#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 -3.91 -3.83 2.81 -1.26 -5.02 117.12 105.91 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 -0.38 -0.17 0.00 -0.71 0.00 0.00 33.22 31.96 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 1.21 -0.06 0.03 1.02 -1.10 -5.06 119.74 113.79 3kfb s LYS 13 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3kfb s LYS 13 Cb 0.00 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 3kfb s LYS 13 CO 0.00 -0.26 -0.03 0.50 -0.92 0.00 0.00 175.35 174.64 3kfb s ARG 14 N 1.70 0.79 -0.20 1.68 3.52 -1.26 -1.42 118.95 123.76 3kfb s ARG 14 Ca 0.03 -0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.51 3kfb s ARG 14 Cb -0.13 -0.91 -0.04 0.00 -1.56 0.00 0.00 34.95 32.32 3kfb s ARG 14 CO -0.06 -0.16 0.07 0.71 -0.81 0.00 0.00 175.30 175.05 3kfb s TYR 15 N 1.27 3.20 -0.23 5.12 2.02 -1.18 -4.99 117.35 122.56 3kfb s TYR 15 Ca -0.05 -0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 3kfb s TYR 15 Cb -0.14 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 3kfb s TYR 15 CO -0.02 0.02 0.17 -1.64 -1.57 0.00 0.00 175.55 172.51 3kfb s MET 16 N 0.72 4.11 3.19 -0.62 -1.94 -1.26 -3.10 119.30 120.39 3kfb s MET 16 Ca 0.03 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3kfb s MET 16 Cb -0.13 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.20 3kfb s MET 16 CO 0.02 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 3kfb n GLY 17 N 4.07 0.89 0.24 -0.03 0.00 0.04 -1.61 105.19 108.79 3kfb n GLY 17 Ca -0.15 0.61 0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.03 1.61 3.08 -1.94 -1.04 114.38 116.06 3kfb h ARG 18 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 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 0.18 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.20 3kfb h ASP 19 N 0.00 0.43 -0.58 7.04 3.32 -1.65 -2.53 116.42 122.46 3kfb h ASP 19 Ca -0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 57.03 56.23 3kfb h ASP 19 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kfb h ASP 19 CO 0.02 1.10 0.01 0.00 -1.72 0.00 0.00 179.24 178.65 3kfb h ALA 20 N 0.34 0.89 -0.56 3.45 0.00 -1.59 0.16 119.26 121.96 3kfb h ALA 20 Ca -0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3kfb h ALA 20 Cb 1.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3kfb h ALA 20 CO 0.09 0.66 -0.04 1.96 0.00 0.00 0.00 179.25 181.92 3kfb h GLN 21 N 0.95 1.02 0.00 0.00 4.20 -1.29 -2.64 115.11 117.35 3kfb h GLN 21 Ca 0.17 -0.34 -0.14 0.00 0.06 0.00 0.00 58.65 58.40 3kfb h GLN 21 Cb 0.53 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3kfb h GLN 21 CO 0.03 1.03 -0.67 -0.09 -0.67 0.00 0.00 178.83 178.45 3kfb h ARG 22 N 0.90 0.00 -0.19 1.46 2.43 -1.33 -2.31 114.38 115.34 3kfb h ARG 22 Ca 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kfb h ARG 22 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3kfb h ARG 22 CO 0.04 0.67 0.10 1.98 -1.51 0.00 0.00 179.97 181.25 3kfb h MET 23 N 0.00 0.26 0.20 0.20 4.05 -0.54 -2.32 114.93 116.78 3kfb h MET 23 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3kfb h MET 23 Cb 1.22 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 3kfb h MET 23 CO 0.09 0.26 -0.09 -0.91 0.23 0.00 0.00 176.91 176.48 3kfb h ASN 24 N 0.20 -0.22 -0.97 1.39 2.35 -1.50 -2.37 115.58 114.45 3kfb h ASN 24 Ca 0.07 -0.31 0.21 0.00 -0.55 0.00 0.00 56.30 55.72 3kfb h ASN 24 Cb 0.07 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.42 3kfb h ASN 24 CO -0.01 0.28 0.62 0.40 -1.65 0.00 0.00 177.43 177.07 3kfb h ILE 25 N -0.83 0.66 -0.14 2.81 2.04 -1.48 0.13 117.51 120.69 3kfb h ILE 25 Ca -0.03 -0.18 -0.17 0.00 1.00 0.00 0.00 64.86 65.49 3kfb h ILE 25 Cb 0.52 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3kfb h ILE 25 CO 0.04 0.10 -0.57 0.25 0.00 0.00 0.00 178.15 177.97 3kfb h LEU 26 N 0.52 0.75 -1.45 1.44 6.46 -1.47 -1.18 115.31 120.38 3kfb h LEU 26 Ca 0.53 -0.62 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 3kfb h LEU 26 Cb 1.16 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 3kfb h LEU 26 CO -0.26 1.24 0.04 0.00 -0.62 0.00 0.00 178.44 178.84 3kfb h ALA 27 N 0.53 1.56 0.13 1.25 0.00 -0.29 -0.79 119.26 121.65 3kfb h ALA 27 Ca -0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 3kfb h ALA 27 Cb 1.20 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.89 3kfb h ALA 27 CO 0.12 0.33 -1.26 0.78 0.00 0.00 0.00 179.25 179.22 3kfb h GLY 28 N 0.66 0.64 2.00 0.00 0.00 -0.96 -3.16 103.07 102.26 3kfb h GLY 28 Ca 0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 47.33 45.98 3kfb h GLY 28 CO -0.00 1.22 -0.26 3.21 0.00 0.00 0.00 176.54 180.71 3kfb h ARG 29 N 0.24 0.00 0.06 4.80 3.08 -0.89 -2.40 114.38 119.27 3kfb h ARG 29 Ca -0.19 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.61 3kfb h ARG 29 Cb 1.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.97 3kfb h ARG 29 CO 0.24 0.26 -1.20 0.97 -1.07 0.00 0.00 179.97 179.16 3kfb h ILE 30 N 0.00 1.51 0.00 2.04 2.10 -1.20 -2.20 117.51 119.76 3kfb h ILE 30 Ca -0.00 -3.18 0.00 0.00 1.08 0.00 0.00 64.86 62.76 3kfb h ILE 30 Cb 0.46 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 3kfb h ILE 30 CO 0.03 0.89 -0.43 0.16 -1.08 0.00 0.00 178.15 177.73 3kfb h ILE 31 N 0.03 0.00 0.00 2.19 3.07 -1.55 -3.12 117.51 118.13 3kfb h ILE 31 Ca -0.10 -0.63 -0.09 0.00 1.55 0.00 0.00 64.86 65.58 3kfb h ILE 31 Cb 1.89 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 39.79 3kfb h ILE 31 CO 0.15 0.00 -0.45 0.00 -1.05 0.00 0.00 178.15 176.81 3kfb h ALA 32 N 2.37 0.83 0.00 0.16 0.00 -1.38 -3.13 119.26 118.11 3kfb h ALA 32 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kfb h ALA 32 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kfb h ALA 32 CO 0.00 0.56 -0.29 0.39 0.00 0.00 0.00 179.25 179.91 3kfb n GLU 33 N -3.38 0.14 0.12 0.00 1.02 -0.83 -2.99 120.64 114.72 3kfb n GLU 33 Ca 0.01 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 3kfb n GLU 33 Cb 0.62 -1.62 0.10 0.00 -0.02 0.00 0.00 31.44 30.52 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 1.50 -0.01 2.62 2.02 -1.49 -3.22 112.91 114.33 3kfb h THR 34 Ca 0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 3kfb h THR 34 Cb 0.62 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3kfb h THR 34 CO 0.00 0.68 -0.54 1.33 0.37 0.00 0.00 175.52 177.36 3kfb n VAL 35 N -3.71 0.00 -0.17 3.16 0.24 -1.23 -4.64 118.33 111.98 3kfb n VAL 35 Ca -0.01 -0.23 0.15 0.00 -2.04 0.00 0.00 64.34 62.21 3kfb n VAL 35 Cb 0.69 1.17 0.49 0.00 -1.47 0.00 0.00 33.84 34.72 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 1.63 0.43 -0.00 7.34 3.08 -1.55 -1.74 114.38 123.58 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 0.62 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kfb h ARG 36 CO 0.00 0.29 -0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 3kfb n SER 37 N -4.48 0.06 0.03 7.04 3.41 -1.26 -3.20 113.62 115.20 3kfb n SER 37 Ca 0.14 -0.83 0.11 0.00 -0.26 0.00 0.00 58.87 58.04 3kfb n SER 37 Cb 0.51 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.02 0.16 -2.50 6.66 -2.24 -0.65 -0.20 114.28 114.49 3kfb n THR 38 Ca 0.22 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3kfb n THR 38 Cb 0.15 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 -3.87 4.21 0.00 3.22 0.20 -1.20 -4.41 118.68 116.83 3kfb s LEU 39 Ca 0.04 1.67 0.00 0.00 0.69 0.00 0.00 54.13 56.54 3kfb s LEU 39 Cb 0.14 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 3kfb s LEU 39 CO 0.80 -0.64 0.00 0.61 -0.29 0.00 0.00 176.35 176.83 3kfb n GLY 40 N 3.41 1.51 0.19 7.98 0.00 -1.26 -4.13 105.19 112.89 3kfb n GLY 40 Ca 0.12 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.57 1.61 0.11 -1.87 -3.08 132.00 128.20 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 0.39 0.00 1.63 -0.21 0.00 0.00 178.00 179.81 3kfb n LYS 42 N -3.79 4.65 -2.12 1.05 4.76 -1.26 -4.25 118.16 117.19 3kfb n LYS 42 Ca -0.01 -3.12 -0.28 0.00 -2.87 0.00 0.00 58.31 52.03 3kfb n LYS 42 Cb 0.46 -2.20 0.04 0.00 -1.84 0.00 0.00 35.03 31.50 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 -0.88 1.62 0.20 0.72 0.00 -1.16 -4.43 107.32 103.39 3kfb s GLY 43 Ca 0.54 -0.54 0.09 0.00 0.00 0.00 0.00 44.72 44.81 3kfb s GLY 43 CO 0.17 -0.20 -0.07 1.06 0.00 0.00 0.00 173.10 174.05 3kfb s MET 44 N -5.20 2.12 0.53 2.90 -1.94 0.72 -4.93 119.30 113.50 3kfb s MET 44 Ca 0.56 -1.32 -0.04 0.00 -1.71 0.00 0.00 55.69 53.19 3kfb s MET 44 Cb -0.11 -2.15 -0.00 0.00 2.01 0.00 0.00 34.83 34.58 3kfb s MET 44 CO 0.48 0.42 0.81 -0.51 -0.01 0.00 0.00 175.02 176.21 3kfb s ASP 45 N -3.06 5.77 0.08 3.03 1.01 -1.26 -3.98 116.67 118.26 3kfb s ASP 45 Ca 0.27 0.61 0.08 0.00 0.71 0.00 0.00 52.55 54.22 3kfb s ASP 45 Cb -0.08 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 3kfb s ASP 45 CO 0.16 -0.88 -0.18 -0.54 0.21 0.00 0.00 175.17 173.95 3kfb s LYS 46 N -4.82 1.92 -0.26 8.23 -0.14 -0.74 -4.97 119.74 118.97 3kfb s LYS 46 Ca 0.51 -1.09 -0.06 0.00 -1.36 0.00 0.00 55.97 53.97 3kfb s LYS 46 Cb -0.10 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.89 3kfb s LYS 46 CO 0.43 0.51 0.05 1.41 -0.76 0.00 0.00 175.35 176.99 3kfb s MET 47 N -1.83 3.35 -0.21 1.68 -2.45 -1.26 -2.21 119.30 116.37 3kfb s MET 47 Ca 0.17 -0.68 -0.05 0.00 -1.25 0.00 0.00 55.69 53.88 3kfb s MET 47 Cb -0.11 -3.28 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 3kfb s MET 47 CO 0.08 -0.30 -0.00 -0.51 1.05 0.00 0.00 175.02 175.33 3kfb s LEU 48 N 1.54 3.19 -0.00 4.11 1.02 -0.85 -4.99 118.68 122.70 3kfb s LEU 48 Ca 0.05 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.01 3kfb s LEU 48 Cb -0.16 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 3kfb s LEU 48 CO 0.02 0.04 -0.17 -0.69 0.02 0.00 0.00 176.35 175.56 3kfb s VAL 49 N 1.17 2.86 0.00 -1.59 1.01 -1.26 -1.26 120.40 121.33 3kfb s VAL 49 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3kfb s VAL 49 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3kfb s VAL 49 CO 0.01 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.68 3kfb n ASP 50 N 1.94 0.91 0.18 3.32 5.75 -1.16 -5.01 116.55 122.47 3kfb n ASP 50 Ca -0.16 -0.09 0.06 0.00 -0.01 0.00 0.00 54.79 54.59 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 0.55 -1.12 3.04 -2.01 -3.20 116.42 113.69 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 0.36 -0.48 0.18 -2.04 0.00 0.00 179.24 177.26 3kfb n LEU 52 N -3.32 0.48 0.00 0.15 4.77 -1.26 -4.93 117.00 112.89 3kfb n LEU 52 Ca 0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3kfb n LEU 52 Cb 0.59 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3kfb n LEU 52 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3kfb n GLY 53 N 1.49 0.61 3.66 -0.72 0.00 -1.21 -5.04 105.19 103.98 3kfb n GLY 53 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.98 6.81 -0.11 1.61 1.01 -1.26 -4.85 116.67 116.91 3kfb s ASP 54 Ca 0.00 1.96 -0.04 0.00 0.71 0.00 0.00 52.55 55.17 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 -0.84 0.05 0.54 0.21 0.00 0.00 175.17 175.13 3kfb s VAL 55 N 3.74 4.76 -0.07 -1.27 0.11 -1.26 -2.99 120.40 123.41 3kfb s VAL 55 Ca 0.64 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 3kfb s VAL 55 Cb -0.27 -3.04 0.03 0.00 -1.53 0.00 0.00 36.38 31.56 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 0.53 -0.27 2.04 0.11 -0.39 -5.01 120.40 116.65 3kfb s VAL 56 Ca 0.12 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 3kfb s VAL 56 Cb -0.12 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3kfb s VAL 56 CO 0.03 0.27 0.15 -0.69 -3.33 0.00 0.00 175.10 171.53 3kfb s VAL 57 N 1.68 4.96 0.06 2.04 1.01 -1.26 -2.00 120.40 126.89 3kfb s VAL 57 Ca 0.01 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3kfb s VAL 57 Cb -0.13 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3kfb s VAL 57 CO -0.04 0.27 0.27 0.28 0.00 0.00 0.00 175.10 175.87 3kfb s THR 58 N 1.71 0.10 -1.05 3.92 -1.32 -0.94 -4.79 115.64 113.27 3kfb s THR 58 Ca 0.07 -0.82 0.15 0.00 -1.21 0.00 0.00 61.69 59.88 3kfb s THR 58 Cb -0.16 -1.05 -0.09 0.00 -1.51 0.00 0.00 72.50 69.70 3kfb s THR 58 CO 0.08 -0.45 0.73 -3.20 -2.21 0.00 0.00 174.62 169.57 3kfb n ASN 59 N 0.37 1.12 -4.66 8.08 2.85 -1.26 -1.78 115.26 119.98 3kfb n ASN 59 Ca -0.18 -1.06 -0.42 0.00 -0.11 0.00 0.00 54.58 52.81 3kfb n ASN 59 Cb 0.60 0.75 -0.03 0.00 1.24 0.00 0.00 39.78 42.35 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 -2.16 6.72 0.04 1.20 2.15 -1.26 -4.92 116.67 118.45 3kfb s ASP 60 Ca 0.09 2.13 -0.33 0.00 0.43 0.00 0.00 52.55 54.87 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 -0.89 1.40 1.23 -0.17 0.00 0.00 175.17 177.26 3kfb h GLY 61 N 10.06 -1.26 0.30 2.66 0.00 -1.93 -2.91 103.07 109.99 3kfb h GLY 61 Ca -0.37 0.47 0.13 0.00 0.00 0.00 0.00 47.33 47.56 3kfb h GLY 61 CO 0.96 -0.46 0.40 -0.24 0.00 0.00 0.00 176.54 177.20 3kfb h VAL 62 N -1.30 0.76 0.00 4.60 3.04 -1.87 -0.70 116.25 120.78 3kfb h VAL 62 Ca -0.12 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 3kfb h VAL 62 Cb 0.92 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.30 3kfb h VAL 62 CO 0.20 0.11 -0.09 0.71 -1.01 0.00 0.00 177.57 177.49 3kfb h THR 63 N 0.61 0.39 0.10 3.17 1.35 -1.96 0.23 112.91 116.80 3kfb h THR 63 Ca 0.42 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 3kfb h THR 63 Cb 0.56 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3kfb h THR 63 CO -0.34 0.09 -0.05 0.40 -0.25 0.00 0.00 175.52 175.37 3kfb h ILE 64 N 0.00 1.07 -0.75 6.82 2.04 -0.94 -2.80 117.51 122.95 3kfb h ILE 64 Ca -0.00 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 3kfb h ILE 64 Cb 0.34 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3kfb h ILE 64 CO 0.01 0.28 0.32 -0.07 0.00 0.00 0.00 178.15 178.70 3kfb h LEU 65 N -0.80 0.99 -0.19 1.44 3.38 -1.08 -2.99 115.31 116.06 3kfb h LEU 65 Ca -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3kfb h LEU 65 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kfb h LEU 65 CO 0.02 0.86 -0.00 0.03 0.09 0.00 0.00 178.44 179.45 3kfb h ARG 66 N 1.07 0.35 -1.38 1.13 3.08 -0.66 -3.29 114.38 114.68 3kfb h ARG 66 Ca 0.25 -0.11 -0.71 0.00 0.07 0.00 0.00 59.98 59.48 3kfb h ARG 66 Cb 0.16 -0.03 -0.29 0.00 0.08 0.00 0.00 29.97 29.89 3kfb h ARG 66 CO -0.03 0.55 0.87 0.39 -1.07 0.00 0.00 179.97 180.68 3kfb n GLU 67 N -4.70 2.76 -4.03 0.04 1.02 -1.06 -4.84 120.64 109.83 3kfb n GLU 67 Ca -0.04 -3.43 -0.13 0.00 -0.02 0.00 0.00 57.16 53.53 3kfb n GLU 67 Cb 0.23 -2.28 -0.13 0.00 -0.02 0.00 0.00 31.44 29.24 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 0.30 -0.87 3.49 0.23 -1.13 -4.94 119.30 112.46 3kfb s MET 68 Ca 0.59 -0.29 -0.25 0.00 -1.03 0.00 0.00 55.69 54.72 3kfb s MET 68 Cb 0.48 -0.20 -0.01 0.00 -1.53 0.00 0.00 34.83 33.56 3kfb s MET 68 CO -0.17 0.05 1.76 -1.12 -2.03 0.00 0.00 175.02 173.51 3kfb s SER 69 N -0.52 5.57 -0.20 -1.18 0.01 -1.26 -4.94 113.70 111.17 3kfb s SER 69 Ca -0.03 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 56.45 3kfb s SER 69 Cb -0.04 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3kfb s SER 69 CO -0.00 -2.32 0.10 -0.69 0.41 0.00 0.00 173.24 170.74 3kfb s VAL 70 N 8.35 5.00 -0.01 3.43 1.01 -1.26 -4.99 120.40 131.93 3kfb s VAL 70 Ca 0.61 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.68 3kfb s VAL 70 Cb -0.06 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3kfb s VAL 70 CO 0.01 0.42 0.08 -0.62 0.00 0.00 0.00 175.10 175.00 3kfb n GLU 71 N 3.81 0.60 -2.16 2.72 -0.58 -1.26 -4.88 120.64 118.90 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 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 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 -2.26 2.22 0.38 -0.32 2.46 -1.26 -4.91 115.29 111.60 3kfb s HIS 72 Ca -0.02 0.57 0.16 0.00 0.47 0.00 0.00 55.06 56.25 3kfb s HIS 72 Cb 0.02 -3.91 1.05 0.00 -0.13 0.00 0.00 32.58 29.62 3kfb s HIS 72 CO 0.17 -2.84 1.76 -1.00 -2.47 0.00 0.00 174.74 170.37 3kfb h PRO 73 N 10.14 0.43 -0.36 2.88 0.13 -1.99 0.18 132.00 143.41 3kfb h PRO 73 Ca -0.33 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 3kfb h PRO 73 Cb 1.15 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3kfb h PRO 73 CO 0.99 0.28 -0.34 0.00 -0.23 0.00 0.00 178.00 178.71 3kfb h ALA 74 N 1.64 0.73 -0.30 -0.56 0.00 -1.91 -2.94 119.26 115.91 3kfb h ALA 74 Ca 0.60 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kfb h ALA 74 Cb 1.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3kfb h ALA 74 CO -0.33 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.61 3kfb h ALA 75 N 0.94 0.40 -0.89 0.00 0.00 -1.21 -3.00 119.26 115.49 3kfb h ALA 75 Ca 0.07 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.99 3kfb h ALA 75 Cb 0.89 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3kfb h ALA 75 CO 0.08 0.12 0.61 0.87 0.00 0.00 0.00 179.25 180.92 3kfb h LYS 76 N 0.32 0.24 0.00 0.00 1.57 -1.20 -1.53 116.57 115.98 3kfb h LYS 76 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kfb h LYS 76 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kfb h LYS 76 CO 0.01 0.16 -0.30 0.52 -0.57 0.00 0.00 179.45 179.27 3kfb h MET 77 N 0.25 0.00 0.00 3.15 2.86 -1.38 -3.09 114.93 116.72 3kfb h MET 77 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 3kfb h MET 77 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 3kfb h MET 77 CO -0.12 0.00 -1.14 -0.11 1.06 0.00 0.00 176.91 176.60 3kfb n LEU 78 N -2.57 0.63 0.15 1.22 7.94 -0.64 -3.63 117.00 120.09 3kfb n LEU 78 Ca 0.04 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 3kfb n LEU 78 Cb 0.48 -0.07 0.28 0.00 0.53 0.00 0.00 43.42 44.64 3kfb n LEU 78 CO 0.34 -0.08 0.65 0.40 -1.11 0.00 0.00 177.39 177.59 3kfb h ILE 79 N 0.00 1.32 -0.17 1.96 2.04 -1.30 -2.77 117.51 118.58 3kfb h ILE 79 Ca 0.00 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.39 3kfb h ILE 79 Cb 0.91 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 3kfb h ILE 79 CO 0.00 0.44 0.18 -0.33 0.00 0.00 0.00 178.15 178.44 3kfb h GLU 80 N 0.06 0.00 -0.25 2.37 4.39 -1.62 0.96 114.58 120.50 3kfb h GLU 80 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 3kfb h GLU 80 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3kfb h GLU 80 CO 0.06 0.00 -0.54 0.28 -1.16 0.00 0.00 179.01 177.65 3kfb h VAL 81 N 0.00 1.29 0.15 3.13 2.07 -1.68 -0.94 116.25 120.27 3kfb h VAL 81 Ca 0.08 -1.75 -0.30 0.00 0.82 0.00 0.00 66.70 65.56 3kfb h VAL 81 Cb 0.44 1.68 0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3kfb h VAL 81 CO -0.00 0.56 -1.28 0.00 0.02 0.00 0.00 177.57 176.87 3kfb h ALA 82 N 0.82 0.01 -0.49 1.67 0.00 -1.40 -2.97 119.26 116.90 3kfb h ALA 82 Ca 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3kfb h ALA 82 Cb 1.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kfb h ALA 82 CO 0.11 0.77 0.17 -0.22 0.00 0.00 0.00 179.25 180.08 3kfb h LYS 83 N 0.19 0.71 -0.38 0.00 3.64 -0.81 -2.35 116.57 117.57 3kfb h LYS 83 Ca -0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3kfb h LYS 83 Cb 1.97 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 3kfb h LYS 83 CO 0.23 0.61 0.00 0.25 -2.27 0.00 0.00 179.45 178.27 3kfb n THR 84 N -4.33 0.50 -0.01 1.00 -2.24 -0.36 -3.42 114.28 105.41 3kfb n THR 84 Ca 0.04 -0.61 -0.19 0.00 -2.27 0.00 0.00 64.05 61.01 3kfb n THR 84 Cb 0.17 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.97 0.74 0.09 -0.78 -0.06 -0.91 -3.18 117.38 114.25 3kfb n GLN 85 Ca 0.18 0.26 -0.02 0.00 -2.00 0.00 0.00 57.00 55.42 3kfb n GLN 85 Cb 0.46 -1.71 0.23 0.00 -4.06 0.00 0.00 30.24 25.16 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 0.06 0.25 -0.43 3.69 4.11 -1.61 0.78 114.58 121.42 3kfb h GLU 86 Ca -0.41 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 58.81 3kfb h GLU 86 Cb 2.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 3kfb h GLU 86 CO 0.08 0.61 -0.13 -0.22 0.07 0.00 0.00 179.01 179.42 3kfb h LYS 87 N 0.21 0.77 0.00 1.06 1.63 -1.67 -2.87 116.57 115.71 3kfb h LYS 87 Ca 0.02 -0.26 -0.16 0.00 -0.85 0.00 0.00 60.65 59.40 3kfb h LYS 87 Cb 0.79 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 3kfb h LYS 87 CO 0.06 0.86 -1.98 0.39 -3.45 0.00 0.00 179.45 175.34 3kfb n GLU 88 N -4.16 0.94 0.02 1.90 -0.58 -1.18 -4.85 120.64 112.73 3kfb n GLU 88 Ca 0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3kfb n GLU 88 Cb 0.37 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.37 0.41 0.00 2.62 0.31 0.20 -5.05 118.33 114.45 3kfb n VAL 89 Ca -0.15 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3kfb n VAL 89 Cb 0.76 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 3.03 2.21 3.25 2.92 0.00 -0.80 -4.13 105.19 111.66 3kfb n GLY 90 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.17 1.84 0.00 1.61 2.15 -1.26 -4.47 116.67 116.37 3kfb s ASP 91 Ca 0.00 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.02 3kfb s ASP 91 Cb 0.00 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 3kfb s ASP 91 CO 0.00 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 3kfb n GLY 92 N 0.00 0.82 0.21 2.66 0.00 -1.26 -4.85 105.19 102.77 3kfb n GLY 92 Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 1.32 -0.14 2.61 1.35 -1.89 -2.82 112.91 113.33 3kfb h THR 93 Ca 0.00 -1.86 -0.11 0.00 -0.55 0.00 0.00 66.41 63.88 3kfb h THR 93 Cb 0.00 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3kfb h THR 93 CO 0.00 0.58 -0.36 0.74 -0.25 0.00 0.00 175.52 176.23 3kfb h THR 94 N 0.46 1.37 -0.62 6.82 2.02 -1.94 -3.21 112.91 117.81 3kfb h THR 94 Ca -0.00 -1.65 0.05 0.00 0.77 0.00 0.00 66.41 65.58 3kfb h THR 94 Cb 1.18 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.62 3kfb h THR 94 CO 0.12 0.49 0.41 0.71 0.37 0.00 0.00 175.52 177.62 3kfb h THR 95 N 0.09 1.02 -0.30 3.16 1.35 -1.97 -1.56 112.91 114.70 3kfb h THR 95 Ca -0.01 -0.22 -0.12 0.00 -0.55 0.00 0.00 66.41 65.51 3kfb h THR 95 Cb 0.97 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 3kfb h THR 95 CO 0.08 0.12 -0.31 0.00 -0.25 0.00 0.00 175.52 175.16 3kfb h ALA 96 N 1.66 0.90 0.09 6.62 0.00 -1.54 -1.94 119.26 125.05 3kfb h ALA 96 Ca 0.26 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 3kfb h ALA 96 Cb 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kfb h ALA 96 CO -0.08 0.62 -0.94 0.28 0.00 0.00 0.00 179.25 179.13 3kfb h VAL 97 N 0.54 1.38 -0.18 0.00 2.07 -1.48 -2.71 116.25 115.87 3kfb h VAL 97 Ca 0.06 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 65.18 3kfb h VAL 97 Cb 0.80 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3kfb h VAL 97 CO 0.07 0.70 -0.10 0.58 0.02 0.00 0.00 177.57 178.83 3kfb h VAL 98 N 0.00 1.18 -0.07 2.57 2.07 -1.30 0.65 116.25 121.35 3kfb h VAL 98 Ca -0.14 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3kfb h VAL 98 Cb 1.67 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3kfb h VAL 98 CO 0.18 0.24 -0.16 0.58 0.02 0.00 0.00 177.57 178.43 3kfb h VAL 99 N 0.27 1.41 -0.92 2.57 2.07 -1.42 -2.51 116.25 117.71 3kfb h VAL 99 Ca 0.06 -1.48 0.16 0.00 0.82 0.00 0.00 66.70 66.26 3kfb h VAL 99 Cb 0.36 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.25 3kfb h VAL 99 CO 0.02 0.42 0.59 0.00 0.02 0.00 0.00 177.57 178.62 3kfb h ALA 100 N 0.48 1.82 -0.22 1.67 0.00 -1.22 -0.56 119.26 121.23 3kfb h ALA 100 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kfb h ALA 100 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kfb h ALA 100 CO 0.04 -0.09 -0.02 0.78 0.00 0.00 0.00 179.25 179.95 3kfb h GLY 101 N 0.70 0.45 2.00 0.00 0.00 -0.83 -2.82 103.07 102.57 3kfb h GLY 101 Ca 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3kfb h GLY 101 CO -0.24 0.32 0.00 -2.09 0.00 0.00 0.00 176.54 174.53 3kfb h GLU 102 N 0.16 0.00 -0.02 4.80 4.57 -0.98 -1.50 114.58 121.61 3kfb h GLU 102 Ca 0.06 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.09 3kfb h GLU 102 Cb 0.45 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3kfb h GLU 102 CO 0.02 0.00 -0.70 -0.07 -1.18 0.00 0.00 179.01 177.08 3kfb h LEU 103 N 0.00 0.11 -0.04 1.64 3.38 -1.07 -2.37 115.31 116.97 3kfb h LEU 103 Ca 0.00 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 3kfb h LEU 103 Cb 0.60 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3kfb h LEU 103 CO 0.00 0.77 -0.73 -0.07 0.09 0.00 0.00 178.44 178.50 3kfb h LEU 104 N 0.06 0.70 -0.27 1.67 3.38 -1.12 -2.48 115.31 117.25 3kfb h LEU 104 Ca -0.01 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3kfb h LEU 104 Cb 1.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3kfb h LEU 104 CO 0.10 1.32 0.18 -0.09 0.09 0.00 0.00 178.44 180.04 3kfb h ARG 105 N 0.15 0.36 0.00 1.13 2.43 -1.36 -2.41 114.38 114.68 3kfb h ARG 105 Ca -0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3kfb h ARG 105 Cb 1.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3kfb h ARG 105 CO 0.15 0.24 0.00 1.63 -1.51 0.00 0.00 179.97 180.47 3kfb n LYS 106 N -4.90 0.14 0.03 0.20 4.76 -0.89 -2.83 118.16 114.67 3kfb n LYS 106 Ca -0.02 0.36 -0.14 0.00 -2.87 0.00 0.00 58.31 55.64 3kfb n LYS 106 Cb 0.03 -1.75 -0.14 0.00 -1.84 0.00 0.00 35.03 31.32 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 2.36 0.45 0.00 7.82 0.00 -0.95 -3.33 119.26 125.60 3kfb h ALA 107 Ca 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 54.91 53.67 3kfb h ALA 107 Cb 0.34 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kfb h ALA 107 CO 0.00 1.30 -0.02 1.05 0.00 0.00 0.00 179.25 181.59 3kfb h GLU 108 N 0.04 0.00 0.00 0.00 4.11 -1.33 -1.83 114.58 115.58 3kfb h GLU 108 Ca -0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.14 3kfb h GLU 108 Cb 2.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 3kfb h GLU 108 CO 0.12 0.02 -0.14 0.93 0.07 0.00 0.00 179.01 180.01 3kfb h GLU 109 N 0.00 0.00 0.05 1.06 5.08 -1.66 -0.96 114.58 118.15 3kfb h GLU 109 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 3kfb h GLU 109 Cb 0.92 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3kfb h GLU 109 CO 0.00 0.14 -1.78 -0.07 -1.00 0.00 0.00 179.01 176.31 3kfb h LEU 110 N 0.00 0.16 -0.74 1.33 3.38 -1.58 -3.27 115.31 114.59 3kfb h LEU 110 Ca -0.00 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 3kfb h LEU 110 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3kfb h LEU 110 CO 0.02 1.31 -0.47 -0.07 0.09 0.00 0.00 178.44 179.32 3kfb h LEU 111 N 0.03 0.00 0.00 1.67 3.38 -1.16 -0.83 115.31 118.40 3kfb h LEU 111 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kfb h LEU 111 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3kfb h LEU 111 CO 0.09 0.47 -0.20 0.47 0.09 0.00 0.00 178.44 179.36 3kfb n ASP 112 N -3.53 0.43 -1.48 -0.43 9.92 -0.38 -2.75 116.55 118.34 3kfb n ASP 112 Ca -0.00 0.32 0.08 0.00 -0.53 0.00 0.00 54.79 54.66 3kfb n ASP 112 Cb 0.58 -0.33 0.33 0.00 -0.64 0.00 0.00 41.12 41.05 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 -1.81 3.48 -1.10 -1.24 6.02 -1.01 -4.95 117.38 116.76 3kfb n GLN 113 Ca 0.06 -2.59 -0.03 0.00 -0.01 0.00 0.00 57.00 54.42 3kfb n GLN 113 Cb 0.38 -1.84 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 1.02 -3.92 -4.64 1.08 3.02 -1.11 -4.99 115.26 105.71 3kfb n ASN 114 Ca 0.23 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.44 3kfb n ASN 114 Cb 0.82 -1.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 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 -1.96 3.91 0.22 2.41 1.01 -0.35 -4.96 120.40 120.69 3kfb s VAL 115 Ca 0.00 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.72 3kfb s VAL 115 Cb 0.00 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 3kfb s VAL 115 CO 0.00 -0.30 1.19 1.57 0.00 0.00 0.00 175.10 177.55 3kfb n HIS 116 N 7.79 1.52 0.06 5.22 -0.00 -1.26 -4.37 115.22 124.19 3kfb n HIS 116 Ca 0.17 0.62 0.18 0.00 0.46 0.00 0.00 57.72 59.15 3kfb n HIS 116 Cb 0.45 -2.32 0.71 0.00 -0.12 0.00 0.00 29.99 28.71 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 3.21 0.00 -0.00 1.57 0.11 -1.93 -1.49 132.00 133.48 3kfb h PRO 117 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 3kfb h PRO 117 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3kfb h PRO 117 CO 0.69 0.00 -0.57 1.79 -0.21 0.00 0.00 178.00 179.70 3kfb h THR 118 N 0.00 1.41 0.01 -1.15 1.35 -1.90 -1.81 112.91 110.82 3kfb h THR 118 Ca 0.20 -1.96 -0.19 0.00 -0.55 0.00 0.00 66.41 63.90 3kfb h THR 118 Cb 0.83 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 3kfb h THR 118 CO -0.00 0.56 -0.89 0.40 -0.25 0.00 0.00 175.52 175.34 3kfb h ILE 119 N 0.00 1.54 0.08 6.82 1.08 -1.64 -2.36 117.51 123.04 3kfb h ILE 119 Ca -0.01 -2.76 -0.00 0.00 -0.39 0.00 0.00 64.86 61.70 3kfb h ILE 119 Cb 1.01 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 3kfb h ILE 119 CO 0.07 0.80 -0.04 0.58 -0.69 0.00 0.00 178.15 178.87 3kfb h VAL 120 N 0.07 1.16 0.00 1.67 2.07 -1.33 -2.66 116.25 117.23 3kfb h VAL 120 Ca -0.04 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3kfb h VAL 120 Cb 1.53 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3kfb h VAL 120 CO 0.13 0.25 -0.08 1.62 0.02 0.00 0.00 177.57 179.50 3kfb h VAL 121 N -0.59 0.40 -0.04 2.57 3.04 -1.40 -0.70 116.25 119.52 3kfb h VAL 121 Ca -0.01 -0.44 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 3kfb h VAL 121 Cb 0.49 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3kfb h VAL 121 CO 0.02 0.08 -0.11 0.50 -1.01 0.00 0.00 177.57 177.05 3kfb h LYS 122 N 0.00 0.14 -0.17 4.17 3.64 -1.36 -2.80 116.57 120.19 3kfb h LYS 122 Ca -0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3kfb h LYS 122 Cb 0.31 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3kfb h LYS 122 CO 0.01 0.72 -0.31 0.78 -2.27 0.00 0.00 179.45 178.38 3kfb h GLY 123 N -0.42 0.36 1.56 5.01 0.00 -1.25 -1.92 103.07 106.41 3kfb h GLY 123 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3kfb h GLY 123 CO 0.02 0.28 -0.17 -0.97 0.00 0.00 0.00 176.54 175.70 3kfb h TYR 124 N 0.29 0.57 0.12 5.60 0.99 -1.18 -0.89 116.97 122.48 3kfb h TYR 124 Ca 0.04 -0.10 -0.27 0.00 2.00 0.00 0.00 58.73 60.39 3kfb h TYR 124 Cb 0.69 -0.15 0.01 0.00 1.00 0.00 0.00 36.73 38.28 3kfb h TYR 124 CO 0.02 0.67 -1.23 0.37 -0.00 0.00 0.00 178.16 177.98 3kfb h GLN 125 N 0.48 0.28 0.00 4.88 4.15 -1.36 -2.16 115.11 121.38 3kfb h GLN 125 Ca 0.08 -0.47 -0.07 0.00 0.77 0.00 0.00 58.65 58.96 3kfb h GLN 125 Cb 0.57 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3kfb h GLN 125 CO 0.04 1.22 -0.35 0.00 -1.93 0.00 0.00 178.83 177.81 3kfb h ALA 126 N 0.58 1.39 0.15 3.38 0.00 -1.21 -2.02 119.26 121.53 3kfb h ALA 126 Ca -0.13 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 3kfb h ALA 126 Cb 1.96 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.70 3kfb h ALA 126 CO 0.20 0.44 -1.36 0.00 0.00 0.00 0.00 179.25 178.53 3kfb h ALA 127 N 1.65 0.09 0.00 0.00 0.00 -1.14 -2.93 119.26 116.93 3kfb h ALA 127 Ca -0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 53.91 3kfb h ALA 127 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kfb h ALA 127 CO 0.05 0.96 -0.28 0.00 0.00 0.00 0.00 179.25 179.98 3kfb h ALA 128 N 0.48 0.93 0.10 0.00 0.00 -1.26 -0.48 119.26 119.03 3kfb h ALA 128 Ca -0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kfb h ALA 128 Cb 2.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3kfb h ALA 128 CO 0.21 0.35 -0.05 0.37 0.00 0.00 0.00 179.25 180.13 3kfb h GLN 129 N 0.00 -0.12 -0.20 0.00 4.15 -1.44 -2.81 115.11 114.69 3kfb h GLN 129 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3kfb h GLN 129 Cb 0.92 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 3kfb h GLN 129 CO 0.04 0.22 0.05 -0.22 -1.93 0.00 0.00 178.83 176.99 3kfb h LYS 130 N -0.49 0.28 -0.12 1.69 1.63 -1.33 -2.73 116.57 115.51 3kfb h LYS 130 Ca -0.01 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.63 3kfb h LYS 130 Cb 0.40 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3kfb h LYS 130 CO 0.02 0.27 -0.46 0.00 -3.45 0.00 0.00 179.45 175.84 3kfb h ALA 131 N 1.77 1.01 -0.35 5.00 0.00 -1.04 -0.72 119.26 124.94 3kfb h ALA 131 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3kfb h ALA 131 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kfb h ALA 131 CO -0.00 0.63 -0.39 1.96 0.00 0.00 0.00 179.25 181.45 3kfb h GLN 132 N 0.23 0.87 0.00 0.00 1.08 -1.22 -2.11 115.11 113.96 3kfb h GLN 132 Ca 0.01 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3kfb h GLN 132 Cb 0.90 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3kfb h GLN 132 CO 0.07 1.12 -0.41 -0.85 -0.95 0.00 0.00 178.83 177.81 3kfb n GLU 133 N -4.10 0.27 0.06 1.46 0.28 -1.12 -2.92 120.64 114.56 3kfb n GLU 133 Ca -0.03 0.12 -0.06 0.00 -0.16 0.00 0.00 57.16 57.03 3kfb n GLU 133 Cb 0.54 -1.71 -0.11 0.00 1.43 0.00 0.00 31.44 31.59 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 -0.85 -1.84 3.38 -1.16 -3.33 115.31 111.50 3kfb h LEU 134 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kfb h LEU 134 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3kfb h LEU 134 CO 0.00 0.93 -0.43 -0.07 0.09 0.00 0.00 178.44 178.96 3kfb h LEU 135 N 0.00 0.00 -0.88 1.67 3.38 -1.31 -3.09 115.31 115.08 3kfb h LEU 135 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kfb h LEU 135 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3kfb h LEU 135 CO 0.11 0.43 -0.29 0.11 0.09 0.00 0.00 178.44 178.89 3kfb h LYS 136 N 0.00 0.48 0.04 1.13 1.57 -1.64 -2.77 116.57 115.39 3kfb h LYS 136 Ca -0.00 -0.20 -0.23 0.00 -1.87 0.00 0.00 60.65 58.35 3kfb h LYS 136 Cb 0.96 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3kfb h LYS 136 CO 0.06 0.73 -1.02 1.79 -0.57 0.00 0.00 179.45 180.43 3kfb h THR 137 N 0.42 1.50 -0.14 -0.16 1.35 -1.68 -3.27 112.91 110.94 3kfb h THR 137 Ca 0.06 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 3kfb h THR 137 Cb 0.72 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3kfb h THR 137 CO 0.06 0.82 0.00 2.30 -0.25 0.00 0.00 175.52 178.45 3kfb n ILE 138 N -3.60 0.17 -3.03 6.82 -5.35 -1.17 -4.85 119.36 108.34 3kfb n ILE 138 Ca -0.05 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 3kfb n ILE 138 Cb 0.90 0.48 -0.05 0.00 -1.74 0.00 0.00 39.64 39.22 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 -1.83 3.58 0.40 -1.28 0.00 -1.05 -4.86 121.76 116.71 3kfb s ALA 139 Ca 0.34 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 3kfb s ALA 139 Cb 0.19 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.13 3kfb s ALA 139 CO 0.29 -0.71 1.20 0.00 0.00 0.00 0.00 175.76 176.54 3kfb s GLU 141 N -2.28 4.33 -0.01 0.00 0.41 -1.26 -1.43 118.70 118.45 3kfb s GLU 141 Ca 0.57 0.51 0.03 0.00 -0.41 0.00 0.00 54.97 55.67 3kfb s GLU 141 Cb -0.32 -3.46 -0.00 0.00 -1.78 0.00 0.00 34.13 28.57 3kfb s GLU 141 CO 0.41 0.10 -0.08 0.08 -0.49 0.00 0.00 175.26 175.27 3kfb s VAL 142 N 0.80 0.69 0.29 2.63 1.01 0.27 -4.98 120.40 121.11 3kfb s VAL 142 Ca 0.28 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3kfb s VAL 142 Cb -0.16 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 3kfb s VAL 142 CO 0.11 0.20 1.12 -0.83 0.00 0.00 0.00 175.10 175.70 3kfb s GLY 143 N -0.07 3.04 0.11 4.51 0.00 -1.26 -4.54 107.32 109.10 3kfb s GLY 143 Ca 0.01 0.92 0.07 0.00 0.00 0.00 0.00 44.72 45.72 3kfb s GLY 143 CO -0.00 1.52 1.19 0.00 0.00 0.00 0.00 173.10 175.80 3kfb n ALA 144 N 1.06 0.96 -1.55 3.20 0.00 -1.26 -2.04 120.51 120.87 3kfb n ALA 144 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.56 3kfb n ALA 144 Cb 0.45 -1.04 0.15 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.72 1.18 -2.51 0.00 6.02 -1.26 -4.70 117.38 114.39 3kfb n GLN 145 Ca -0.00 -2.73 -0.40 0.00 -0.01 0.00 0.00 57.00 53.86 3kfb n GLN 145 Cb 0.04 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.80 6.45 0.38 1.08 3.68 -0.87 -4.82 116.67 119.78 3kfb s ASP 146 Ca 0.32 -1.70 0.05 0.00 2.13 0.00 0.00 52.55 53.36 3kfb s ASP 146 Cb 0.31 -2.57 0.75 0.00 -1.45 0.00 0.00 42.92 39.96 3kfb s ASP 146 CO -0.04 -1.56 2.02 0.11 0.13 0.00 0.00 175.17 175.83 3kfb h LYS 147 N 9.24 0.70 -0.16 4.34 1.57 -1.92 0.90 116.57 131.25 3kfb h LYS 147 Ca 0.27 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3kfb h LYS 147 Cb 0.97 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3kfb h LYS 147 CO 1.42 0.46 -0.29 1.05 -0.57 0.00 0.00 179.45 181.52 3kfb h GLU 148 N 0.72 0.30 0.20 3.15 4.11 -1.99 -0.80 114.58 120.27 3kfb h GLU 148 Ca 0.22 -0.11 -0.27 0.00 0.07 0.00 0.00 59.36 59.27 3kfb h GLU 148 Cb -0.00 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.26 3kfb h GLU 148 CO -0.05 0.57 -1.17 0.82 0.07 0.00 0.00 179.01 179.24 3kfb h ILE 149 N 0.27 1.39 -0.63 -1.06 2.04 -1.49 -2.94 117.51 115.08 3kfb h ILE 149 Ca 0.04 -2.62 0.04 0.00 1.00 0.00 0.00 64.86 63.32 3kfb h ILE 149 Cb 0.65 3.12 -0.04 0.00 -0.74 0.00 0.00 36.82 39.82 3kfb h ILE 149 CO 0.05 0.77 0.42 -0.07 0.00 0.00 0.00 178.15 179.31 3kfb h LEU 150 N -0.10 0.61 -0.59 1.44 3.38 -0.90 -1.45 115.31 117.70 3kfb h LEU 150 Ca -0.21 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3kfb h LEU 150 Cb 1.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3kfb h LEU 150 CO 0.22 0.41 -0.36 0.74 0.09 0.00 0.00 178.44 179.54 3kfb h THR 151 N 0.70 1.29 -0.33 0.22 2.02 -1.20 -0.82 112.91 114.79 3kfb h THR 151 Ca 0.26 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 3kfb h THR 151 Cb 0.15 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3kfb h THR 151 CO -0.07 0.49 -0.11 0.11 0.37 0.00 0.00 175.52 176.31 3kfb h LYS 152 N 0.60 0.56 -0.22 6.66 1.57 -1.27 0.40 116.57 124.86 3kfb h LYS 152 Ca 0.06 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 3kfb h LYS 152 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3kfb h LYS 152 CO 0.08 0.66 -0.61 0.82 -0.57 0.00 0.00 179.45 179.83 3kfb h ILE 153 N 0.51 1.29 -0.29 1.86 2.04 -0.88 -0.86 117.51 121.19 3kfb h ILE 153 Ca 0.10 -1.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.02 3kfb h ILE 153 Cb 0.49 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3kfb h ILE 153 CO 0.03 0.58 -0.29 0.00 0.00 0.00 0.00 178.15 178.47 3kfb h ALA 154 N 0.75 0.96 -0.07 1.87 0.00 -1.10 -2.97 119.26 118.69 3kfb h ALA 154 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3kfb h ALA 154 Cb 1.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3kfb h ALA 154 CO 0.13 0.61 -0.66 1.98 0.00 0.00 0.00 179.25 181.30 3kfb h MET 155 N 0.51 0.31 0.00 0.00 1.85 -0.73 -2.64 114.93 114.24 3kfb h MET 155 Ca 0.07 -0.24 -0.05 0.00 -0.61 0.00 0.00 59.70 58.87 3kfb h MET 155 Cb 0.76 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.82 3kfb h MET 155 CO 0.06 0.86 -0.25 1.15 -0.40 0.00 0.00 176.91 178.34 3kfb h THR 156 N 0.22 0.55 0.18 -0.77 2.02 -1.18 -2.68 112.91 111.24 3kfb h THR 156 Ca -0.02 -1.26 -0.24 0.00 0.77 0.00 0.00 66.41 65.67 3kfb h THR 156 Cb 1.21 1.87 0.03 0.00 -1.74 0.00 0.00 68.15 69.51 3kfb h THR 156 CO 0.11 0.24 -1.04 -1.28 0.37 0.00 0.00 175.52 173.92 3kfb h SER 157 N 0.00 0.61 -0.55 4.18 0.87 -1.35 -3.33 113.55 113.98 3kfb h SER 157 Ca -0.00 -0.94 -0.07 0.00 -1.23 0.00 0.00 61.79 59.56 3kfb h SER 157 Cb 0.85 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 3kfb h SER 157 CO 0.03 1.50 0.09 0.40 -0.53 0.00 0.00 176.83 178.32 3kfb h ILE 158 N -0.18 1.25 -4.00 2.23 2.04 -1.50 -3.39 117.51 113.97 3kfb h ILE 158 Ca -0.18 -0.97 -0.53 0.00 1.00 0.00 0.00 64.86 64.18 3kfb h ILE 158 Cb 1.82 0.82 0.09 0.00 -0.74 0.00 0.00 36.82 38.81 3kfb h ILE 158 CO 0.20 0.35 0.57 -0.89 0.00 0.00 0.00 178.15 178.37 3kfb s THR 159 N -5.19 2.60 0.00 -0.27 2.01 -1.01 -2.52 115.64 111.26 3kfb s THR 159 Ca -0.12 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3kfb s THR 159 Cb 0.12 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3kfb s THR 159 CO 0.82 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 3kfb n GLY 160 N 0.60 2.25 0.19 4.40 0.00 -1.26 -4.61 105.19 106.77 3kfb n GLY 160 Ca 0.07 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.67 0.00 1.61 5.02 -1.05 -4.17 118.16 120.24 3kfb n LYS 161 Ca 0.00 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 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 1.36 4.48 0.25 0.72 0.00 -1.21 -4.87 105.19 105.92 3kfb n GLY 162 Ca 0.11 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 1.60 0.00 4.61 0.00 -1.86 -2.90 119.26 120.71 3kfb h ALA 163 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kfb h ALA 163 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kfb h ALA 163 CO 0.00 0.15 -0.16 1.05 0.00 0.00 0.00 179.25 180.29 3kfb h GLU 164 N 0.00 0.00 0.00 0.00 9.09 -1.94 -2.74 114.58 118.99 3kfb h GLU 164 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.23 3kfb h GLU 164 Cb 0.24 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.32 3kfb h GLU 164 CO 0.02 0.16 -0.84 0.87 0.05 0.00 0.00 179.01 179.27 3kfb h LYS 165 N 0.00 0.00 -4.63 1.06 1.57 -1.83 -3.40 116.57 109.33 3kfb h LYS 165 Ca -0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3kfb h LYS 165 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3kfb h LYS 165 CO 0.02 0.84 2.48 0.00 -0.57 0.00 0.00 179.45 182.21 3kfb n ALA 166 N -2.32 4.07 -2.30 3.86 0.00 -1.03 -4.94 120.51 117.84 3kfb n ALA 166 Ca 0.00 -3.59 -0.39 0.00 0.00 0.00 0.00 53.44 49.46 3kfb n ALA 166 Cb 0.85 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 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 4.33 4.18 0.17 0.00 2.20 -1.26 -4.98 119.74 124.38 3kfb s LYS 167 Ca 0.54 0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 56.70 3kfb s LYS 167 Cb 0.11 -3.24 0.13 0.00 -1.51 0.00 0.00 37.83 33.31 3kfb s LYS 167 CO 0.03 0.64 1.66 0.93 -0.36 0.00 0.00 175.35 178.25 3kfb h GLU 168 N 4.59 0.01 0.00 4.03 4.39 -1.99 -2.58 114.58 123.03 3kfb h GLU 168 Ca -0.50 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3kfb h GLU 168 Cb 1.21 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3kfb h GLU 168 CO 0.63 0.01 0.00 0.87 -1.16 0.00 0.00 179.01 179.36 3kfb h LYS 169 N 0.01 0.00 0.22 2.33 1.57 -2.00 -2.57 116.57 116.14 3kfb h LYS 169 Ca 0.22 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.66 3kfb h LYS 169 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.66 3kfb h LYS 169 CO -0.45 0.00 -1.50 1.25 -0.57 0.00 0.00 179.45 178.18 3kfb h LEU 170 N 0.00 0.73 -0.82 2.94 5.85 -1.86 -3.05 115.31 119.11 3kfb h LEU 170 Ca 0.00 -0.83 -0.08 0.00 0.84 0.00 0.00 57.88 57.80 3kfb h LEU 170 Cb 0.37 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kfb h LEU 170 CO 0.00 1.66 -0.02 0.00 -0.34 0.00 0.00 178.44 179.74 3kfb h ALA 171 N 0.23 1.01 -0.51 1.25 0.00 -1.41 -1.85 119.26 117.98 3kfb h ALA 171 Ca -0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3kfb h ALA 171 Cb 2.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3kfb h ALA 171 CO 0.25 0.61 0.04 0.93 0.00 0.00 0.00 179.25 181.07 3kfb h GLU 172 N 0.80 0.83 -0.60 0.00 5.08 -1.59 -1.32 114.58 117.78 3kfb h GLU 172 Ca 0.15 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3kfb h GLU 172 Cb 0.51 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kfb h GLU 172 CO 0.03 0.81 0.03 0.82 -1.00 0.00 0.00 179.01 179.69 3kfb h ILE 173 N 0.78 1.26 -0.14 3.13 2.04 -1.38 -2.30 117.51 120.91 3kfb h ILE 173 Ca 0.16 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 3kfb h ILE 173 Cb 0.41 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3kfb h ILE 173 CO 0.01 0.40 -0.35 0.40 0.00 0.00 0.00 178.15 178.61 3kfb h ILE 174 N 0.94 1.37 -0.59 -0.67 2.04 -0.96 -2.16 117.51 117.48 3kfb h ILE 174 Ca 0.18 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3kfb h ILE 174 Cb 0.51 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 3kfb h ILE 174 CO 0.02 0.49 0.37 0.58 0.00 0.00 0.00 178.15 179.61 3kfb h VAL 175 N 0.08 1.16 0.00 1.67 2.07 -1.25 -1.40 116.25 118.58 3kfb h VAL 175 Ca -0.01 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3kfb h VAL 175 Cb 0.96 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3kfb h VAL 175 CO 0.08 0.16 -0.53 -0.08 0.02 0.00 0.00 177.57 177.22 3kfb h GLU 176 N 0.81 0.00 0.17 1.57 4.81 -1.26 -2.05 114.58 118.62 3kfb h GLU 176 Ca 0.21 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.14 3kfb h GLU 176 Cb -0.05 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.36 3kfb h GLU 176 CO -0.04 0.53 -1.29 0.00 -0.73 0.00 0.00 179.01 177.48 3kfb h ALA 177 N 1.47 -0.07 -0.15 2.92 0.00 -0.86 -3.14 119.26 119.41 3kfb h ALA 177 Ca -0.01 -0.79 -0.13 0.00 0.00 0.00 0.00 54.91 53.98 3kfb h ALA 177 Cb 1.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kfb h ALA 177 CO 0.07 0.66 -0.48 0.28 0.00 0.00 0.00 179.25 179.78 3kfb h VAL 178 N 0.17 1.33 -0.01 0.00 2.07 -1.30 -2.95 116.25 115.56 3kfb h VAL 178 Ca -0.21 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 3kfb h VAL 178 Cb 1.98 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3kfb h VAL 178 CO 0.25 0.52 -0.20 0.28 0.02 0.00 0.00 177.57 178.44 3kfb h SER 179 N 0.32 0.01 0.50 0.57 0.02 -1.47 -3.19 113.55 110.32 3kfb h SER 179 Ca 0.02 -0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 3kfb h SER 179 Cb 0.96 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3kfb h SER 179 CO 0.08 0.21 -1.05 0.00 -1.14 0.00 0.00 176.83 174.93 3kfb h ALA 180 N 1.79 0.29 -0.38 3.77 0.00 -1.47 -3.30 119.26 119.97 3kfb h ALA 180 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3kfb h ALA 180 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kfb h ALA 180 CO 0.03 0.90 0.00 1.33 0.00 0.00 0.00 179.25 181.51 3kfb n VAL 181 N -3.64 0.75 -2.28 0.00 0.24 -1.20 -4.60 118.33 107.60 3kfb n VAL 181 Ca -0.07 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.34 61.22 3kfb n VAL 181 Cb 0.90 0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.58 3.99 -0.49 3.34 1.01 -1.25 -4.43 120.40 120.99 3kfb s VAL 182 Ca 0.27 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 63.17 3kfb s VAL 182 Cb 0.16 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3kfb s VAL 182 CO 0.16 -0.24 0.89 1.51 0.00 0.00 0.00 175.10 177.42 3kfb s ASP 183 N 2.95 6.41 -0.05 3.32 -4.77 -0.90 -4.95 116.67 118.68 3kfb s ASP 183 Ca 0.62 -0.15 -0.30 0.00 -3.30 0.00 0.00 52.55 49.43 3kfb s ASP 183 Cb -0.23 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 3kfb s ASP 183 CO 0.23 -1.08 1.38 -1.81 0.70 0.00 0.00 175.17 174.58 3kfb s ASP 184 N 2.47 6.88 -0.04 2.11 1.01 -1.26 -1.79 116.67 126.04 3kfb s ASP 184 Ca 0.32 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.62 3kfb s ASP 184 Cb -0.12 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3kfb s ASP 184 CO 0.22 -0.73 -0.15 -1.61 0.21 0.00 0.00 175.17 173.11 3kfb s GLU 185 N 2.81 2.45 -0.12 8.23 2.02 -1.26 -5.04 118.70 127.79 3kfb s GLU 185 Ca 0.62 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.93 3kfb s GLU 185 Cb -0.29 -2.34 0.14 0.00 0.10 0.00 0.00 34.13 31.74 3kfb s GLU 185 CO 0.24 0.62 0.97 0.41 0.02 0.00 0.00 175.26 177.51 3kfb n GLY 186 N 2.28 0.67 3.95 -1.39 0.00 -0.74 -5.15 105.19 104.80 3kfb n GLY 186 Ca -0.17 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 0.05 3.11 -0.20 1.61 -0.14 -1.19 -4.68 119.74 118.30 3kfb s LYS 187 Ca 0.03 -0.46 -0.02 0.00 -1.36 0.00 0.00 55.97 54.16 3kfb s LYS 187 Cb 0.16 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.75 3kfb s LYS 187 CO -0.05 -0.24 -0.11 0.08 -0.76 0.00 0.00 175.35 174.27 3kfb s VAL 188 N -2.54 2.78 -0.37 3.17 1.01 -1.26 -2.13 120.40 121.06 3kfb s VAL 188 Ca 0.48 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 3kfb s VAL 188 Cb -0.10 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3kfb s VAL 188 CO 0.38 0.47 0.66 -0.62 0.00 0.00 0.00 175.10 175.98 3kfb s ASP 189 N 1.39 6.43 0.57 3.32 3.68 -1.26 -4.94 116.67 125.86 3kfb s ASP 189 Ca 0.05 0.12 0.33 0.00 2.13 0.00 0.00 52.55 55.18 3kfb s ASP 189 Cb -0.14 -2.34 1.72 0.00 -1.45 0.00 0.00 42.92 40.72 3kfb s ASP 189 CO -0.08 -0.64 2.16 0.11 0.13 0.00 0.00 175.17 176.85 3kfb h LYS 190 N 8.52 0.00 0.00 4.34 6.56 -1.96 -2.50 116.57 131.53 3kfb h LYS 190 Ca -0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 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 0.86 0.06 0.00 -0.25 -2.06 0.00 0.00 179.45 178.05 3kfb n ASP 191 N -3.46 0.00 0.17 0.86 8.00 -1.26 -3.10 116.55 117.76 3kfb n ASP 191 Ca -0.02 0.39 0.11 0.00 0.71 0.00 0.00 54.79 55.98 3kfb n ASP 191 Cb 0.19 -0.46 0.10 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.81 -3.41 115.31 106.08 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 0.46 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.99 3kfb h LEU 192 CO 0.00 0.03 0.19 -0.63 0.09 0.00 0.00 178.44 178.13 3kfb s ILE 193 N -3.25 5.04 -0.10 1.22 1.01 -1.18 -1.90 121.20 122.04 3kfb s ILE 193 Ca 0.04 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 3kfb s ILE 193 Cb 0.07 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 3kfb s ILE 193 CO 0.72 -1.14 1.26 -0.75 0.00 0.00 0.00 174.94 175.02 3kfb s LYS 194 N 1.94 4.29 -0.29 2.79 2.20 0.13 -4.86 119.74 125.93 3kfb s LYS 194 Ca 0.16 1.70 -0.09 0.00 -0.36 0.00 0.00 55.97 57.37 3kfb s LYS 194 Cb -0.18 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 3kfb s LYS 194 CO -0.00 -0.59 0.14 0.42 -0.36 0.00 0.00 175.35 174.96 3kfb s ILE 195 N 2.88 4.70 -0.07 5.43 1.01 -1.26 0.22 121.20 134.10 3kfb s ILE 195 Ca 0.56 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3kfb s ILE 195 Cb -0.24 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3kfb s ILE 195 CO 0.19 0.16 -0.12 -0.70 0.00 0.00 0.00 174.94 174.47 3kfb s GLU 196 N 1.65 2.76 -0.32 2.79 2.56 -0.39 -4.97 118.70 122.78 3kfb s GLU 196 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 54.97 54.39 3kfb s GLU 196 Cb -0.16 -2.49 0.08 0.00 2.00 0.00 0.00 34.13 33.56 3kfb s GLU 196 CO 0.07 0.54 0.01 0.15 -0.56 0.00 0.00 175.26 175.46 3kfb s LYS 197 N -0.50 1.92 0.15 4.30 1.02 -1.26 -0.39 119.74 124.98 3kfb s LYS 197 Ca 0.07 -1.62 0.08 0.00 0.02 0.00 0.00 55.97 54.52 3kfb s LYS 197 Cb -0.12 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3kfb s LYS 197 CO 0.02 -0.79 -0.18 0.15 -0.92 0.00 0.00 175.35 173.62 3kfb s LYS 198 N 1.04 1.23 0.00 1.68 -0.14 -1.11 -5.03 119.74 117.40 3kfb s LYS 198 Ca 0.02 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.28 3kfb s LYS 198 Cb -0.20 -1.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 3kfb s LYS 198 CO -0.06 0.27 0.00 -1.13 -0.76 0.00 0.00 175.35 173.67 3kfb n SER 199 N 0.44 0.00 0.00 2.83 3.41 -1.26 -3.60 113.62 115.43 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 2.64 1.43 3.38 5.00 0.00 -1.23 -3.89 105.19 112.52 3kfb n GLY 200 Ca 0.00 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.98 3.91 0.00 4.61 0.00 -1.26 -3.34 121.76 123.70 3kfb s ALA 201 Ca 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.76 3kfb s ALA 201 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3kfb s ALA 201 CO 0.00 -2.53 0.00 0.45 0.00 0.00 0.00 175.76 173.68 3kfb n SER 202 N 4.77 0.00 0.00 0.00 2.88 -1.26 -4.79 113.62 115.21 3kfb n SER 202 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 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 -0.44 -4.39 119.36 123.25 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 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 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 0.04 0.86 -1.37 4.38 8.00 -1.26 -4.17 116.55 123.02 3kfb n ASP 204 Ca 0.00 -0.92 0.08 0.00 0.71 0.00 0.00 54.79 54.66 3kfb n ASP 204 Cb 0.00 1.01 0.30 0.00 -0.02 0.00 0.00 41.12 42.41 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 -1.44 4.04 -4.68 -2.24 9.92 -1.26 -4.88 116.55 116.00 3kfb n ASP 205 Ca 0.03 -2.34 -0.42 0.00 -0.53 0.00 0.00 54.79 51.53 3kfb n ASP 205 Cb 0.29 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 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 -1.73 4.19 0.18 -3.53 -4.23 -1.26 -4.67 115.64 104.59 3kfb s THR 206 Ca 0.43 1.51 0.09 0.00 -1.18 0.00 0.00 61.69 62.55 3kfb s THR 206 Cb 0.27 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 3kfb s THR 206 CO 0.22 -0.02 -0.19 -1.83 -0.54 0.00 0.00 174.62 172.26 3kfb s GLU 207 N 2.45 1.34 -0.25 3.99 -1.05 -0.88 -4.98 118.70 119.31 3kfb s GLU 207 Ca 0.57 -1.46 -0.20 0.00 -0.15 0.00 0.00 54.97 53.73 3kfb s GLU 207 Cb -0.25 -1.42 -0.02 0.00 -0.44 0.00 0.00 34.13 32.00 3kfb s GLU 207 CO 0.21 0.29 0.62 -1.17 0.95 0.00 0.00 175.26 176.16 3kfb s LEU 208 N -2.76 4.06 -0.30 1.83 2.96 -1.26 -1.71 118.68 121.50 3kfb s LEU 208 Ca 0.18 0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 54.67 3kfb s LEU 208 Cb -0.06 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 3kfb s LEU 208 CO 0.08 -0.36 0.18 -0.63 -1.32 0.00 0.00 176.35 174.29 3kfb s ILE 209 N 2.49 5.03 -1.39 6.68 1.01 0.32 -4.99 121.20 130.36 3kfb s ILE 209 Ca 0.26 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 3kfb s ILE 209 Cb -0.15 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 38.93 3kfb s ILE 209 CO 0.08 0.17 2.05 0.29 0.00 0.00 0.00 174.94 177.53 3kfb n LYS 210 N 5.04 3.10 -0.16 2.79 5.02 -1.26 -1.79 118.16 130.88 3kfb n LYS 210 Ca -0.14 -2.96 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 3kfb n LYS 210 Cb 0.51 -3.23 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 3.99 -0.76 3.10 0.72 0.00 -1.26 -1.85 105.19 109.14 3kfb n GLY 211 Ca 0.48 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.95 0.74 -0.29 1.61 1.01 -0.43 -2.91 120.40 116.18 3kfb s VAL 212 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 3kfb s VAL 212 Cb 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.60 3kfb s VAL 212 CO 0.00 -0.36 -0.00 -0.22 0.00 0.00 0.00 175.10 174.51 3kfb s LEU 213 N -1.72 3.74 -0.24 3.92 2.96 -1.26 -1.99 118.68 124.08 3kfb s LEU 213 Ca -0.06 -1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 3kfb s LEU 213 Cb -0.09 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3kfb s LEU 213 CO 0.01 -0.23 0.25 -0.69 -1.32 0.00 0.00 176.35 174.38 3kfb s VAL 214 N 1.30 5.28 -0.16 1.68 1.01 -0.82 -4.98 120.40 123.71 3kfb s VAL 214 Ca -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 3kfb s VAL 214 Cb -0.19 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 3kfb s VAL 214 CO -0.01 0.27 2.87 -0.67 0.00 0.00 0.00 175.10 177.56 3kfb n ASP 215 N 4.65 4.41 -4.20 3.32 2.03 -1.26 -2.13 116.55 123.36 3kfb n ASP 215 Ca -0.12 -2.28 -0.12 0.00 0.52 0.00 0.00 54.79 52.79 3kfb n ASP 215 Cb 0.52 -1.13 -0.10 0.00 -0.72 0.00 0.00 41.12 39.69 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 1.62 1.06 0.49 -0.67 2.20 -1.26 -5.02 119.74 118.16 3kfb s LYS 216 Ca 0.52 -1.52 0.05 0.00 -0.36 0.00 0.00 55.97 54.66 3kfb s LYS 216 Cb 0.23 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 3kfb s LYS 216 CO -0.01 -0.23 0.18 -1.21 -0.36 0.00 0.00 175.35 173.72 3kfb s GLU 217 N -4.01 2.21 0.20 4.03 2.02 -1.26 -3.20 118.70 118.69 3kfb s GLU 217 Ca 0.26 -2.11 -0.31 0.00 0.02 0.00 0.00 54.97 52.83 3kfb s GLU 217 Cb 0.07 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.37 3kfb s GLU 217 CO 0.04 -0.35 1.47 -0.98 0.02 0.00 0.00 175.26 175.46 3kfb s ARG 218 N -4.00 4.27 0.41 1.61 1.70 -1.26 -4.64 118.95 117.03 3kfb s ARG 218 Ca 0.26 2.27 0.09 0.00 -0.47 0.00 0.00 55.73 57.88 3kfb s ARG 218 Cb 0.02 -3.15 0.86 0.00 -0.57 0.00 0.00 34.95 32.10 3kfb s ARG 218 CO 0.15 -0.47 2.00 -0.24 -1.08 0.00 0.00 175.30 175.65 3kfb h VAL 219 N 3.80 1.13 -4.07 4.99 3.04 -1.42 -3.41 116.25 120.30 3kfb h VAL 219 Ca -0.44 -0.45 -0.57 0.00 -1.01 0.00 0.00 66.70 64.23 3kfb h VAL 219 Cb 1.21 0.88 -0.31 0.00 -2.01 0.00 0.00 31.29 31.06 3kfb h VAL 219 CO 0.83 0.16 -0.84 -0.55 -1.01 0.00 0.00 177.57 176.16 3kfb s SER 220 N -6.82 2.24 0.44 3.17 0.15 -1.26 -5.01 113.70 106.61 3kfb s SER 220 Ca -0.07 -0.36 0.31 0.00 0.70 0.00 0.00 55.95 56.53 3kfb s SER 220 Cb 0.16 -0.49 1.43 0.00 -1.71 0.00 0.00 66.02 65.41 3kfb s SER 220 CO 0.73 0.19 1.92 0.00 1.20 0.00 0.00 173.24 177.28 3kfb h ALA 221 N 6.03 1.00 0.00 5.45 0.00 -1.99 -2.37 119.26 127.39 3kfb h ALA 221 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kfb h ALA 221 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 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 -2.68 0.25 -2.67 0.00 7.27 -1.26 -4.83 117.38 113.45 3kfb n GLN 222 Ca -0.00 0.28 -0.33 0.00 0.07 0.00 0.00 57.00 57.02 3kfb n GLN 222 Cb 0.19 -1.84 -0.06 0.00 2.41 0.00 0.00 30.24 30.95 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 -3.17 4.08 0.93 3.69 -1.94 -0.89 -4.98 119.30 117.01 3kfb s MET 223 Ca 0.09 1.13 -0.10 0.00 -1.71 0.00 0.00 55.69 55.10 3kfb s MET 223 Cb 0.11 -2.15 0.15 0.00 2.01 0.00 0.00 34.83 34.95 3kfb s MET 223 CO 0.54 -0.16 1.14 -2.30 -0.01 0.00 0.00 175.02 174.22 3kfb n PRO 224 N -0.90 -0.51 0.00 2.03 -0.02 -1.26 -4.97 135.00 129.37 3kfb n PRO 224 Ca 0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3kfb n PRO 224 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 -4.26 -0.39 -3.62 -0.52 4.81 -1.26 -4.85 118.16 108.07 3kfb n LYS 225 Ca 0.12 -0.41 -0.07 0.00 -0.87 0.00 0.00 58.31 57.08 3kfb n LYS 225 Cb 0.52 -0.91 -0.08 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 -0.06 0.37 -0.09 1.64 2.20 -1.26 -1.67 119.74 120.87 3kfb s LYS 226 Ca 0.00 1.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.70 3kfb s LYS 226 Cb 0.00 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.71 3kfb s LYS 226 CO 0.00 -0.28 -0.15 0.08 -0.36 0.00 0.00 175.35 174.64 3kfb s VAL 227 N 2.66 1.39 -0.03 4.02 1.01 -0.27 -5.02 120.40 124.17 3kfb s VAL 227 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3kfb s VAL 227 Cb -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3kfb s VAL 227 CO -0.14 0.42 0.11 0.42 0.00 0.00 0.00 175.10 175.90 3kfb s THR 228 N 0.82 4.99 -1.34 3.92 -4.23 -1.26 -1.67 115.64 116.87 3kfb s THR 228 Ca -0.11 -0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 3kfb s THR 228 Cb -0.16 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.43 3kfb s THR 228 CO 0.02 0.40 0.46 0.47 -0.54 0.00 0.00 174.62 175.43 3kfb n ASP 229 N 1.30 -2.05 -4.80 3.99 8.00 -0.73 -4.91 116.55 117.35 3kfb n ASP 229 Ca -0.14 -1.16 -0.37 0.00 0.71 0.00 0.00 54.79 53.84 3kfb n ASP 229 Cb 0.53 -2.37 -0.06 0.00 -0.02 0.00 0.00 41.12 39.20 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 -3.85 3.34 -0.32 2.24 0.00 -0.80 -4.93 121.76 117.44 3kfb s ALA 230 Ca 0.23 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 3kfb s ALA 230 Cb -0.11 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3kfb s ALA 230 CO 0.93 0.27 0.22 0.15 0.00 0.00 0.00 175.76 177.33 3kfb s LYS 231 N -1.97 3.65 -0.21 0.00 3.01 -1.26 -2.98 119.74 119.98 3kfb s LYS 231 Ca 0.45 -0.54 -0.09 0.00 -1.01 0.00 0.00 55.97 54.79 3kfb s LYS 231 Cb -0.18 -3.75 -0.04 0.00 -1.01 0.00 0.00 37.83 32.85 3kfb s LYS 231 CO 0.22 -0.35 0.10 0.42 0.51 0.00 0.00 175.35 176.25 3kfb s ILE 232 N 1.73 4.99 -0.11 2.17 1.01 -0.19 -2.03 121.20 128.78 3kfb s ILE 232 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 3kfb s ILE 232 Cb -0.17 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3kfb s ILE 232 CO 0.11 0.41 -0.02 0.00 0.00 0.00 0.00 174.94 175.43 3kfb s ALA 233 N 0.75 3.16 -0.17 9.38 0.00 -0.40 0.25 121.76 134.72 3kfb s ALA 233 Ca 0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 3kfb s ALA 233 Cb -0.13 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 3kfb s ALA 233 CO 0.02 0.44 -0.11 -0.51 0.00 0.00 0.00 175.76 175.60 3kfb s LEU 234 N -0.40 2.65 -0.15 0.00 1.02 -1.26 -2.21 118.68 118.34 3kfb s LEU 234 Ca 0.07 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.82 3kfb s LEU 234 Cb -0.12 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.47 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 0.98 2.11 0.08 1.79 1.43 -0.86 -1.95 118.68 122.25 3kfb s LEU 235 Ca -0.01 -0.62 0.24 0.00 -1.03 0.00 0.00 54.13 52.71 3kfb s LEU 235 Cb -0.15 -1.45 0.41 0.00 0.03 0.00 0.00 46.19 45.03 3kfb s LEU 235 CO -0.01 0.05 1.35 -3.20 0.23 0.00 0.00 176.35 174.77 3kfb n ASN 236 N 4.26 0.62 -4.84 2.29 5.15 -0.24 -0.93 115.26 121.57 3kfb n ASN 236 Ca -0.20 0.03 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 3kfb n ASN 236 Cb 0.51 0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.90 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 -2.39 3.50 -1.24 0.00 0.00 -1.26 -4.40 121.76 115.97 3kfb s ALA 238 Ca 0.59 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 3kfb s ALA 238 Cb -0.10 -2.90 -0.12 0.00 0.00 0.00 0.00 23.12 20.00 3kfb s ALA 238 CO 0.24 -0.38 3.04 -0.89 0.00 0.00 0.00 175.76 177.77 3kfb n ILE 239 N 4.36 3.91 -4.23 0.00 5.41 -1.03 -4.83 119.36 122.94 3kfb n ILE 239 Ca -0.03 -2.27 -0.11 0.00 1.00 0.00 0.00 62.75 61.34 3kfb n ILE 239 Cb 0.50 -2.45 -0.03 0.00 -0.71 0.00 0.00 39.64 36.95 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 3.39 1.01 -2.48 0.38 1.02 -1.26 -2.15 120.64 120.55 3kfb n GLU 240 Ca 0.69 -1.41 -0.41 0.00 -0.02 0.00 0.00 57.16 56.01 3kfb n GLU 240 Cb 0.36 0.64 -0.04 0.00 -0.02 0.00 0.00 31.44 32.39 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 -2.02 3.65 -0.66 -3.67 -1.09 -1.26 -4.97 121.20 111.17 3kfb s ILE 241 Ca 0.06 1.53 -0.23 0.00 -2.23 0.00 0.00 60.65 59.78 3kfb s ILE 241 Cb 0.00 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 3kfb s ILE 241 CO 0.04 0.31 0.97 -0.54 -1.23 0.00 0.00 174.94 174.49 3kfb s LYS 242 N -0.85 3.11 0.15 2.79 1.02 -1.26 -5.02 119.74 119.68 3kfb s LYS 242 Ca 0.47 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 3kfb s LYS 242 Cb -0.31 -4.23 -0.07 0.00 -0.52 0.00 0.00 37.83 32.70 3kfb s LYS 242 CO 0.38 -1.82 0.97 -1.21 -0.92 0.00 0.00 175.35 172.75 3kfb s GLU 243 N 4.06 4.73 0.53 1.68 2.02 -1.26 -5.03 118.70 125.42 3kfb s GLU 243 Ca 0.22 1.50 -0.20 0.00 0.02 0.00 0.00 54.97 56.50 3kfb s GLU 243 Cb -0.17 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 3kfb s GLU 243 CO 0.10 0.27 1.17 0.95 0.02 0.00 0.00 175.26 177.78 3kfb s THR 244 N -0.33 2.96 0.02 3.63 -4.23 -1.26 -4.98 115.64 111.45 3kfb s THR 244 Ca 0.46 0.64 -0.23 0.00 -1.18 0.00 0.00 61.69 61.38 3kfb s THR 244 Cb -0.25 -3.29 -0.16 0.00 1.34 0.00 0.00 72.50 70.15 3kfb s THR 244 CO 0.31 -0.09 1.35 -0.33 -0.54 0.00 0.00 174.62 175.33 3kfb h GLU 245 N 1.41 0.19 -6.23 3.99 4.39 -2.03 -3.40 114.58 112.90 3kfb h GLU 245 Ca -0.50 -0.09 -0.55 0.00 0.34 0.00 0.00 59.36 58.56 3kfb h GLU 245 Cb 1.27 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 3kfb h GLU 245 CO 0.58 0.58 1.01 0.95 -1.16 0.00 0.00 179.01 180.96 3kfb s THR 246 N -4.46 3.83 0.05 1.13 -4.23 -1.26 -4.90 115.64 105.81 3kfb s THR 246 Ca -0.15 1.02 -0.37 0.00 -1.18 0.00 0.00 61.69 61.01 3kfb s THR 246 Cb 0.04 -3.66 -0.16 0.00 1.34 0.00 0.00 72.50 70.06 3kfb s THR 246 CO 0.71 -0.09 1.41 0.47 -0.54 0.00 0.00 174.62 176.59 3kfb n ASP 247 N 6.86 1.89 -4.21 3.99 10.43 -1.26 -4.98 116.55 129.26 3kfb n ASP 247 Ca 0.16 1.11 -0.23 0.00 2.57 0.00 0.00 54.79 58.40 3kfb n ASP 247 Cb 0.43 -1.21 -0.13 0.00 1.84 0.00 0.00 41.12 42.05 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 0.90 1.50 -0.03 2.24 0.00 -1.26 -5.10 121.76 120.01 3kfb s ALA 248 Ca 0.85 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 3kfb s ALA 248 Cb -0.94 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3kfb s ALA 248 CO 0.48 0.30 0.07 -2.00 0.00 0.00 0.00 175.76 174.61 3kfb s GLU 249 N -1.34 0.08 0.06 0.00 2.12 -1.26 -5.04 118.70 113.32 3kfb s GLU 249 Ca 0.04 0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 3kfb s GLU 249 Cb -0.09 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.29 3kfb s GLU 249 CO 0.02 -0.01 0.35 0.42 -0.54 0.00 0.00 175.26 175.50 3kfb s ILE 250 N 0.01 5.17 -0.16 -3.70 1.01 -1.26 -5.09 121.20 117.18 3kfb s ILE 250 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3kfb s ILE 250 Cb -0.01 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3kfb s ILE 250 CO 0.00 0.29 -0.12 -0.13 0.00 0.00 0.00 174.94 174.98 3kfb s ARG 251 N -1.94 2.14 -0.20 2.79 1.81 -1.26 -5.12 118.95 117.17 3kfb s ARG 251 Ca 0.32 -0.62 -0.07 0.00 -1.72 0.00 0.00 55.73 53.64 3kfb s ARG 251 Cb -0.13 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 3kfb s ARG 251 CO 0.18 -0.30 0.05 0.42 -0.68 0.00 0.00 175.30 174.97 3kfb s ILE 252 N 1.48 4.50 -0.01 1.52 1.09 -1.26 -4.95 121.20 123.58 3kfb s ILE 252 Ca 0.03 -0.13 0.03 0.00 -1.10 0.00 0.00 60.65 59.48 3kfb s ILE 252 Cb -0.14 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 3kfb s ILE 252 CO -0.10 0.42 0.05 0.35 -0.10 0.00 0.00 174.94 175.57 3kfb n THR 253 N 4.02 0.04 -4.01 2.92 -2.24 -1.26 -4.99 114.28 108.76 3kfb n THR 253 Ca -0.16 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 3kfb n THR 253 Cb 0.52 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.57 5.23 0.58 3.42 3.68 -1.26 -5.00 116.67 120.75 3kfb s ASP 254 Ca -0.01 -0.08 0.28 0.00 2.13 0.00 0.00 52.55 54.86 3kfb s ASP 254 Cb 0.02 -1.90 1.70 0.00 -1.45 0.00 0.00 42.92 41.29 3kfb s ASP 254 CO 0.12 0.09 2.20 1.55 0.13 0.00 0.00 175.17 179.27 3kfb h PRO 255 N 7.29 0.00 0.00 4.34 0.13 -2.04 0.62 132.00 142.35 3kfb h PRO 255 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kfb h PRO 255 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kfb h PRO 255 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 3kfb n ALA 256 N -2.36 2.16 1.09 -0.56 0.00 -1.26 -3.19 120.51 116.39 3kfb n ALA 256 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.52 3kfb n ALA 256 Cb 0.15 -1.43 0.58 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.89 0.11 0.34 0.00 4.76 0.21 -4.03 118.16 117.67 3kfb n LYS 257 Ca 0.05 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.31 3kfb n LYS 257 Cb 0.34 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.04 -0.73 -2.45 -0.35 3.38 -1.66 -2.82 115.31 110.73 3kfb h LEU 258 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kfb h LEU 258 Cb 0.46 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3kfb h LEU 258 CO 0.00 -0.45 -0.03 0.24 0.09 0.00 0.00 178.44 178.29 3kfb h MET 259 N -0.98 0.00 0.49 1.13 2.86 -1.81 -2.95 114.93 113.66 3kfb h MET 259 Ca -0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3kfb h MET 259 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3kfb h MET 259 CO 0.15 0.03 -0.23 0.93 1.06 0.00 0.00 176.91 178.84 3kfb h GLU 260 N 0.00 -0.63 -0.25 1.72 5.08 -1.64 -1.01 114.58 117.85 3kfb h GLU 260 Ca -0.00 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3kfb h GLU 260 Cb 0.10 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kfb h GLU 260 CO 0.00 -0.42 -0.41 0.74 -1.00 0.00 0.00 179.01 177.93 3kfb h PHE 261 N -0.67 0.89 -0.42 4.33 -1.00 -1.45 -0.75 116.94 117.87 3kfb h PHE 261 Ca -0.07 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3kfb h PHE 261 Cb 0.51 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 3kfb h PHE 261 CO -0.04 1.08 0.28 0.82 -1.61 0.00 0.00 178.31 178.84 3kfb h ILE 262 N 0.44 1.11 0.00 -0.55 2.04 -1.58 0.49 117.51 119.46 3kfb h ILE 262 Ca 0.02 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3kfb h ILE 262 Cb 1.00 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3kfb h ILE 262 CO 0.09 0.11 -0.36 -0.33 0.00 0.00 0.00 178.15 177.66 3kfb h GLU 263 N 0.57 0.00 0.04 2.37 5.08 -1.06 -1.45 114.58 120.13 3kfb h GLU 263 Ca 0.15 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 3kfb h GLU 263 Cb -0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3kfb h GLU 263 CO -0.03 0.36 -1.07 0.37 -1.00 0.00 0.00 179.01 177.64 3kfb h GLN 264 N 0.00 0.49 -0.40 2.33 5.75 -0.86 -2.24 115.11 120.18 3kfb h GLN 264 Ca -0.00 -0.59 -0.12 0.00 -0.15 0.00 0.00 58.65 57.79 3kfb h GLN 264 Cb 0.77 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 3kfb h GLN 264 CO 0.05 1.22 -0.21 1.49 -2.65 0.00 0.00 178.83 178.73 3kfb h GLU 265 N 0.25 0.85 0.00 1.69 4.81 -0.67 -2.75 114.58 118.76 3kfb h GLU 265 Ca -0.12 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kfb h GLU 265 Cb 1.73 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3kfb h GLU 265 CO 0.19 1.02 0.00 -0.85 -0.73 0.00 0.00 179.01 178.64 3kfb n GLU 266 N -4.22 0.14 0.17 1.92 0.28 -0.57 -1.96 120.64 116.40 3kfb n GLU 266 Ca -0.02 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.11 3kfb n GLU 266 Cb 0.44 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.95 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 -1.12 -2.64 116.57 119.89 3kfb h LYS 267 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3kfb h LYS 267 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kfb h LYS 267 CO 0.00 0.00 -0.44 0.52 -2.27 0.00 0.00 179.45 177.26 3kfb h MET 268 N 0.00 0.00 0.09 1.90 2.86 -1.14 -2.20 114.93 116.43 3kfb h MET 268 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 3kfb h MET 268 Cb 0.96 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3kfb h MET 268 CO 0.00 0.43 -1.32 -0.07 1.06 0.00 0.00 176.91 177.01 3kfb h LEU 269 N 0.00 0.28 -0.95 1.22 4.07 -1.54 -2.85 115.31 115.54 3kfb h LEU 269 Ca -0.01 -0.34 -0.07 0.00 0.08 0.00 0.00 57.88 57.54 3kfb h LEU 269 Cb 1.33 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 3kfb h LEU 269 CO 0.06 1.28 -0.04 0.11 -1.08 0.00 0.00 178.44 178.77 3kfb h LYS 270 N 0.05 0.73 -0.42 1.13 1.57 -1.45 -2.53 116.57 115.66 3kfb h LYS 270 Ca -0.15 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3kfb h LYS 270 Cb 1.94 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 3kfb h LYS 270 CO 0.16 0.76 0.01 -0.44 -0.57 0.00 0.00 179.45 179.38 3kfb h ASP 271 N 0.68 0.71 -0.42 0.86 3.45 -1.44 -1.86 116.42 118.39 3kfb h ASP 271 Ca 0.13 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.25 3kfb h ASP 271 Cb 0.47 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 3kfb h ASP 271 CO 0.02 0.83 0.12 0.24 -1.57 0.00 0.00 179.24 178.88 3kfb h MET 272 N 0.56 0.66 -0.30 3.56 2.86 -1.38 -0.77 114.93 120.12 3kfb h MET 272 Ca 0.12 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3kfb h MET 272 Cb 0.46 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3kfb h MET 272 CO 0.02 0.66 -0.12 0.28 1.06 0.00 0.00 176.91 178.81 3kfb h VAL 273 N 0.53 1.23 0.00 -2.22 2.07 -1.45 -2.59 116.25 113.82 3kfb h VAL 273 Ca 0.13 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3kfb h VAL 273 Cb 0.29 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kfb h VAL 273 CO -0.00 0.34 -0.08 0.00 0.02 0.00 0.00 177.57 177.85 3kfb h ALA 274 N 1.40 0.99 0.00 1.67 0.00 -0.95 -2.41 119.26 119.96 3kfb h ALA 274 Ca 0.09 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3kfb h ALA 274 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kfb h ALA 274 CO 0.03 0.10 -0.58 0.93 0.00 0.00 0.00 179.25 179.72 3kfb h GLU 275 N 0.00 0.00 0.20 0.00 5.08 -0.78 -2.97 114.58 116.11 3kfb h GLU 275 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 3kfb h GLU 275 Cb 0.73 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.01 3kfb h GLU 275 CO 0.01 0.58 -1.37 0.82 -1.00 0.00 0.00 179.01 178.04 3kfb h ILE 276 N 0.00 1.37 0.00 3.13 2.04 -1.20 -3.16 117.51 119.69 3kfb h ILE 276 Ca -0.01 -2.84 -0.01 0.00 1.00 0.00 0.00 64.86 63.00 3kfb h ILE 276 Cb 1.45 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 40.51 3kfb h ILE 276 CO 0.08 0.84 -0.06 0.50 0.00 0.00 0.00 178.15 179.51 3kfb h LYS 277 N 0.12 0.00 0.00 2.37 3.64 -1.51 -2.95 116.57 118.25 3kfb h LYS 277 Ca -0.20 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3kfb h LYS 277 Cb 2.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 3kfb h LYS 277 CO 0.25 0.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.23 3kfb h ALA 278 N 1.94 1.09 0.00 5.00 0.00 -1.48 -2.72 119.26 123.10 3kfb h ALA 278 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kfb h ALA 278 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kfb h ALA 278 CO 0.01 0.32 -0.59 0.66 0.00 0.00 0.00 179.25 179.64 3kfb h SER 279 N 0.00 0.00 0.00 0.00 4.64 -1.61 -3.47 113.55 113.11 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 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3kfb h SER 279 CO 0.03 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3kfb n GLY 280 N 1.21 1.02 3.72 -0.77 0.00 -1.02 -4.59 105.19 104.75 3kfb n GLY 280 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.24 -0.51 4.61 0.00 -1.25 -4.77 121.76 121.08 3kfb s ALA 281 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.41 3kfb s ALA 281 Cb 0.00 -3.19 0.13 0.00 0.00 0.00 0.00 23.12 20.07 3kfb s ALA 281 CO 0.00 -0.15 1.04 0.27 0.00 0.00 0.00 175.76 176.91 3kfb n ASN 282 N 3.71 2.26 -3.77 0.00 6.94 -0.86 -4.68 115.26 118.86 3kfb n ASN 282 Ca 0.03 -1.85 -0.13 0.00 -0.02 0.00 0.00 54.58 52.61 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 -0.89 -0.02 -0.04 3.53 1.01 -1.16 -2.11 120.40 120.71 3kfb s VAL 283 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3kfb s VAL 283 Cb 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.19 3kfb s VAL 283 CO 0.08 0.04 -0.01 -0.22 0.00 0.00 0.00 175.10 174.99 3kfb s LEU 284 N 0.70 1.04 -0.30 3.92 2.96 0.19 -1.28 118.68 125.90 3kfb s LEU 284 Ca -0.05 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3kfb s LEU 284 Cb -0.07 -0.31 0.07 0.00 0.50 0.00 0.00 46.19 46.38 3kfb s LEU 284 CO -0.04 -0.12 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.51 3kfb s PHE 285 N 1.24 3.43 -0.13 5.38 0.40 -0.94 -1.10 117.98 126.26 3kfb s PHE 285 Ca -0.06 -2.41 -0.09 0.00 -0.60 0.00 0.00 56.93 53.76 3kfb s PHE 285 Cb -0.13 -2.36 -0.05 0.00 0.51 0.00 0.00 43.02 40.99 3kfb s PHE 285 CO -0.02 -0.89 0.19 0.00 0.70 0.00 0.00 175.22 175.20 3kfb h GLN 287 N 5.54 0.26 0.00 0.00 4.15 -1.27 -1.58 115.11 122.22 3kfb h GLN 287 Ca -0.50 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 58.47 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 1.17 0.00 1.63 -1.93 0.00 0.00 178.83 180.35 3kfb n LYS 288 N -3.50 2.44 -3.06 1.69 4.76 -1.26 -3.32 118.16 115.91 3kfb n LYS 288 Ca -0.12 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.01 3kfb n LYS 288 Cb 1.03 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 34.18 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 -1.04 2.05 -0.15 0.72 0.00 -1.26 -1.02 107.32 106.61 3kfb s GLY 289 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3kfb s GLY 289 CO 0.00 -0.04 -0.15 -0.42 0.00 0.00 0.00 173.10 172.49 3kfb s ILE 290 N -2.18 2.66 0.62 0.90 1.01 -1.26 -2.47 121.20 120.48 3kfb s ILE 290 Ca 0.50 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 3kfb s ILE 290 Cb -0.10 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3kfb s ILE 290 CO 0.27 0.51 1.22 -0.62 0.00 0.00 0.00 174.94 176.32 3kfb s ASP 291 N 0.82 5.00 0.24 3.58 -1.08 -0.91 -4.83 116.67 119.48 3kfb s ASP 291 Ca -0.05 2.42 -0.05 0.00 -0.52 0.00 0.00 52.55 54.35 3kfb s ASP 291 Cb -0.15 -2.60 0.26 0.00 -1.46 0.00 0.00 42.92 38.97 3kfb s ASP 291 CO -0.00 -1.73 1.77 -0.78 0.52 0.00 0.00 175.17 174.96 3kfb h ASP 292 N 0.70 0.93 -0.63 -0.34 -0.00 -2.00 -2.01 116.42 113.07 3kfb h ASP 292 Ca -0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 56.35 3kfb h ASP 292 Cb 1.30 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 40.36 3kfb h ASP 292 CO 0.54 0.89 0.39 -0.07 -0.00 0.00 0.00 179.24 181.00 3kfb h LEU 293 N 0.94 0.74 -1.39 2.28 3.38 -1.97 -2.84 115.31 116.45 3kfb h LEU 293 Ca 0.20 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kfb h LEU 293 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kfb h LEU 293 CO -0.00 0.56 -0.23 0.00 0.09 0.00 0.00 178.44 178.86 3kfb h ALA 294 N 1.21 1.15 -0.34 1.53 0.00 -1.72 -1.26 119.26 119.82 3kfb h ALA 294 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3kfb h ALA 294 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kfb h ALA 294 CO -0.05 0.29 -0.20 1.96 0.00 0.00 0.00 179.25 181.26 3kfb h GLN 295 N 0.00 0.65 -0.42 0.00 4.20 -1.17 -2.06 115.11 116.30 3kfb h GLN 295 Ca -0.00 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 3kfb h GLN 295 Cb 0.61 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3kfb h GLN 295 CO 0.03 0.80 -0.31 1.25 -0.67 0.00 0.00 178.83 179.93 3kfb h HIS 296 N 0.58 1.12 -0.11 2.96 2.76 -1.11 -2.11 115.15 119.25 3kfb h HIS 296 Ca 0.09 -0.31 -0.19 0.00 -2.20 0.00 0.00 60.37 57.76 3kfb h HIS 296 Cb 0.65 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 3kfb h HIS 296 CO 0.03 1.14 -0.72 1.88 -1.30 0.00 0.00 177.93 178.95 3kfb h TYR 297 N 0.80 0.67 -0.74 5.26 0.05 -1.40 -2.16 116.97 119.45 3kfb h TYR 297 Ca 0.08 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.54 3kfb h TYR 297 Cb 0.90 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3kfb h TYR 297 CO 0.06 1.06 0.34 -0.07 -1.05 0.00 0.00 178.16 178.50 3kfb h LEU 298 N 0.35 0.99 -1.05 3.88 3.38 -1.37 -2.21 115.31 119.28 3kfb h LEU 298 Ca -0.03 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3kfb h LEU 298 Cb 1.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3kfb h LEU 298 CO 0.13 0.86 -0.46 0.00 0.09 0.00 0.00 178.44 179.06 3kfb h ALA 299 N 1.17 1.18 -0.01 1.53 0.00 -1.26 -1.51 119.26 120.36 3kfb h ALA 299 Ca 0.25 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3kfb h ALA 299 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kfb h ALA 299 CO -0.03 0.58 -0.65 -0.22 0.00 0.00 0.00 179.25 178.93 3kfb h LYS 300 N 0.00 0.04 0.00 0.00 3.64 -1.10 -2.93 116.57 116.22 3kfb h LYS 300 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kfb h LYS 300 Cb 0.85 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3kfb h LYS 300 CO 0.06 0.68 -0.20 0.93 -2.27 0.00 0.00 179.45 178.65 3kfb h GLU 301 N 0.03 0.00 0.00 1.90 4.39 -1.11 -3.48 114.58 116.32 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 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 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 1.26 0.81 3.57 -3.84 0.00 -0.95 -5.06 105.19 100.99 3kfb n GLY 302 Ca 0.04 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 4.88 -0.19 -0.61 1.01 -0.61 -4.69 121.20 118.99 3kfb s ILE 303 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 3kfb s ILE 303 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3kfb s ILE 303 CO 0.00 -0.32 1.23 -0.69 0.00 0.00 0.00 174.94 175.16 3kfb s VAL 304 N 2.74 4.33 0.13 2.92 1.01 -0.90 -4.37 120.40 126.27 3kfb s VAL 304 Ca 0.25 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.90 3kfb s VAL 304 Cb -0.14 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3kfb s VAL 304 CO 0.15 -0.18 -0.15 0.00 0.00 0.00 0.00 175.10 174.92 3kfb s ALA 305 N 3.53 1.58 -0.03 5.51 0.00 -1.26 0.53 121.76 131.63 3kfb s ALA 305 Ca 0.53 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3kfb s ALA 305 Cb -0.20 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3kfb s ALA 305 CO 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 175.76 176.03 3kfb s ALA 306 N -2.05 0.31 0.17 0.00 0.00 -0.26 -0.93 121.76 118.99 3kfb s ALA 306 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3kfb s ALA 306 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3kfb s ALA 306 CO 0.04 -0.05 0.31 -0.98 0.00 0.00 0.00 175.76 175.08 3kfb s ARG 307 N 0.90 3.45 -1.08 0.00 1.70 -1.26 -1.38 118.95 121.29 3kfb s ARG 307 Ca -0.09 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 54.40 3kfb s ARG 307 Cb -0.12 -2.93 0.01 0.00 -0.57 0.00 0.00 34.95 31.33 3kfb s ARG 307 CO -0.02 0.49 0.73 0.54 -1.08 0.00 0.00 175.30 175.96 3kfb n ARG 308 N -0.68 -0.99 -3.08 3.89 1.74 -0.19 -4.95 116.66 112.39 3kfb n ARG 308 Ca -0.07 0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 57.09 3kfb n ARG 308 Cb 0.54 -3.47 -0.06 0.00 -1.02 0.00 0.00 32.46 28.46 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 -3.36 4.68 0.41 1.55 1.01 -0.61 -4.99 120.40 119.09 3kfb s VAL 309 Ca 0.37 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.58 3kfb s VAL 309 Cb -0.16 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 3kfb s VAL 309 CO 0.89 0.45 1.19 0.29 0.00 0.00 0.00 175.10 177.93 3kfb n LYS 310 N 2.30 1.76 0.12 2.72 4.76 -1.26 -4.52 118.16 124.03 3kfb n LYS 310 Ca -0.06 0.63 0.14 0.00 -2.87 0.00 0.00 58.31 56.15 3kfb n LYS 310 Cb 0.50 -2.27 0.66 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.94 0.01 0.04 1.97 3.64 -1.95 -1.48 116.57 120.75 3kfb h LYS 311 Ca -0.47 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.69 3kfb h LYS 311 Cb 1.31 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3kfb h LYS 311 CO 0.59 0.01 -1.01 0.66 -2.27 0.00 0.00 179.45 177.43 3kfb h SER 312 N 0.01 0.32 0.73 4.20 4.64 -2.00 -3.03 113.55 118.42 3kfb h SER 312 Ca 0.13 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 3kfb h SER 312 Cb 0.52 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3kfb h SER 312 CO -0.00 1.15 -0.60 0.44 -0.87 0.00 0.00 176.83 176.94 3kfb h ASP 313 N 0.11 0.00 -0.29 4.97 3.32 -1.72 -2.64 116.42 120.17 3kfb h ASP 313 Ca -0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 3kfb h ASP 313 Cb 1.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 3kfb h ASP 313 CO 0.16 0.60 -0.24 0.24 -1.72 0.00 0.00 179.24 178.28 3kfb h MET 314 N 0.00 0.78 0.00 3.56 2.86 -1.27 -1.40 114.93 119.46 3kfb h MET 314 Ca -0.01 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 3kfb h MET 314 Cb 1.13 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3kfb h MET 314 CO 0.08 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 0.11 1.72 5.08 -1.47 -1.90 114.58 118.79 3kfb h GLU 315 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 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 -0.05 0.87 -1.00 0.00 0.00 179.01 179.44 3kfb h LYS 316 N 0.00 -0.14 -0.97 2.33 1.79 -1.28 -2.97 116.57 115.32 3kfb h LYS 316 Ca -0.01 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3kfb h LYS 316 Cb 1.01 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.64 3kfb h LYS 316 CO 0.07 0.18 0.64 -0.07 -1.08 0.00 0.00 179.45 179.20 3kfb h LEU 317 N -0.48 1.11 -1.02 2.94 3.38 -1.23 -1.47 115.31 118.55 3kfb h LEU 317 Ca -0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kfb h LEU 317 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kfb h LEU 317 CO 0.02 0.80 0.16 0.00 0.09 0.00 0.00 178.44 179.52 3kfb h ALA 318 N 1.40 1.21 0.00 1.53 0.00 -1.38 -1.68 119.26 120.33 3kfb h ALA 318 Ca 0.36 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kfb h ALA 318 Cb -0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3kfb h ALA 318 CO -0.08 0.55 -0.78 0.87 0.00 0.00 0.00 179.25 179.81 3kfb h LYS 319 N 0.84 0.00 0.08 0.00 1.57 -1.32 -2.86 116.57 114.89 3kfb h LYS 319 Ca 0.19 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 3kfb h LYS 319 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3kfb h LYS 319 CO -0.01 0.19 -1.44 0.00 -0.57 0.00 0.00 179.45 177.62 3kfb h ALA 320 N 1.74 0.24 0.00 3.86 0.00 -1.02 -1.20 119.26 122.89 3kfb h ALA 320 Ca -0.04 -1.16 -0.25 0.00 0.00 0.00 0.00 54.91 53.46 3kfb h ALA 320 Cb 1.24 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3kfb h ALA 320 CO 0.03 0.86 -1.66 0.25 0.00 0.00 0.00 179.25 178.73 3kfb n THR 321 N -3.99 1.40 -0.47 0.00 -2.24 -0.66 -3.95 114.28 104.39 3kfb n THR 321 Ca -0.28 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 3kfb n THR 321 Cb 0.86 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kfb n THR 321 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kfb n GLY 322 N 1.50 0.77 3.22 3.38 0.00 -1.18 -1.30 105.19 111.58 3kfb n GLY 322 Ca -0.15 -0.12 -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 -0.37 0.71 -2.63 4.61 0.00 -1.09 -3.90 120.51 117.85 3kfb n ALA 323 Ca 0.00 -1.87 -0.22 0.00 0.00 0.00 0.00 53.44 51.35 3kfb n ALA 323 Cb 0.10 0.77 -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 -3.73 1.55 -0.58 0.00 0.01 -1.06 -4.78 114.94 106.36 3kfb s ASN 324 Ca 0.26 -0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 51.91 3kfb s ASN 324 Cb -0.02 -0.20 0.04 0.00 0.41 0.00 0.00 41.25 41.48 3kfb s ASN 324 CO 0.17 0.16 1.08 -0.69 -1.51 0.00 0.00 177.10 176.30 3kfb s VAL 325 N -0.26 4.18 -0.23 1.60 1.01 -1.26 -4.17 120.40 121.27 3kfb s VAL 325 Ca 0.04 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 3kfb s VAL 325 Cb -0.06 -4.65 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 3kfb s VAL 325 CO -0.00 -1.27 0.14 -0.63 0.00 0.00 0.00 175.10 173.34 3kfb s ILE 326 N 4.52 5.26 -2.46 2.22 -1.09 -0.82 -4.83 121.20 123.99 3kfb s ILE 326 Ca 0.36 0.14 0.25 0.00 -2.23 0.00 0.00 60.65 59.17 3kfb s ILE 326 Cb -0.10 -3.43 0.25 0.00 -1.58 0.00 0.00 42.46 37.59 3kfb s ILE 326 CO 0.22 0.37 1.39 0.41 -1.23 0.00 0.00 174.94 176.10 3kfb n THR 327 N 4.10 0.00 -3.85 2.92 -1.04 -1.26 -1.08 114.28 114.07 3kfb n THR 327 Ca -0.15 -0.32 -0.28 0.00 -2.04 0.00 0.00 64.05 61.25 3kfb n THR 327 Cb 0.52 1.02 -0.16 0.00 -1.82 0.00 0.00 70.33 69.89 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 -2.19 3.12 0.53 8.00 2.47 -1.26 -4.30 114.94 121.31 3kfb s ASN 328 Ca 0.28 -0.85 0.34 0.00 0.42 0.00 0.00 52.86 53.05 3kfb s ASN 328 Cb 0.20 -0.86 1.56 0.00 -1.45 0.00 0.00 41.25 40.70 3kfb s ASN 328 CO 0.41 -0.24 2.03 -0.29 -3.72 0.00 0.00 177.10 175.28 3kfb h ILE 329 N 6.51 0.00 0.00 -5.21 2.10 -1.98 -2.01 117.51 116.92 3kfb h ILE 329 Ca -0.19 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.33 3kfb h ILE 329 Cb 1.10 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 3kfb h ILE 329 CO 0.38 0.00 -0.40 0.11 -1.08 0.00 0.00 178.15 177.16 3kfb h LYS 330 N 0.00 0.00 -0.48 2.19 1.79 -1.97 -3.18 116.57 114.92 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 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3kfb h LYS 330 CO 0.00 0.40 0.00 -3.47 -1.08 0.00 0.00 179.45 175.30 3kfb n ASP 331 N -3.44 4.68 -4.55 0.86 2.03 -0.76 -4.89 116.55 110.48 3kfb n ASP 331 Ca 0.00 -2.75 -0.37 0.00 0.52 0.00 0.00 54.79 52.20 3kfb n ASP 331 Cb 0.56 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.38 3.25 0.75 -2.67 2.96 -1.20 -4.97 118.68 114.42 3kfb s LEU 332 Ca 0.47 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 54.10 3kfb s LEU 332 Cb 0.35 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.54 3kfb s LEU 332 CO 0.16 -2.28 1.13 -0.55 -1.32 0.00 0.00 176.35 173.50 3kfb s SER 333 N 6.97 5.00 0.29 3.68 0.15 -1.26 -4.76 113.70 123.77 3kfb s SER 333 Ca 0.60 0.98 0.26 0.00 0.70 0.00 0.00 55.95 58.48 3kfb s SER 333 Cb -0.09 -1.63 0.78 0.00 -1.71 0.00 0.00 66.02 63.36 3kfb s SER 333 CO 0.13 -1.61 1.75 0.00 1.20 0.00 0.00 173.24 174.70 3kfb h ALA 334 N -0.85 1.00 -0.01 5.45 0.00 -1.91 -3.20 119.26 119.76 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 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kfb h ALA 334 CO 0.65 0.00 -0.21 1.04 0.00 0.00 0.00 179.25 180.73 3kfb n GLN 335 N -2.49 0.80 -0.41 0.00 3.00 -1.26 -3.81 117.38 113.21 3kfb n GLN 335 Ca 0.04 -0.42 0.07 0.00 -0.01 0.00 0.00 57.00 56.68 3kfb n GLN 335 Cb 0.41 -1.49 0.24 0.00 0.00 0.00 0.00 30.24 29.40 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 -0.73 3.34 -4.88 1.08 10.43 -1.21 -4.90 116.55 119.68 3kfb n ASP 336 Ca 0.13 -2.27 -0.35 0.00 2.57 0.00 0.00 54.79 54.87 3kfb n ASP 336 Cb 0.33 -0.46 -0.05 0.00 1.84 0.00 0.00 41.12 42.77 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 -1.37 4.38 0.66 0.64 1.43 -1.25 -2.56 118.68 120.61 3kfb s LEU 337 Ca 0.35 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 3kfb s LEU 337 Cb 0.22 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.96 3kfb s LEU 337 CO 0.18 0.29 0.92 -0.83 0.23 0.00 0.00 176.35 177.13 3kfb s GLY 338 N -1.53 1.78 -0.06 -3.19 0.00 0.14 -4.58 107.32 99.87 3kfb s GLY 338 Ca 0.25 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.55 3kfb s GLY 338 CO 0.14 -0.97 0.05 -0.35 0.00 0.00 0.00 173.10 171.97 3kfb s ASP 339 N -4.58 1.39 0.02 1.64 2.15 -0.42 -1.02 116.67 115.85 3kfb s ASP 339 Ca 0.62 -0.04 0.04 0.00 0.43 0.00 0.00 52.55 53.59 3kfb s ASP 339 Cb -0.08 -0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 42.30 3kfb s ASP 339 CO 0.42 -0.25 -0.11 0.00 -0.17 0.00 0.00 175.17 175.06 3kfb s ALA 340 N 2.12 0.93 -0.09 3.66 0.00 -1.16 -4.24 121.76 122.98 3kfb s ALA 340 Ca 0.05 -0.63 0.27 0.00 0.00 0.00 0.00 51.96 51.64 3kfb s ALA 340 Cb -0.13 -0.16 0.85 0.00 0.00 0.00 0.00 23.12 23.68 3kfb s ALA 340 CO -0.04 0.18 1.79 0.78 0.00 0.00 0.00 175.76 178.47 3kfb h GLY 341 N 5.32 0.00 -5.52 0.00 0.00 -1.09 -2.12 103.07 99.65 3kfb h GLY 341 Ca -0.35 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3kfb h GLY 341 CO 0.46 0.00 -0.23 -2.27 0.00 0.00 0.00 176.54 174.50 3kfb s LEU 342 N -6.32 -0.36 -0.17 3.11 0.20 -0.87 -1.78 118.68 112.49 3kfb s LEU 342 Ca 0.03 1.05 0.00 0.00 0.69 0.00 0.00 54.13 55.91 3kfb s LEU 342 Cb 0.08 1.59 0.03 0.00 -0.43 0.00 0.00 46.19 47.46 3kfb s LEU 342 CO 0.62 -0.21 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.67 3kfb s VAL 343 N 1.62 1.48 -0.00 1.68 1.01 -0.67 -0.91 120.40 124.60 3kfb s VAL 343 Ca -0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3kfb s VAL 343 Cb -0.08 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 3kfb s VAL 343 CO -0.14 0.28 0.02 -0.70 0.00 0.00 0.00 175.10 174.56 3kfb s GLU 344 N 1.49 0.16 -0.49 2.72 2.12 -0.44 -1.12 118.70 123.15 3kfb s GLU 344 Ca 0.02 -0.20 -0.18 0.00 0.36 0.00 0.00 54.97 54.97 3kfb s GLU 344 Cb -0.14 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.37 3kfb s GLU 344 CO -0.09 -0.03 0.54 -2.00 -0.54 0.00 0.00 175.26 173.14 3kfb s GLU 345 N -0.56 3.07 0.32 4.30 2.12 -0.67 0.23 118.70 127.50 3kfb s GLU 345 Ca -0.06 -1.07 0.07 0.00 0.36 0.00 0.00 54.97 54.26 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 -1.15 0.35 1.03 -0.54 0.00 0.00 175.26 174.95 3kfb s ARG 346 N 2.25 2.93 -0.75 4.30 0.52 -0.64 -4.92 118.95 122.64 3kfb s ARG 346 Ca 0.11 -1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 54.15 3kfb s ARG 346 Cb -0.21 -2.64 0.19 0.00 0.52 0.00 0.00 34.95 32.81 3kfb s ARG 346 CO 0.10 0.13 0.60 0.15 0.02 0.00 0.00 175.30 176.30 3kfb s LYS 347 N -4.05 2.94 -0.22 3.54 1.02 -1.26 -1.32 119.74 120.39 3kfb s LYS 347 Ca 0.41 -2.81 -0.13 0.00 0.02 0.00 0.00 55.97 53.46 3kfb s LYS 347 Cb -0.08 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3kfb s LYS 347 CO 0.28 -1.22 0.28 -1.50 -0.92 0.00 0.00 175.35 172.28 3kfb s ILE 348 N -0.54 5.28 -1.26 2.17 1.10 -0.81 -4.43 121.20 122.70 3kfb s ILE 348 Ca 0.21 0.45 -0.01 0.00 -0.51 0.00 0.00 60.65 60.79 3kfb s ILE 348 Cb -0.14 -3.62 0.00 0.00 0.15 0.00 0.00 42.46 38.85 3kfb s ILE 348 CO -0.07 0.30 0.89 -0.24 -2.11 0.00 0.00 174.94 173.70 3kfb n SER 349 N 4.39 -1.94 0.00 4.50 2.88 -1.26 -3.34 113.62 118.86 3kfb n SER 349 Ca -0.12 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 3kfb n SER 349 Cb 0.52 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.31 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 -1.36 1.82 3.78 0.46 0.00 -1.26 -4.93 105.19 103.70 3kfb n GLY 350 Ca -0.27 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 6.63 -0.20 1.61 1.01 -1.21 -4.94 116.67 119.57 3kfb s ASP 351 Ca 0.00 2.05 -0.08 0.00 0.71 0.00 0.00 52.55 55.22 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 -0.58 0.09 -0.94 0.21 0.00 0.00 175.17 173.95 3kfb s SER 352 N -1.62 5.74 0.17 0.27 1.04 -1.26 -1.93 113.70 116.12 3kfb s SER 352 Ca 0.60 0.07 0.02 0.00 0.48 0.00 0.00 55.95 57.12 3kfb s SER 352 Cb -0.22 -2.00 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 3kfb s SER 352 CO 0.27 0.13 0.01 -0.04 0.98 0.00 0.00 173.24 174.59 3kfb s MET 353 N 0.63 1.11 -0.35 4.02 -1.94 -0.44 -4.61 119.30 117.73 3kfb s MET 353 Ca 0.05 -1.54 -0.16 0.00 -1.71 0.00 0.00 55.69 52.33 3kfb s MET 353 Cb -0.13 -0.23 -0.01 0.00 2.01 0.00 0.00 34.83 36.48 3kfb s MET 353 CO 0.01 -0.15 0.38 0.42 -0.01 0.00 0.00 175.02 175.67 3kfb s ILE 354 N -3.69 5.15 -0.47 2.53 1.01 -0.91 -1.62 121.20 123.20 3kfb s ILE 354 Ca 0.25 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 3kfb s ILE 354 Cb 0.06 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3kfb s ILE 354 CO 0.04 -0.14 0.70 -0.36 0.00 0.00 0.00 174.94 175.19 3kfb s PHE 355 N 2.05 3.01 -0.80 3.97 0.40 0.13 -1.94 117.98 124.79 3kfb s PHE 355 Ca 0.12 -0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.19 3kfb s PHE 355 Cb -0.17 -3.54 0.20 0.00 0.51 0.00 0.00 43.02 40.03 3kfb s PHE 355 CO 0.12 -0.99 0.77 0.08 0.70 0.00 0.00 175.22 175.90 3kfb s VAL 356 N 3.01 5.49 0.42 -0.44 1.01 -0.84 -1.32 120.40 127.73 3kfb s VAL 356 Ca 0.23 -2.28 0.02 0.00 0.00 0.00 0.00 61.98 59.95 3kfb s VAL 356 Cb -0.15 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 3kfb s VAL 356 CO 0.18 -1.05 0.09 -1.84 0.00 0.00 0.00 175.10 172.47 3kfb n GLU 357 N 4.34 0.69 -3.63 2.72 0.28 -0.09 -1.31 120.64 123.65 3kfb n GLU 357 Ca 0.12 -3.31 -0.20 0.00 -0.16 0.00 0.00 57.16 53.60 3kfb n GLU 357 Cb 0.46 1.46 0.05 0.00 1.43 0.00 0.00 31.44 34.84 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 -0.98 -5.39 -2.36 3.44 1.02 -1.14 -2.05 120.64 113.18 3kfb n GLU 358 Ca -0.11 0.68 -0.29 0.00 -0.02 0.00 0.00 57.16 57.42 3kfb n GLU 358 Cb 0.58 -5.37 -0.00 0.00 -0.02 0.00 0.00 31.44 26.63 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 0.16 -0.05 -2.94 0.00 1.79 -1.86 -3.43 116.57 110.24 3kfb h LYS 360 Ca -0.46 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.40 3kfb h LYS 360 Cb 1.20 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 31.45 3kfb h LYS 360 CO 0.62 -0.03 -0.70 -1.58 -1.08 0.00 0.00 179.45 176.68 3kfb s HIS 361 N -1.56 2.72 0.10 -1.35 2.46 -1.26 -5.10 115.29 111.30 3kfb s HIS 361 Ca -0.01 -2.95 -0.28 0.00 0.47 0.00 0.00 55.06 52.30 3kfb s HIS 361 Cb 0.00 -2.18 -0.06 0.00 -0.13 0.00 0.00 32.58 30.21 3kfb s HIS 361 CO 0.02 -0.67 0.88 -2.14 -2.47 0.00 0.00 174.74 170.36 3kfb s PRO 362 N -0.71 4.63 0.00 2.88 0.02 -1.25 -4.84 135.00 135.73 3kfb s PRO 362 Ca 0.25 1.30 0.16 0.00 0.02 0.00 0.00 61.00 62.72 3kfb s PRO 362 Cb -0.08 -3.35 0.04 0.00 0.02 0.00 0.00 34.50 31.13 3kfb s PRO 362 CO -0.13 0.30 0.90 1.63 -0.33 0.00 0.00 177.00 179.36 3kfb n LYS 363 N 2.58 1.57 -4.49 5.54 4.76 -0.45 -4.63 118.16 123.03 3kfb n LYS 363 Ca -0.00 -1.02 -0.23 0.00 -2.87 0.00 0.00 58.31 54.19 3kfb n LYS 363 Cb 0.49 -1.28 -0.14 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.70 1.42 -0.03 7.82 0.00 -1.25 -4.61 121.76 123.43 3kfb s ALA 364 Ca 0.15 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 3kfb s ALA 364 Cb 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3kfb s ALA 364 CO 0.33 0.30 0.11 0.08 0.00 0.00 0.00 175.76 176.58 3kfb s VAL 365 N -0.80 0.03 -0.15 0.00 1.01 -0.80 -4.36 120.40 115.33 3kfb s VAL 365 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3kfb s VAL 365 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3kfb s VAL 365 CO 0.01 -0.14 -0.02 -0.89 0.00 0.00 0.00 175.10 174.07 3kfb s THR 366 N -0.44 4.10 -0.40 3.92 2.01 -0.74 0.20 115.64 124.30 3kfb s THR 366 Ca -0.05 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 3kfb s THR 366 Cb -0.03 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.72 3kfb s THR 366 CO 0.00 0.50 0.25 -0.04 -0.69 0.00 0.00 174.62 174.65 3kfb s MET 367 N 0.20 2.81 -0.70 4.92 -1.94 0.13 -0.52 119.30 124.21 3kfb s MET 367 Ca -0.01 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 52.57 3kfb s MET 367 Cb -0.13 -3.82 0.08 0.00 2.01 0.00 0.00 34.83 32.96 3kfb s MET 367 CO 0.02 -0.80 0.98 -1.17 -0.01 0.00 0.00 175.02 174.05 3kfb s LEU 368 N 1.56 4.54 -0.31 -0.03 2.96 -0.70 -1.26 118.68 125.44 3kfb s LEU 368 Ca 0.03 -1.19 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 3kfb s LEU 368 Cb -0.21 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 3kfb s LEU 368 CO 0.06 -1.36 0.61 -0.63 -1.32 0.00 0.00 176.35 173.70 3kfb s ILE 369 N 3.78 4.95 0.16 6.68 1.01 0.47 -2.07 121.20 136.18 3kfb s ILE 369 Ca 0.23 0.78 0.11 0.00 0.00 0.00 0.00 60.65 61.77 3kfb s ILE 369 Cb -0.15 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3kfb s ILE 369 CO 0.06 -0.14 -0.24 -0.13 0.00 0.00 0.00 174.94 174.50 3kfb s ARG 370 N 2.56 1.53 0.10 2.79 0.52 -1.26 -2.77 118.95 122.43 3kfb s ARG 370 Ca 0.24 -1.41 -0.26 0.00 -0.52 0.00 0.00 55.73 53.78 3kfb s ARG 370 Cb -0.15 -1.91 0.09 0.00 0.52 0.00 0.00 34.95 33.49 3kfb s ARG 370 CO 0.12 0.43 1.09 0.20 0.02 0.00 0.00 175.30 177.16 3kfb s GLY 371 N -2.40 -0.21 0.09 -3.53 0.00 -1.24 -1.33 107.32 98.71 3kfb s GLY 371 Ca 0.18 0.19 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 3kfb s GLY 371 CO 0.09 0.89 1.32 -0.91 0.00 0.00 0.00 173.10 174.49 3kfb h THR 372 N 2.00 1.30 -2.91 0.90 1.35 -1.87 -3.26 112.91 110.41 3kfb h THR 372 Ca -0.27 -1.81 -0.61 0.00 -0.55 0.00 0.00 66.41 63.17 3kfb h THR 372 Cb 1.22 1.91 -0.17 0.00 -1.73 0.00 0.00 68.15 69.37 3kfb h THR 372 CO 0.29 0.57 -0.80 0.42 -0.25 0.00 0.00 175.52 175.75 3kfb s THR 373 N -3.90 2.29 0.41 6.82 -4.23 -1.26 -4.74 115.64 111.03 3kfb s THR 373 Ca -0.11 -2.13 0.10 0.00 -1.18 0.00 0.00 61.69 58.37 3kfb s THR 373 Cb 0.08 -2.13 0.19 0.00 1.34 0.00 0.00 72.50 71.98 3kfb s THR 373 CO 0.87 -0.25 1.97 -0.08 -0.54 0.00 0.00 174.62 176.59 3kfb h GLU 374 N 2.92 0.24 0.00 3.99 4.57 -1.99 -1.90 114.58 122.40 3kfb h GLU 374 Ca -0.44 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 3kfb h GLU 374 Cb 1.22 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 3kfb h GLU 374 CO 0.52 0.32 -0.55 0.45 -1.18 0.00 0.00 179.01 178.57 3kfb h HIS 375 N 0.24 0.00 -0.14 0.92 3.86 -1.97 -1.34 115.15 116.70 3kfb h HIS 375 Ca 0.05 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 3kfb h HIS 375 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3kfb h HIS 375 CO 0.00 0.55 -0.35 0.28 0.86 0.00 0.00 177.93 179.27 3kfb h VAL 376 N 0.00 1.36 -0.24 2.45 2.07 -1.84 -3.05 116.25 117.00 3kfb h VAL 376 Ca -0.01 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.91 3kfb h VAL 376 Cb 1.21 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3kfb h VAL 376 CO 0.07 0.49 0.09 0.40 0.02 0.00 0.00 177.57 178.64 3kfb h ILE 377 N 0.11 0.95 0.00 4.57 2.04 -1.30 -2.31 117.51 121.57 3kfb h ILE 377 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kfb h ILE 377 Cb 0.96 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3kfb h ILE 377 CO 0.08 0.04 -0.13 -0.08 0.00 0.00 0.00 178.15 178.06 3kfb h GLU 378 N 0.21 0.00 0.12 2.37 4.81 -1.28 -0.99 114.58 119.82 3kfb h GLU 378 Ca 0.11 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.05 3kfb h GLU 378 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kfb h GLU 378 CO -0.10 0.13 -1.38 1.49 -0.73 0.00 0.00 179.01 178.42 3kfb h GLU 379 N 0.00 0.25 -0.10 1.92 4.57 -1.39 -2.76 114.58 117.08 3kfb h GLU 379 Ca -0.00 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.69 3kfb h GLU 379 Cb 0.25 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3kfb h GLU 379 CO 0.02 1.16 -0.20 0.28 -1.18 0.00 0.00 179.01 179.08 3kfb h VAL 380 N 0.07 1.20 -0.46 0.32 2.07 -1.05 -2.08 116.25 116.31 3kfb h VAL 380 Ca -0.19 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 3kfb h VAL 380 Cb 1.99 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3kfb h VAL 380 CO 0.18 0.27 -0.11 0.00 0.02 0.00 0.00 177.57 177.93 3kfb h ALA 381 N 1.65 0.94 0.00 1.67 0.00 -1.17 -2.44 119.26 119.91 3kfb h ALA 381 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3kfb h ALA 381 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kfb h ALA 381 CO 0.03 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.57 3kfb h ARG 382 N 0.75 0.00 0.00 0.00 3.08 -1.14 -2.36 114.38 114.70 3kfb h ARG 382 Ca 0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 3kfb h ARG 382 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3kfb h ARG 382 CO 0.04 0.33 -0.33 0.00 -1.07 0.00 0.00 179.97 178.94 3kfb h ALA 383 N 1.67 0.88 0.05 0.04 0.00 -0.96 -3.04 119.26 117.90 3kfb h ALA 383 Ca -0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 3kfb h ALA 383 Cb 0.80 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3kfb h ALA 383 CO 0.04 0.41 -1.56 0.28 0.00 0.00 0.00 179.25 178.42 3kfb h VAL 384 N 0.00 1.08 -0.20 0.00 2.07 -1.25 -2.69 116.25 115.26 3kfb h VAL 384 Ca -0.00 -2.82 -0.05 0.00 0.82 0.00 0.00 66.70 64.64 3kfb h VAL 384 Cb 1.03 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 3kfb h VAL 384 CO 0.04 0.72 -0.11 0.44 0.02 0.00 0.00 177.57 178.69 3kfb h ASP 385 N 0.03 0.29 -0.00 0.57 3.32 -1.43 0.14 116.42 119.34 3kfb h ASP 385 Ca -0.24 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 3kfb h ASP 385 Cb 1.97 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 41.46 3kfb h ASP 385 CO 0.12 0.44 -0.61 0.44 -1.72 0.00 0.00 179.24 177.90 3kfb h ASP 386 N 0.29 0.54 -0.39 6.45 5.19 -1.61 -2.39 116.42 124.50 3kfb h ASP 386 Ca 0.06 -0.76 -0.05 0.00 -0.62 0.00 0.00 57.03 55.66 3kfb h ASP 386 Cb 0.38 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3kfb h ASP 386 CO 0.02 1.23 0.08 0.00 -3.12 0.00 0.00 179.24 177.45 3kfb h ALA 387 N 0.32 1.27 -0.20 3.45 0.00 -1.12 -2.16 119.26 120.83 3kfb h ALA 387 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3kfb h ALA 387 Cb 1.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kfb h ALA 387 CO 0.12 0.50 -0.50 0.28 0.00 0.00 0.00 179.25 179.65 3kfb h VAL 388 N 0.69 1.31 -0.36 0.00 2.07 -0.79 -2.65 116.25 116.52 3kfb h VAL 388 Ca 0.15 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 3kfb h VAL 388 Cb 0.31 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3kfb h VAL 388 CO 0.00 0.54 0.21 1.23 0.02 0.00 0.00 177.57 179.57 3kfb h GLY 389 N 1.06 0.53 1.70 2.17 0.00 -0.91 -2.20 103.07 105.43 3kfb h GLY 389 Ca 0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 3kfb h GLY 389 CO 0.10 0.22 -0.76 -0.39 0.00 0.00 0.00 176.54 175.71 3kfb h VAL 390 N 0.46 1.42 -0.29 4.60 -1.51 -1.41 -2.15 116.25 117.37 3kfb h VAL 390 Ca 0.13 -2.28 -0.15 0.00 -1.23 0.00 0.00 66.70 63.17 3kfb h VAL 390 Cb 0.03 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3kfb h VAL 390 CO -0.02 0.67 -0.41 0.58 -1.23 0.00 0.00 177.57 177.16 3kfb h VAL 391 N 0.19 1.29 -0.37 7.19 2.07 -1.51 -2.44 116.25 122.66 3kfb h VAL 391 Ca -0.03 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 3kfb h VAL 391 Cb 1.34 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3kfb h VAL 391 CO 0.12 0.51 -0.07 1.23 0.02 0.00 0.00 177.57 179.38 3kfb h GLY 392 N 0.94 0.66 2.00 2.17 0.00 -1.33 -2.18 103.07 105.33 3kfb h GLY 392 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3kfb h GLY 392 CO 0.09 0.42 -0.43 0.00 0.00 0.00 0.00 176.54 176.61 3kfb h THR 394 N 0.00 1.34 -0.51 0.00 2.02 -1.10 -1.09 112.91 113.56 3kfb h THR 394 Ca -0.00 -3.01 -0.04 0.00 0.77 0.00 0.00 66.41 64.12 3kfb h THR 394 Cb 0.83 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 3kfb h THR 394 CO 0.06 0.84 0.16 0.40 0.37 0.00 0.00 175.52 177.34 3kfb h ILE 395 N 0.04 1.23 0.15 3.11 2.04 -1.37 -0.86 117.51 121.85 3kfb h ILE 395 Ca -0.16 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kfb h ILE 395 Cb 1.94 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3kfb h ILE 395 CO 0.15 0.28 -0.07 -0.33 0.00 0.00 0.00 178.15 178.18 3kfb h GLU 396 N 0.70 -0.20 0.01 2.37 5.08 -1.48 -3.40 114.58 117.66 3kfb h GLU 396 Ca 0.16 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kfb h GLU 396 Cb 0.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3kfb h GLU 396 CO -0.01 0.24 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.80 3kfb h ASP 397 N -0.85 -0.01 -0.06 1.42 3.45 -1.30 -3.48 116.42 115.59 3kfb h ASP 397 Ca -0.02 -0.69 -0.03 0.00 0.43 0.00 0.00 57.03 56.73 3kfb h ASP 397 Cb 0.53 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3kfb h ASP 397 CO 0.03 0.69 -0.02 0.61 -1.57 0.00 0.00 179.24 178.98 3kfb n GLY 398 N 0.80 0.51 3.03 2.75 0.00 -0.33 -5.02 105.19 106.93 3kfb n GLY 398 Ca -0.09 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.25 1.45 0.19 1.61 0.52 -1.26 -0.57 118.95 119.64 3kfb s ARG 399 Ca 0.00 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 3kfb s ARG 399 Cb 0.00 -1.26 -0.05 0.00 0.52 0.00 0.00 34.95 34.17 3kfb s ARG 399 CO 0.00 0.08 -0.10 0.96 0.02 0.00 0.00 175.30 176.27 3kfb s ILE 400 N 0.44 1.38 0.22 1.52 -4.36 -0.52 -0.87 121.20 119.01 3kfb s ILE 400 Ca -0.09 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.23 3kfb s ILE 400 Cb -0.13 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.49 3kfb s ILE 400 CO 0.02 -0.60 -0.04 0.68 0.24 0.00 0.00 174.94 175.24 3kfb s VAL 401 N -3.19 1.23 0.34 8.37 -7.23 0.15 -0.72 120.40 119.35 3kfb s VAL 401 Ca 0.21 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 3kfb s VAL 401 Cb 0.02 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 3kfb s VAL 401 CO 0.05 -0.42 0.87 -0.94 -0.31 0.00 0.00 175.10 174.34 3kfb s SER 402 N -3.31 7.07 0.00 4.85 1.04 -1.26 -0.45 113.70 121.65 3kfb s SER 402 Ca 0.26 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3kfb s SER 402 Cb 0.04 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3kfb s SER 402 CO 0.08 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.75 3kfb n GLY 403 N 0.09 1.90 2.25 7.32 0.00 -0.18 -3.66 105.19 112.91 3kfb n GLY 403 Ca 0.03 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 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 2.33 -0.02 0.00 -1.26 -2.29 105.19 108.85 3kfb n GLY 404 Ca 0.00 -0.38 -0.08 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 -1.04 0.99 0.08 -0.02 0.00 -1.26 -3.14 105.19 100.80 3kfb n GLY 405 Ca -0.13 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 0.10 0.34 1.61 0.87 -1.65 -3.01 113.55 111.81 3kfb h SER 406 Ca -0.17 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 3kfb h SER 406 Cb 0.63 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3kfb h SER 406 CO 0.25 0.79 0.00 0.35 -0.53 0.00 0.00 176.83 177.68 3kfb n THR 407 N -4.66 0.16 0.06 2.23 -2.24 -1.24 -2.34 114.28 106.25 3kfb n THR 407 Ca -0.09 0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 3kfb n THR 407 Cb 0.40 -0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.36 -0.17 -0.78 3.07 -1.89 -2.54 114.58 112.62 3kfb h GLU 408 Ca 0.00 -0.61 -0.02 0.00 -0.50 0.00 0.00 59.36 58.23 3kfb h GLU 408 Cb 0.17 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3kfb h GLU 408 CO 0.00 1.29 0.04 0.28 -1.40 0.00 0.00 179.01 179.22 3kfb h VAL 409 N -0.10 1.20 -0.44 3.13 2.07 -1.38 0.44 116.25 121.17 3kfb h VAL 409 Ca -0.29 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3kfb h VAL 409 Cb 1.93 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 3kfb h VAL 409 CO 0.15 0.20 0.28 -0.08 0.02 0.00 0.00 177.57 178.14 3kfb h GLU 410 N 0.09 0.59 -0.13 1.57 4.57 -1.62 -1.23 114.58 118.42 3kfb h GLU 410 Ca 0.05 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 3kfb h GLU 410 Cb 0.27 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3kfb h GLU 410 CO 0.00 0.42 -0.21 1.25 -1.18 0.00 0.00 179.01 179.28 3kfb h LEU 411 N 0.59 0.22 0.08 1.64 5.85 -1.36 -2.78 115.31 119.54 3kfb h LEU 411 Ca 0.16 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kfb h LEU 411 Cb -0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kfb h LEU 411 CO -0.03 0.45 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.20 3kfb h SER 412 N 0.21 -0.09 0.62 1.25 0.87 0.43 -2.64 113.55 114.19 3kfb h SER 412 Ca 0.04 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 3kfb h SER 412 Cb 0.50 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3kfb h SER 412 CO 0.03 0.25 -0.31 0.00 -0.53 0.00 0.00 176.83 176.27 3kfb h MET 413 N -0.44 0.00 0.00 2.24 -0.00 -1.23 -2.55 114.93 112.95 3kfb h MET 413 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.52 3kfb h MET 413 Cb 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.95 3kfb h MET 413 CO 0.02 0.31 -0.80 0.87 -0.00 0.00 0.00 176.91 177.31 3kfb h LYS 414 N 0.00 0.00 0.00 -0.10 1.79 -1.52 -3.10 116.57 113.64 3kfb h LYS 414 Ca -0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3kfb h LYS 414 Cb 0.70 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 3kfb h LYS 414 CO 0.04 0.80 -0.53 -0.07 -1.08 0.00 0.00 179.45 178.61 3kfb h LEU 415 N 0.00 0.00 -0.44 2.94 3.38 -1.18 -2.73 115.31 117.27 3kfb h LEU 415 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3kfb h LEU 415 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3kfb h LEU 415 CO 0.10 0.53 -0.76 0.03 0.09 0.00 0.00 178.44 178.43 3kfb h ARG 416 N 0.00 0.19 0.00 1.13 3.08 -1.44 -1.05 114.38 116.29 3kfb h ARG 416 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3kfb h ARG 416 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3kfb h ARG 416 CO 0.07 0.86 -0.53 -0.85 -1.07 0.00 0.00 179.97 178.45 3kfb n GLU 417 N -3.74 0.24 0.08 0.04 0.28 -1.18 -2.99 120.64 113.38 3kfb n GLU 417 Ca -0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 57.16 57.01 3kfb n GLU 417 Cb 0.73 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.84 3kfb n GLU 417 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3kfb h TYR 418 N 0.00 0.00 -0.11 -1.84 3.20 -1.29 -3.29 116.97 113.64 3kfb h TYR 418 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 3kfb h TYR 418 Cb 0.71 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3kfb h TYR 418 CO 0.00 0.90 -0.49 0.00 -1.64 0.00 0.00 178.16 176.93 3kfb h ALA 419 N 1.10 0.96 0.00 1.82 0.00 -1.09 -2.97 119.26 119.08 3kfb h ALA 419 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3kfb h ALA 419 Cb 1.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3kfb h ALA 419 CO 0.12 0.65 -0.06 0.93 0.00 0.00 0.00 179.25 180.89 3kfb h GLU 420 N 0.23 0.00 -0.84 0.00 5.08 -1.61 -1.70 114.58 115.74 3kfb h GLU 420 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3kfb h GLU 420 Cb 0.95 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3kfb h GLU 420 CO 0.08 0.06 0.09 0.41 -1.00 0.00 0.00 179.01 178.64 3kfb n GLY 421 N -1.01 2.53 3.00 -3.84 0.00 -1.12 -4.79 105.19 99.96 3kfb n GLY 421 Ca -0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 1.42 0.08 -0.61 1.01 -0.64 -5.11 121.20 115.49 3kfb s ILE 422 Ca 0.28 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 3kfb s ILE 422 Cb 0.22 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3kfb s ILE 422 CO 0.08 0.43 0.34 -0.94 0.00 0.00 0.00 174.94 174.85 3kfb s SER 423 N 1.38 6.53 0.00 3.58 1.04 -1.26 -4.69 113.70 120.29 3kfb s SER 423 Ca 0.01 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.07 3kfb s SER 423 Cb -0.13 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3kfb s SER 423 CO -0.07 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.91 3kfb n GLY 424 N 0.66 1.08 0.06 7.32 0.00 -1.26 -4.70 105.19 108.34 3kfb n GLY 424 Ca -0.07 -2.19 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 -0.28 0.18 0.29 1.61 0.63 -1.26 -2.53 116.66 115.31 3kfb n ARG 425 Ca 0.00 0.10 0.16 0.00 -0.92 0.00 0.00 57.85 57.19 3kfb n ARG 425 Cb 0.00 -1.67 0.91 0.00 0.45 0.00 0.00 32.46 32.16 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 -0.68 -0.14 4.11 -1.84 -2.19 114.58 113.84 3kfb h GLU 426 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 3kfb h GLU 426 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3kfb h GLU 426 CO 0.00 0.04 0.45 0.37 0.07 0.00 0.00 179.01 179.94 3kfb h GLN 427 N 0.00 0.60 0.00 1.06 4.15 -1.77 -0.95 115.11 118.21 3kfb h GLN 427 Ca -0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3kfb h GLN 427 Cb 0.12 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3kfb h GLN 427 CO 0.00 0.40 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.09 3kfb h LEU 428 N 0.62 0.00 0.04 -2.39 3.38 -1.61 -2.47 115.31 112.88 3kfb h LEU 428 Ca 0.30 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.02 3kfb h LEU 428 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kfb h LEU 428 CO -0.10 0.15 -1.31 0.00 0.09 0.00 0.00 178.44 177.26 3kfb h ALA 429 N 1.85 0.39 -0.35 1.53 0.00 -1.30 -2.71 119.26 118.69 3kfb h ALA 429 Ca -0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 54.91 53.72 3kfb h ALA 429 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kfb h ALA 429 CO 0.02 1.26 -0.24 0.28 0.00 0.00 0.00 179.25 180.58 3kfb h VAL 430 N 0.03 1.29 -0.43 0.00 2.07 -1.38 -0.94 116.25 116.88 3kfb h VAL 430 Ca -0.14 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 3kfb h VAL 430 Cb 1.91 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 3kfb h VAL 430 CO 0.14 0.45 0.12 0.03 0.02 0.00 0.00 177.57 178.32 3kfb h ARG 431 N 0.55 0.63 -0.53 1.57 3.08 -1.53 -1.57 114.38 116.58 3kfb h ARG 431 Ca 0.07 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3kfb h ARG 431 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3kfb h ARG 431 CO 0.06 0.56 -0.04 0.00 -1.07 0.00 0.00 179.97 179.49 3kfb h ALA 432 N 1.52 0.72 -0.52 0.04 0.00 -1.31 -1.49 119.26 118.22 3kfb h ALA 432 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3kfb h ALA 432 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kfb h ALA 432 CO -0.01 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.23 3kfb h PHE 433 N 0.84 0.94 -0.44 0.00 3.57 -0.96 -1.30 116.94 119.59 3kfb h PHE 433 Ca 0.15 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kfb h PHE 433 Cb 0.58 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3kfb h PHE 433 CO 0.04 0.85 0.20 0.00 -2.23 0.00 0.00 178.31 177.18 3kfb h ALA 434 N 0.97 0.57 0.00 2.41 0.00 -1.05 -2.73 119.26 119.43 3kfb h ALA 434 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kfb h ALA 434 Cb 0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kfb h ALA 434 CO 0.01 0.14 -0.14 -0.44 0.00 0.00 0.00 179.25 178.83 3kfb h ASP 435 N 0.57 0.00 0.33 0.00 3.32 -1.15 -2.81 116.42 116.69 3kfb h ASP 435 Ca 0.15 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3kfb h ASP 435 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3kfb h ASP 435 CO -0.02 0.14 -0.58 0.00 -1.72 0.00 0.00 179.24 177.06 3kfb h ALA 436 N 1.86 0.87 0.00 3.45 0.00 -0.92 -3.15 119.26 121.36 3kfb h ALA 436 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3kfb h ALA 436 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kfb h ALA 436 CO 0.02 0.71 -0.19 -0.07 0.00 0.00 0.00 179.25 179.72 3kfb h LEU 437 N 0.20 0.00 0.00 0.00 3.38 -1.40 -2.62 115.31 114.86 3kfb h LEU 437 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kfb h LEU 437 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kfb h LEU 437 CO 0.09 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 3kfb n GLU 438 N -3.89 0.48 0.19 1.13 1.02 -1.19 -3.10 120.64 115.28 3kfb n GLU 438 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3kfb n GLU 438 Cb 0.28 -1.07 0.12 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.16 0.01 2.62 3.04 -1.68 -2.96 116.25 117.45 3kfb h VAL 439 Ca 0.00 -1.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.39 3kfb h VAL 439 Cb 0.00 2.01 0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3kfb h VAL 439 CO 0.00 0.09 -0.27 0.40 -1.01 0.00 0.00 177.57 176.78 3kfb h ILE 440 N 0.00 1.57 -0.45 3.17 1.08 -1.81 -1.91 117.51 119.16 3kfb h ILE 440 Ca -0.01 -2.05 -0.03 0.00 -0.39 0.00 0.00 64.86 62.39 3kfb h ILE 440 Cb 1.08 2.88 -0.02 0.00 -3.07 0.00 0.00 36.82 37.69 3kfb h ILE 440 CO 0.01 0.56 0.16 -0.65 -0.69 0.00 0.00 178.15 177.54 3kfb h PRO 441 N -0.55 0.65 -0.06 2.37 0.11 -1.80 -2.65 132.00 130.07 3kfb h PRO 441 Ca -0.04 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3kfb h PRO 441 Cb 1.06 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kfb h PRO 441 CO 0.05 0.55 -0.15 -0.09 -0.21 0.00 0.00 178.00 178.15 3kfb h ARG 442 N 0.64 0.21 0.00 1.05 2.43 -1.56 -2.94 114.38 114.21 3kfb h ARG 442 Ca 0.15 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3kfb h ARG 442 Cb 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3kfb h ARG 442 CO -0.01 0.75 0.00 1.79 -1.51 0.00 0.00 179.97 180.99 3kfb h THR 443 N -0.30 0.00 -0.08 0.20 1.35 -1.38 -1.52 112.91 111.19 3kfb h THR 443 Ca -0.00 -0.30 -0.19 0.00 -0.55 0.00 0.00 66.41 65.37 3kfb h THR 443 Cb 0.75 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3kfb h THR 443 CO 0.03 0.00 -0.74 -0.07 -0.25 0.00 0.00 175.52 174.49 3kfb h LEU 444 N 0.00 0.50 -0.05 3.87 3.38 -1.43 -2.92 115.31 118.67 3kfb h LEU 444 Ca 0.00 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 3kfb h LEU 444 Cb 0.44 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kfb h LEU 444 CO 0.00 1.08 -0.65 0.00 0.09 0.00 0.00 178.44 178.96 3kfb h ALA 445 N 0.91 0.14 -0.19 1.53 0.00 -1.22 -2.83 119.26 117.59 3kfb h ALA 445 Ca -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.35 3kfb h ALA 445 Cb 1.32 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3kfb h ALA 445 CO 0.13 0.44 -0.14 0.93 0.00 0.00 0.00 179.25 180.61 3kfb h GLU 446 N 0.10 -0.14 0.00 0.00 5.08 -1.36 -1.97 114.58 116.30 3kfb h GLU 446 Ca -0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3kfb h GLU 446 Cb 1.33 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3kfb h GLU 446 CO 0.13 -0.09 -0.18 -0.91 -1.00 0.00 0.00 179.01 176.96 3kfb h ASN 447 N -0.14 0.00 1.20 1.42 2.35 -1.58 -2.00 115.58 116.82 3kfb h ASN 447 Ca 0.12 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3kfb h ASN 447 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3kfb h ASN 447 CO -0.28 0.18 -0.35 0.00 -1.65 0.00 0.00 177.43 175.33 3kfb h ALA 448 N 1.82 0.87 0.00 -0.83 0.00 -1.16 -3.42 119.26 116.54 3kfb h ALA 448 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kfb h ALA 448 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kfb h ALA 448 CO 0.02 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3kfb n GLY 449 N 0.65 2.45 3.70 0.00 0.00 -0.75 -5.08 105.19 106.15 3kfb n GLY 449 Ca 0.01 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 1.61 -0.46 0.99 1.02 -0.88 -4.94 118.68 116.03 3kfb s LEU 450 Ca 0.00 1.10 -0.29 0.00 0.02 0.00 0.00 54.13 54.96 3kfb s LEU 450 Cb 0.00 -3.28 0.03 0.00 0.02 0.00 0.00 46.19 42.96 3kfb s LEU 450 CO 0.00 -3.08 1.14 -0.62 0.02 0.00 0.00 176.35 173.80 3kfb s ASP 451 N -3.60 6.67 0.28 2.29 3.68 -1.26 -4.37 116.67 120.36 3kfb s ASP 451 Ca 0.65 0.55 0.04 0.00 2.13 0.00 0.00 52.55 55.93 3kfb s ASP 451 Cb -0.18 -2.55 0.42 0.00 -1.45 0.00 0.00 42.92 39.17 3kfb s ASP 451 CO 0.57 -1.21 1.70 0.00 0.13 0.00 0.00 175.17 176.36 3kfb h ALA 452 N 9.11 1.09 -0.05 3.66 0.00 -1.87 -2.43 119.26 128.76 3kfb h ALA 452 Ca -0.23 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 3kfb h ALA 452 Cb 1.06 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kfb h ALA 452 CO 1.12 0.58 -0.54 0.82 0.00 0.00 0.00 179.25 181.22 3kfb h ILE 453 N 0.31 1.40 -0.26 0.00 2.04 -1.93 -2.63 117.51 116.43 3kfb h ILE 453 Ca 0.04 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 3kfb h ILE 453 Cb 0.77 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 3kfb h ILE 453 CO 0.06 0.57 0.01 -0.08 0.00 0.00 0.00 178.15 178.71 3kfb h GLU 454 N 0.01 0.45 -0.40 2.37 4.57 -1.97 -3.13 114.58 116.48 3kfb h GLU 454 Ca -0.05 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3kfb h GLU 454 Cb 1.21 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3kfb h GLU 454 CO 0.11 0.60 0.09 0.82 -1.18 0.00 0.00 179.01 179.45 3kfb h ILE 455 N 0.24 1.23 0.00 2.32 2.04 -1.51 -2.14 117.51 119.69 3kfb h ILE 455 Ca 0.07 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3kfb h ILE 455 Cb 0.39 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3kfb h ILE 455 CO 0.01 0.28 0.07 0.25 0.00 0.00 0.00 178.15 178.76 3kfb h LEU 456 N 0.51 0.00 0.07 1.44 5.85 -1.45 -1.26 115.31 120.47 3kfb h LEU 456 Ca 0.12 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.52 3kfb h LEU 456 Cb 0.32 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3kfb h LEU 456 CO 0.00 0.00 -1.81 0.58 -0.34 0.00 0.00 178.44 176.87 3kfb h VAL 457 N 0.00 0.79 -0.04 1.05 2.07 -1.34 -2.96 116.25 115.82 3kfb h VAL 457 Ca 0.00 -2.56 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 3kfb h VAL 457 Cb 0.14 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3kfb h VAL 457 CO 0.00 0.71 -0.51 0.11 0.02 0.00 0.00 177.57 177.89 3kfb h LYS 458 N 0.04 0.11 0.10 1.57 1.57 -0.95 -1.61 116.57 117.40 3kfb h LYS 458 Ca -0.34 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.11 3kfb h LYS 458 Cb 2.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 3kfb h LYS 458 CO 0.09 0.60 -1.28 0.28 -0.57 0.00 0.00 179.45 178.57 3kfb h VAL 459 N 0.09 1.43 -0.22 0.50 2.07 -1.41 -2.65 116.25 116.07 3kfb h VAL 459 Ca 0.00 -3.06 -0.16 0.00 0.82 0.00 0.00 66.70 64.30 3kfb h VAL 459 Cb 0.94 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 3kfb h VAL 459 CO 0.07 0.88 -0.53 -0.09 0.02 0.00 0.00 177.57 177.91 3kfb h ARG 460 N 0.06 0.65 0.00 1.57 2.43 -1.46 -2.98 114.38 114.65 3kfb h ARG 460 Ca -0.14 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3kfb h ARG 460 Cb 1.95 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.54 3kfb h ARG 460 CO 0.17 1.02 -0.07 0.00 -1.51 0.00 0.00 179.97 179.58 3kfb h ALA 461 N 0.91 0.96 -0.23 2.80 0.00 -1.37 -3.07 119.26 119.26 3kfb h ALA 461 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kfb h ALA 461 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kfb h ALA 461 CO 0.11 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3kfb n ALA 462 N -2.12 2.49 -0.01 0.00 0.00 -1.00 -3.64 120.51 116.24 3kfb n ALA 462 Ca 0.03 -0.59 0.04 0.00 0.00 0.00 0.00 53.44 52.91 3kfb n ALA 462 Cb 0.52 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 0.48 0.00 -2.10 0.00 -0.00 -1.15 -1.79 115.22 110.66 3kfb n HIS 463 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.49 3kfb n HIS 463 Cb 0.35 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 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 -2.60 3.04 0.00 -1.41 0.00 -1.20 -4.43 121.76 115.16 3kfb s ALA 464 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kfb s ALA 464 Cb 0.06 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3kfb s ALA 464 CO 0.38 -0.85 0.00 -1.13 0.00 0.00 0.00 175.76 174.16 3kfb n SER 465 N -0.37 0.00 0.00 0.00 3.41 -1.26 -4.57 113.62 110.83 3kfb n SER 465 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 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 5.35 0.00 -4.81 4.04 3.02 -1.26 -5.08 115.26 116.52 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 -0.03 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 -2.38 1.66 -0.25 7.41 0.00 -1.26 -4.43 107.32 108.08 3kfb s GLY 467 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 3kfb s GLY 467 CO 0.00 0.40 -0.17 0.70 0.00 0.00 0.00 173.10 174.03 3kfb n ASN 468 N -3.25 1.98 0.00 1.64 3.02 -0.74 -4.00 115.26 113.91 3kfb n ASN 468 Ca 0.08 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3kfb n ASN 468 Cb 0.54 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -3.68 0.00 -0.41 3.52 4.81 -1.26 -4.71 118.16 116.42 3kfb n LYS 469 Ca -0.46 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.06 3kfb n LYS 469 Cb 0.94 -0.13 0.25 0.00 0.02 0.00 0.00 35.03 36.12 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 -2.41 3.57 0.34 0.00 0.00 -1.26 -0.09 121.76 121.90 3kfb s ALA 471 Ca 0.39 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 3kfb s ALA 471 Cb 0.30 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.97 3kfb s ALA 471 CO 0.11 -0.07 0.62 0.41 0.00 0.00 0.00 175.76 176.84 3kfb n GLY 472 N 3.62 1.42 3.70 0.00 0.00 -0.82 -4.60 105.19 108.50 3kfb n GLY 472 Ca -0.10 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3kfb n GLY 472 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kfb s LEU 473 N 0.00 4.30 -0.44 0.99 2.96 -1.19 -1.61 118.68 123.69 3kfb s LEU 473 Ca 0.18 1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 55.48 3kfb s LEU 473 Cb -0.03 -3.51 0.05 0.00 0.50 0.00 0.00 46.19 43.19 3kfb s LEU 473 CO 0.13 -0.35 0.34 0.21 -1.32 0.00 0.00 176.35 175.36 3kfb s ASN 474 N 1.05 6.07 0.40 3.68 2.47 -1.18 -4.79 114.94 122.64 3kfb s ASN 474 Ca 0.49 -1.17 0.28 0.00 0.42 0.00 0.00 52.86 52.88 3kfb s ASN 474 Cb -0.19 -2.15 1.39 0.00 -1.45 0.00 0.00 41.25 38.84 3kfb s ASN 474 CO 0.22 -0.55 1.86 -0.37 -3.72 0.00 0.00 177.10 174.53 3kfb h VAL 475 N 5.74 0.00 0.08 -5.21 -1.51 -1.90 0.43 116.25 113.88 3kfb h VAL 475 Ca -0.27 -0.15 -0.36 0.00 -1.23 0.00 0.00 66.70 64.69 3kfb h VAL 475 Cb 1.11 0.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 3kfb h VAL 475 CO 0.80 0.00 -2.02 0.49 -1.23 0.00 0.00 177.57 175.62 3kfb n PHE 476 N -2.54 0.95 -0.04 5.19 3.72 -1.26 -4.35 117.46 119.13 3kfb n PHE 476 Ca -0.00 0.23 -0.16 0.00 -0.05 0.00 0.00 57.45 57.47 3kfb n PHE 476 Cb 0.14 -1.12 -0.08 0.00 -0.94 0.00 0.00 39.48 37.48 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 -0.13 1.35 0.00 4.37 2.02 -1.84 -3.47 112.91 115.20 3kfb h THR 477 Ca -0.46 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 64.95 3kfb h THR 477 Cb 1.90 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 3kfb h THR 477 CO -0.01 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.04 3kfb n GLY 478 N 0.62 3.07 3.96 2.16 0.00 0.15 -5.04 105.19 110.10 3kfb n GLY 478 Ca -0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.57 3.75 -0.23 4.61 0.00 -1.26 -4.72 121.76 123.34 3kfb s ALA 479 Ca 0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 3kfb s ALA 479 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3kfb s ALA 479 CO 0.00 -0.76 0.98 0.54 0.00 0.00 0.00 175.76 176.53 3kfb s VAL 480 N -2.80 4.72 0.35 0.00 0.11 -1.26 -3.10 120.40 118.41 3kfb s VAL 480 Ca 0.56 1.91 0.07 0.00 -2.93 0.00 0.00 61.98 61.59 3kfb s VAL 480 Cb -0.10 -4.26 -0.07 0.00 -1.53 0.00 0.00 36.38 30.42 3kfb s VAL 480 CO 0.39 -0.15 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.29 3kfb s GLU 481 N 3.08 1.77 -0.42 1.54 2.12 -0.63 -4.90 118.70 121.25 3kfb s GLU 481 Ca 0.42 -1.95 -0.26 0.00 0.36 0.00 0.00 54.97 53.53 3kfb s GLU 481 Cb -0.15 -1.38 0.02 0.00 0.26 0.00 0.00 34.13 32.88 3kfb s GLU 481 CO 0.07 -0.01 0.94 0.34 -0.54 0.00 0.00 175.26 176.06 3kfb s ASP 482 N -3.58 6.59 0.40 -1.70 -1.08 -1.26 -1.94 116.67 114.10 3kfb s ASP 482 Ca 0.33 0.35 0.21 0.00 -0.52 0.00 0.00 52.55 52.92 3kfb s ASP 482 Cb 0.06 -2.46 0.76 0.00 -1.46 0.00 0.00 42.92 39.82 3kfb s ASP 482 CO 0.16 -0.99 1.76 0.24 0.52 0.00 0.00 175.17 176.86 3kfb h MET 483 N 8.84 0.00 -0.29 4.34 2.86 -0.82 -2.57 114.93 127.28 3kfb h MET 483 Ca -0.24 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.26 3kfb h MET 483 Cb 1.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3kfb h MET 483 CO 1.02 0.31 -0.39 0.00 1.06 0.00 0.00 176.91 178.90 3kfb h GLU 485 N 0.53 0.00 0.09 0.00 5.08 -1.89 -3.05 114.58 115.34 3kfb h GLU 485 Ca 0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.14 3kfb h GLU 485 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kfb h GLU 485 CO 0.09 0.09 -1.14 -0.91 -1.00 0.00 0.00 179.01 176.14 3kfb h ASN 486 N 0.00 0.44 0.00 1.42 4.21 -1.35 -3.48 115.58 116.81 3kfb h ASN 486 Ca -0.00 -0.43 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3kfb h ASN 486 Cb 0.76 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 3kfb h ASN 486 CO 0.01 1.30 0.00 0.61 -1.29 0.00 0.00 177.43 178.06 3kfb n GLY 487 N 1.34 1.77 3.24 2.83 0.00 -0.84 -5.09 105.19 108.45 3kfb n GLY 487 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.40 0.00 1.61 1.01 -0.45 -4.72 120.40 120.26 3kfb s VAL 488 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 3kfb s VAL 488 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3kfb s VAL 488 CO 0.00 -0.74 0.01 0.68 0.00 0.00 0.00 175.10 175.05 3kfb s VAL 489 N 1.42 0.04 0.12 2.92 -7.23 -1.26 -1.02 120.40 115.40 3kfb s VAL 489 Ca 0.05 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.95 3kfb s VAL 489 Cb -0.26 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 3kfb s VAL 489 CO 0.01 -0.19 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.82 3kfb s GLU 490 N -0.56 1.12 0.61 4.82 2.02 0.41 -4.50 118.70 122.62 3kfb s GLU 490 Ca -0.06 -1.24 -0.19 0.00 0.02 0.00 0.00 54.97 53.50 3kfb s GLU 490 Cb -0.04 -1.22 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 3kfb s GLU 490 CO -0.00 0.26 1.26 -2.14 0.02 0.00 0.00 175.26 174.66 3kfb s PRO 491 N -2.33 2.85 0.48 0.39 0.02 -1.26 0.35 135.00 135.50 3kfb s PRO 491 Ca 0.09 1.96 0.13 0.00 0.02 0.00 0.00 61.00 63.20 3kfb s PRO 491 Cb -0.08 -1.94 1.12 0.00 0.02 0.00 0.00 34.50 33.62 3kfb s PRO 491 CO 0.05 -1.34 2.12 1.25 -0.33 0.00 0.00 177.00 178.74 3kfb h LEU 492 N 0.85 0.17 -1.93 -5.54 5.85 -1.30 -2.50 115.31 110.91 3kfb h LEU 492 Ca -0.51 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 3kfb h LEU 492 Cb 1.31 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3kfb h LEU 492 CO 0.55 0.12 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.64 3kfb h ARG 493 N 0.20 0.00 -0.40 1.25 2.43 -1.90 -2.20 114.38 113.77 3kfb h ARG 493 Ca 0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 3kfb h ARG 493 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kfb h ARG 493 CO -0.01 0.04 -0.21 0.28 -1.51 0.00 0.00 179.97 178.56 3kfb h VAL 494 N 0.00 1.28 0.13 0.20 2.07 -1.78 -2.42 116.25 115.73 3kfb h VAL 494 Ca -0.00 -1.35 -0.24 0.00 0.82 0.00 0.00 66.70 65.93 3kfb h VAL 494 Cb 0.36 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3kfb h VAL 494 CO 0.01 0.45 -1.15 0.11 0.02 0.00 0.00 177.57 177.01 3kfb h LYS 495 N 0.65 0.27 -0.49 1.57 1.79 -1.61 -2.91 116.57 115.84 3kfb h LYS 495 Ca 0.09 -0.46 -0.08 0.00 -2.18 0.00 0.00 60.65 58.02 3kfb h LYS 495 Cb 0.77 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.57 3kfb h LYS 495 CO 0.06 1.22 -0.03 1.79 -1.08 0.00 0.00 179.45 181.41 3kfb h THR 496 N -0.34 1.25 -0.12 -0.16 1.35 -1.51 -1.80 112.91 111.58 3kfb h THR 496 Ca -0.23 -1.08 -0.04 0.00 -0.55 0.00 0.00 66.41 64.51 3kfb h THR 496 Cb 1.71 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3kfb h THR 496 CO 0.10 0.38 -0.07 -0.61 -0.25 0.00 0.00 175.52 175.07 3kfb h GLN 497 N 0.77 0.26 -0.94 4.72 5.75 -1.59 -2.22 115.11 121.86 3kfb h GLN 497 Ca 0.14 -0.12 0.08 0.00 -0.15 0.00 0.00 58.65 58.60 3kfb h GLN 497 Cb 0.51 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.99 3kfb h GLN 497 CO 0.03 0.62 0.61 0.00 -2.65 0.00 0.00 178.83 177.43 3kfb h ALA 498 N 0.64 1.51 0.14 3.38 0.00 -1.38 -0.80 119.26 122.75 3kfb h ALA 498 Ca 0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3kfb h ALA 498 Cb 0.54 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kfb h ALA 498 CO 0.02 0.33 -1.07 0.82 0.00 0.00 0.00 179.25 179.35 3kfb h ILE 499 N 1.04 1.37 -0.16 0.00 2.04 -1.36 -2.32 117.51 118.12 3kfb h ILE 499 Ca 0.42 -2.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 3kfb h ILE 499 Cb 0.27 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 3kfb h ILE 499 CO -0.17 0.73 0.03 -0.61 0.00 0.00 0.00 178.15 178.13 3kfb h GLN 500 N -0.01 0.26 -0.07 2.37 5.75 -1.26 0.23 115.11 122.39 3kfb h GLN 500 Ca -0.17 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.15 3kfb h GLN 500 Cb 1.80 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.30 3kfb h GLN 500 CO 0.20 0.43 -0.44 0.66 -2.65 0.00 0.00 178.83 177.03 3kfb h SER 501 N 0.06 0.18 0.12 -0.69 4.64 -1.25 -1.17 113.55 115.43 3kfb h SER 501 Ca 0.05 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 3kfb h SER 501 Cb 0.29 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3kfb h SER 501 CO 0.00 0.60 -0.50 0.00 -0.87 0.00 0.00 176.83 176.06 3kfb h ALA 502 N 1.41 0.84 -0.01 5.18 0.00 -1.28 -2.86 119.26 122.54 3kfb h ALA 502 Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 3kfb h ALA 502 Cb 0.84 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kfb h ALA 502 CO 0.06 0.67 -0.94 0.00 0.00 0.00 0.00 179.25 179.04 3kfb h ALA 503 N 1.12 0.33 -0.04 0.00 0.00 -0.68 -2.84 119.26 117.15 3kfb h ALA 503 Ca 0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3kfb h ALA 503 Cb 1.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kfb h ALA 503 CO 0.09 0.78 -0.84 0.93 0.00 0.00 0.00 179.25 180.21 3kfb h GLU 504 N 0.28 0.40 0.09 0.00 5.08 -1.27 -2.21 114.58 116.95 3kfb h GLU 504 Ca -0.09 -0.38 -0.26 0.00 -1.00 0.00 0.00 59.36 57.64 3kfb h GLU 504 Cb 1.58 0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.95 3kfb h GLU 504 CO 0.17 1.04 -1.05 0.66 -1.00 0.00 0.00 179.01 178.83 3kfb h SER 505 N 0.25 0.77 1.27 1.42 4.64 -1.61 -3.15 113.55 117.14 3kfb h SER 505 Ca -0.06 -0.82 -0.04 0.00 -0.47 0.00 0.00 61.79 60.40 3kfb h SER 505 Cb 1.45 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3kfb h SER 505 CO 0.14 1.51 -0.20 0.71 -0.87 0.00 0.00 176.83 178.13 3kfb h THR 506 N 0.13 0.41 0.00 2.95 1.35 -1.60 -2.21 112.91 113.94 3kfb h THR 506 Ca -0.16 -1.21 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 3kfb h THR 506 Cb 1.75 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 70.07 3kfb h THR 506 CO 0.20 0.19 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.10 3kfb h GLU 507 N 0.00 0.00 0.14 4.72 5.08 -1.45 -2.56 114.58 120.50 3kfb h GLU 507 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3kfb h GLU 507 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kfb h GLU 507 CO 0.03 0.24 -1.38 1.98 -1.00 0.00 0.00 179.01 178.88 3kfb h MET 508 N 0.00 0.29 -0.61 2.33 4.05 -1.38 -3.21 114.93 116.40 3kfb h MET 508 Ca -0.00 -0.49 0.02 0.00 -0.28 0.00 0.00 59.70 58.95 3kfb h MET 508 Cb 0.51 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 3kfb h MET 508 CO 0.03 1.23 0.39 -0.07 0.23 0.00 0.00 176.91 178.72 3kfb h LEU 509 N -0.24 0.65 -2.30 3.39 3.38 -1.46 -2.68 115.31 116.05 3kfb h LEU 509 Ca -0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kfb h LEU 509 Cb 1.81 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 3kfb h LEU 509 CO 0.10 0.46 -0.03 -0.07 0.09 0.00 0.00 178.44 178.98 3kfb h LEU 510 N 0.77 0.00 -0.03 1.67 3.38 -1.56 -1.22 115.31 118.32 3kfb h LEU 510 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kfb h LEU 510 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kfb h LEU 510 CO -0.08 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.02 3kfb n ARG 511 N -3.86 0.06 -2.73 1.13 1.74 -1.01 -4.82 116.66 107.17 3kfb n ARG 511 Ca -0.03 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 3kfb n ARG 511 Cb 0.12 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 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 -3.03 4.74 0.00 0.55 1.01 -0.46 -4.93 121.20 119.07 3kfb s ILE 512 Ca 0.12 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.81 3kfb s ILE 512 Cb 0.16 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3kfb s ILE 512 CO 0.50 0.22 0.00 -0.90 0.00 0.00 0.00 174.94 174.77 3kfb n ASP 513 N 3.46 0.06 -3.84 3.58 5.75 -1.26 -4.50 116.55 119.81 3kfb n ASP 513 Ca 0.04 -0.25 -0.13 0.00 -0.01 0.00 0.00 54.79 54.44 3kfb n ASP 513 Cb 0.50 0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 40.97 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 -0.53 -0.02 -0.02 -1.12 -1.08 -1.26 -0.78 116.67 111.86 3kfb s ASP 514 Ca 0.00 0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.16 3kfb s ASP 514 Cb 0.00 0.05 -0.01 0.00 -1.46 0.00 0.00 42.92 41.50 3kfb s ASP 514 CO 0.00 -0.03 -0.18 -0.69 0.52 0.00 0.00 175.17 174.78 3kfb s VAL 515 N 0.22 1.47 -0.32 1.11 1.01 -1.18 -5.02 120.40 117.69 3kfb s VAL 515 Ca -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3kfb s VAL 515 Cb -0.03 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.22 3kfb s VAL 515 CO -0.01 0.42 0.06 -0.63 0.00 0.00 0.00 175.10 174.94 3kfb s ILE 516 N -0.33 1.53 -0.20 2.22 1.01 -1.26 -3.11 121.20 121.05 3kfb s ILE 516 Ca 0.05 -1.79 -0.06 0.00 0.00 0.00 0.00 60.65 58.85 3kfb s ILE 516 Cb -0.08 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3kfb s ILE 516 CO -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 174.94 174.38 3kfb s ALA 517 N 1.29 3.16 0.57 9.38 0.00 -0.51 -5.02 121.76 130.64 3kfb s ALA 517 Ca 0.09 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.16 3kfb s ALA 517 Cb -0.18 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.14 3kfb s ALA 517 CO -0.16 -0.12 0.79 0.00 0.00 0.00 0.00 175.76 176.27 3kfb s ALA 518 N 0.95 4.33 0.00 0.00 0.00 -1.26 -2.71 121.76 123.07 3kfb s ALA 518 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3kfb s ALA 518 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3kfb s ALA 518 CO 0.02 -0.87 0.00 -1.91 0.00 0.00 0.00 175.76 173.00