.00 -1.07 -4.86 121.76 116.67 3kfb s ALA 139 Ca 0.34 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 3kfb s ALA 139 Cb 0.19 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 3kfb s ALA 139 CO 0.28 -0.59 1.20 0.00 0.00 0.00 0.00 175.76 176.65 3kfb s GLU 141 N -2.00 4.31 -0.02 0.00 0.41 -1.26 -1.14 118.70 119.00 3kfb s GLU 141 Ca 0.53 0.52 0.02 0.00 -0.41 0.00 0.00 54.97 55.63 3kfb s GLU 141 Cb -0.34 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 3kfb s GLU 141 CO 0.43 0.04 -0.08 0.08 -0.49 0.00 0.00 175.26 175.24 3kfb s VAL 142 N 0.98 0.70 0.28 2.63 1.01 0.39 -4.98 120.40 121.42 3kfb s VAL 142 Ca 0.28 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3kfb s VAL 142 Cb -0.16 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 3kfb s VAL 142 CO 0.11 0.22 1.23 -0.83 0.00 0.00 0.00 175.10 175.83 3kfb s GLY 143 N 0.09 2.90 0.09 4.51 0.00 -1.26 -4.52 107.32 109.13 3kfb s GLY 143 Ca -0.01 1.10 0.06 0.00 0.00 0.00 0.00 44.72 45.87 3kfb s GLY 143 CO 0.00 1.81 1.20 0.00 0.00 0.00 0.00 173.10 176.11 3kfb n ALA 144 N 1.37 1.03 -1.36 3.20 0.00 -1.26 -2.03 120.51 121.46 3kfb n ALA 144 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3kfb n ALA 144 Cb 0.43 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.93 3kfb n ALA 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfb n GLN 145 N -1.71 1.25 -2.58 0.00 6.02 -1.26 -4.69 117.38 114.41 3kfb n GLN 145 Ca -0.00 -2.70 -0.42 0.00 -0.01 0.00 0.00 57.00 53.86 3kfb n GLN 145 Cb 0.02 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 3kfb n GLN 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kfb s ASP 146 N -2.85 6.73 0.37 1.08 3.68 -0.86 -4.85 116.67 119.98 3kfb s ASP 146 Ca 0.32 -2.14 0.05 0.00 2.13 0.00 0.00 52.55 52.91 3kfb s ASP 146 Cb 0.30 -2.57 0.73 0.00 -1.45 0.00 0.00 42.92 39.92 3kfb s ASP 146 CO -0.01 -1.27 2.01 0.11 0.13 0.00 0.00 175.17 176.13 3kfb h LYS 147 N 8.28 0.66 -0.16 4.34 1.57 -1.92 0.13 116.57 129.47 3kfb h LYS 147 Ca 0.37 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 3kfb h LYS 147 Cb 0.92 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3kfb h LYS 147 CO 1.45 0.47 -0.29 1.05 -0.57 0.00 0.00 179.45 181.55 3kfb h GLU 148 N 0.67 0.30 0.20 3.15 4.11 -1.99 -0.62 114.58 120.40 3kfb h GLU 148 Ca 0.18 -0.11 -0.27 0.00 0.07 0.00 0.00 59.36 59.23 3kfb h GLU 148 Cb -0.01 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.25 3kfb h GLU 148 CO -0.03 0.57 -1.18 0.82 0.07 0.00 0.00 179.01 179.26 3kfb h ILE 149 N 0.27 1.37 -0.73 -1.06 2.04 -1.33 -2.82 117.51 115.25 3kfb h ILE 149 Ca 0.04 -2.61 0.08 0.00 1.00 0.00 0.00 64.86 63.37 3kfb h ILE 149 Cb 0.66 3.11 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 3kfb h ILE 149 CO 0.05 0.77 0.48 -0.07 0.00 0.00 0.00 178.15 179.38 3kfb h LEU 150 N -0.10 0.61 -0.49 1.44 3.38 -0.84 -1.23 115.31 118.08 3kfb h LEU 150 Ca -0.21 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 3kfb h LEU 150 Cb 1.92 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3kfb h LEU 150 CO 0.21 0.38 -0.50 0.74 0.09 0.00 0.00 178.44 179.35 3kfb h THR 151 N 0.68 1.30 -0.44 0.22 2.02 -1.14 -0.47 112.91 115.09 3kfb h THR 151 Ca 0.33 -1.72 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 3kfb h THR 151 Cb 0.39 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3kfb h THR 151 CO -0.12 0.54 0.02 0.11 0.37 0.00 0.00 175.52 176.45 3kfb h LYS 152 N 0.52 0.70 -0.30 6.66 1.57 -1.20 0.34 116.57 124.86 3kfb h LYS 152 Ca 0.02 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 3kfb h LYS 152 Cb 1.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3kfb h LYS 152 CO 0.10 0.70 -0.45 0.82 -0.57 0.00 0.00 179.45 180.05 3kfb h ILE 153 N 0.66 1.29 -0.13 1.86 2.04 -0.82 -0.17 117.51 122.25 3kfb h ILE 153 Ca 0.14 -1.64 -0.12 0.00 1.00 0.00 0.00 64.86 64.24 3kfb h ILE 153 Cb 0.38 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3kfb h ILE 153 CO 0.01 0.53 -0.45 0.00 0.00 0.00 0.00 178.15 178.24 3kfb h ALA 154 N 0.86 0.99 -0.03 1.87 0.00 -1.01 -2.94 119.26 119.00 3kfb h ALA 154 Ca 0.04 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3kfb h ALA 154 Cb 1.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kfb h ALA 154 CO 0.10 0.63 -0.84 1.98 0.00 0.00 0.00 179.25 181.12 3kfb h MET 155 N 0.26 0.37 0.00 0.00 -1.53 -0.65 -2.69 114.93 110.68 3kfb h MET 155 Ca 0.02 -0.35 -0.04 0.00 -3.44 0.00 0.00 59.70 55.88 3kfb h MET 155 Cb 0.91 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 32.04 3kfb h MET 155 CO 0.07 1.02 -0.21 1.15 0.14 0.00 0.00 176.91 179.08 3kfb h THR 156 N 0.23 0.51 0.18 -0.77 2.02 -1.04 -2.62 112.91 111.42 3kfb h THR 156 Ca -0.05 -1.10 -0.25 0.00 0.77 0.00 0.00 66.41 65.78 3kfb h THR 156 Cb 1.45 1.77 0.03 0.00 -1.74 0.00 0.00 68.15 69.65 3kfb h THR 156 CO 0.14 0.21 -1.09 -1.28 0.37 0.00 0.00 175.52 173.87 3kfb h SER 157 N 0.00 0.65 -0.54 4.18 0.87 -1.41 -3.33 113.55 113.98 3kfb h SER 157 Ca -0.00 -0.93 -0.08 0.00 -1.23 0.00 0.00 61.79 59.55 3kfb h SER 157 Cb 0.75 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 3kfb h SER 157 CO 0.03 1.52 0.02 0.40 -0.53 0.00 0.00 176.83 178.28 3kfb h ILE 158 N -0.12 1.26 -4.06 2.23 2.04 -1.47 -3.39 117.51 114.00 3kfb h ILE 158 Ca -0.19 -1.07 -0.52 0.00 1.00 0.00 0.00 64.86 64.09 3kfb h ILE 158 Cb 1.85 0.89 0.09 0.00 -0.74 0.00 0.00 36.82 38.91 3kfb h ILE 158 CO 0.21 0.38 0.49 -0.89 0.00 0.00 0.00 178.15 178.33 3kfb s THR 159 N -5.06 2.82 0.00 -0.27 2.01 -0.99 -2.77 115.64 111.38 3kfb s THR 159 Ca -0.12 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3kfb s THR 159 Cb 0.12 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3kfb s THR 159 CO 0.83 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 3kfb n GLY 160 N 0.45 2.71 0.15 4.40 0.00 -1.26 -4.61 105.19 107.02 3kfb n GLY 160 Ca 0.11 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3kfb n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kfb n LYS 161 N 0.00 0.63 0.00 1.61 5.02 -1.11 -4.20 118.16 120.10 3kfb n LYS 161 Ca 0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3kfb n LYS 161 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3kfb n LYS 161 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfb n GLY 162 N 1.34 4.49 0.26 0.72 0.00 -1.23 -4.87 105.19 105.91 3kfb n GLY 162 Ca 0.12 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 45.09 3kfb n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb h ALA 163 N 0.00 1.92 0.00 4.61 0.00 -1.86 -2.93 119.26 121.00 3kfb h ALA 163 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kfb h ALA 163 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kfb h ALA 163 CO 0.00 0.02 -0.21 1.05 0.00 0.00 0.00 179.25 180.10 3kfb h GLU 164 N 0.00 0.00 0.00 0.00 9.09 -1.94 -2.70 114.58 119.03 3kfb h GLU 164 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 3kfb h GLU 164 Cb 0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 3kfb h GLU 164 CO 0.00 0.21 -0.78 0.87 0.05 0.00 0.00 179.01 179.37 3kfb h LYS 165 N 0.00 0.00 -4.37 1.06 1.57 -1.84 -3.40 116.57 109.58 3kfb h LYS 165 Ca -0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kfb h LYS 165 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3kfb h LYS 165 CO 0.03 0.78 2.65 0.00 -0.57 0.00 0.00 179.45 182.34 3kfb n ALA 166 N -2.32 4.36 -2.23 3.86 0.00 -1.02 -4.94 120.51 118.21 3kfb n ALA 166 Ca 0.00 -3.61 -0.38 0.00 0.00 0.00 0.00 53.44 49.45 3kfb n ALA 166 Cb 0.82 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.62 3kfb n ALA 166 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kfb s LYS 167 N 4.14 4.24 0.17 0.00 2.20 -1.26 -4.98 119.74 124.24 3kfb s LYS 167 Ca 0.53 0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 56.74 3kfb s LYS 167 Cb 0.13 -3.21 0.09 0.00 -1.51 0.00 0.00 37.83 33.33 3kfb s LYS 167 CO 0.01 0.61 1.65 0.93 -0.36 0.00 0.00 175.35 178.20 3kfb h GLU 168 N 4.41 -0.06 0.00 4.03 4.39 -1.99 -2.71 114.58 122.65 3kfb h GLU 168 Ca -0.49 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kfb h GLU 168 Cb 1.21 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3kfb h GLU 168 CO 0.64 -0.04 -0.01 0.87 -1.16 0.00 0.00 179.01 179.31 3kfb h LYS 169 N -0.07 0.00 0.22 2.33 1.57 -2.00 -2.71 116.57 115.91 3kfb h LYS 169 Ca 0.19 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.64 3kfb h LYS 169 Cb 0.35 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.70 3kfb h LYS 169 CO -0.42 0.01 -1.42 1.25 -0.57 0.00 0.00 179.45 178.29 3kfb h LEU 170 N 0.00 0.87 -0.87 2.94 5.85 -1.88 -2.93 115.31 119.29 3kfb h LEU 170 Ca -0.00 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.78 3kfb h LEU 170 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3kfb h LEU 170 CO 0.00 1.69 0.32 0.00 -0.34 0.00 0.00 178.44 180.11 3kfb h ALA 171 N 0.19 1.11 -0.69 1.25 0.00 -1.43 -1.73 119.26 117.95 3kfb h ALA 171 Ca -0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3kfb h ALA 171 Cb 2.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3kfb h ALA 171 CO 0.27 0.64 0.20 0.93 0.00 0.00 0.00 179.25 181.30 3kfb h GLU 172 N 1.12 1.08 -0.73 0.00 5.08 -1.60 -1.43 114.58 118.09 3kfb h GLU 172 Ca 0.26 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3kfb h GLU 172 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3kfb h GLU 172 CO -0.02 0.93 0.32 0.82 -1.00 0.00 0.00 179.01 180.06 3kfb h ILE 173 N 1.03 1.25 -0.20 3.13 2.04 -1.30 -2.27 117.51 121.20 3kfb h ILE 173 Ca 0.22 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 3kfb h ILE 173 Cb 0.31 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3kfb h ILE 173 CO -0.01 0.30 -0.13 0.40 0.00 0.00 0.00 178.15 178.72 3kfb h ILE 174 N 1.04 1.32 -0.65 -0.67 2.04 -1.00 -2.08 117.51 117.50 3kfb h ILE 174 Ca 0.25 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3kfb h ILE 174 Cb 0.17 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3kfb h ILE 174 CO -0.03 0.37 0.38 0.58 0.00 0.00 0.00 178.15 179.45 3kfb h VAL 175 N 0.12 1.19 0.00 1.67 2.07 -1.26 -0.81 116.25 119.22 3kfb h VAL 175 Ca 0.04 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 3kfb h VAL 175 Cb 0.64 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3kfb h VAL 175 CO 0.04 0.20 -0.56 -0.08 0.02 0.00 0.00 177.57 177.18 3kfb h GLU 176 N 0.89 0.00 0.14 1.57 4.81 -1.27 -1.71 114.58 119.01 3kfb h GLU 176 Ca 0.23 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.16 3kfb h GLU 176 Cb -0.02 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.39 3kfb h GLU 176 CO -0.04 0.56 -1.28 0.00 -0.73 0.00 0.00 179.01 177.51 3kfb h ALA 177 N 1.44 -0.03 -0.11 2.92 0.00 -0.70 -3.09 119.26 119.70 3kfb h ALA 177 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 53.96 3kfb h ALA 177 Cb 1.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kfb h ALA 177 CO 0.07 0.69 -0.60 0.28 0.00 0.00 0.00 179.25 179.70 3kfb h VAL 178 N 0.26 1.36 0.00 0.00 2.07 -1.16 -2.90 116.25 115.88 3kfb h VAL 178 Ca -0.20 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 3kfb h VAL 178 Cb 1.96 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 3kfb h VAL 178 CO 0.24 0.58 -0.23 0.28 0.02 0.00 0.00 177.57 178.46 3kfb h SER 179 N 0.27 0.00 0.32 0.57 0.02 -1.40 -3.19 113.55 110.15 3kfb h SER 179 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 3kfb h SER 179 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3kfb h SER 179 CO 0.10 0.23 -0.91 0.00 -1.14 0.00 0.00 176.83 175.11 3kfb h ALA 180 N 1.77 0.40 -0.41 3.77 0.00 -1.42 -3.31 119.26 120.06 3kfb h ALA 180 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kfb h ALA 180 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kfb h ALA 180 CO 0.03 0.81 0.00 1.33 0.00 0.00 0.00 179.25 181.42 3kfb n VAL 181 N -3.76 0.70 -2.27 0.00 0.24 -1.20 -4.61 118.33 107.42 3kfb n VAL 181 Ca -0.06 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.34 61.22 3kfb n VAL 181 Cb 0.81 0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 33.35 3kfb n VAL 181 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kfb s VAL 182 N -1.52 3.99 -0.47 3.34 1.01 -1.25 -4.42 120.40 121.09 3kfb s VAL 182 Ca 0.28 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 3kfb s VAL 182 Cb 0.16 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.71 3kfb s VAL 182 CO 0.18 -0.22 0.88 1.51 0.00 0.00 0.00 175.10 177.45 3kfb s ASP 183 N 2.89 6.45 -0.07 3.32 -4.77 -0.87 -4.94 116.67 118.68 3kfb s ASP 183 Ca 0.62 -0.02 -0.30 0.00 -3.30 0.00 0.00 52.55 49.55 3kfb s ASP 183 Cb -0.24 -2.43 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 3kfb s ASP 183 CO 0.22 -1.03 1.31 -1.81 0.70 0.00 0.00 175.17 174.56 3kfb s ASP 184 N 2.30 6.93 -0.06 2.11 1.01 -1.26 -1.66 116.67 126.05 3kfb s ASP 184 Ca 0.34 1.90 0.03 0.00 0.71 0.00 0.00 52.55 55.53 3kfb s ASP 184 Cb -0.11 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3kfb s ASP 184 CO 0.24 -0.70 -0.14 -1.61 0.21 0.00 0.00 175.17 173.18 3kfb s GLU 185 N 2.78 2.62 -0.07 8.23 2.02 -1.26 -5.04 118.70 127.98 3kfb s GLU 185 Ca 0.59 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.92 3kfb s GLU 185 Cb -0.26 -2.42 0.08 0.00 0.10 0.00 0.00 34.13 31.63 3kfb s GLU 185 CO 0.22 0.58 0.82 0.41 0.02 0.00 0.00 175.26 177.30 3kfb n GLY 186 N 2.44 0.41 3.94 -1.39 0.00 -0.66 -5.15 105.19 104.77 3kfb n GLY 186 Ca -0.17 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3kfb n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfb s LYS 187 N 0.03 3.22 -0.20 1.61 -0.14 -1.16 -4.69 119.74 118.40 3kfb s LYS 187 Ca 0.02 -0.24 -0.02 0.00 -1.36 0.00 0.00 55.97 54.36 3kfb s LYS 187 Cb 0.09 -2.49 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 3kfb s LYS 187 CO -0.03 -0.25 -0.08 0.08 -0.76 0.00 0.00 175.35 174.31 3kfb s VAL 188 N -2.62 3.08 -0.35 3.17 1.01 -1.26 -2.05 120.40 121.38 3kfb s VAL 188 Ca 0.47 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3kfb s VAL 188 Cb -0.10 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kfb s VAL 188 CO 0.40 0.46 0.61 -0.62 0.00 0.00 0.00 175.10 175.95 3kfb s ASP 189 N 1.31 6.42 0.53 3.32 3.68 -1.26 -4.94 116.67 125.72 3kfb s ASP 189 Ca 0.04 0.17 0.27 0.00 2.13 0.00 0.00 52.55 55.16 3kfb s ASP 189 Cb -0.14 -2.32 1.49 0.00 -1.45 0.00 0.00 42.92 40.50 3kfb s ASP 189 CO -0.04 -0.56 2.09 0.11 0.13 0.00 0.00 175.17 176.91 3kfb h LYS 190 N 8.41 0.00 0.00 4.34 6.56 -1.96 -2.40 116.57 131.52 3kfb h LYS 190 Ca -0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 3kfb h LYS 190 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3kfb h LYS 190 CO 0.82 0.10 0.00 -0.25 -2.06 0.00 0.00 179.45 178.06 3kfb n ASP 191 N -3.68 0.00 0.16 0.86 8.00 -1.26 -3.02 116.55 117.61 3kfb n ASP 191 Ca -0.02 0.32 0.11 0.00 0.71 0.00 0.00 54.79 55.91 3kfb n ASP 191 Cb 0.22 -0.44 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 3kfb n ASP 191 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kfb h LEU 192 N 0.00 0.00 -8.04 0.64 3.38 -1.79 -3.41 115.31 106.09 3kfb h LEU 192 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 3kfb h LEU 192 Cb 0.39 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.93 3kfb h LEU 192 CO 0.00 0.06 0.18 -0.63 0.09 0.00 0.00 178.44 178.14 3kfb s ILE 193 N -3.24 5.05 -0.07 1.22 1.01 -1.17 -1.81 121.20 122.19 3kfb s ILE 193 Ca 0.03 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 3kfb s ILE 193 Cb 0.07 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 3kfb s ILE 193 CO 0.73 -1.13 1.26 -0.75 0.00 0.00 0.00 174.94 175.05 3kfb s LYS 194 N 1.93 4.31 -0.30 2.79 2.20 0.11 -4.86 119.74 125.92 3kfb s LYS 194 Ca 0.15 1.74 -0.09 0.00 -0.36 0.00 0.00 55.97 57.41 3kfb s LYS 194 Cb -0.18 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 3kfb s LYS 194 CO -0.00 -0.54 0.14 0.42 -0.36 0.00 0.00 175.35 175.00 3kfb s ILE 195 N 2.57 4.56 -0.07 5.43 1.01 -1.26 0.33 121.20 133.77 3kfb s ILE 195 Ca 0.58 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.90 3kfb s ILE 195 Cb -0.25 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3kfb s ILE 195 CO 0.21 0.13 -0.13 -0.70 0.00 0.00 0.00 174.94 174.46 3kfb s GLU 196 N 1.62 2.75 -0.32 2.79 2.56 -0.52 -4.98 118.70 122.60 3kfb s GLU 196 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 54.97 54.38 3kfb s GLU 196 Cb -0.17 -2.48 0.08 0.00 2.00 0.00 0.00 34.13 33.57 3kfb s GLU 196 CO 0.06 0.54 0.02 0.15 -0.56 0.00 0.00 175.26 175.46 3kfb s LYS 197 N -0.50 1.87 0.15 4.30 1.02 -1.26 -0.50 119.74 124.83 3kfb s LYS 197 Ca 0.07 -1.65 0.08 0.00 0.02 0.00 0.00 55.97 54.49 3kfb s LYS 197 Cb -0.12 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3kfb s LYS 197 CO 0.02 -0.81 -0.19 0.15 -0.92 0.00 0.00 175.35 173.60 3kfb s LYS 198 N 1.03 1.24 0.00 1.68 -0.14 -1.12 -5.04 119.74 117.40 3kfb s LYS 198 Ca 0.03 -1.36 0.00 0.00 -1.36 0.00 0.00 55.97 53.28 3kfb s LYS 198 Cb -0.20 -1.34 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 3kfb s LYS 198 CO -0.06 0.28 0.00 -1.13 -0.76 0.00 0.00 175.35 173.68 3kfb n SER 199 N 0.45 0.00 0.00 2.83 3.41 -1.26 -3.63 113.62 115.41 3kfb n SER 199 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3kfb n SER 199 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3kfb n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kfb n GLY 200 N 2.51 1.47 3.39 5.00 0.00 -1.23 -3.87 105.19 112.46 3kfb n GLY 200 Ca 0.00 -2.02 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3kfb n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 201 N -1.97 3.87 0.00 4.61 0.00 -1.26 -3.34 121.76 123.66 3kfb s ALA 201 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 48.79 3kfb s ALA 201 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3kfb s ALA 201 CO 0.00 -2.60 0.00 0.45 0.00 0.00 0.00 175.76 173.61 3kfb n SER 202 N 5.01 0.00 0.00 0.00 2.88 -1.26 -4.79 113.62 115.46 3kfb n SER 202 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3kfb n SER 202 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3kfb n SER 202 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kfb n ILE 203 N 0.00 0.00 0.85 2.46 5.41 -0.47 -4.41 119.36 123.19 3kfb n ILE 203 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3kfb n ILE 203 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 3kfb n ILE 203 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kfb n ASP 204 N 0.15 0.87 -1.27 4.38 8.00 -1.26 -4.19 116.55 123.23 3kfb n ASP 204 Ca 0.00 -0.90 0.08 0.00 0.71 0.00 0.00 54.79 54.68 3kfb n ASP 204 Cb 0.00 1.04 0.28 0.00 -0.02 0.00 0.00 41.12 42.42 3kfb n ASP 204 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kfb n ASP 205 N -1.48 3.72 -4.68 -2.24 9.92 -1.26 -4.88 116.55 115.65 3kfb n ASP 205 Ca 0.03 -2.29 -0.42 0.00 -0.53 0.00 0.00 54.79 51.58 3kfb n ASP 205 Cb 0.30 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 3kfb n ASP 205 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3kfb s THR 206 N -1.69 4.20 0.19 -3.53 -4.23 -1.26 -4.67 115.64 104.65 3kfb s THR 206 Ca 0.40 1.50 0.09 0.00 -1.18 0.00 0.00 61.69 62.50 3kfb s THR 206 Cb 0.25 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3kfb s THR 206 CO 0.21 -0.05 -0.19 -1.83 -0.54 0.00 0.00 174.62 172.22 3kfb s GLU 207 N 2.70 1.35 -0.23 3.99 -1.05 -0.98 -4.98 118.70 119.49 3kfb s GLU 207 Ca 0.57 -1.48 -0.19 0.00 -0.15 0.00 0.00 54.97 53.71 3kfb s GLU 207 Cb -0.24 -1.41 -0.03 0.00 -0.44 0.00 0.00 34.13 32.01 3kfb s GLU 207 CO 0.20 0.28 0.57 -1.17 0.95 0.00 0.00 175.26 176.09 3kfb s LEU 208 N -2.84 4.09 -0.29 1.83 2.96 -1.26 -1.61 118.68 121.56 3kfb s LEU 208 Ca 0.19 0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 54.66 3kfb s LEU 208 Cb -0.05 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 3kfb s LEU 208 CO 0.08 -0.28 0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 3kfb s ILE 209 N 2.13 4.88 -1.39 6.68 1.01 0.32 -4.99 121.20 129.85 3kfb s ILE 209 Ca 0.24 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 3kfb s ILE 209 Cb -0.16 -3.39 0.08 0.00 0.01 0.00 0.00 42.46 39.00 3kfb s ILE 209 CO 0.09 0.17 2.05 0.29 0.00 0.00 0.00 174.94 177.55 3kfb n LYS 210 N 5.02 3.09 -0.42 2.79 5.02 -1.26 -1.61 118.16 130.78 3kfb n LYS 210 Ca -0.14 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 3kfb n LYS 210 Cb 0.51 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 3kfb n LYS 210 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfb n GLY 211 N 3.97 -0.76 3.16 0.72 0.00 -1.26 -1.76 105.19 109.26 3kfb n GLY 211 Ca 0.48 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3kfb n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfb s VAL 212 N -3.86 1.02 -0.30 1.61 1.01 -0.42 -2.81 120.40 116.65 3kfb s VAL 212 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 3kfb s VAL 212 Cb 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kfb s VAL 212 CO 0.00 -0.30 0.01 -0.22 0.00 0.00 0.00 175.10 174.59 3kfb s LEU 213 N -1.85 3.85 -0.25 3.92 2.96 -1.26 -2.00 118.68 124.06 3kfb s LEU 213 Ca -0.02 -1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 52.63 3kfb s LEU 213 Cb -0.09 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3kfb s LEU 213 CO 0.02 -0.25 0.25 -0.69 -1.32 0.00 0.00 176.35 174.36 3kfb s VAL 214 N 1.31 5.28 -0.10 1.68 1.01 -0.88 -4.98 120.40 123.73 3kfb s VAL 214 Ca -0.03 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 3kfb s VAL 214 Cb -0.19 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.42 3kfb s VAL 214 CO -0.01 0.27 2.75 -0.67 0.00 0.00 0.00 175.10 177.45 3kfb n ASP 215 N 4.68 4.03 -4.21 3.32 2.03 -1.26 -2.13 116.55 123.02 3kfb n ASP 215 Ca -0.12 -2.23 -0.12 0.00 0.52 0.00 0.00 54.79 52.83 3kfb n ASP 215 Cb 0.52 -1.05 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 3kfb n ASP 215 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3kfb s LYS 216 N 1.66 1.11 0.47 -0.67 2.36 -1.26 -5.02 119.74 118.38 3kfb s LYS 216 Ca 0.49 -1.55 0.05 0.00 -2.55 0.00 0.00 55.97 52.41 3kfb s LYS 216 Cb 0.22 -0.00 -0.02 0.00 -1.05 0.00 0.00 37.83 36.98 3kfb s LYS 216 CO -0.00 -0.24 0.20 -1.21 1.55 0.00 0.00 175.35 175.64 3kfb s GLU 217 N -4.02 2.22 0.20 4.03 2.02 -1.26 -3.23 118.70 118.66 3kfb s GLU 217 Ca 0.28 -2.03 -0.31 0.00 0.02 0.00 0.00 54.97 52.94 3kfb s GLU 217 Cb 0.07 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.30 3kfb s GLU 217 CO 0.06 -0.31 1.51 -0.98 0.02 0.00 0.00 175.26 175.56 3kfb s ARG 218 N -4.00 4.23 0.39 1.61 1.70 -1.26 -4.63 118.95 116.99 3kfb s ARG 218 Ca 0.31 2.34 0.07 0.00 -0.47 0.00 0.00 55.73 57.97 3kfb s ARG 218 Cb 0.02 -3.14 0.79 0.00 -0.57 0.00 0.00 34.95 32.05 3kfb s ARG 218 CO 0.18 -0.53 1.99 -0.24 -1.08 0.00 0.00 175.30 175.62 3kfb h VAL 219 N 3.82 1.14 -3.99 4.99 3.04 -1.34 -3.41 116.25 120.50 3kfb h VAL 219 Ca -0.44 -0.41 -0.61 0.00 -1.01 0.00 0.00 66.70 64.23 3kfb h VAL 219 Cb 1.21 0.70 -0.31 0.00 -2.01 0.00 0.00 31.29 30.88 3kfb h VAL 219 CO 0.86 0.16 -0.86 -0.55 -1.01 0.00 0.00 177.57 176.17 3kfb s SER 220 N -6.73 2.51 0.43 3.17 0.15 -1.26 -5.02 113.70 106.95 3kfb s SER 220 Ca -0.08 -0.41 0.30 0.00 0.70 0.00 0.00 55.95 56.46 3kfb s SER 220 Cb 0.17 -0.66 1.40 0.00 -1.71 0.00 0.00 66.02 65.22 3kfb s SER 220 CO 0.74 0.19 1.90 0.00 1.20 0.00 0.00 173.24 177.27 3kfb h ALA 221 N 6.13 1.00 0.00 5.45 0.00 -1.99 -2.23 119.26 127.61 3kfb h ALA 221 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kfb h ALA 221 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kfb h ALA 221 CO 0.48 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.67 3kfb n GLN 222 N -2.63 0.15 -2.78 0.00 7.27 -1.26 -4.84 117.38 113.29 3kfb n GLN 222 Ca -0.00 0.18 -0.34 0.00 0.07 0.00 0.00 57.00 56.91 3kfb n GLN 222 Cb 0.18 -1.69 -0.07 0.00 2.41 0.00 0.00 30.24 31.07 3kfb n GLN 222 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3kfb s MET 223 N -3.09 4.24 0.94 3.69 -1.94 -0.84 -4.97 119.30 117.33 3kfb s MET 223 Ca 0.10 1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 55.16 3kfb s MET 223 Cb 0.14 -2.28 0.14 0.00 2.01 0.00 0.00 34.83 34.84 3kfb s MET 223 CO 0.52 -0.02 1.03 -2.30 -0.01 0.00 0.00 175.02 174.24 3kfb n PRO 224 N -0.47 -0.55 0.00 2.03 -0.02 -1.26 -4.96 135.00 129.77 3kfb n PRO 224 Ca 0.06 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3kfb n PRO 224 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3kfb n PRO 224 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kfb n LYS 225 N -3.92 -0.10 -3.52 -0.52 4.81 -1.26 -4.85 118.16 108.80 3kfb n LYS 225 Ca 0.11 -0.42 -0.05 0.00 -0.87 0.00 0.00 58.31 57.07 3kfb n LYS 225 Cb 0.52 -0.92 -0.07 0.00 0.02 0.00 0.00 35.03 34.58 3kfb n LYS 225 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kfb s LYS 226 N -0.11 0.42 -0.10 1.64 2.20 -1.26 -1.44 119.74 121.08 3kfb s LYS 226 Ca 0.00 1.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.65 3kfb s LYS 226 Cb 0.00 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 3kfb s LYS 226 CO 0.00 -0.37 -0.19 0.08 -0.36 0.00 0.00 175.35 174.51 3kfb s VAL 227 N 2.70 1.71 -0.02 4.02 1.01 -0.13 -5.02 120.40 124.66 3kfb s VAL 227 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3kfb s VAL 227 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3kfb s VAL 227 CO -0.16 0.48 0.13 0.42 0.00 0.00 0.00 175.10 175.97 3kfb s THR 228 N 0.70 5.10 -1.39 3.92 -4.23 -1.26 -1.75 115.64 116.73 3kfb s THR 228 Ca -0.12 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3kfb s THR 228 Cb -0.16 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.35 3kfb s THR 228 CO 0.02 0.38 0.35 0.47 -0.54 0.00 0.00 174.62 175.30 3kfb n ASP 229 N 1.20 -1.16 -4.78 3.99 8.00 -0.61 -4.90 116.55 118.28 3kfb n ASP 229 Ca -0.13 -1.18 -0.37 0.00 0.71 0.00 0.00 54.79 53.82 3kfb n ASP 229 Cb 0.53 -2.22 -0.06 0.00 -0.02 0.00 0.00 41.12 39.34 3kfb n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfb s ALA 230 N -3.98 3.29 -0.33 2.24 0.00 -0.83 -4.93 121.76 117.22 3kfb s ALA 230 Ca 0.16 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 3kfb s ALA 230 Cb -0.08 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3kfb s ALA 230 CO 0.95 0.23 0.28 0.15 0.00 0.00 0.00 175.76 177.36 3kfb s LYS 231 N -1.84 3.61 -0.22 0.00 3.01 -1.26 -2.93 119.74 120.12 3kfb s LYS 231 Ca 0.46 -0.49 -0.09 0.00 -1.01 0.00 0.00 55.97 54.84 3kfb s LYS 231 Cb -0.20 -3.78 -0.04 0.00 -1.01 0.00 0.00 37.83 32.80 3kfb s LYS 231 CO 0.24 -0.42 0.12 0.42 0.51 0.00 0.00 175.35 176.22 3kfb s ILE 232 N 1.83 5.05 -0.11 2.17 1.01 -0.18 -1.88 121.20 129.10 3kfb s ILE 232 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 3kfb s ILE 232 Cb -0.17 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3kfb s ILE 232 CO 0.11 0.39 -0.01 0.00 0.00 0.00 0.00 174.94 175.42 3kfb s ALA 233 N 0.86 3.18 -0.17 9.38 0.00 -0.40 0.29 121.76 134.90 3kfb s ALA 233 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3kfb s ALA 233 Cb -0.13 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 3kfb s ALA 233 CO 0.03 0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 175.60 3kfb s LEU 234 N -0.45 2.55 -0.14 0.00 1.02 -1.26 -2.08 118.68 118.31 3kfb s LEU 234 Ca 0.08 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.79 3kfb s LEU 234 Cb -0.12 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.51 3kfb s LEU 234 CO 0.02 0.06 -0.21 -0.76 0.02 0.00 0.00 176.35 175.48 3kfb s LEU 235 N 0.95 2.08 0.06 1.79 1.43 -0.86 -1.97 118.68 122.15 3kfb s LEU 235 Ca -0.02 -0.60 0.24 0.00 -1.03 0.00 0.00 54.13 52.72 3kfb s LEU 235 Cb -0.15 -1.42 0.36 0.00 0.03 0.00 0.00 46.19 45.01 3kfb s LEU 235 CO -0.02 0.06 1.31 -3.20 0.23 0.00 0.00 176.35 174.73 3kfb n ASN 236 N 4.16 0.60 -4.84 2.29 5.15 -0.40 -0.75 115.26 121.47 3kfb n ASN 236 Ca -0.20 -0.08 -0.32 0.00 -0.60 0.00 0.00 54.58 53.38 3kfb n ASN 236 Cb 0.51 0.30 -0.04 0.00 -0.53 0.00 0.00 39.78 40.02 3kfb n ASN 236 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kfb s ALA 238 N -2.44 3.48 -1.09 0.00 0.00 -1.26 -4.40 121.76 116.05 3kfb s ALA 238 Ca 0.58 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 3kfb s ALA 238 Cb -0.10 -2.81 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 3kfb s ALA 238 CO 0.26 -0.23 3.17 -0.89 0.00 0.00 0.00 175.76 178.07 3kfb n ILE 239 N 4.08 3.92 -4.33 0.00 5.41 -1.02 -4.84 119.36 122.59 3kfb n ILE 239 Ca -0.04 -2.28 -0.15 0.00 1.00 0.00 0.00 62.75 61.28 3kfb n ILE 239 Cb 0.51 -2.40 -0.04 0.00 -0.71 0.00 0.00 39.64 37.00 3kfb n ILE 239 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kfb n GLU 240 N 3.16 1.03 -2.45 0.38 1.02 -1.26 -2.14 120.64 120.37 3kfb n GLU 240 Ca 0.67 -1.89 -0.41 0.00 -0.02 0.00 0.00 57.16 55.51 3kfb n GLU 240 Cb 0.45 0.78 -0.04 0.00 -0.02 0.00 0.00 31.44 32.61 3kfb n GLU 240 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kfb s ILE 241 N -2.18 3.57 -0.66 -3.67 -1.09 -1.26 -4.97 121.20 110.94 3kfb s ILE 241 Ca 0.06 1.47 -0.21 0.00 -2.23 0.00 0.00 60.65 59.73 3kfb s ILE 241 Cb 0.00 -3.94 0.08 0.00 -1.58 0.00 0.00 42.46 37.03 3kfb s ILE 241 CO 0.04 0.30 0.92 -0.54 -1.23 0.00 0.00 174.94 174.43 3kfb s LYS 242 N -0.95 3.12 0.13 2.79 1.02 -1.26 -5.02 119.74 119.58 3kfb s LYS 242 Ca 0.47 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 3kfb s LYS 242 Cb -0.32 -4.28 -0.06 0.00 -0.52 0.00 0.00 37.83 32.65 3kfb s LYS 242 CO 0.39 -1.75 1.00 -1.21 -0.92 0.00 0.00 175.35 172.86 3kfb s GLU 243 N 3.67 4.67 0.55 1.68 2.02 -1.26 -5.03 118.70 124.99 3kfb s GLU 243 Ca 0.20 1.53 -0.20 0.00 0.02 0.00 0.00 54.97 56.52 3kfb s GLU 243 Cb -0.18 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 3kfb s GLU 243 CO 0.08 0.18 1.19 0.95 0.02 0.00 0.00 175.26 177.68 3kfb s THR 244 N -0.08 2.81 0.03 3.63 -4.23 -1.26 -4.98 115.64 111.56 3kfb s THR 244 Ca 0.48 0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 61.30 3kfb s THR 244 Cb -0.25 -3.23 -0.15 0.00 1.34 0.00 0.00 72.50 70.21 3kfb s THR 244 CO 0.31 -0.08 1.37 -0.33 -0.54 0.00 0.00 174.62 175.35 3kfb h GLU 245 N 1.27 0.27 -6.23 3.99 4.39 -2.03 -3.40 114.58 112.83 3kfb h GLU 245 Ca -0.50 -0.13 -0.55 0.00 0.34 0.00 0.00 59.36 58.52 3kfb h GLU 245 Cb 1.28 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3kfb h GLU 245 CO 0.57 0.63 1.04 0.95 -1.16 0.00 0.00 179.01 181.04 3kfb s THR 246 N -4.47 3.78 0.09 1.13 -4.23 -1.26 -4.91 115.64 105.78 3kfb s THR 246 Ca -0.14 0.94 -0.36 0.00 -1.18 0.00 0.00 61.69 60.94 3kfb s THR 246 Cb 0.05 -3.61 -0.17 0.00 1.34 0.00 0.00 72.50 70.11 3kfb s THR 246 CO 0.73 -0.09 1.35 0.47 -0.54 0.00 0.00 174.62 176.54 3kfb n ASP 247 N 7.02 1.74 -4.15 3.99 10.43 -1.26 -4.98 116.55 129.34 3kfb n ASP 247 Ca 0.16 1.12 -0.20 0.00 2.57 0.00 0.00 54.79 58.44 3kfb n ASP 247 Cb 0.43 -1.21 -0.13 0.00 1.84 0.00 0.00 41.12 42.06 3kfb n ASP 247 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kfb s ALA 248 N 0.50 1.16 -0.02 2.24 0.00 -1.26 -5.10 121.76 119.27 3kfb s ALA 248 Ca 0.84 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 3kfb s ALA 248 Cb -0.93 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3kfb s ALA 248 CO 0.46 0.21 0.06 -2.00 0.00 0.00 0.00 175.76 174.49 3kfb s GLU 249 N -1.23 0.09 0.03 0.00 2.12 -1.26 -5.04 118.70 113.41 3kfb s GLU 249 Ca 0.01 0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 3kfb s GLU 249 Cb -0.08 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.30 3kfb s GLU 249 CO 0.01 -0.01 0.29 0.42 -0.54 0.00 0.00 175.26 175.43 3kfb s ILE 250 N -0.08 5.28 -0.16 -3.70 1.01 -1.26 -5.09 121.20 117.20 3kfb s ILE 250 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3kfb s ILE 250 Cb -0.01 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.90 3kfb s ILE 250 CO 0.00 0.31 -0.14 -0.13 0.00 0.00 0.00 174.94 174.98 3kfb s ARG 251 N -1.93 2.30 -0.20 2.79 1.81 -1.26 -5.12 118.95 117.34 3kfb s ARG 251 Ca 0.30 -0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 53.63 3kfb s ARG 251 Cb -0.13 -2.18 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 3kfb s ARG 251 CO 0.18 -0.26 0.04 0.42 -0.68 0.00 0.00 175.30 175.00 3kfb s ILE 252 N 1.46 4.41 -0.01 1.52 1.09 -1.26 -4.95 121.20 123.47 3kfb s ILE 252 Ca 0.04 -0.16 0.03 0.00 -1.10 0.00 0.00 60.65 59.46 3kfb s ILE 252 Cb -0.13 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 3kfb s ILE 252 CO -0.10 0.43 0.05 0.35 -0.10 0.00 0.00 174.94 175.56 3kfb n THR 253 N 4.01 0.04 -3.92 2.92 -2.24 -1.26 -4.99 114.28 108.84 3kfb n THR 253 Ca -0.17 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 3kfb n THR 253 Cb 0.52 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 3kfb n THR 253 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfb s ASP 254 N -2.56 5.56 0.55 3.42 3.68 -1.26 -5.00 116.67 121.06 3kfb s ASP 254 Ca -0.01 0.01 0.24 0.00 2.13 0.00 0.00 52.55 54.92 3kfb s ASP 254 Cb 0.01 -1.97 1.52 0.00 -1.45 0.00 0.00 42.92 41.03 3kfb s ASP 254 CO 0.11 0.11 2.15 1.55 0.13 0.00 0.00 175.17 179.22 3kfb h PRO 255 N 7.15 0.00 0.00 4.34 0.13 -2.04 0.36 132.00 141.95 3kfb h PRO 255 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3kfb h PRO 255 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kfb h PRO 255 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 3kfb n ALA 256 N -2.45 2.14 0.99 -0.56 0.00 -1.26 -3.09 120.51 116.27 3kfb n ALA 256 Ca -0.00 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.51 3kfb n ALA 256 Cb 0.20 -1.42 0.56 0.00 0.00 0.00 0.00 19.45 18.80 3kfb n ALA 256 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kfb n LYS 257 N -1.72 0.01 0.32 0.00 4.76 0.12 -4.02 118.16 117.62 3kfb n LYS 257 Ca 0.06 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3kfb n LYS 257 Cb 0.32 -1.51 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 3kfb n LYS 257 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3kfb h LEU 258 N 0.00 -0.67 -2.32 -0.35 3.38 -1.66 -2.78 115.31 110.92 3kfb h LEU 258 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kfb h LEU 258 Cb 0.51 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kfb h LEU 258 CO 0.00 -0.40 -0.04 0.24 0.09 0.00 0.00 178.44 178.33 3kfb h MET 259 N -0.89 0.00 0.45 1.13 2.86 -1.81 -2.97 114.93 113.70 3kfb h MET 259 Ca -0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3kfb h MET 259 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3kfb h MET 259 CO 0.13 0.04 -0.22 0.93 1.06 0.00 0.00 176.91 178.86 3kfb h GLU 260 N 0.00 -0.58 -0.30 1.72 5.08 -1.63 -1.01 114.58 117.85 3kfb h GLU 260 Ca -0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3kfb h GLU 260 Cb 0.18 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kfb h GLU 260 CO 0.01 -0.36 -0.31 0.74 -1.00 0.00 0.00 179.01 178.09 3kfb h PHE 261 N -0.66 0.89 -0.20 4.33 -1.00 -1.44 -0.75 116.94 118.11 3kfb h PHE 261 Ca -0.06 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.45 3kfb h PHE 261 Cb 0.49 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3kfb h PHE 261 CO -0.03 1.03 0.12 0.82 -1.61 0.00 0.00 178.31 178.64 3kfb h ILE 262 N 0.49 1.03 0.00 -0.55 2.04 -1.58 0.14 117.51 119.09 3kfb h ILE 262 Ca 0.05 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3kfb h ILE 262 Cb 0.88 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3kfb h ILE 262 CO 0.08 0.05 -0.30 -0.33 0.00 0.00 0.00 178.15 177.65 3kfb h GLU 263 N 0.25 0.00 0.03 2.37 5.08 -1.10 -1.27 114.58 119.94 3kfb h GLU 263 Ca 0.08 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 3kfb h GLU 263 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kfb h GLU 263 CO -0.03 0.30 -1.03 0.37 -1.00 0.00 0.00 179.01 177.62 3kfb h GLN 264 N 0.00 0.50 -0.42 2.33 5.75 -0.82 -2.29 115.11 120.16 3kfb h GLN 264 Ca -0.00 -0.58 -0.10 0.00 -0.15 0.00 0.00 58.65 57.82 3kfb h GLN 264 Cb 0.66 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3kfb h GLN 264 CO 0.04 1.21 -0.14 1.49 -2.65 0.00 0.00 178.83 178.77 3kfb h GLU 265 N 0.27 0.84 0.00 1.69 4.81 -0.34 -2.76 114.58 119.09 3kfb h GLU 265 Ca -0.11 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kfb h GLU 265 Cb 1.68 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.02 3kfb h GLU 265 CO 0.19 0.97 0.00 -0.85 -0.73 0.00 0.00 179.01 178.59 3kfb n GLU 266 N -4.26 0.08 0.18 1.92 0.28 -0.51 -1.96 120.64 116.36 3kfb n GLU 266 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.10 3kfb n GLU 266 Cb 0.40 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.88 3kfb n GLU 266 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3kfb h LYS 267 N 0.00 0.00 0.00 3.44 3.64 -1.13 -2.61 116.57 119.91 3kfb h LYS 267 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3kfb h LYS 267 Cb 0.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3kfb h LYS 267 CO 0.00 0.06 -0.53 0.52 -2.27 0.00 0.00 179.45 177.23 3kfb h MET 268 N 0.00 0.00 0.09 1.90 2.86 -1.13 -1.99 114.93 116.65 3kfb h MET 268 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 3kfb h MET 268 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3kfb h MET 268 CO 0.01 0.53 -1.29 -0.07 1.06 0.00 0.00 176.91 177.14 3kfb h LEU 269 N 0.00 0.29 -0.97 1.22 4.07 -1.54 -2.82 115.31 115.55 3kfb h LEU 269 Ca -0.01 -0.34 -0.08 0.00 0.08 0.00 0.00 57.88 57.54 3kfb h LEU 269 Cb 1.30 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 3kfb h LEU 269 CO 0.07 1.27 -0.08 0.11 -1.08 0.00 0.00 178.44 178.73 3kfb h LYS 270 N 0.05 0.65 -0.39 1.13 1.57 -1.42 -2.59 116.57 115.58 3kfb h LYS 270 Ca -0.14 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 3kfb h LYS 270 Cb 1.94 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.17 3kfb h LYS 270 CO 0.17 0.73 0.01 -0.44 -0.57 0.00 0.00 179.45 179.35 3kfb h ASP 271 N 0.60 0.66 -0.54 0.86 3.45 -1.40 -1.94 116.42 118.11 3kfb h ASP 271 Ca 0.11 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.23 3kfb h ASP 271 Cb 0.50 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3kfb h ASP 271 CO 0.03 0.80 0.18 0.24 -1.57 0.00 0.00 179.24 178.92 3kfb h MET 272 N 0.51 0.83 -0.20 3.56 2.86 -1.37 -0.78 114.93 120.34 3kfb h MET 272 Ca 0.11 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 3kfb h MET 272 Cb 0.45 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3kfb h MET 272 CO 0.02 0.75 -0.30 0.28 1.06 0.00 0.00 176.91 178.72 3kfb h VAL 273 N 0.74 1.27 0.00 -2.22 2.07 -1.47 -2.63 116.25 114.02 3kfb h VAL 273 Ca 0.18 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3kfb h VAL 273 Cb 0.26 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3kfb h VAL 273 CO -0.01 0.41 -0.11 0.00 0.02 0.00 0.00 177.57 177.88 3kfb h ALA 274 N 1.35 0.98 0.00 1.67 0.00 -0.92 -2.54 119.26 119.80 3kfb h ALA 274 Ca 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3kfb h ALA 274 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kfb h ALA 274 CO 0.05 0.13 -0.67 0.93 0.00 0.00 0.00 179.25 179.70 3kfb h GLU 275 N 0.00 0.00 0.13 0.00 5.08 -0.84 -2.94 114.58 116.01 3kfb h GLU 275 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3kfb h GLU 275 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3kfb h GLU 275 CO 0.01 0.67 -1.23 0.82 -1.00 0.00 0.00 179.01 178.28 3kfb h ILE 276 N 0.00 1.43 0.00 3.13 2.04 -1.27 -3.13 117.51 119.71 3kfb h ILE 276 Ca -0.01 -2.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.01 3kfb h ILE 276 Cb 1.51 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 40.44 3kfb h ILE 276 CO 0.09 0.84 -0.05 0.50 0.00 0.00 0.00 178.15 179.53 3kfb h LYS 277 N 0.13 0.00 0.00 2.37 3.64 -1.52 -2.93 116.57 118.26 3kfb h LYS 277 Ca -0.15 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 3kfb h LYS 277 Cb 1.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 3kfb h LYS 277 CO 0.21 0.05 -0.32 0.00 -2.27 0.00 0.00 179.45 177.12 3kfb h ALA 278 N 1.95 1.09 0.00 5.00 0.00 -1.45 -2.75 119.26 123.11 3kfb h ALA 278 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3kfb h ALA 278 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kfb h ALA 278 CO 0.01 0.40 -0.45 0.66 0.00 0.00 0.00 179.25 179.87 3kfb h SER 279 N 0.00 0.00 0.00 0.00 4.64 -1.59 -3.47 113.55 113.13 3kfb h SER 279 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kfb h SER 279 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3kfb h SER 279 CO 0.04 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3kfb n GLY 280 N 1.19 0.99 3.72 -0.77 0.00 -1.04 -4.59 105.19 104.70 3kfb n GLY 280 Ca 0.02 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kfb n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 281 N -2.00 3.26 -0.58 4.61 0.00 -1.24 -4.77 121.76 121.04 3kfb s ALA 281 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.39 3kfb s ALA 281 Cb 0.00 -3.15 0.13 0.00 0.00 0.00 0.00 23.12 20.10 3kfb s ALA 281 CO 0.00 -0.12 0.99 0.27 0.00 0.00 0.00 175.76 176.90 3kfb n ASN 282 N 3.58 2.18 -3.76 0.00 6.94 -0.79 -4.68 115.26 118.73 3kfb n ASN 282 Ca 0.02 -1.76 -0.13 0.00 -0.02 0.00 0.00 54.58 52.69 3kfb n ASN 282 Cb 0.51 -0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 37.71 3kfb n ASN 282 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kfb s VAL 283 N -0.84 -0.03 -0.06 3.53 1.01 -1.15 -1.88 120.40 120.97 3kfb s VAL 283 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3kfb s VAL 283 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3kfb s VAL 283 CO 0.08 0.04 -0.04 -0.22 0.00 0.00 0.00 175.10 174.96 3kfb s LEU 284 N 0.82 1.17 -0.30 3.92 2.96 0.28 -1.28 118.68 126.25 3kfb s LEU 284 Ca -0.06 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3kfb s LEU 284 Cb -0.07 -0.53 0.07 0.00 0.50 0.00 0.00 46.19 46.16 3kfb s LEU 284 CO -0.05 -0.09 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.51 3kfb s PHE 285 N 1.22 3.39 -0.15 5.38 0.40 -0.88 -1.09 117.98 126.25 3kfb s PHE 285 Ca -0.06 -2.35 -0.08 0.00 -0.60 0.00 0.00 56.93 53.84 3kfb s PHE 285 Cb -0.14 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 3kfb s PHE 285 CO -0.02 -0.88 0.14 0.00 0.70 0.00 0.00 175.22 175.16 3kfb h GLN 287 N 5.59 0.27 0.00 0.00 4.15 -1.17 -1.49 115.11 122.45 3kfb h GLN 287 Ca -0.50 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 58.46 3kfb h GLN 287 Cb 1.20 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.06 3kfb h GLN 287 CO 0.65 1.16 0.00 1.63 -1.93 0.00 0.00 178.83 180.34 3kfb n LYS 288 N -3.49 2.20 -2.81 1.69 4.76 -1.26 -3.33 118.16 115.92 3kfb n LYS 288 Ca -0.14 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.00 3kfb n LYS 288 Cb 1.04 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 34.20 3kfb n LYS 288 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfb s GLY 289 N -1.19 1.87 -0.14 0.72 0.00 -1.26 -1.21 107.32 106.12 3kfb s GLY 289 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.49 3kfb s GLY 289 CO 0.00 -0.06 -0.21 -0.42 0.00 0.00 0.00 173.10 172.41 3kfb s ILE 290 N -2.44 2.20 0.59 0.90 1.01 -1.26 -2.43 121.20 119.78 3kfb s ILE 290 Ca 0.51 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3kfb s ILE 290 Cb -0.10 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3kfb s ILE 290 CO 0.34 0.54 1.24 -0.62 0.00 0.00 0.00 174.94 176.44 3kfb s ASP 291 N 0.76 5.13 0.23 3.58 -1.08 -0.91 -4.84 116.67 119.54 3kfb s ASP 291 Ca -0.08 2.47 -0.06 0.00 -0.52 0.00 0.00 52.55 54.37 3kfb s ASP 291 Cb -0.16 -2.61 0.22 0.00 -1.46 0.00 0.00 42.92 38.92 3kfb s ASP 291 CO -0.00 -1.64 1.79 -0.78 0.52 0.00 0.00 175.17 175.05 3kfb h ASP 292 N 0.94 1.01 -0.64 -0.34 -0.00 -2.00 -1.91 116.42 113.48 3kfb h ASP 292 Ca -0.51 -0.17 0.01 0.00 -0.00 0.00 0.00 57.03 56.36 3kfb h ASP 292 Cb 1.30 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 40.34 3kfb h ASP 292 CO 0.55 0.92 0.42 -0.07 -0.00 0.00 0.00 179.24 181.07 3kfb h LEU 293 N 1.05 0.73 -1.50 2.28 3.38 -1.97 -2.84 115.31 116.45 3kfb h LEU 293 Ca 0.24 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3kfb h LEU 293 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kfb h LEU 293 CO -0.01 0.53 -0.23 0.00 0.09 0.00 0.00 178.44 178.81 3kfb h ALA 294 N 1.24 1.24 -0.50 1.53 0.00 -1.70 -1.40 119.26 119.66 3kfb h ALA 294 Ca 0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3kfb h ALA 294 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kfb h ALA 294 CO -0.05 0.29 -0.11 1.96 0.00 0.00 0.00 179.25 181.33 3kfb h GLN 295 N 0.00 0.92 -0.63 0.00 4.20 -1.17 -1.78 115.11 116.66 3kfb h GLN 295 Ca -0.00 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 3kfb h GLN 295 Cb 0.55 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3kfb h GLN 295 CO 0.03 0.99 0.03 1.25 -0.67 0.00 0.00 178.83 180.46 3kfb h HIS 296 N 0.83 1.17 -0.06 2.96 2.76 -1.10 -1.78 115.15 119.93 3kfb h HIS 296 Ca 0.13 -0.19 -0.20 0.00 -2.20 0.00 0.00 60.37 57.91 3kfb h HIS 296 Cb 0.65 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 3kfb h HIS 296 CO 0.04 1.02 -0.80 1.88 -1.30 0.00 0.00 177.93 178.77 3kfb h TYR 297 N 0.99 0.62 -0.65 5.26 0.05 -1.38 -2.16 116.97 119.69 3kfb h TYR 297 Ca 0.18 -0.29 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 3kfb h TYR 297 Cb 0.53 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 3kfb h TYR 297 CO 0.04 1.07 0.34 -0.07 -1.05 0.00 0.00 178.16 178.49 3kfb h LEU 298 N 0.29 0.83 -1.19 3.88 3.38 -1.28 -2.19 115.31 119.03 3kfb h LEU 298 Ca -0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3kfb h LEU 298 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3kfb h LEU 298 CO 0.14 0.71 -0.39 0.00 0.09 0.00 0.00 178.44 178.99 3kfb h ALA 299 N 1.16 1.26 0.00 1.53 0.00 -1.18 -1.45 119.26 120.58 3kfb h ALA 299 Ca 0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3kfb h ALA 299 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kfb h ALA 299 CO -0.03 0.49 -0.69 -0.22 0.00 0.00 0.00 179.25 178.79 3kfb h LYS 300 N 0.00 0.00 0.00 0.00 3.64 -1.16 -2.97 116.57 116.08 3kfb h LYS 300 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kfb h LYS 300 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kfb h LYS 300 CO 0.05 0.69 -0.28 0.93 -2.27 0.00 0.00 179.45 178.57 3kfb h GLU 301 N 0.00 0.00 0.00 1.90 4.39 -1.02 -3.48 114.58 116.37 3kfb h GLU 301 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kfb h GLU 301 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3kfb h GLU 301 CO 0.09 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 3kfb n GLY 302 N 1.24 0.87 3.57 -3.84 0.00 -0.82 -5.05 105.19 101.17 3kfb n GLY 302 Ca 0.04 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3kfb n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfb s ILE 303 N -2.00 4.81 -0.15 -0.61 1.01 -0.61 -4.68 121.20 118.97 3kfb s ILE 303 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 3kfb s ILE 303 Cb 0.00 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3kfb s ILE 303 CO 0.00 -0.39 1.25 -0.69 0.00 0.00 0.00 174.94 175.11 3kfb s VAL 304 N 2.90 4.29 0.09 2.92 1.01 -0.79 -4.37 120.40 126.45 3kfb s VAL 304 Ca 0.27 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.87 3kfb s VAL 304 Cb -0.14 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3kfb s VAL 304 CO 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 175.10 175.01 3kfb s ALA 305 N 3.31 1.28 -0.03 5.51 0.00 -1.26 0.99 121.76 131.57 3kfb s ALA 305 Ca 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3kfb s ALA 305 Cb -0.22 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3kfb s ALA 305 CO 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 175.76 176.02 3kfb s ALA 306 N -1.78 0.38 0.16 0.00 0.00 -0.25 -0.78 121.76 119.49 3kfb s ALA 306 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3kfb s ALA 306 Cb -0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3kfb s ALA 306 CO 0.02 -0.08 0.30 -0.98 0.00 0.00 0.00 175.76 175.02 3kfb s ARG 307 N 1.04 3.46 -1.06 0.00 1.70 -1.26 -1.53 118.95 121.29 3kfb s ARG 307 Ca -0.09 -0.54 -0.19 0.00 -0.47 0.00 0.00 55.73 54.44 3kfb s ARG 307 Cb -0.14 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.31 3kfb s ARG 307 CO -0.02 0.50 0.73 0.54 -1.08 0.00 0.00 175.30 175.98 3kfb n ARG 308 N -0.54 -1.07 -3.10 3.89 1.74 -0.35 -4.95 116.66 112.28 3kfb n ARG 308 Ca -0.06 0.52 -0.39 0.00 -0.77 0.00 0.00 57.85 57.14 3kfb n ARG 308 Cb 0.54 -3.63 -0.05 0.00 -1.02 0.00 0.00 32.46 28.29 3kfb n ARG 308 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kfb s VAL 309 N -3.35 4.80 0.39 1.55 1.01 -0.58 -4.99 120.40 119.22 3kfb s VAL 309 Ca 0.36 1.44 -0.25 0.00 0.00 0.00 0.00 61.98 63.53 3kfb s VAL 309 Cb -0.15 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 3kfb s VAL 309 CO 0.88 0.40 1.03 0.29 0.00 0.00 0.00 175.10 177.70 3kfb n LYS 310 N 2.68 1.41 0.13 2.72 4.76 -1.26 -4.52 118.16 124.08 3kfb n LYS 310 Ca -0.05 0.50 0.13 0.00 -2.87 0.00 0.00 58.31 56.03 3kfb n LYS 310 Cb 0.50 -2.02 0.65 0.00 -1.84 0.00 0.00 35.03 32.32 3kfb n LYS 310 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kfb h LYS 311 N 1.71 0.03 0.05 1.97 3.64 -1.95 -1.49 116.57 120.53 3kfb h LYS 311 Ca -0.44 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.71 3kfb h LYS 311 Cb 1.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3kfb h LYS 311 CO 0.58 0.02 -1.04 0.66 -2.27 0.00 0.00 179.45 177.40 3kfb h SER 312 N 0.03 0.39 0.73 4.20 4.64 -2.00 -3.03 113.55 118.51 3kfb h SER 312 Ca 0.12 -0.36 -0.11 0.00 -0.47 0.00 0.00 61.79 60.97 3kfb h SER 312 Cb 0.45 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3kfb h SER 312 CO -0.01 1.21 -0.53 0.44 -0.87 0.00 0.00 176.83 177.07 3kfb h ASP 313 N 0.13 0.00 -0.29 4.97 3.32 -1.74 -2.61 116.42 120.20 3kfb h ASP 313 Ca -0.09 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 3kfb h ASP 313 Cb 1.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 3kfb h ASP 313 CO 0.17 0.53 -0.25 0.24 -1.72 0.00 0.00 179.24 178.22 3kfb h MET 314 N 0.00 0.78 0.00 3.56 2.86 -1.28 -1.53 114.93 119.33 3kfb h MET 314 Ca -0.01 -0.33 -0.12 0.00 -2.06 0.00 0.00 59.70 57.19 3kfb h MET 314 Cb 1.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 3kfb h MET 314 CO 0.07 0.94 -0.55 0.93 1.06 0.00 0.00 176.91 179.36 3kfb h GLU 315 N 0.67 0.00 0.03 1.72 5.08 -1.43 -1.64 114.58 119.01 3kfb h GLU 315 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kfb h GLU 315 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kfb h GLU 315 CO 0.06 0.55 -0.01 0.87 -1.00 0.00 0.00 179.01 179.48 3kfb h LYS 316 N 0.00 -0.04 -0.69 2.33 1.79 -1.30 -2.98 116.57 115.67 3kfb h LYS 316 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3kfb h LYS 316 Cb 0.98 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 3kfb h LYS 316 CO 0.07 0.33 0.31 -0.07 -1.08 0.00 0.00 179.45 179.01 3kfb h LEU 317 N -0.41 0.91 -0.94 2.94 3.38 -1.21 -1.40 115.31 118.57 3kfb h LEU 317 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3kfb h LEU 317 Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3kfb h LEU 317 CO 0.01 0.78 0.13 0.00 0.09 0.00 0.00 178.44 179.45 3kfb h ALA 318 N 1.35 1.14 0.00 1.53 0.00 -1.34 -1.75 119.26 120.19 3kfb h ALA 318 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kfb h ALA 318 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kfb h ALA 318 CO -0.03 0.58 -0.69 0.87 0.00 0.00 0.00 179.25 179.98 3kfb h LYS 319 N 0.86 0.00 0.04 0.00 1.57 -1.32 -2.85 116.57 114.87 3kfb h LYS 319 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 3kfb h LYS 319 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3kfb h LYS 319 CO 0.00 0.14 -1.03 0.00 -0.57 0.00 0.00 179.45 177.99 3kfb h ALA 320 N 1.81 0.18 0.00 3.86 0.00 -1.04 -1.15 119.26 122.92 3kfb h ALA 320 Ca -0.03 -1.01 -0.24 0.00 0.00 0.00 0.00 54.91 53.63 3kfb h ALA 320 Cb 1.17 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 3kfb h ALA 320 CO 0.02 0.59 -1.54 1.79 0.00 0.00 0.00 179.25 180.11 3kfb h THR 321 N -0.75 0.75 -0.38 0.00 1.35 -1.50 -3.34 112.91 109.03 3kfb h THR 321 Ca -0.25 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 3kfb h THR 321 Cb 1.40 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3kfb h THR 321 CO -0.07 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 3kfb n GLY 322 N 1.48 0.73 3.11 5.82 0.00 -1.17 -1.32 105.19 113.83 3kfb n GLY 322 Ca -0.13 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3kfb n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb n ALA 323 N -0.44 0.68 -2.71 4.61 0.00 -1.08 -3.87 120.51 117.70 3kfb n ALA 323 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 53.44 51.41 3kfb n ALA 323 Cb 0.13 0.76 -0.15 0.00 0.00 0.00 0.00 19.45 20.18 3kfb n ALA 323 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kfb s ASN 324 N -3.63 1.47 -0.58 0.00 0.01 -1.04 -4.78 114.94 106.39 3kfb s ASN 324 Ca 0.24 -0.23 -0.26 0.00 -0.71 0.00 0.00 52.86 51.90 3kfb s ASN 324 Cb -0.02 -0.23 0.04 0.00 0.41 0.00 0.00 41.25 41.45 3kfb s ASN 324 CO 0.15 0.14 1.10 -0.69 -1.51 0.00 0.00 177.10 176.29 3kfb s VAL 325 N -0.17 4.14 -0.23 1.60 1.01 -1.26 -4.18 120.40 121.32 3kfb s VAL 325 Ca 0.03 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 3kfb s VAL 325 Cb -0.06 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 3kfb s VAL 325 CO -0.00 -1.30 0.13 -0.63 0.00 0.00 0.00 175.10 173.30 3kfb s ILE 326 N 4.61 5.16 -2.51 2.22 -1.09 -0.83 -4.83 121.20 123.92 3kfb s ILE 326 Ca 0.37 0.11 0.25 0.00 -2.23 0.00 0.00 60.65 59.15 3kfb s ILE 326 Cb -0.10 -3.39 0.28 0.00 -1.58 0.00 0.00 42.46 37.68 3kfb s ILE 326 CO 0.22 0.38 1.43 0.41 -1.23 0.00 0.00 174.94 176.14 3kfb n THR 327 N 4.13 0.00 -3.82 2.92 -1.04 -1.26 -1.28 114.28 113.93 3kfb n THR 327 Ca -0.15 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.05 61.25 3kfb n THR 327 Cb 0.52 0.99 -0.16 0.00 -1.82 0.00 0.00 70.33 69.86 3kfb n THR 327 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3kfb s ASN 328 N -2.15 2.89 0.50 8.00 2.47 -1.26 -4.32 114.94 121.07 3kfb s ASN 328 Ca 0.29 -0.75 0.33 0.00 0.42 0.00 0.00 52.86 53.15 3kfb s ASN 328 Cb 0.20 -0.77 1.45 0.00 -1.45 0.00 0.00 41.25 40.68 3kfb s ASN 328 CO 0.39 -0.25 1.97 -0.29 -3.72 0.00 0.00 177.10 175.21 3kfb h ILE 329 N 6.48 0.00 0.00 -5.21 2.10 -1.98 -2.11 117.51 116.79 3kfb h ILE 329 Ca -0.19 -0.34 -0.09 0.00 1.08 0.00 0.00 64.86 65.32 3kfb h ILE 329 Cb 1.11 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 3kfb h ILE 329 CO 0.36 0.00 -0.42 0.11 -1.08 0.00 0.00 178.15 177.12 3kfb h LYS 330 N 0.00 0.00 -0.47 2.19 1.79 -1.98 -3.19 116.57 114.91 3kfb h LYS 330 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kfb h LYS 330 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3kfb h LYS 330 CO 0.00 0.42 0.00 -3.47 -1.08 0.00 0.00 179.45 175.32 3kfb n ASP 331 N -3.40 4.64 -4.55 0.86 2.03 -0.80 -4.90 116.55 110.43 3kfb n ASP 331 Ca 0.01 -2.76 -0.37 0.00 0.52 0.00 0.00 54.79 52.19 3kfb n ASP 331 Cb 0.59 -0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 3kfb n ASP 331 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kfb s LEU 332 N -2.40 3.26 0.67 -2.67 2.96 -1.20 -4.97 118.68 114.32 3kfb s LEU 332 Ca 0.47 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3kfb s LEU 332 Cb 0.34 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3kfb s LEU 332 CO 0.16 -2.33 1.05 -0.55 -1.32 0.00 0.00 176.35 173.35 3kfb s SER 333 N 7.35 5.52 0.34 3.68 0.15 -1.26 -4.76 113.70 124.72 3kfb s SER 333 Ca 0.62 1.04 0.26 0.00 0.70 0.00 0.00 55.95 58.58 3kfb s SER 333 Cb -0.10 -1.90 0.92 0.00 -1.71 0.00 0.00 66.02 63.23 3kfb s SER 333 CO 0.15 -1.25 1.78 0.00 1.20 0.00 0.00 173.24 175.11 3kfb h ALA 334 N -0.52 1.00 -0.01 5.45 0.00 -1.91 -3.08 119.26 120.19 3kfb h ALA 334 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kfb h ALA 334 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kfb h ALA 334 CO 0.63 0.00 -0.19 1.04 0.00 0.00 0.00 179.25 180.73 3kfb n GLN 335 N -2.58 1.11 -0.34 0.00 3.00 -1.26 -3.88 117.38 113.43 3kfb n GLN 335 Ca 0.03 -0.68 0.07 0.00 -0.01 0.00 0.00 57.00 56.41 3kfb n GLN 335 Cb 0.35 -1.49 0.23 0.00 0.00 0.00 0.00 30.24 29.33 3kfb n GLN 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kfb n ASP 336 N -0.35 3.00 -4.87 1.08 10.43 -1.16 -4.91 116.55 119.77 3kfb n ASP 336 Ca 0.14 -2.18 -0.36 0.00 2.57 0.00 0.00 54.79 54.96 3kfb n ASP 336 Cb 0.36 -0.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.86 3kfb n ASP 336 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kfb s LEU 337 N -1.23 4.40 0.66 0.64 1.43 -1.25 -2.49 118.68 120.85 3kfb s LEU 337 Ca 0.33 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3kfb s LEU 337 Cb 0.20 -2.44 0.07 0.00 0.03 0.00 0.00 46.19 44.04 3kfb s LEU 337 CO 0.18 0.32 0.94 -0.83 0.23 0.00 0.00 176.35 177.20 3kfb s GLY 338 N -1.32 1.76 -0.07 -3.19 0.00 0.14 -4.59 107.32 100.06 3kfb s GLY 338 Ca 0.22 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 3kfb s GLY 338 CO 0.11 -0.83 0.03 -0.35 0.00 0.00 0.00 173.10 172.07 3kfb s ASP 339 N -4.54 1.49 0.02 1.64 2.15 -0.44 -1.01 116.67 115.98 3kfb s ASP 339 Ca 0.61 -0.07 0.04 0.00 0.43 0.00 0.00 52.55 53.56 3kfb s ASP 339 Cb -0.09 -0.32 -0.01 0.00 -0.30 0.00 0.00 42.92 42.19 3kfb s ASP 339 CO 0.43 -0.23 -0.11 0.00 -0.17 0.00 0.00 175.17 175.09 3kfb s ALA 340 N 2.05 0.92 -0.07 3.66 0.00 -1.15 -4.24 121.76 122.93 3kfb s ALA 340 Ca 0.05 -0.62 0.25 0.00 0.00 0.00 0.00 51.96 51.64 3kfb s ALA 340 Cb -0.12 -0.17 0.77 0.00 0.00 0.00 0.00 23.12 23.59 3kfb s ALA 340 CO -0.05 0.18 1.76 0.78 0.00 0.00 0.00 175.76 178.43 3kfb h GLY 341 N 5.36 0.00 -5.48 0.00 0.00 -1.13 -2.21 103.07 99.61 3kfb h GLY 341 Ca -0.34 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3kfb h GLY 341 CO 0.46 0.00 -0.22 -2.27 0.00 0.00 0.00 176.54 174.52 3kfb s LEU 342 N -6.42 -0.42 -0.15 3.11 0.20 -0.87 -1.58 118.68 112.56 3kfb s LEU 342 Ca 0.03 1.09 -0.00 0.00 0.69 0.00 0.00 54.13 55.94 3kfb s LEU 342 Cb 0.08 1.66 0.03 0.00 -0.43 0.00 0.00 46.19 47.53 3kfb s LEU 342 CO 0.64 -0.21 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.70 3kfb s VAL 343 N 1.65 1.28 -0.02 1.68 1.01 -0.72 -0.81 120.40 124.47 3kfb s VAL 343 Ca -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3kfb s VAL 343 Cb -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3kfb s VAL 343 CO -0.15 0.31 0.08 -0.70 0.00 0.00 0.00 175.10 174.64 3kfb s GLU 344 N 1.59 0.23 -0.48 2.72 2.12 -0.46 -0.96 118.70 123.46 3kfb s GLU 344 Ca 0.03 -0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 3kfb s GLU 344 Cb -0.14 0.10 0.06 0.00 0.26 0.00 0.00 34.13 34.41 3kfb s GLU 344 CO -0.09 -0.04 0.46 -2.00 -0.54 0.00 0.00 175.26 173.05 3kfb s GLU 345 N -0.53 3.03 0.31 4.30 2.12 -0.52 -0.02 118.70 127.38 3kfb s GLU 345 Ca -0.06 -1.18 0.06 0.00 0.36 0.00 0.00 54.97 54.15 3kfb s GLU 345 Cb -0.04 -4.11 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 3kfb s GLU 345 CO 0.00 -1.07 0.40 1.03 -0.54 0.00 0.00 175.26 175.08 3kfb s ARG 346 N 1.96 3.09 -0.77 4.30 0.52 -0.65 -4.92 118.95 122.48 3kfb s ARG 346 Ca 0.08 -1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 3kfb s ARG 346 Cb -0.22 -2.75 0.19 0.00 0.52 0.00 0.00 34.95 32.69 3kfb s ARG 346 CO 0.09 0.15 0.63 0.15 0.02 0.00 0.00 175.30 176.34 3kfb s LYS 347 N -4.09 3.00 -0.23 3.54 1.02 -1.26 -1.42 119.74 120.31 3kfb s LYS 347 Ca 0.42 -2.87 -0.13 0.00 0.02 0.00 0.00 55.97 53.40 3kfb s LYS 347 Cb -0.09 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 3kfb s LYS 347 CO 0.30 -1.23 0.29 -1.50 -0.92 0.00 0.00 175.35 172.29 3kfb s ILE 348 N -0.63 5.26 -1.24 2.17 1.10 -0.84 -4.43 121.20 122.59 3kfb s ILE 348 Ca 0.22 0.46 -0.00 0.00 -0.51 0.00 0.00 60.65 60.81 3kfb s ILE 348 Cb -0.13 -3.63 -0.00 0.00 0.15 0.00 0.00 42.46 38.85 3kfb s ILE 348 CO -0.08 0.27 0.89 -0.24 -2.11 0.00 0.00 174.94 173.67 3kfb n SER 349 N 4.58 -1.75 0.00 4.50 2.88 -1.26 -3.45 113.62 119.12 3kfb n SER 349 Ca -0.11 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 3kfb n SER 349 Cb 0.51 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 3kfb n SER 349 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kfb n GLY 350 N -1.30 1.75 3.78 0.46 0.00 -1.26 -4.93 105.19 103.69 3kfb n GLY 350 Ca -0.29 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3kfb n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfb s ASP 351 N 0.00 6.62 -0.20 1.61 1.01 -1.22 -4.94 116.67 119.54 3kfb s ASP 351 Ca 0.00 2.06 -0.08 0.00 0.71 0.00 0.00 52.55 55.24 3kfb s ASP 351 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3kfb s ASP 351 CO 0.00 -0.59 0.09 -0.94 0.21 0.00 0.00 175.17 173.94 3kfb s SER 352 N -1.59 5.76 0.20 0.27 1.04 -1.26 -1.99 113.70 116.13 3kfb s SER 352 Ca 0.60 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.13 3kfb s SER 352 Cb -0.22 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 3kfb s SER 352 CO 0.27 0.13 0.02 -0.04 0.98 0.00 0.00 173.24 174.60 3kfb s MET 353 N 0.66 1.23 -0.38 4.02 -1.94 -0.50 -4.61 119.30 117.77 3kfb s MET 353 Ca 0.05 -1.62 -0.16 0.00 -1.71 0.00 0.00 55.69 52.26 3kfb s MET 353 Cb -0.13 -0.34 0.00 0.00 2.01 0.00 0.00 34.83 36.38 3kfb s MET 353 CO 0.01 -0.16 0.38 0.42 -0.01 0.00 0.00 175.02 175.66 3kfb s ILE 354 N -3.63 5.15 -0.46 2.53 1.01 -0.90 -1.64 121.20 123.27 3kfb s ILE 354 Ca 0.28 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3kfb s ILE 354 Cb 0.06 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.66 3kfb s ILE 354 CO 0.07 -0.23 0.73 -0.36 0.00 0.00 0.00 174.94 175.15 3kfb s PHE 355 N 2.01 3.01 -0.76 3.97 0.40 0.97 -2.07 117.98 125.51 3kfb s PHE 355 Ca 0.11 0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.31 3kfb s PHE 355 Cb -0.17 -3.55 0.20 0.00 0.51 0.00 0.00 43.02 40.01 3kfb s PHE 355 CO 0.12 -0.97 0.71 0.08 0.70 0.00 0.00 175.22 175.86 3kfb s VAL 356 N 3.10 5.52 0.43 -0.44 1.01 -0.85 -1.35 120.40 127.81 3kfb s VAL 356 Ca 0.26 -2.25 0.03 0.00 0.00 0.00 0.00 61.98 60.02 3kfb s VAL 356 Cb -0.13 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 3kfb s VAL 356 CO 0.20 -0.99 0.10 -1.84 0.00 0.00 0.00 175.10 172.57 3kfb n GLU 357 N 4.26 0.67 -3.58 2.72 0.28 0.01 -1.30 120.64 123.69 3kfb n GLU 357 Ca 0.07 -3.41 -0.20 0.00 -0.16 0.00 0.00 57.16 53.46 3kfb n GLU 357 Cb 0.45 1.54 0.06 0.00 1.43 0.00 0.00 31.44 34.92 3kfb n GLU 357 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kfb n GLU 358 N -1.00 -5.91 -2.37 3.44 1.02 -1.12 -2.06 120.64 112.65 3kfb n GLU 358 Ca -0.10 0.74 -0.30 0.00 -0.02 0.00 0.00 57.16 57.48 3kfb n GLU 358 Cb 0.60 -5.55 -0.00 0.00 -0.02 0.00 0.00 31.44 26.47 3kfb n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfb h LYS 360 N 0.25 -0.09 -2.90 0.00 1.79 -1.86 -3.43 116.57 110.33 3kfb h LYS 360 Ca -0.46 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.41 3kfb h LYS 360 Cb 1.19 0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 31.46 3kfb h LYS 360 CO 0.62 -0.06 -0.70 -1.58 -1.08 0.00 0.00 179.45 176.65 3kfb s HIS 361 N -1.73 2.69 0.12 -1.35 2.46 -1.26 -5.10 115.29 111.11 3kfb s HIS 361 Ca -0.01 -2.95 -0.29 0.00 0.47 0.00 0.00 55.06 52.28 3kfb s HIS 361 Cb 0.00 -2.13 -0.06 0.00 -0.13 0.00 0.00 32.58 30.26 3kfb s HIS 361 CO 0.04 -0.66 0.92 -2.14 -2.47 0.00 0.00 174.74 170.43 3kfb s PRO 362 N -0.76 4.68 0.00 2.88 0.02 -1.25 -4.84 135.00 135.73 3kfb s PRO 362 Ca 0.26 1.38 0.16 0.00 0.02 0.00 0.00 61.00 62.82 3kfb s PRO 362 Cb -0.06 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 31.10 3kfb s PRO 362 CO -0.14 0.28 0.87 1.63 -0.33 0.00 0.00 177.00 179.31 3kfb n LYS 363 N 2.56 1.64 -4.51 5.54 4.76 -0.43 -4.64 118.16 123.08 3kfb n LYS 363 Ca 0.01 -0.83 -0.23 0.00 -2.87 0.00 0.00 58.31 54.38 3kfb n LYS 363 Cb 0.49 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 3kfb n LYS 363 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfb s ALA 364 N -1.92 1.54 -0.03 7.82 0.00 -1.24 -4.61 121.76 123.32 3kfb s ALA 364 Ca 0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 3kfb s ALA 364 Cb 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3kfb s ALA 364 CO 0.41 0.33 0.12 0.08 0.00 0.00 0.00 175.76 176.70 3kfb s VAL 365 N -0.85 0.03 -0.16 0.00 1.01 -0.75 -4.36 120.40 115.32 3kfb s VAL 365 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 3kfb s VAL 365 Cb -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3kfb s VAL 365 CO 0.02 -0.12 0.01 -0.89 0.00 0.00 0.00 175.10 174.12 3kfb s THR 366 N -0.38 4.37 -0.39 3.92 2.01 -0.63 0.08 115.64 124.62 3kfb s THR 366 Ca -0.05 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 3kfb s THR 366 Cb -0.03 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.59 3kfb s THR 366 CO 0.00 0.50 0.23 -0.04 -0.69 0.00 0.00 174.62 174.63 3kfb s MET 367 N 0.14 2.79 -0.75 4.92 -1.94 0.15 -0.52 119.30 124.09 3kfb s MET 367 Ca 0.02 -1.18 -0.21 0.00 -1.71 0.00 0.00 55.69 52.60 3kfb s MET 367 Cb -0.13 -3.78 0.09 0.00 2.01 0.00 0.00 34.83 33.02 3kfb s MET 367 CO 0.02 -0.78 1.03 -1.17 -0.01 0.00 0.00 175.02 174.10 3kfb s LEU 368 N 1.54 4.57 -0.30 -0.03 2.96 -0.63 -1.44 118.68 125.34 3kfb s LEU 368 Ca 0.02 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 52.39 3kfb s LEU 368 Cb -0.20 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3kfb s LEU 368 CO 0.06 -1.33 0.70 -0.63 -1.32 0.00 0.00 176.35 173.83 3kfb s ILE 369 N 3.67 4.88 0.18 6.68 1.01 0.35 -2.33 121.20 135.65 3kfb s ILE 369 Ca 0.26 1.01 0.11 0.00 0.00 0.00 0.00 60.65 62.03 3kfb s ILE 369 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3kfb s ILE 369 CO 0.03 -0.17 -0.23 -0.13 0.00 0.00 0.00 174.94 174.44 3kfb s ARG 370 N 2.74 1.47 0.04 2.79 0.52 -1.26 -2.77 118.95 122.48 3kfb s ARG 370 Ca 0.28 -1.49 -0.28 0.00 -0.52 0.00 0.00 55.73 53.72 3kfb s ARG 370 Cb -0.15 -1.76 0.10 0.00 0.52 0.00 0.00 34.95 33.67 3kfb s ARG 370 CO 0.12 0.38 1.19 0.20 0.02 0.00 0.00 175.30 177.21 3kfb s GLY 371 N -2.62 -0.31 0.10 -3.53 0.00 -1.24 -1.37 107.32 98.35 3kfb s GLY 371 Ca 0.19 0.42 -0.10 0.00 0.00 0.00 0.00 44.72 45.23 3kfb s GLY 371 CO 0.09 0.74 1.26 -0.91 0.00 0.00 0.00 173.10 174.29 3kfb h THR 372 N 2.00 1.32 -2.87 0.90 1.35 -1.87 -3.25 112.91 110.48 3kfb h THR 372 Ca -0.28 -2.24 -0.54 0.00 -0.55 0.00 0.00 66.41 62.80 3kfb h THR 372 Cb 1.21 2.29 -0.16 0.00 -1.73 0.00 0.00 68.15 69.76 3kfb h THR 372 CO 0.28 0.69 -0.77 0.42 -0.25 0.00 0.00 175.52 175.90 3kfb s THR 373 N -3.41 2.02 0.39 6.82 -4.23 -1.26 -4.74 115.64 111.22 3kfb s THR 373 Ca -0.08 -2.15 0.09 0.00 -1.18 0.00 0.00 61.69 58.37 3kfb s THR 373 Cb 0.08 -2.05 0.16 0.00 1.34 0.00 0.00 72.50 72.03 3kfb s THR 373 CO 0.90 -0.40 1.92 -0.08 -0.54 0.00 0.00 174.62 176.41 3kfb h GLU 374 N 2.78 0.24 0.00 3.99 4.57 -1.99 -1.93 114.58 122.24 3kfb h GLU 374 Ca -0.41 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.63 3kfb h GLU 374 Cb 1.22 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3kfb h GLU 374 CO 0.56 0.38 -0.43 0.45 -1.18 0.00 0.00 179.01 178.78 3kfb h HIS 375 N 0.23 0.00 -0.09 0.92 3.86 -1.98 -1.18 115.15 116.91 3kfb h HIS 375 Ca 0.05 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 3kfb h HIS 375 Cb 0.36 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.84 3kfb h HIS 375 CO 0.01 0.43 -0.50 0.28 0.86 0.00 0.00 177.93 179.02 3kfb h VAL 376 N 0.00 1.38 -0.39 2.45 2.07 -1.85 -3.05 116.25 116.86 3kfb h VAL 376 Ca -0.00 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.70 3kfb h VAL 376 Cb 1.15 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 3kfb h VAL 376 CO 0.06 0.55 0.21 0.40 0.02 0.00 0.00 177.57 178.81 3kfb h ILE 377 N 0.07 1.01 0.00 4.57 2.04 -1.24 -2.45 117.51 121.51 3kfb h ILE 377 Ca -0.04 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 3kfb h ILE 377 Cb 1.15 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3kfb h ILE 377 CO 0.10 0.08 -0.24 -0.08 0.00 0.00 0.00 178.15 178.01 3kfb h GLU 378 N 0.43 0.00 0.17 2.37 4.81 -1.24 -0.70 114.58 120.41 3kfb h GLU 378 Ca 0.16 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.09 3kfb h GLU 378 Cb 0.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kfb h GLU 378 CO -0.09 0.24 -1.35 1.49 -0.73 0.00 0.00 179.01 178.56 3kfb h GLU 379 N 0.00 0.36 -0.08 1.92 4.57 -1.38 -2.73 114.58 117.23 3kfb h GLU 379 Ca -0.00 -0.61 -0.06 0.00 -1.18 0.00 0.00 59.36 57.51 3kfb h GLU 379 Cb 0.44 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3kfb h GLU 379 CO 0.03 1.28 -0.24 0.28 -1.18 0.00 0.00 179.01 179.18 3kfb h VAL 380 N 0.10 1.21 -0.74 0.32 2.07 -1.15 -1.98 116.25 116.09 3kfb h VAL 380 Ca -0.19 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3kfb h VAL 380 Cb 2.04 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 3kfb h VAL 380 CO 0.22 0.30 0.21 0.00 0.02 0.00 0.00 177.57 178.32 3kfb h ALA 381 N 1.62 0.97 0.00 1.67 0.00 -1.10 -2.37 119.26 120.05 3kfb h ALA 381 Ca 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3kfb h ALA 381 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kfb h ALA 381 CO 0.04 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.71 3kfb h ARG 382 N 1.11 0.00 0.00 0.00 3.08 -1.12 -2.35 114.38 115.10 3kfb h ARG 382 Ca 0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 3kfb h ARG 382 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3kfb h ARG 382 CO -0.00 0.25 -0.48 0.00 -1.07 0.00 0.00 179.97 178.66 3kfb h ALA 383 N 1.75 0.79 0.02 0.04 0.00 -0.90 -3.07 119.26 117.89 3kfb h ALA 383 Ca -0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3kfb h ALA 383 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3kfb h ALA 383 CO 0.03 0.60 -1.42 0.28 0.00 0.00 0.00 179.25 178.74 3kfb h VAL 384 N 0.00 1.22 -0.14 0.00 2.07 -1.17 -2.57 116.25 115.66 3kfb h VAL 384 Ca -0.00 -2.99 -0.07 0.00 0.82 0.00 0.00 66.70 64.46 3kfb h VAL 384 Cb 1.20 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 3kfb h VAL 384 CO 0.06 0.73 -0.23 0.44 0.02 0.00 0.00 177.57 178.60 3kfb h ASP 385 N 0.01 0.24 0.02 0.57 3.32 -1.44 0.11 116.42 119.24 3kfb h ASP 385 Ca -0.18 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.65 3kfb h ASP 385 Cb 1.92 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 41.42 3kfb h ASP 385 CO 0.11 0.47 -0.64 0.44 -1.72 0.00 0.00 179.24 177.91 3kfb h ASP 386 N 0.22 0.54 -0.32 6.45 5.19 -1.59 -2.56 116.42 124.35 3kfb h ASP 386 Ca 0.04 -0.78 -0.05 0.00 -0.62 0.00 0.00 57.03 55.61 3kfb h ASP 386 Cb 0.53 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3kfb h ASP 386 CO 0.04 1.25 0.03 0.00 -3.12 0.00 0.00 179.24 177.44 3kfb h ALA 387 N 0.30 1.28 -0.18 3.45 0.00 -1.19 -2.18 119.26 120.74 3kfb h ALA 387 Ca -0.08 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3kfb h ALA 387 Cb 1.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kfb h ALA 387 CO 0.13 0.49 -0.52 0.28 0.00 0.00 0.00 179.25 179.63 3kfb h VAL 388 N 0.62 1.33 -0.21 0.00 2.07 -0.86 -2.71 116.25 116.48 3kfb h VAL 388 Ca 0.13 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3kfb h VAL 388 Cb 0.34 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3kfb h VAL 388 CO 0.01 0.54 0.14 1.23 0.02 0.00 0.00 177.57 179.51 3kfb h GLY 389 N 1.13 0.30 1.92 2.17 0.00 -0.97 -1.90 103.07 105.71 3kfb h GLY 389 Ca 0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3kfb h GLY 389 CO 0.09 0.11 -0.80 -0.39 0.00 0.00 0.00 176.54 175.55 3kfb h VAL 390 N 0.28 1.53 -0.16 4.60 -1.51 -1.43 -1.98 116.25 117.57 3kfb h VAL 390 Ca 0.08 -2.62 -0.18 0.00 -1.23 0.00 0.00 66.70 62.74 3kfb h VAL 390 Cb -0.02 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3kfb h VAL 390 CO -0.02 0.76 -0.65 0.58 -1.23 0.00 0.00 177.57 177.01 3kfb h VAL 391 N 0.04 1.32 -0.28 7.19 2.07 -1.48 -2.52 116.25 122.60 3kfb h VAL 391 Ca -0.02 -1.92 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 3kfb h VAL 391 Cb 1.41 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3kfb h VAL 391 CO 0.11 0.60 -0.15 1.23 0.02 0.00 0.00 177.57 179.37 3kfb h GLY 392 N 0.98 0.53 2.00 2.17 0.00 -1.26 -2.08 103.07 105.42 3kfb h GLY 392 Ca -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3kfb h GLY 392 CO 0.12 0.35 -0.30 0.00 0.00 0.00 0.00 176.54 176.72 3kfb h THR 394 N 0.00 1.12 -0.64 0.00 2.02 -1.12 -1.61 112.91 112.68 3kfb h THR 394 Ca -0.00 -2.79 -0.01 0.00 0.77 0.00 0.00 66.41 64.38 3kfb h THR 394 Cb 0.78 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 3kfb h THR 394 CO 0.04 0.80 0.36 0.40 0.37 0.00 0.00 175.52 177.49 3kfb h ILE 395 N 0.06 1.20 0.11 3.11 2.04 -1.39 -0.89 117.51 121.75 3kfb h ILE 395 Ca -0.25 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3kfb h ILE 395 Cb 2.01 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3kfb h ILE 395 CO 0.15 0.22 -0.05 -0.33 0.00 0.00 0.00 178.15 178.13 3kfb h GLU 396 N 0.87 -0.15 0.00 2.37 5.08 -1.52 -3.40 114.58 117.84 3kfb h GLU 396 Ca 0.23 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3kfb h GLU 396 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kfb h GLU 396 CO -0.04 0.35 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.80 3kfb h ASP 397 N -0.81 0.07 -0.09 1.42 3.45 -1.39 -3.48 116.42 115.59 3kfb h ASP 397 Ca -0.02 -0.81 -0.04 0.00 0.43 0.00 0.00 57.03 56.59 3kfb h ASP 397 Cb 0.56 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 3kfb h ASP 397 CO 0.03 0.87 -0.03 0.61 -1.57 0.00 0.00 179.24 179.15 3kfb n GLY 398 N 1.12 0.54 2.96 2.75 0.00 -0.34 -5.01 105.19 107.22 3kfb n GLY 398 Ca -0.10 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 3kfb n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kfb s ARG 399 N -1.44 1.16 0.19 1.61 0.52 -1.26 -0.46 118.95 119.27 3kfb s ARG 399 Ca 0.00 -0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.03 3kfb s ARG 399 Cb 0.00 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.38 3kfb s ARG 399 CO 0.00 -0.00 -0.15 0.96 0.02 0.00 0.00 175.30 176.13 3kfb s ILE 400 N 0.67 1.70 0.29 1.52 -4.36 -0.29 -0.68 121.20 120.05 3kfb s ILE 400 Ca -0.11 -2.14 0.05 0.00 -0.26 0.00 0.00 60.65 58.19 3kfb s ILE 400 Cb -0.14 -1.98 -0.06 0.00 1.25 0.00 0.00 42.46 41.53 3kfb s ILE 400 CO 0.02 -0.56 -0.00 0.68 0.24 0.00 0.00 174.94 175.31 3kfb s VAL 401 N -2.82 1.40 0.32 8.37 -7.23 0.12 -0.61 120.40 119.94 3kfb s VAL 401 Ca 0.21 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.15 3kfb s VAL 401 Cb -0.01 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 3kfb s VAL 401 CO 0.06 -0.18 0.76 -0.94 -0.31 0.00 0.00 175.10 174.50 3kfb s SER 402 N -3.45 6.87 0.00 4.85 1.04 -1.26 -0.62 113.70 121.13 3kfb s SER 402 Ca 0.32 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.12 3kfb s SER 402 Cb 0.06 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.77 3kfb s SER 402 CO 0.13 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3kfb n GLY 403 N -0.16 2.30 2.23 7.32 0.00 -0.35 -3.59 105.19 112.95 3kfb n GLY 403 Ca 0.03 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 3kfb n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfb n GLY 404 N 5.00 -0.10 2.29 -0.02 0.00 -1.26 -2.34 105.19 108.77 3kfb n GLY 404 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 3kfb n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfb n GLY 405 N -1.02 0.82 0.09 -0.02 0.00 -1.26 -3.27 105.19 100.53 3kfb n GLY 405 Ca -0.13 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3kfb n GLY 405 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kfb h SER 406 N 0.00 -0.07 0.31 1.61 0.87 -1.67 -3.00 113.55 111.60 3kfb h SER 406 Ca -0.12 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 3kfb h SER 406 Cb 0.51 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3kfb h SER 406 CO 0.18 0.54 0.00 0.35 -0.53 0.00 0.00 176.83 177.38 3kfb n THR 407 N -4.83 0.42 0.08 2.23 -2.24 -1.24 -2.40 114.28 106.29 3kfb n THR 407 Ca -0.08 0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 3kfb n THR 407 Cb 0.30 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.57 3kfb n THR 407 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kfb h GLU 408 N 0.00 0.40 -0.10 -0.78 3.07 -1.89 -2.50 114.58 112.78 3kfb h GLU 408 Ca 0.00 -0.69 -0.01 0.00 -0.50 0.00 0.00 59.36 58.16 3kfb h GLU 408 Cb 0.15 0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kfb h GLU 408 CO 0.00 1.33 0.02 0.28 -1.40 0.00 0.00 179.01 179.24 3kfb h VAL 409 N 0.07 1.21 -0.41 3.13 2.07 -1.38 0.27 116.25 121.21 3kfb h VAL 409 Ca -0.33 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3kfb h VAL 409 Cb 2.08 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 3kfb h VAL 409 CO 0.18 0.19 0.25 -0.08 0.02 0.00 0.00 177.57 178.13 3kfb h GLU 410 N -0.05 0.50 -0.07 1.57 4.57 -1.63 -1.07 114.58 118.39 3kfb h GLU 410 Ca 0.03 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3kfb h GLU 410 Cb 0.28 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3kfb h GLU 410 CO 0.00 0.33 -0.29 1.25 -1.18 0.00 0.00 179.01 179.12 3kfb h LEU 411 N 0.51 0.13 -0.07 1.64 5.85 -1.39 -2.71 115.31 119.26 3kfb h LEU 411 Ca 0.16 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kfb h LEU 411 Cb -0.01 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3kfb h LEU 411 CO -0.06 0.42 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.18 3kfb h SER 412 N 0.11 0.13 0.83 1.25 0.87 0.18 -2.54 113.55 114.39 3kfb h SER 412 Ca 0.02 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 3kfb h SER 412 Cb 0.58 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3kfb h SER 412 CO 0.04 0.42 -0.36 0.00 -0.53 0.00 0.00 176.83 176.40 3kfb h MET 413 N -0.17 0.00 0.00 2.24 -0.00 -1.16 -2.59 114.93 113.25 3kfb h MET 413 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.54 3kfb h MET 413 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.93 3kfb h MET 413 CO 0.00 0.36 -0.88 0.87 -0.00 0.00 0.00 176.91 177.27 3kfb h LYS 414 N 0.00 0.00 0.00 -0.10 1.79 -1.49 -3.08 116.57 113.69 3kfb h LYS 414 Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 3kfb h LYS 414 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3kfb h LYS 414 CO 0.05 0.88 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.80 3kfb h LEU 415 N 0.00 0.00 -0.35 2.94 3.38 -1.24 -2.61 115.31 117.43 3kfb h LEU 415 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3kfb h LEU 415 Cb 1.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3kfb h LEU 415 CO 0.11 0.43 -0.83 0.03 0.09 0.00 0.00 178.44 178.27 3kfb h ARG 416 N 0.00 0.06 0.00 1.13 3.08 -1.42 -1.17 114.38 116.07 3kfb h ARG 416 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kfb h ARG 416 Cb 1.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3kfb h ARG 416 CO 0.06 0.86 -0.67 1.05 -1.07 0.00 0.00 179.97 180.19 3kfb h GLU 417 N 0.04 0.00 0.00 0.04 4.11 -1.57 -3.10 114.58 114.10 3kfb h GLU 417 Ca -0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.26 3kfb h GLU 417 Cb 1.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 3kfb h GLU 417 CO 0.11 0.00 -0.70 -0.92 0.07 0.00 0.00 179.01 177.58 3kfb h TYR 418 N 0.00 0.00 -0.09 2.06 3.20 -1.30 -3.29 116.97 117.55 3kfb h TYR 418 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3kfb h TYR 418 Cb 0.79 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3kfb h TYR 418 CO 0.00 0.70 -0.60 0.00 -1.64 0.00 0.00 178.16 176.62 3kfb h ALA 419 N 1.30 0.83 0.00 1.82 0.00 -1.14 -2.98 119.26 119.08 3kfb h ALA 419 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3kfb h ALA 419 Cb 1.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kfb h ALA 419 CO 0.09 0.72 -0.03 0.93 0.00 0.00 0.00 179.25 180.96 3kfb h GLU 420 N 0.21 0.00 -0.82 0.00 5.08 -1.61 -1.56 114.58 115.89 3kfb h GLU 420 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kfb h GLU 420 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3kfb h GLU 420 CO 0.10 0.03 0.04 0.41 -1.00 0.00 0.00 179.01 178.58 3kfb n GLY 421 N -1.23 2.36 3.04 -3.84 0.00 -1.13 -4.80 105.19 99.60 3kfb n GLY 421 Ca -0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3kfb n GLY 421 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfb s ILE 422 N -1.86 1.58 0.08 -0.61 1.01 -0.59 -5.11 121.20 115.70 3kfb s ILE 422 Ca 0.27 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 3kfb s ILE 422 Cb 0.21 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3kfb s ILE 422 CO 0.08 0.46 0.33 -0.94 0.00 0.00 0.00 174.94 174.87 3kfb s SER 423 N 1.26 6.52 0.00 3.58 1.04 -1.26 -4.68 113.70 120.16 3kfb s SER 423 Ca -0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3kfb s SER 423 Cb -0.14 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3kfb s SER 423 CO -0.07 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.92 3kfb n GLY 424 N 0.63 1.12 0.07 7.32 0.00 -1.26 -4.71 105.19 108.35 3kfb n GLY 424 Ca -0.07 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.89 3kfb n GLY 424 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kfb n ARG 425 N -0.34 0.20 0.28 1.61 0.63 -1.26 -2.70 116.66 115.08 3kfb n ARG 425 Ca 0.00 0.12 0.13 0.00 -0.92 0.00 0.00 57.85 57.18 3kfb n ARG 425 Cb 0.00 -1.69 0.82 0.00 0.45 0.00 0.00 32.46 32.04 3kfb n ARG 425 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3kfb h GLU 426 N 0.00 0.00 -0.77 -0.14 4.11 -1.84 -1.95 114.58 113.99 3kfb h GLU 426 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.56 3kfb h GLU 426 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3kfb h GLU 426 CO 0.00 0.04 0.51 0.37 0.07 0.00 0.00 179.01 179.99 3kfb h GLN 427 N 0.00 0.49 0.00 1.06 4.15 -1.78 -0.44 115.11 118.59 3kfb h GLN 427 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3kfb h GLN 427 Cb 0.09 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3kfb h GLN 427 CO 0.00 0.33 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.02 3kfb h LEU 428 N 0.51 0.00 0.04 -2.39 3.38 -1.57 -2.48 115.31 112.80 3kfb h LEU 428 Ca 0.37 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.06 3kfb h LEU 428 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3kfb h LEU 428 CO -0.13 0.15 -1.51 0.00 0.09 0.00 0.00 178.44 177.04 3kfb h ALA 429 N 1.85 0.53 -0.41 1.53 0.00 -1.21 -2.74 119.26 118.82 3kfb h ALA 429 Ca -0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 54.91 53.59 3kfb h ALA 429 Cb 0.59 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kfb h ALA 429 CO 0.02 1.38 -0.07 0.28 0.00 0.00 0.00 179.25 180.87 3kfb h VAL 430 N 0.02 1.27 -0.36 0.00 2.07 -1.37 -0.84 116.25 117.04 3kfb h VAL 430 Ca -0.21 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 3kfb h VAL 430 Cb 1.95 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3kfb h VAL 430 CO 0.11 0.38 0.03 0.03 0.02 0.00 0.00 177.57 178.15 3kfb h ARG 431 N 0.58 0.54 -0.53 1.57 3.08 -1.54 -1.46 114.38 116.62 3kfb h ARG 431 Ca 0.11 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3kfb h ARG 431 Cb 0.58 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3kfb h ARG 431 CO 0.03 0.54 -0.12 0.00 -1.07 0.00 0.00 179.97 179.36 3kfb h ALA 432 N 1.52 0.73 -0.45 0.04 0.00 -1.29 -1.53 119.26 118.28 3kfb h ALA 432 Ca 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3kfb h ALA 432 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kfb h ALA 432 CO 0.01 0.66 0.07 0.35 0.00 0.00 0.00 179.25 180.34 3kfb h PHE 433 N 0.90 0.80 -0.47 0.00 3.57 -0.95 -1.70 116.94 119.09 3kfb h PHE 433 Ca 0.14 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3kfb h PHE 433 Cb 0.69 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3kfb h PHE 433 CO 0.05 0.75 0.23 0.00 -2.23 0.00 0.00 178.31 177.11 3kfb h ALA 434 N 0.95 0.61 0.00 2.41 0.00 -1.07 -2.71 119.26 119.44 3kfb h ALA 434 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kfb h ALA 434 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kfb h ALA 434 CO 0.01 0.17 -0.15 -0.44 0.00 0.00 0.00 179.25 178.83 3kfb h ASP 435 N 0.62 0.00 0.38 0.00 3.32 -1.18 -2.67 116.42 116.90 3kfb h ASP 435 Ca 0.16 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3kfb h ASP 435 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kfb h ASP 435 CO -0.02 0.15 -0.71 0.00 -1.72 0.00 0.00 179.24 176.95 3kfb h ALA 436 N 1.85 0.70 0.00 3.45 0.00 -0.99 -3.11 119.26 121.15 3kfb h ALA 436 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3kfb h ALA 436 Cb 0.62 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kfb h ALA 436 CO 0.02 0.78 -0.10 -0.07 0.00 0.00 0.00 179.25 179.88 3kfb h LEU 437 N 0.19 0.00 0.00 0.00 3.38 -1.34 -2.21 115.31 115.34 3kfb h LEU 437 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kfb h LEU 437 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kfb h LEU 437 CO 0.11 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 178.12 3kfb n GLU 438 N -4.01 0.60 0.18 1.13 1.02 -1.18 -3.06 120.64 115.31 3kfb n GLU 438 Ca -0.02 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 3kfb n GLU 438 Cb 0.19 -1.07 0.11 0.00 -0.02 0.00 0.00 31.44 30.64 3kfb n GLU 438 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kfb h VAL 439 N 0.00 0.50 -0.05 2.62 3.04 -1.59 -3.03 116.25 117.73 3kfb h VAL 439 Ca 0.00 -1.67 -0.05 0.00 -1.01 0.00 0.00 66.70 63.97 3kfb h VAL 439 Cb 0.00 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 3kfb h VAL 439 CO 0.00 0.28 -0.15 0.40 -1.01 0.00 0.00 177.57 177.09 3kfb h ILE 440 N 0.00 1.45 -0.38 3.17 1.08 -1.80 -1.98 117.51 119.06 3kfb h ILE 440 Ca -0.00 -1.57 -0.05 0.00 -0.39 0.00 0.00 64.86 62.85 3kfb h ILE 440 Cb 1.20 2.37 -0.02 0.00 -3.07 0.00 0.00 36.82 37.30 3kfb h ILE 440 CO 0.04 0.43 0.03 -0.65 -0.69 0.00 0.00 178.15 177.32 3kfb h PRO 441 N -0.36 0.58 -0.08 2.37 0.11 -1.80 -2.48 132.00 130.34 3kfb h PRO 441 Ca -0.01 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3kfb h PRO 441 Cb 0.78 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kfb h PRO 441 CO 0.03 0.58 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.17 3kfb h ARG 442 N 0.56 0.24 0.00 1.05 2.43 -1.57 -2.93 114.38 114.16 3kfb h ARG 442 Ca 0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3kfb h ARG 442 Cb 0.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kfb h ARG 442 CO 0.01 0.73 0.00 1.79 -1.51 0.00 0.00 179.97 180.99 3kfb h THR 443 N -0.23 0.00 -0.14 0.20 1.35 -1.36 -1.38 112.91 111.35 3kfb h THR 443 Ca 0.00 -0.41 -0.17 0.00 -0.55 0.00 0.00 66.41 65.29 3kfb h THR 443 Cb 0.72 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3kfb h THR 443 CO 0.03 0.00 -0.62 -0.07 -0.25 0.00 0.00 175.52 174.61 3kfb h LEU 444 N 0.00 0.55 -0.05 3.87 3.38 -1.38 -2.92 115.31 118.76 3kfb h LEU 444 Ca 0.00 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3kfb h LEU 444 Cb 0.53 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kfb h LEU 444 CO 0.00 1.03 -0.55 0.00 0.09 0.00 0.00 178.44 179.02 3kfb h ALA 445 N 0.97 0.13 -0.15 1.53 0.00 -1.23 -2.83 119.26 117.69 3kfb h ALA 445 Ca -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.41 3kfb h ALA 445 Cb 1.17 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3kfb h ALA 445 CO 0.11 0.36 -0.18 0.93 0.00 0.00 0.00 179.25 180.46 3kfb h GLU 446 N -0.00 -0.22 0.00 0.00 5.08 -1.34 -2.13 114.58 115.97 3kfb h GLU 446 Ca -0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3kfb h GLU 446 Cb 1.22 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3kfb h GLU 446 CO 0.11 -0.14 -0.21 -0.91 -1.00 0.00 0.00 179.01 176.85 3kfb h ASN 447 N -0.22 0.00 1.03 1.42 2.35 -1.60 -2.27 115.58 116.29 3kfb h ASN 447 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3kfb h ASN 447 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3kfb h ASN 447 CO -0.28 0.21 -0.35 0.00 -1.65 0.00 0.00 177.43 175.37 3kfb h ALA 448 N 1.79 0.93 0.00 -0.83 0.00 -1.20 -3.42 119.26 116.53 3kfb h ALA 448 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kfb h ALA 448 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kfb h ALA 448 CO 0.03 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3kfb n GLY 449 N 0.44 2.91 3.68 0.00 0.00 -0.86 -5.08 105.19 106.28 3kfb n GLY 449 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3kfb n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfb s LEU 450 N 0.00 1.67 -0.46 0.99 1.02 -0.88 -4.94 118.68 116.08 3kfb s LEU 450 Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 54.13 55.08 3kfb s LEU 450 Cb 0.00 -3.43 0.03 0.00 0.02 0.00 0.00 46.19 42.81 3kfb s LEU 450 CO 0.00 -3.08 1.19 -0.62 0.02 0.00 0.00 176.35 173.86 3kfb s ASP 451 N -3.46 6.58 0.30 2.29 3.68 -1.26 -4.35 116.67 120.45 3kfb s ASP 451 Ca 0.65 0.56 0.07 0.00 2.13 0.00 0.00 52.55 55.95 3kfb s ASP 451 Cb -0.18 -2.55 0.47 0.00 -1.45 0.00 0.00 42.92 39.20 3kfb s ASP 451 CO 0.57 -1.28 1.71 0.00 0.13 0.00 0.00 175.17 176.30 3kfb h ALA 452 N 9.49 1.12 0.01 3.66 0.00 -1.87 -2.13 119.26 129.54 3kfb h ALA 452 Ca -0.24 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 3kfb h ALA 452 Cb 1.07 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3kfb h ALA 452 CO 1.12 0.58 -0.71 0.82 0.00 0.00 0.00 179.25 181.06 3kfb h ILE 453 N 0.20 1.40 -0.18 0.00 2.04 -1.93 -2.59 117.51 116.44 3kfb h ILE 453 Ca 0.02 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.71 3kfb h ILE 453 Cb 0.80 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 3kfb h ILE 453 CO 0.06 0.63 0.01 -0.08 0.00 0.00 0.00 178.15 178.78 3kfb h GLU 454 N -0.02 0.32 -0.57 2.37 4.57 -1.97 -3.12 114.58 116.16 3kfb h GLU 454 Ca -0.09 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3kfb h GLU 454 Cb 1.42 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 3kfb h GLU 454 CO 0.14 0.51 0.21 0.82 -1.18 0.00 0.00 179.01 179.50 3kfb h ILE 455 N 0.09 1.23 -0.01 2.32 2.04 -1.46 -2.18 117.51 119.54 3kfb h ILE 455 Ca 0.05 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kfb h ILE 455 Cb 0.36 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3kfb h ILE 455 CO 0.01 0.28 0.04 0.25 0.00 0.00 0.00 178.15 178.73 3kfb h LEU 456 N 0.79 0.00 0.08 1.44 5.85 -1.45 -1.31 115.31 120.70 3kfb h LEU 456 Ca 0.19 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.58 3kfb h LEU 456 Cb 0.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3kfb h LEU 456 CO -0.01 0.00 -1.78 0.58 -0.34 0.00 0.00 178.44 176.89 3kfb h VAL 457 N 0.00 0.83 -0.06 1.05 2.07 -1.34 -2.89 116.25 115.91 3kfb h VAL 457 Ca 0.00 -2.59 -0.12 0.00 0.82 0.00 0.00 66.70 64.82 3kfb h VAL 457 Cb 0.09 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3kfb h VAL 457 CO -0.00 0.73 -0.51 0.11 0.02 0.00 0.00 177.57 177.92 3kfb h LYS 458 N 0.04 0.15 0.09 1.57 1.57 -1.04 -1.65 116.57 117.30 3kfb h LYS 458 Ca -0.33 -0.09 -0.27 0.00 -1.87 0.00 0.00 60.65 58.10 3kfb h LYS 458 Cb 2.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 3kfb h LYS 458 CO 0.10 0.63 -1.28 0.28 -0.57 0.00 0.00 179.45 178.61 3kfb h VAL 459 N 0.12 1.44 -0.33 0.50 2.07 -1.40 -2.56 116.25 116.09 3kfb h VAL 459 Ca 0.00 -3.06 -0.14 0.00 0.82 0.00 0.00 66.70 64.32 3kfb h VAL 459 Cb 0.94 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3kfb h VAL 459 CO 0.07 0.88 -0.37 -0.09 0.02 0.00 0.00 177.57 178.09 3kfb h ARG 460 N 0.05 0.76 0.00 1.57 2.43 -1.46 -3.03 114.38 114.71 3kfb h ARG 460 Ca -0.14 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 3kfb h ARG 460 Cb 1.94 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 3kfb h ARG 460 CO 0.17 1.00 -0.19 0.00 -1.51 0.00 0.00 179.97 179.45 3kfb h ALA 461 N 0.96 0.90 -0.25 2.80 0.00 -1.37 -3.06 119.26 119.24 3kfb h ALA 461 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kfb h ALA 461 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kfb h ALA 461 CO 0.08 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3kfb n ALA 462 N -2.15 2.49 -0.01 0.00 0.00 -0.96 -3.62 120.51 116.25 3kfb n ALA 462 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.92 3kfb n ALA 462 Cb 0.57 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3kfb n ALA 462 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kfb n HIS 463 N 0.44 0.00 -2.09 0.00 -0.00 -1.16 -1.75 115.22 110.66 3kfb n HIS 463 Ca 0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.49 3kfb n HIS 463 Cb 0.33 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 3kfb n HIS 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kfb s ALA 464 N -2.58 3.06 0.00 -1.41 0.00 -1.20 -4.42 121.76 115.22 3kfb s ALA 464 Ca -0.04 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3kfb s ALA 464 Cb 0.05 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3kfb s ALA 464 CO 0.40 -0.86 0.00 -1.13 0.00 0.00 0.00 175.76 174.18 3kfb n SER 465 N -0.32 0.00 0.00 0.00 3.41 -1.26 -4.57 113.62 110.88 3kfb n SER 465 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3kfb n SER 465 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3kfb n SER 465 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kfb n ASN 466 N 5.17 0.00 -4.81 4.04 3.02 -1.26 -5.08 115.26 116.34 3kfb n ASN 466 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 3kfb n ASN 466 Cb 0.00 -0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.20 3kfb n ASN 466 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kfb s GLY 467 N -2.36 1.66 -0.25 7.41 0.00 -1.26 -4.42 107.32 108.10 3kfb s GLY 467 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.74 3kfb s GLY 467 CO 0.00 0.42 -0.18 0.70 0.00 0.00 0.00 173.10 174.04 3kfb n ASN 468 N -3.24 1.98 0.00 1.64 3.02 -0.72 -3.99 115.26 113.95 3kfb n ASN 468 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3kfb n ASN 468 Cb 0.54 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3kfb n ASN 468 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kfb n LYS 469 N -3.71 0.00 -0.44 3.52 4.81 -1.26 -4.71 118.16 116.36 3kfb n LYS 469 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.06 3kfb n LYS 469 Cb 0.94 -0.04 0.26 0.00 0.02 0.00 0.00 35.03 36.20 3kfb n LYS 469 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kfb s ALA 471 N -2.48 3.59 0.40 0.00 0.00 -1.26 -0.03 121.76 121.98 3kfb s ALA 471 Ca 0.40 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 3kfb s ALA 471 Cb 0.31 -2.42 0.06 0.00 0.00 0.00 0.00 23.12 21.07 3kfb s ALA 471 CO 0.11 -0.00 0.77 0.20 0.00 0.00 0.00 175.76 176.84 3kfb s GLY 472 N 0.63 0.52 -0.05 0.00 0.00 -0.84 -4.60 107.32 102.97 3kfb s GLY 472 Ca 0.16 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 3kfb s GLY 472 CO 0.04 -0.39 1.07 -2.27 0.00 0.00 0.00 173.10 171.55 3kfb s LEU 473 N -3.10 4.29 -0.45 0.66 2.96 -1.20 -1.73 118.68 120.10 3kfb s LEU 473 Ca 0.17 1.68 -0.15 0.00 -0.22 0.00 0.00 54.13 55.61 3kfb s LEU 473 Cb -0.05 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.14 3kfb s LEU 473 CO 0.13 -0.45 0.37 0.21 -1.32 0.00 0.00 176.35 175.29 3kfb s ASN 474 N 1.18 6.14 0.50 3.68 2.47 -1.18 -4.79 114.94 122.93 3kfb s ASN 474 Ca 0.52 -1.19 0.34 0.00 0.42 0.00 0.00 52.86 52.95 3kfb s ASN 474 Cb -0.22 -2.18 1.72 0.00 -1.45 0.00 0.00 41.25 39.13 3kfb s ASN 474 CO 0.22 -0.59 2.02 -0.37 -3.72 0.00 0.00 177.10 174.66 3kfb h VAL 475 N 5.72 0.00 0.09 -5.21 -1.51 -1.91 0.28 116.25 113.71 3kfb h VAL 475 Ca -0.28 -0.10 -0.34 0.00 -1.23 0.00 0.00 66.70 64.74 3kfb h VAL 475 Cb 1.11 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 3kfb h VAL 475 CO 0.83 0.00 -1.90 0.49 -1.23 0.00 0.00 177.57 175.77 3kfb n PHE 476 N -2.73 1.10 -0.07 5.19 3.72 -1.26 -4.34 117.46 119.07 3kfb n PHE 476 Ca -0.01 0.28 -0.15 0.00 -0.05 0.00 0.00 57.45 57.52 3kfb n PHE 476 Cb 0.11 -1.14 -0.05 0.00 -0.94 0.00 0.00 39.48 37.46 3kfb n PHE 476 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3kfb h THR 477 N -0.18 1.31 0.00 4.37 2.02 -1.87 -3.47 112.91 115.08 3kfb h THR 477 Ca -0.43 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.10 3kfb h THR 477 Cb 1.86 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 3kfb h THR 477 CO 0.00 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.02 3kfb n GLY 478 N 0.38 3.06 3.97 2.16 0.00 0.95 -5.04 105.19 110.66 3kfb n GLY 478 Ca -0.05 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 3kfb n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 479 N -0.62 3.84 -0.23 4.61 0.00 -1.26 -4.74 121.76 123.37 3kfb s ALA 479 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 3kfb s ALA 479 Cb 0.00 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.01 3kfb s ALA 479 CO 0.00 -0.68 1.08 0.54 0.00 0.00 0.00 175.76 176.70 3kfb s VAL 480 N -2.73 4.60 0.36 0.00 0.11 -1.26 -3.10 120.40 118.37 3kfb s VAL 480 Ca 0.55 1.93 0.08 0.00 -2.93 0.00 0.00 61.98 61.61 3kfb s VAL 480 Cb -0.10 -4.26 -0.07 0.00 -1.53 0.00 0.00 36.38 30.41 3kfb s VAL 480 CO 0.39 -0.19 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.23 3kfb s GLU 481 N 3.28 1.81 -0.43 1.54 2.12 -0.71 -4.90 118.70 121.42 3kfb s GLU 481 Ca 0.46 -1.97 -0.27 0.00 0.36 0.00 0.00 54.97 53.54 3kfb s GLU 481 Cb -0.16 -1.52 0.02 0.00 0.26 0.00 0.00 34.13 32.74 3kfb s GLU 481 CO 0.08 0.02 1.02 0.34 -0.54 0.00 0.00 175.26 176.18 3kfb s ASP 482 N -3.61 6.63 0.42 -1.70 -1.08 -1.26 -1.99 116.67 114.09 3kfb s ASP 482 Ca 0.33 0.45 0.23 0.00 -0.52 0.00 0.00 52.55 53.04 3kfb s ASP 482 Cb 0.06 -2.50 0.79 0.00 -1.46 0.00 0.00 42.92 39.81 3kfb s ASP 482 CO 0.16 -1.06 1.77 0.24 0.52 0.00 0.00 175.17 176.80 3kfb h MET 483 N 8.88 0.00 -0.26 4.34 2.86 -0.76 -2.64 114.93 127.35 3kfb h MET 483 Ca -0.23 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.23 3kfb h MET 483 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3kfb h MET 483 CO 1.05 0.25 -0.52 0.00 1.06 0.00 0.00 176.91 178.75 3kfb h GLU 485 N 0.58 0.00 0.13 0.00 5.08 -1.90 -3.11 114.58 115.36 3kfb h GLU 485 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 3kfb h GLU 485 Cb 1.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 3kfb h GLU 485 CO 0.12 0.00 -1.24 -0.91 -1.00 0.00 0.00 179.01 175.98 3kfb h ASN 486 N 0.00 0.57 0.00 1.42 4.21 -1.39 -3.48 115.58 116.91 3kfb h ASN 486 Ca 0.00 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 56.93 3kfb h ASN 486 Cb 0.74 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3kfb h ASN 486 CO 0.00 1.43 0.00 0.61 -1.29 0.00 0.00 177.43 178.18 3kfb n GLY 487 N 1.44 1.80 3.24 2.83 0.00 -0.85 -5.09 105.19 108.58 3kfb n GLY 487 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kfb n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfb s VAL 488 N -2.00 4.53 0.01 1.61 1.01 -0.40 -4.71 120.40 120.45 3kfb s VAL 488 Ca 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 3kfb s VAL 488 Cb 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3kfb s VAL 488 CO 0.00 -0.81 0.00 0.68 0.00 0.00 0.00 175.10 174.97 3kfb s VAL 489 N 1.37 0.06 0.11 2.92 -7.23 -1.26 -1.20 120.40 115.16 3kfb s VAL 489 Ca 0.05 -0.47 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 3kfb s VAL 489 Cb -0.27 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3kfb s VAL 489 CO 0.00 -0.26 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.75 3kfb s GLU 490 N -0.76 1.05 0.60 4.82 2.02 0.21 -4.48 118.70 122.17 3kfb s GLU 490 Ca -0.08 -1.15 -0.19 0.00 0.02 0.00 0.00 54.97 53.56 3kfb s GLU 490 Cb -0.05 -1.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.98 3kfb s GLU 490 CO -0.00 0.26 1.23 -2.14 0.02 0.00 0.00 175.26 174.63 3kfb s PRO 491 N -2.10 2.90 0.52 0.39 0.02 -1.26 0.14 135.00 135.61 3kfb s PRO 491 Ca 0.06 1.89 0.17 0.00 0.02 0.00 0.00 61.00 63.14 3kfb s PRO 491 Cb -0.09 -1.93 1.28 0.00 0.02 0.00 0.00 34.50 33.79 3kfb s PRO 491 CO 0.04 -1.28 2.13 1.25 -0.33 0.00 0.00 177.00 178.81 3kfb h LEU 492 N 0.85 0.01 -1.68 -5.54 5.85 -1.20 -2.57 115.31 111.03 3kfb h LEU 492 Ca -0.51 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3kfb h LEU 492 Cb 1.31 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3kfb h LEU 492 CO 0.55 0.00 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.46 3kfb h ARG 493 N 0.01 0.00 -0.52 1.25 2.43 -1.90 -2.02 114.38 113.63 3kfb h ARG 493 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3kfb h ARG 493 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3kfb h ARG 493 CO -0.00 0.10 -0.02 0.28 -1.51 0.00 0.00 179.97 178.83 3kfb h VAL 494 N 0.00 1.26 0.12 0.20 2.07 -1.79 -2.42 116.25 115.70 3kfb h VAL 494 Ca -0.00 -1.12 -0.24 0.00 0.82 0.00 0.00 66.70 66.15 3kfb h VAL 494 Cb 0.47 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3kfb h VAL 494 CO 0.01 0.40 -1.18 0.11 0.02 0.00 0.00 177.57 176.93 3kfb h LYS 495 N 0.80 0.26 -0.44 1.57 1.79 -1.61 -2.89 116.57 116.05 3kfb h LYS 495 Ca 0.15 -0.44 -0.10 0.00 -2.18 0.00 0.00 60.65 58.07 3kfb h LYS 495 Cb 0.55 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 3kfb h LYS 495 CO 0.03 1.21 -0.13 1.79 -1.08 0.00 0.00 179.45 181.28 3kfb h THR 496 N -0.35 1.26 -0.15 -0.16 1.35 -1.48 -1.59 112.91 111.79 3kfb h THR 496 Ca -0.24 -1.21 -0.05 0.00 -0.55 0.00 0.00 66.41 64.36 3kfb h THR 496 Cb 1.71 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3kfb h THR 496 CO 0.09 0.41 -0.09 -0.61 -0.25 0.00 0.00 175.52 175.07 3kfb h GLN 497 N 0.73 0.33 -0.89 4.72 5.75 -1.59 -2.21 115.11 121.95 3kfb h GLN 497 Ca 0.12 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 3kfb h GLN 497 Cb 0.62 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 3kfb h GLN 497 CO 0.04 0.67 0.58 0.00 -2.65 0.00 0.00 178.83 177.47 3kfb h ALA 498 N 0.66 1.51 0.07 3.38 0.00 -1.36 -0.88 119.26 122.64 3kfb h ALA 498 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3kfb h ALA 498 Cb 0.58 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kfb h ALA 498 CO 0.03 0.37 -1.08 0.82 0.00 0.00 0.00 179.25 179.38 3kfb h ILE 499 N 1.03 1.31 -0.18 0.00 2.04 -1.32 -2.45 117.51 117.94 3kfb h ILE 499 Ca 0.38 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.86 3kfb h ILE 499 Cb 0.16 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3kfb h ILE 499 CO -0.13 0.71 0.00 -0.61 0.00 0.00 0.00 178.15 178.12 3kfb h GLN 500 N 0.22 0.32 -0.09 2.37 5.75 -1.25 -0.42 115.11 122.00 3kfb h GLN 500 Ca -0.16 -0.10 -0.13 0.00 -0.15 0.00 0.00 58.65 58.12 3kfb h GLN 500 Cb 1.76 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.27 3kfb h GLN 500 CO 0.21 0.52 -0.52 0.66 -2.65 0.00 0.00 178.83 177.05 3kfb h SER 501 N 0.07 0.27 -0.21 -0.69 4.64 -1.27 -0.64 113.55 115.73 3kfb h SER 501 Ca 0.05 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 3kfb h SER 501 Cb 0.37 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3kfb h SER 501 CO 0.01 0.75 -0.29 0.00 -0.87 0.00 0.00 176.83 176.42 3kfb h ALA 502 N 1.26 0.86 -0.16 5.18 0.00 -1.39 -2.81 119.26 122.20 3kfb h ALA 502 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3kfb h ALA 502 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kfb h ALA 502 CO 0.08 0.63 -0.68 0.00 0.00 0.00 0.00 179.25 179.28 3kfb h ALA 503 N 1.07 0.49 0.01 0.00 0.00 -0.75 -2.78 119.26 117.31 3kfb h ALA 503 Ca 0.07 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 3kfb h ALA 503 Cb 0.80 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kfb h ALA 503 CO 0.07 0.71 -0.91 0.93 0.00 0.00 0.00 179.25 180.04 3kfb h GLU 504 N 0.47 0.25 0.09 0.00 5.08 -1.15 -2.13 114.58 117.18 3kfb h GLU 504 Ca -0.02 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 57.82 3kfb h GLU 504 Cb 1.28 0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.63 3kfb h GLU 504 CO 0.13 1.00 -0.99 0.66 -1.00 0.00 0.00 179.01 178.81 3kfb h SER 505 N 0.14 0.72 1.15 1.42 4.64 -1.59 -3.13 113.55 116.90 3kfb h SER 505 Ca -0.06 -0.83 -0.06 0.00 -0.47 0.00 0.00 61.79 60.38 3kfb h SER 505 Cb 1.54 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3kfb h SER 505 CO 0.14 1.47 -0.28 0.71 -0.87 0.00 0.00 176.83 178.00 3kfb h THR 506 N 0.07 0.60 0.00 2.95 1.35 -1.59 -1.93 112.91 114.36 3kfb h THR 506 Ca -0.15 -1.41 -0.05 0.00 -0.55 0.00 0.00 66.41 64.25 3kfb h THR 506 Cb 1.70 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 70.07 3kfb h THR 506 CO 0.19 0.28 -0.23 -0.33 -0.25 0.00 0.00 175.52 175.18 3kfb h GLU 507 N 0.00 0.00 0.13 4.72 5.08 -1.46 -2.57 114.58 120.48 3kfb h GLU 507 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3kfb h GLU 507 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 3kfb h GLU 507 CO 0.04 0.23 -1.04 1.98 -1.00 0.00 0.00 179.01 179.22 3kfb h MET 508 N 0.00 0.28 -0.72 2.33 4.05 -1.34 -3.22 114.93 116.31 3kfb h MET 508 Ca -0.00 -0.48 0.04 0.00 -0.28 0.00 0.00 59.70 58.98 3kfb h MET 508 Cb 0.42 0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.35 3kfb h MET 508 CO 0.03 1.23 0.44 -0.07 0.23 0.00 0.00 176.91 178.77 3kfb h LEU 509 N -0.35 0.72 -2.16 3.39 3.38 -1.42 -2.73 115.31 116.14 3kfb h LEU 509 Ca -0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kfb h LEU 509 Cb 1.69 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3kfb h LEU 509 CO 0.12 0.49 -0.05 -0.07 0.09 0.00 0.00 178.44 179.02 3kfb h LEU 510 N 0.85 0.00 -0.10 1.67 3.38 -1.56 -1.17 115.31 118.38 3kfb h LEU 510 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3kfb h LEU 510 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kfb h LEU 510 CO -0.13 0.05 0.00 0.54 0.09 0.00 0.00 178.44 178.99 3kfb n ARG 511 N -4.02 0.09 -2.79 1.13 1.74 -1.03 -4.82 116.66 106.95 3kfb n ARG 511 Ca -0.03 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 3kfb n ARG 511 Cb 0.13 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 3kfb n ARG 511 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kfb s ILE 512 N -3.07 4.68 0.00 0.55 1.01 -0.44 -4.92 121.20 119.00 3kfb s ILE 512 Ca 0.10 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.70 3kfb s ILE 512 Cb 0.14 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3kfb s ILE 512 CO 0.47 0.28 0.04 -0.90 0.00 0.00 0.00 174.94 174.82 3kfb n ASP 513 N 3.15 0.07 -3.80 3.58 5.75 -1.26 -4.50 116.55 119.54 3kfb n ASP 513 Ca 0.02 -0.35 -0.13 0.00 -0.01 0.00 0.00 54.79 54.32 3kfb n ASP 513 Cb 0.50 0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 40.85 3kfb n ASP 513 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kfb s ASP 514 N -0.39 -0.20 -0.01 -1.12 -1.08 -1.26 -0.76 116.67 111.85 3kfb s ASP 514 Ca 0.00 0.40 0.05 0.00 -0.52 0.00 0.00 52.55 52.48 3kfb s ASP 514 Cb 0.00 0.39 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 3kfb s ASP 514 CO 0.00 -0.08 -0.16 -0.69 0.52 0.00 0.00 175.17 174.76 3kfb s VAL 515 N 0.23 1.25 -0.32 1.11 1.01 -1.19 -5.02 120.40 117.48 3kfb s VAL 515 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3kfb s VAL 515 Cb -0.02 -1.04 0.10 0.00 0.00 0.00 0.00 36.38 35.41 3kfb s VAL 515 CO -0.01 0.35 0.08 -0.63 0.00 0.00 0.00 175.10 174.89 3kfb s ILE 516 N -0.38 1.32 -0.20 2.22 1.01 -1.26 -3.20 121.20 120.70 3kfb s ILE 516 Ca 0.06 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 58.98 3kfb s ILE 516 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3kfb s ILE 516 CO -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 174.94 174.31 3kfb s ALA 517 N 1.40 3.09 0.57 9.38 0.00 -0.64 -5.02 121.76 130.54 3kfb s ALA 517 Ca 0.10 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.15 3kfb s ALA 517 Cb -0.18 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.20 3kfb s ALA 517 CO -0.19 -0.13 0.78 0.00 0.00 0.00 0.00 175.76 176.22 3kfb s ALA 518 N 0.96 4.32 0.00 0.00 0.00 -1.26 -2.71 121.76 123.06 3kfb s ALA 518 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3kfb s ALA 518 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3kfb s ALA 518 CO 0.02 -0.85 0.00 -1.91 0.00 0.00 0.00 175.76 173.02