#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfk s THR 3 N 0.00 0.03 -0.10 4.28 -4.23 -1.26 -5.05 115.64 109.31 1kfk s THR 3 Ca 0.00 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1kfk s THR 3 Cb 0.00 -2.33 -0.27 0.00 1.34 0.00 0.00 72.50 71.24 1kfk s THR 3 CO 0.00 -0.12 0.47 -0.07 -0.54 0.00 0.00 174.62 174.37 1kfk h LEU 4 N 2.63 0.43 -9.70 4.79 3.38 -1.97 -3.48 115.31 111.40 1kfk h LEU 4 Ca -0.34 -0.90 -0.54 0.00 0.09 0.00 0.00 57.88 56.19 1kfk h LEU 4 Cb 1.24 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1kfk h LEU 4 CO 0.52 1.76 -0.59 -0.76 0.09 0.00 0.00 178.44 179.46 1kfk s LEU 5 N -7.29 3.39 -0.02 1.67 2.01 -1.26 -5.07 118.68 112.11 1kfk s LEU 5 Ca -0.21 -0.54 -0.30 0.00 0.01 0.00 0.00 54.13 53.09 1kfk s LEU 5 Cb 0.06 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1kfk s LEU 5 CO 0.78 -0.06 1.46 0.21 1.01 0.00 0.00 176.35 179.75 1kfk s ASN 6 N -3.75 6.80 0.10 2.29 3.84 -1.26 -4.88 114.94 118.08 1kfk s ASN 6 Ca 0.33 2.13 0.26 0.00 0.21 0.00 0.00 52.86 55.79 1kfk s ASN 6 Cb -0.06 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.09 1kfk s ASN 6 CO 0.22 -0.78 1.82 -2.65 -2.79 0.00 0.00 177.10 172.92 1kfk n PRO 7 N 5.90 0.12 -4.24 0.43 -0.02 -1.26 -4.85 135.00 131.08 1kfk n PRO 7 Ca 0.14 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 1kfk n PRO 7 Cb 0.43 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1kfk n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1kfk s TYR 8 N -3.06 2.79 -0.39 6.00 2.02 -1.26 -1.81 117.35 121.63 1kfk s TYR 8 Ca 0.12 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1kfk s TYR 8 Cb 0.15 -1.46 0.11 0.00 -0.40 0.00 0.00 41.96 40.35 1kfk s TYR 8 CO 0.53 0.43 0.11 -0.06 -1.57 0.00 0.00 175.55 174.99 1kfk s PHE 9 N -1.21 3.55 0.00 2.71 0.08 -0.26 -4.98 117.98 117.87 1kfk s PHE 9 Ca 0.22 -3.02 0.00 0.00 0.12 0.00 0.00 56.93 54.24 1kfk s PHE 9 Cb -0.11 -2.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1kfk s PHE 9 CO 0.14 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.78 1kfk n GLY 10 N 3.95 3.03 0.14 4.36 0.00 -1.26 -1.61 105.19 113.80 1kfk n GLY 10 Ca 0.04 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1kfk n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kfk n GLU 11 N 13.28 0.38 -3.58 1.61 0.28 -1.26 -4.96 120.64 126.39 1kfk n GLU 11 Ca 0.00 -0.28 -0.35 0.00 -0.16 0.00 0.00 57.16 56.36 1kfk n GLU 11 Cb 0.00 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.32 1kfk n GLU 11 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1kfk s PHE 12 N -2.82 3.61 0.00 -1.84 0.08 -0.63 -4.89 117.98 111.49 1kfk s PHE 12 Ca 0.14 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.99 1kfk s PHE 12 Cb 0.17 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1kfk s PHE 12 CO 0.71 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.80 1kfk n GLY 13 N 1.13 0.25 3.87 4.36 0.00 0.15 -1.10 105.19 113.86 1kfk n GLY 13 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1kfk n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfk n GLY 14 N 0.00 -2.17 2.33 -0.02 0.00 -0.75 -0.27 105.19 104.32 1kfk n GLY 14 Ca 0.00 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 1kfk n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfk n MET 15 N -0.14 1.28 -2.41 1.61 2.81 -1.26 -1.88 117.12 117.14 1kfk n MET 15 Ca 0.00 -3.75 -0.43 0.00 -1.81 0.00 0.00 57.70 51.72 1kfk n MET 15 Cb 0.00 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 1kfk n MET 15 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1kfk n TYR 16 N 1.45 3.58 -4.34 2.03 4.02 -0.65 -4.94 117.16 118.30 1kfk n TYR 16 Ca 0.25 -2.95 -0.20 0.00 -0.01 0.00 0.00 57.90 54.99 1kfk n TYR 16 Cb 0.47 -2.12 -0.10 0.00 -0.02 0.00 0.00 39.34 37.57 1kfk n TYR 16 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1kfk s VAL 17 N 1.23 1.78 0.50 -0.72 -7.23 -1.26 -3.55 120.40 111.15 1kfk s VAL 17 Ca 0.42 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1kfk s VAL 17 Cb 0.07 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 1kfk s VAL 17 CO -0.00 -0.50 1.12 -2.65 -0.31 0.00 0.00 175.10 172.75 1kfk n PRO 18 N -0.17 1.41 -0.31 4.82 -0.02 -1.26 -4.83 135.00 134.63 1kfk n PRO 18 Ca -0.09 0.51 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 1kfk n PRO 18 Cb 0.59 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 32.14 1kfk n PRO 18 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1kfk h GLN 19 N 1.32 0.16 -0.30 -0.52 5.75 -1.99 -0.06 115.11 119.46 1kfk h GLN 19 Ca -0.48 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.10 1kfk h GLN 19 Cb 1.33 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1kfk h GLN 19 CO 0.56 0.10 0.48 0.97 -2.65 0.00 0.00 178.83 178.29 1kfk h ILE 20 N 0.16 0.21 0.00 2.39 2.10 -1.97 -1.34 117.51 119.07 1kfk h ILE 20 Ca 0.59 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.53 1kfk h ILE 20 Cb 1.26 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 1kfk h ILE 20 CO -0.71 0.00 -1.07 0.18 -1.08 0.00 0.00 178.15 175.47 1kfk n LEU 21 N -3.37 0.61 -0.18 2.19 4.77 -0.04 -4.47 117.00 116.51 1kfk n LEU 21 Ca 0.05 -0.07 -0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1kfk n LEU 21 Cb 0.62 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.71 1kfk n LEU 21 CO 0.22 0.07 0.92 0.24 -1.33 0.00 0.00 177.39 177.50 1kfk h MET 22 N 0.00 0.25 -0.71 3.23 2.86 -1.32 -0.97 114.93 118.28 1kfk h MET 22 Ca 0.00 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1kfk h MET 22 Cb 0.71 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 1kfk h MET 22 CO 0.00 0.17 0.47 -1.35 1.06 0.00 0.00 176.91 177.26 1kfk h PRO 23 N 0.26 0.44 -0.34 -0.22 0.11 -1.78 0.63 132.00 131.10 1kfk h PRO 23 Ca 0.29 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 1kfk h PRO 23 Cb 0.41 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1kfk h PRO 23 CO -0.37 0.29 -0.05 0.00 -0.21 0.00 0.00 178.00 177.66 1kfk h ALA 24 N 1.66 0.47 -0.30 -0.75 0.00 -1.47 -0.76 119.26 118.10 1kfk h ALA 24 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1kfk h ALA 24 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kfk h ALA 24 CO -0.11 0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.46 1kfk h LEU 25 N 0.44 0.44 -0.29 0.00 4.07 -0.76 -1.31 115.31 117.90 1kfk h LEU 25 Ca 0.09 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1kfk h LEU 25 Cb 0.54 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1kfk h LEU 25 CO 0.03 0.52 0.19 0.78 -1.08 0.00 0.00 178.44 178.88 1kfk h ASN 26 N 0.33 0.33 -0.59 -0.43 -0.26 -0.86 0.33 115.58 114.42 1kfk h ASN 26 Ca 0.10 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1kfk h ASN 26 Cb 0.24 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1kfk h ASN 26 CO -0.00 0.24 0.38 -0.61 -1.06 0.00 0.00 177.43 176.37 1kfk h GLN 27 N 0.39 0.74 -0.34 0.81 4.15 -1.05 -1.75 115.11 118.05 1kfk h GLN 27 Ca 0.11 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1kfk h GLN 27 Cb -0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1kfk h GLN 27 CO -0.03 0.49 0.20 1.25 -1.93 0.00 0.00 178.83 178.81 1kfk h LEU 28 N 0.77 0.42 -0.25 -2.39 5.85 -0.76 -0.71 115.31 118.24 1kfk h LEU 28 Ca 0.23 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1kfk h LEU 28 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1kfk h LEU 28 CO -0.07 0.36 0.11 -0.08 -0.34 0.00 0.00 178.44 178.42 1kfk h GLU 29 N 0.44 0.23 -0.68 1.25 4.81 -0.68 -1.02 114.58 118.92 1kfk h GLU 29 Ca 0.12 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1kfk h GLU 29 Cb 0.03 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1kfk h GLU 29 CO -0.02 0.15 0.42 1.49 -0.73 0.00 0.00 179.01 180.32 1kfk h GLU 30 N 0.23 0.92 -0.40 1.92 4.81 -1.08 0.13 114.58 121.11 1kfk h GLU 30 Ca 0.10 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1kfk h GLU 30 Cb 0.05 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1kfk h GLU 30 CO -0.09 0.64 -0.03 0.00 -0.73 0.00 0.00 179.01 178.80 1kfk h ALA 31 N 1.22 1.19 -0.02 2.92 0.00 -0.86 -1.34 119.26 122.37 1kfk h ALA 31 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kfk h ALA 31 Cb -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1kfk h ALA 31 CO -0.05 0.53 0.00 0.35 0.00 0.00 0.00 179.25 180.08 1kfk h PHE 32 N 0.62 0.05 -0.79 0.00 3.57 -0.38 0.14 116.94 120.16 1kfk h PHE 32 Ca 0.12 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1kfk h PHE 32 Cb 0.44 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1kfk h PHE 32 CO 0.02 0.34 0.45 0.28 -2.23 0.00 0.00 178.31 177.17 1kfk h VAL 33 N -0.25 0.93 -0.20 1.41 2.07 -0.58 0.01 116.25 119.63 1kfk h VAL 33 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1kfk h VAL 33 Cb 0.32 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1kfk h VAL 33 CO 0.00 0.14 0.04 -1.28 0.02 0.00 0.00 177.57 176.49 1kfk h SER 34 N 0.78 0.32 -0.04 0.57 0.87 -1.06 -3.05 113.55 111.95 1kfk h SER 34 Ca 0.37 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1kfk h SER 34 Cb 0.30 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1kfk h SER 34 CO -0.23 0.49 -0.08 0.00 -0.53 0.00 0.00 176.83 176.49 1kfk h ALA 35 N 0.84 1.53 0.00 6.23 0.00 -0.06 -2.25 119.26 125.56 1kfk h ALA 35 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1kfk h ALA 35 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kfk h ALA 35 CO 0.00 0.33 0.00 1.96 0.00 0.00 0.00 179.25 181.55 1kfk h GLN 36 N 0.27 0.00 -0.01 0.00 1.08 -0.91 -2.27 115.11 113.27 1kfk h GLN 36 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1kfk h GLN 36 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1kfk h GLN 36 CO 0.02 0.00 -0.50 1.63 -0.95 0.00 0.00 178.83 179.03 1kfk n LYS 37 N -2.80 1.43 -3.00 1.46 4.76 -0.90 -4.88 118.16 114.21 1kfk n LYS 37 Ca 0.01 -0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 54.34 1kfk n LYS 37 Cb 0.28 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 1kfk n LYS 37 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1kfk s ASP 38 N -2.25 6.26 0.42 4.39 -1.08 -0.85 -4.92 116.67 118.64 1kfk s ASP 38 Ca 0.13 -0.71 0.13 0.00 -0.52 0.00 0.00 52.55 51.58 1kfk s ASP 38 Cb 0.15 -2.36 0.99 0.00 -1.46 0.00 0.00 42.92 40.23 1kfk s ASP 38 CO 0.53 -1.08 1.94 -0.65 0.52 0.00 0.00 175.17 176.43 1kfk h PRO 39 N 9.18 0.46 -0.47 4.34 0.11 -1.90 -0.54 132.00 143.18 1kfk h PRO 39 Ca -0.27 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 1kfk h PRO 39 Cb 1.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1kfk h PRO 39 CO 1.04 0.31 0.08 1.49 -0.21 0.00 0.00 178.00 180.71 1kfk h GLU 40 N 0.48 0.77 -0.27 1.05 4.81 -1.93 -0.77 114.58 118.72 1kfk h GLU 40 Ca 0.34 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1kfk h GLU 40 Cb 0.66 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1kfk h GLU 40 CO -0.11 0.78 0.13 0.35 -0.73 0.00 0.00 179.01 179.43 1kfk h PHE 41 N 0.64 0.38 -0.93 0.92 3.04 -1.41 -1.88 116.94 117.70 1kfk h PHE 41 Ca 0.14 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1kfk h PHE 41 Cb 0.38 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 1kfk h PHE 41 CO 0.03 0.35 0.57 1.96 -2.02 0.00 0.00 178.31 179.19 1kfk h GLN 42 N 0.31 1.26 -0.37 1.11 1.08 -1.14 -0.63 115.11 116.73 1kfk h GLN 42 Ca 0.09 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1kfk h GLN 42 Cb 0.10 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1kfk h GLN 42 CO -0.01 0.88 0.13 0.00 -0.95 0.00 0.00 178.83 178.87 1kfk h ALA 43 N 1.31 0.48 -0.58 3.87 0.00 -0.96 0.79 119.26 124.17 1kfk h ALA 43 Ca 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1kfk h ALA 43 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1kfk h ALA 43 CO -0.06 0.10 0.04 0.37 0.00 0.00 0.00 179.25 179.70 1kfk h GLN 44 N 0.44 0.96 -0.29 0.00 4.15 -0.98 0.05 115.11 119.44 1kfk h GLN 44 Ca 0.12 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.20 1kfk h GLN 44 Cb 0.22 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1kfk h GLN 44 CO -0.01 0.93 -0.09 0.35 -1.93 0.00 0.00 178.83 178.08 1kfk h PHE 45 N 0.90 0.64 -0.63 3.99 3.57 -0.89 -2.31 116.94 122.21 1kfk h PHE 45 Ca 0.17 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1kfk h PHE 45 Cb 0.47 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1kfk h PHE 45 CO 0.03 0.78 0.18 0.00 -2.23 0.00 0.00 178.31 177.07 1kfk h ALA 46 N 0.77 1.14 -0.27 2.41 0.00 -0.67 -1.52 119.26 121.12 1kfk h ALA 46 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kfk h ALA 46 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kfk h ALA 46 CO 0.03 0.59 0.15 0.22 0.00 0.00 0.00 179.25 180.25 1kfk h ASP 47 N 0.93 0.34 -0.58 0.00 1.82 -0.84 -0.81 116.42 117.27 1kfk h ASP 47 Ca 0.21 -0.08 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 1kfk h ASP 47 Cb 0.29 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1kfk h ASP 47 CO -0.01 0.32 0.08 -0.07 -1.61 0.00 0.00 179.24 177.96 1kfk h LEU 48 N 0.33 0.94 -0.83 2.28 3.38 -1.16 0.26 115.31 120.50 1kfk h LEU 48 Ca 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1kfk h LEU 48 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1kfk h LEU 48 CO -0.02 0.97 0.41 -0.07 0.09 0.00 0.00 178.44 179.83 1kfk h LEU 49 N 0.88 1.08 0.00 1.67 3.38 -1.08 0.72 115.31 121.97 1kfk h LEU 49 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kfk h LEU 49 Cb 0.44 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kfk h LEU 49 CO 0.01 0.91 -0.03 0.50 0.09 0.00 0.00 178.44 179.92 1kfk h LYS 50 N 1.18 0.00 0.00 1.13 3.64 -0.97 0.28 116.57 121.83 1kfk h LYS 50 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1kfk h LYS 50 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1kfk h LYS 50 CO -0.04 0.57 -0.35 0.09 -2.27 0.00 0.00 179.45 177.44 1kfk n ASN 51 N -4.68 0.39 -0.03 4.20 3.02 0.89 -3.17 115.26 115.88 1kfk n ASN 51 Ca -0.06 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.46 1kfk n ASN 51 Cb 0.28 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1kfk n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfk n TYR 52 N -1.60 0.00 0.18 3.10 9.36 0.05 -4.78 117.16 123.47 1kfk n TYR 52 Ca 0.06 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.37 1kfk n TYR 52 Cb 0.35 -0.23 0.10 0.00 -0.63 0.00 0.00 39.34 38.93 1kfk n TYR 52 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1kfk h ALA 53 N -0.24 0.84 0.00 2.98 0.00 -0.95 -3.45 119.26 118.44 1kfk h ALA 53 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1kfk h ALA 53 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kfk h ALA 53 CO -0.10 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1kfk n GLY 54 N 1.15 1.09 3.86 0.00 0.00 -0.53 -1.67 105.19 109.09 1kfk n GLY 54 Ca 0.02 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1kfk n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfk s ARG 55 N -1.19 3.82 0.50 1.61 0.52 0.86 -4.20 118.95 120.87 1kfk s ARG 55 Ca 0.00 0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 1kfk s ARG 55 Cb 0.00 -2.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.13 1kfk s ARG 55 CO 0.00 -0.19 1.00 -1.25 0.02 0.00 0.00 175.30 174.88 1kfk s PRO 56 N -4.10 3.87 0.45 3.54 0.04 -1.26 -4.31 135.00 133.23 1kfk s PRO 56 Ca 0.54 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 1kfk s PRO 56 Cb -0.10 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1kfk s PRO 56 CO 0.34 -0.34 0.82 0.95 0.04 0.00 0.00 177.00 178.81 1kfk s THR 57 N -2.34 4.77 0.81 1.26 -4.23 -1.26 -5.06 115.64 109.60 1kfk s THR 57 Ca 0.62 0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 61.67 1kfk s THR 57 Cb -0.12 -3.77 0.08 0.00 1.34 0.00 0.00 72.50 70.03 1kfk s THR 57 CO 0.25 -0.66 1.09 0.00 -0.54 0.00 0.00 174.62 174.76 1kfk s ALA 58 N -2.55 2.08 -0.28 3.99 0.00 -1.26 -4.81 121.76 118.93 1kfk s ALA 58 Ca 0.52 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1kfk s ALA 58 Cb -0.10 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1kfk s ALA 58 CO 0.36 -1.87 -0.02 -1.17 0.00 0.00 0.00 175.76 173.06 1kfk s LEU 59 N -5.90 3.53 -0.17 0.00 2.96 -1.26 -1.01 118.68 116.82 1kfk s LEU 59 Ca 0.61 -1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 52.76 1kfk s LEU 59 Cb -0.16 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1kfk s LEU 59 CO 0.55 -0.28 0.37 -0.89 -1.32 0.00 0.00 176.35 174.78 1kfk s THR 60 N 1.16 5.24 -0.02 3.68 2.01 -0.08 -4.84 115.64 122.80 1kfk s THR 60 Ca 0.00 0.69 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 1kfk s THR 60 Cb -0.19 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1kfk s THR 60 CO -0.08 0.31 0.80 -0.75 -0.69 0.00 0.00 174.62 174.21 1kfk s LYS 61 N 0.90 4.49 -0.67 4.92 2.20 -1.26 0.27 119.74 130.59 1kfk s LYS 61 Ca 0.19 1.09 -0.05 0.00 -0.36 0.00 0.00 55.97 56.85 1kfk s LYS 61 Cb -0.14 -3.43 0.17 0.00 -1.51 0.00 0.00 37.83 32.92 1kfk s LYS 61 CO 0.07 0.09 0.50 0.00 -0.36 0.00 0.00 175.35 175.65 1kfk h GLN 63 N 7.12 0.75 -0.86 0.00 4.20 -1.94 -3.28 115.11 121.09 1kfk h GLN 63 Ca 0.01 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 1kfk h GLN 63 Cb 0.96 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1kfk h GLN 63 CO 0.72 1.26 0.49 -0.91 -0.67 0.00 0.00 178.83 179.72 1kfk h ASN 64 N 0.49 1.05 -0.34 1.46 2.35 -1.92 -2.24 115.58 116.43 1kfk h ASN 64 Ca -0.07 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1kfk h ASN 64 Cb 1.48 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1kfk h ASN 64 CO 0.17 0.83 0.05 0.40 -1.65 0.00 0.00 177.43 177.23 1kfk h ILE 65 N 1.20 1.21 -0.03 2.81 2.04 -1.82 -3.16 117.51 119.76 1kfk h ILE 65 Ca 0.31 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1kfk h ILE 65 Cb -0.01 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1kfk h ILE 65 CO -0.05 0.29 -0.04 0.35 0.00 0.00 0.00 178.15 178.70 1kfk n THR 66 N -4.27 0.00 -1.55 -0.27 -2.24 -1.08 -5.00 114.28 99.86 1kfk n THR 66 Ca 0.02 -0.44 -0.49 0.00 -2.27 0.00 0.00 64.05 60.87 1kfk n THR 66 Cb 0.24 1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1kfk n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfk n ALA 67 N 1.07 -1.18 -0.86 6.98 0.00 -0.86 -1.52 120.51 124.13 1kfk n ALA 67 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1kfk n ALA 67 Cb 0.55 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1kfk n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfk n GLY 68 N 1.84 0.70 3.38 0.00 0.00 -1.26 -5.03 105.19 104.82 1kfk n GLY 68 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1kfk n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfk s THR 69 N -2.61 0.73 -0.29 2.61 -4.23 -0.58 -4.95 115.64 106.32 1kfk s THR 69 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1kfk s THR 69 Cb 0.00 -2.64 0.78 0.00 1.34 0.00 0.00 72.50 71.98 1kfk s THR 69 CO 0.00 0.00 1.80 0.54 -0.54 0.00 0.00 174.62 176.42 1kfk n ARG 70 N -0.60 4.21 -3.78 3.99 1.74 -0.24 -4.92 116.66 117.07 1kfk n ARG 70 Ca -0.01 -3.13 -0.36 0.00 -0.77 0.00 0.00 57.85 53.58 1kfk n ARG 70 Cb 0.66 -2.25 -0.07 0.00 -1.02 0.00 0.00 32.46 29.78 1kfk n ARG 70 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1kfk s THR 71 N -2.92 5.44 -0.20 0.55 2.01 -1.26 -2.17 115.64 117.10 1kfk s THR 71 Ca 0.55 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1kfk s THR 71 Cb 0.43 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 1kfk s THR 71 CO 0.15 0.52 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.62 1kfk s THR 72 N -0.24 3.10 -0.09 -0.82 2.01 -0.04 -4.79 115.64 114.77 1kfk s THR 72 Ca 0.12 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1kfk s THR 72 Cb -0.12 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1kfk s THR 72 CO 0.01 0.46 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.01 1kfk s LEU 73 N 1.26 2.51 0.04 4.42 2.96 -1.26 -0.46 118.68 128.16 1kfk s LEU 73 Ca 0.03 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1kfk s LEU 73 Cb -0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1kfk s LEU 73 CO -0.04 0.23 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.70 1kfk s TYR 74 N -0.07 1.89 -0.17 5.38 2.02 -0.13 -1.00 117.35 125.27 1kfk s TYR 74 Ca -0.04 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1kfk s TYR 74 Cb -0.14 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1kfk s TYR 74 CO 0.04 0.10 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.42 1kfk s LEU 75 N -1.19 2.21 -0.34 -1.29 1.43 0.14 -0.63 118.68 119.02 1kfk s LEU 75 Ca 0.08 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 1kfk s LEU 75 Cb -0.09 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1kfk s LEU 75 CO 0.02 0.03 1.25 -0.75 0.23 0.00 0.00 176.35 177.13 1kfk s LYS 76 N 1.13 3.88 -1.37 1.70 2.47 -0.32 -0.90 119.74 126.33 1kfk s LYS 76 Ca 0.01 1.11 -0.12 0.00 -1.56 0.00 0.00 55.97 55.41 1kfk s LYS 76 Cb -0.14 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.31 1kfk s LYS 76 CO -0.08 -1.16 2.49 0.54 0.16 0.00 0.00 175.35 177.30 1kfk n ARG 77 N 7.38 2.94 0.08 4.03 5.12 -0.18 -1.21 116.66 134.82 1kfk n ARG 77 Ca 0.14 -2.17 0.11 0.00 -1.93 0.00 0.00 57.85 54.01 1kfk n ARG 77 Cb 0.47 -2.91 0.45 0.00 -1.16 0.00 0.00 32.46 29.31 1kfk n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1kfk n GLU 78 N 4.83 0.14 0.06 5.56 -0.58 -0.86 -1.87 120.64 127.93 1kfk n GLU 78 Ca 0.62 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 57.74 1kfk n GLU 78 Cb 0.28 -1.73 0.39 0.00 -0.57 0.00 0.00 31.44 29.81 1kfk n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1kfk n ASP 79 N -1.99 0.32 -0.95 1.62 5.75 -0.97 -1.60 116.55 118.74 1kfk n ASP 79 Ca 0.04 0.58 0.12 0.00 -0.01 0.00 0.00 54.79 55.52 1kfk n ASP 79 Cb 0.27 -0.65 0.19 0.00 -1.03 0.00 0.00 41.12 39.90 1kfk n ASP 79 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1kfk n LEU 80 N -1.86 2.93 -4.81 -2.12 4.77 -0.78 -4.34 117.00 110.80 1kfk n LEU 80 Ca 0.03 -1.08 -0.34 0.00 -0.03 0.00 0.00 56.01 54.59 1kfk n LEU 80 Cb 0.19 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1kfk n LEU 80 CO 0.16 0.54 0.69 -0.22 -1.33 0.00 0.00 177.39 177.23 1kfk s LEU 81 N -1.84 3.86 0.02 2.23 2.96 -0.62 -4.92 118.68 120.38 1kfk s LEU 81 Ca 0.32 1.83 -0.33 0.00 -0.22 0.00 0.00 54.13 55.73 1kfk s LEU 81 Cb 0.21 -4.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.23 1kfk s LEU 81 CO 0.31 -0.63 1.84 1.57 -1.32 0.00 0.00 176.35 178.11 1kfk n HIS 82 N -0.90 2.42 0.00 5.38 -0.00 -0.67 -0.15 115.22 121.31 1kfk n HIS 82 Ca 0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1kfk n HIS 82 Cb 0.53 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 1kfk n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1kfk n GLY 83 N 4.23 2.41 2.12 1.57 0.00 -1.26 -4.57 105.19 109.69 1kfk n GLY 83 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kfk n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfk n GLY 84 N -1.07 0.84 3.36 -0.02 0.00 0.79 -5.00 105.19 104.10 1kfk n GLY 84 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kfk n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfk s ALA 85 N -3.33 -0.18 0.45 4.61 0.00 -1.25 -0.73 121.76 121.33 1kfk s ALA 85 Ca 0.00 -0.75 0.19 0.00 0.00 0.00 0.00 51.96 51.41 1kfk s ALA 85 Cb 0.00 0.83 1.18 0.00 0.00 0.00 0.00 23.12 25.13 1kfk s ALA 85 CO 0.00 -0.66 2.03 1.12 0.00 0.00 0.00 175.76 178.25 1kfk h HIS 86 N 2.50 0.00 -1.27 0.00 -0.00 -1.28 -3.21 115.15 111.89 1kfk h HIS 86 Ca -0.31 0.00 0.37 0.00 -0.00 0.00 0.00 60.37 60.42 1kfk h HIS 86 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.59 1kfk h HIS 86 CO 0.39 0.16 1.04 0.87 -0.00 0.00 0.00 177.93 180.39 1kfk h LYS 87 N 0.00 0.00 -0.45 5.12 1.57 -1.95 -0.78 116.57 120.08 1kfk h LYS 87 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1kfk h LYS 87 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1kfk h LYS 87 CO 0.02 0.00 0.25 1.15 -0.57 0.00 0.00 179.45 180.30 1kfk h THR 88 N 0.00 1.14 0.47 -0.16 2.02 -1.83 -2.96 112.91 111.58 1kfk h THR 88 Ca 0.60 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 1kfk h THR 88 Cb 2.68 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.59 1kfk h THR 88 CO -0.01 0.15 -0.50 0.78 0.37 0.00 0.00 175.52 176.31 1kfk h ASN 89 N 0.62 -1.40 0.30 4.18 2.35 -1.42 -2.77 115.58 117.44 1kfk h ASN 89 Ca 0.16 0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1kfk h ASN 89 Cb 0.01 0.47 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1kfk h ASN 89 CO -0.03 -0.66 -0.46 0.06 -1.65 0.00 0.00 177.43 174.69 1kfk h GLN 90 N -0.98 0.20 -0.09 0.81 -0.00 -1.53 -2.93 115.11 110.60 1kfk h GLN 90 Ca -0.06 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.42 1kfk h GLN 90 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.34 1kfk h GLN 90 CO -0.08 0.63 -0.27 -0.39 -0.00 0.00 0.00 178.83 178.72 1kfk h VAL 91 N 0.17 1.23 -0.32 1.86 -1.51 -1.51 0.14 116.25 116.31 1kfk h VAL 91 Ca 0.01 -1.08 -0.06 0.00 -1.23 0.00 0.00 66.70 64.34 1kfk h VAL 91 Cb 0.88 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1kfk h VAL 91 CO 0.07 0.32 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.63 1kfk h LEU 92 N 0.14 0.58 -0.43 4.19 3.38 -1.31 -1.57 115.31 120.30 1kfk h LEU 92 Ca 0.02 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1kfk h LEU 92 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1kfk h LEU 92 CO 0.04 0.77 -0.00 1.23 0.09 0.00 0.00 178.44 180.57 1kfk h GLY 93 N 0.37 0.82 1.54 0.83 0.00 -1.34 -2.62 103.07 102.67 1kfk h GLY 93 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1kfk h GLY 93 CO 0.02 0.56 0.11 1.46 0.00 0.00 0.00 176.54 178.69 1kfk h GLN 94 N 0.60 0.59 -0.54 4.80 4.20 -0.89 -0.85 115.11 123.02 1kfk h GLN 94 Ca 0.12 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1kfk h GLN 94 Cb 0.49 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1kfk h GLN 94 CO 0.02 0.54 -0.11 0.00 -0.67 0.00 0.00 178.83 178.61 1kfk h ALA 95 N 1.54 0.74 -0.25 3.87 0.00 -1.16 0.11 119.26 124.12 1kfk h ALA 95 Ca 0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1kfk h ALA 95 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1kfk h ALA 95 CO -0.01 0.66 -0.26 -0.07 0.00 0.00 0.00 179.25 179.58 1kfk h LEU 96 N 0.91 0.49 -0.33 0.00 3.38 -1.07 -1.26 115.31 117.43 1kfk h LEU 96 Ca 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1kfk h LEU 96 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1kfk h LEU 96 CO 0.05 0.74 0.09 -0.07 0.09 0.00 0.00 178.44 179.34 1kfk h LEU 97 N 0.43 0.48 -0.80 1.67 3.38 -0.65 0.13 115.31 119.95 1kfk h LEU 97 Ca 0.06 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1kfk h LEU 97 Cb 0.68 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1kfk h LEU 97 CO 0.05 0.57 0.51 0.00 0.09 0.00 0.00 178.44 179.67 1kfk h ALA 98 N 0.93 1.04 -0.58 1.53 0.00 -0.38 -1.27 119.26 120.52 1kfk h ALA 98 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1kfk h ALA 98 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kfk h ALA 98 CO -0.00 0.35 -0.05 0.87 0.00 0.00 0.00 179.25 180.42 1kfk h LYS 99 N 1.01 1.05 -0.43 0.00 1.57 -0.88 0.39 116.57 119.28 1kfk h LYS 99 Ca 0.31 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1kfk h LYS 99 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1kfk h LYS 99 CO -0.10 1.05 0.28 -0.09 -0.57 0.00 0.00 179.45 180.02 1kfk h ARG 100 N 0.95 0.51 -0.00 3.15 2.43 -0.14 0.95 114.38 122.22 1kfk h ARG 100 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1kfk h ARG 100 Cb 0.61 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1kfk h ARG 100 CO 0.04 0.34 -0.01 -1.33 -1.51 0.00 0.00 179.97 177.50 1kfk n MET 101 N -4.48 1.11 -0.95 0.20 2.81 -0.54 -4.89 117.12 110.38 1kfk n MET 101 Ca 0.04 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1kfk n MET 101 Cb 0.10 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1kfk n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kfk n GLY 102 N 1.09 0.50 3.82 3.03 0.00 0.33 -5.03 105.19 108.92 1kfk n GLY 102 Ca 0.21 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1kfk n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfk s LYS 103 N -0.49 4.25 0.00 1.61 1.02 0.07 -4.98 119.74 121.23 1kfk s LYS 103 Ca 0.00 0.93 0.03 0.00 0.02 0.00 0.00 55.97 56.96 1kfk s LYS 103 Cb 0.00 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1kfk s LYS 103 CO 0.00 0.27 0.48 -1.13 -0.92 0.00 0.00 175.35 174.05 1kfk n SER 104 N 0.30 0.98 -4.32 2.83 3.41 -0.98 -4.15 113.62 111.70 1kfk n SER 104 Ca 0.01 -0.99 -0.26 0.00 -0.26 0.00 0.00 58.87 57.37 1kfk n SER 104 Cb 0.52 0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1kfk n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1kfk s GLU 105 N -0.57 1.25 -0.03 4.33 2.02 -0.98 -1.28 118.70 123.44 1kfk s GLU 105 Ca 0.03 -1.20 0.05 0.00 0.02 0.00 0.00 54.97 53.87 1kfk s GLU 105 Cb 0.03 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1kfk s GLU 105 CO 0.07 0.37 -0.18 0.42 0.02 0.00 0.00 175.26 175.96 1kfk s ILE 106 N -1.09 1.46 -0.08 -1.63 -1.09 -0.42 -0.92 121.20 117.44 1kfk s ILE 106 Ca 0.09 -0.76 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 1kfk s ILE 106 Cb -0.10 -1.23 -0.00 0.00 -1.58 0.00 0.00 42.46 39.54 1kfk s ILE 106 CO 0.05 0.42 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.30 1kfk s ILE 107 N -0.21 2.02 0.05 2.92 1.01 -0.05 -1.34 121.20 125.60 1kfk s ILE 107 Ca 0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 1kfk s ILE 107 Cb -0.09 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1kfk s ILE 107 CO 0.01 0.56 0.09 0.00 0.00 0.00 0.00 174.94 175.59 1kfk s ALA 108 N 0.10 0.01 0.01 9.38 0.00 -0.98 0.43 121.76 130.71 1kfk s ALA 108 Ca -0.11 -0.67 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1kfk s ALA 108 Cb -0.16 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1kfk s ALA 108 CO 0.06 -0.35 -0.24 -1.83 0.00 0.00 0.00 175.76 173.41 1kfk s GLU 109 N -2.98 1.75 -0.03 0.00 1.03 -1.26 0.05 118.70 117.26 1kfk s GLU 109 Ca -0.02 -0.93 -0.16 0.00 0.03 0.00 0.00 54.97 53.89 1kfk s GLU 109 Cb 0.01 -1.79 0.03 0.00 -0.80 0.00 0.00 34.13 31.58 1kfk s GLU 109 CO -0.06 0.48 0.34 -0.08 -1.33 0.00 0.00 175.26 174.60 1kfk s THR 110 N -0.68 0.05 -0.01 1.83 -1.32 -0.84 -4.60 115.64 110.07 1kfk s THR 110 Ca 0.09 -0.41 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1kfk s THR 110 Cb -0.09 -0.63 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 1kfk s THR 110 CO 0.01 -0.22 -0.07 0.61 -2.21 0.00 0.00 174.62 172.73 1kfk n GLY 111 N 1.37 -0.20 0.26 6.08 0.00 -1.26 -4.12 105.19 107.31 1kfk n GLY 111 Ca -0.21 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1kfk n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfk h ALA 112 N -0.68 1.00 0.00 4.61 0.00 -1.94 -3.45 119.26 118.80 1kfk h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kfk h ALA 112 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kfk h ALA 112 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1kfk n GLY 113 N 0.27 3.09 0.19 0.00 0.00 -1.26 -4.90 105.19 102.58 1kfk n GLY 113 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1kfk n GLY 113 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1kfk h GLN 114 N 1.98 0.38 -0.34 1.61 5.75 -1.97 -0.19 115.11 122.33 1kfk h GLN 114 Ca 0.00 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 1kfk h GLN 114 Cb 0.00 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1kfk h GLN 114 CO 0.00 0.25 -0.13 1.25 -2.65 0.00 0.00 178.83 177.55 1kfk h HIS 115 N 0.39 0.65 -0.41 3.99 2.76 -1.93 -1.17 115.15 119.43 1kfk h HIS 115 Ca 0.21 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1kfk h HIS 115 Cb 0.17 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1kfk h HIS 115 CO -0.13 0.71 0.22 0.78 -1.30 0.00 0.00 177.93 178.21 1kfk h GLY 116 N 0.96 0.62 1.00 5.26 0.00 -1.58 0.75 103.07 110.08 1kfk h GLY 116 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1kfk h GLY 116 CO 0.03 0.27 0.30 -2.08 0.00 0.00 0.00 176.54 175.06 1kfk h VAL 117 N 0.53 1.22 -0.22 4.60 2.07 -0.73 -0.84 116.25 122.88 1kfk h VAL 117 Ca 0.14 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1kfk h VAL 117 Cb 0.06 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1kfk h VAL 117 CO -0.02 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.88 1kfk h ALA 118 N 1.13 0.29 -0.66 1.67 0.00 -0.89 -0.30 119.26 120.49 1kfk h ALA 118 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1kfk h ALA 118 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1kfk h ALA 118 CO -0.03 -0.07 0.44 0.77 0.00 0.00 0.00 179.25 180.36 1kfk h SER 119 N 0.17 0.75 -0.23 0.00 0.02 -0.70 -1.34 113.55 112.22 1kfk h SER 119 Ca 0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1kfk h SER 119 Cb 0.27 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1kfk h SER 119 CO 0.00 0.54 0.12 0.00 -1.14 0.00 0.00 176.83 176.34 1kfk h ALA 120 N 1.25 0.29 -0.55 3.77 0.00 -0.93 -0.52 119.26 122.59 1kfk h ALA 120 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1kfk h ALA 120 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1kfk h ALA 120 CO -0.06 -0.16 0.07 1.37 0.00 0.00 0.00 179.25 180.46 1kfk h LEU 121 N 0.25 0.84 -0.35 0.00 8.10 -0.84 -0.62 115.31 122.69 1kfk h LEU 121 Ca 0.08 -0.19 -0.05 0.00 0.11 0.00 0.00 57.88 57.83 1kfk h LEU 121 Cb 0.09 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1kfk h LEU 121 CO -0.01 0.86 0.02 0.00 -4.11 0.00 0.00 178.44 175.20 1kfk h ALA 122 N 1.24 0.47 -0.55 0.17 0.00 -1.05 -1.71 119.26 117.82 1kfk h ALA 122 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1kfk h ALA 122 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1kfk h ALA 122 CO 0.01 0.21 0.23 0.77 0.00 0.00 0.00 179.25 180.47 1kfk h SER 123 N 0.42 0.76 -0.41 0.00 0.02 -0.87 -0.56 113.55 112.92 1kfk h SER 123 Ca 0.10 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1kfk h SER 123 Cb 0.42 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1kfk h SER 123 CO 0.01 0.71 0.23 0.00 -1.14 0.00 0.00 176.83 176.65 1kfk h ALA 124 N 1.08 0.52 -0.60 3.77 0.00 -1.03 0.40 119.26 123.39 1kfk h ALA 124 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1kfk h ALA 124 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kfk h ALA 124 CO -0.02 0.03 0.12 1.25 0.00 0.00 0.00 179.25 180.63 1kfk h LEU 125 N 0.53 0.93 -2.84 0.00 7.12 -1.04 -3.13 115.31 116.87 1kfk h LEU 125 Ca 0.14 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.91 1kfk h LEU 125 Cb 0.03 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 39.92 1kfk h LEU 125 CO -0.02 0.94 0.00 0.18 -0.13 0.00 0.00 178.44 179.40 1kfk n LEU 126 N -4.33 4.36 -3.12 2.25 4.77 -0.24 -4.96 117.00 115.73 1kfk n LEU 126 Ca 0.03 -2.20 -0.16 0.00 -0.03 0.00 0.00 56.01 53.66 1kfk n LEU 126 Cb 0.26 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1kfk n LEU 126 CO 0.41 0.73 0.11 0.61 -1.33 0.00 0.00 177.39 177.93 1kfk n GLY 127 N 1.04 -0.27 3.40 -0.72 0.00 -0.18 -5.01 105.19 103.45 1kfk n GLY 127 Ca 0.23 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1kfk n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfk s LEU 128 N -5.88 2.39 -0.56 0.99 1.43 0.12 -4.98 118.68 112.20 1kfk s LEU 128 Ca 0.07 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 1kfk s LEU 128 Cb -0.03 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.78 1kfk s LEU 128 CO 0.63 0.31 1.12 -0.54 0.23 0.00 0.00 176.35 178.10 1kfk s LYS 129 N -0.87 3.50 -0.21 1.70 1.02 -0.41 -4.37 119.74 120.10 1kfk s LYS 129 Ca 0.12 0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.18 1kfk s LYS 129 Cb -0.10 -4.01 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1kfk s LYS 129 CO 0.01 -1.59 0.13 0.00 -0.92 0.00 0.00 175.35 172.98 1kfk s ARG 131 N 0.62 2.84 -0.08 0.00 1.70 -0.45 -0.72 118.95 122.87 1kfk s ARG 131 Ca 0.07 -0.80 0.04 0.00 -0.47 0.00 0.00 55.73 54.56 1kfk s ARG 131 Cb -0.12 -2.20 -0.01 0.00 -0.57 0.00 0.00 34.95 32.04 1kfk s ARG 131 CO 0.01 0.11 -0.19 0.42 -1.08 0.00 0.00 175.30 174.56 1kfk s ILE 132 N 0.51 2.56 -0.18 4.99 1.01 0.20 -2.32 121.20 127.97 1kfk s ILE 132 Ca -0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1kfk s ILE 132 Cb -0.17 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1kfk s ILE 132 CO 0.06 0.56 0.12 -0.31 0.00 0.00 0.00 174.94 175.37 1kfk s TYR 133 N -0.15 3.42 -0.06 3.97 2.02 0.11 0.18 117.35 126.84 1kfk s TYR 133 Ca -0.03 0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.96 1kfk s TYR 133 Cb -0.14 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1kfk s TYR 133 CO 0.04 0.35 0.16 1.41 -1.57 0.00 0.00 175.55 175.94 1kfk s MET 134 N 0.12 0.16 0.29 -0.62 -2.45 -0.59 -2.00 119.30 114.20 1kfk s MET 134 Ca 0.09 0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 54.50 1kfk s MET 134 Cb -0.11 -0.00 -0.11 0.00 1.25 0.00 0.00 34.83 35.86 1kfk s MET 134 CO -0.01 -0.07 1.55 0.20 1.05 0.00 0.00 175.02 177.74 1kfk s GLY 135 N 0.46 2.20 0.28 2.11 0.00 -1.26 0.30 107.32 111.41 1kfk s GLY 135 Ca -0.03 1.51 0.01 0.00 0.00 0.00 0.00 44.72 46.21 1kfk s GLY 135 CO -0.02 2.47 1.68 0.00 0.00 0.00 0.00 173.10 177.23 1kfk h ALA 136 N 4.81 1.25 -0.47 3.20 0.00 -1.17 0.44 119.26 127.31 1kfk h ALA 136 Ca -0.47 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1kfk h ALA 136 Cb 1.22 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1kfk h ALA 136 CO 0.78 -0.37 0.14 0.87 0.00 0.00 0.00 179.25 180.68 1kfk h LYS 137 N 0.32 0.70 -0.02 0.00 1.57 -1.77 -2.40 116.57 114.97 1kfk h LYS 137 Ca 0.51 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 59.03 1kfk h LYS 137 Cb 0.96 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1kfk h LYS 137 CO -0.55 0.61 -0.68 -0.44 -0.57 0.00 0.00 179.45 177.82 1kfk h ASP 138 N 0.68 0.10 0.34 0.86 3.32 -0.35 -2.89 116.42 118.48 1kfk h ASP 138 Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1kfk h ASP 138 Cb 0.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1kfk h ASP 138 CO -0.01 0.75 -0.16 0.58 -1.72 0.00 0.00 179.24 178.68 1kfk h VAL 139 N 0.06 0.68 -0.58 -1.35 2.07 -0.46 0.63 116.25 117.28 1kfk h VAL 139 Ca -0.01 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1kfk h VAL 139 Cb 1.21 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1kfk h VAL 139 CO 0.09 0.06 0.03 -0.08 0.02 0.00 0.00 177.57 177.69 1kfk h GLU 140 N -0.62 0.14 0.00 1.57 4.57 -1.52 -1.53 114.58 117.19 1kfk h GLU 140 Ca -0.05 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1kfk h GLU 140 Cb 0.45 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1kfk h GLU 140 CO 0.08 0.10 0.00 0.00 -1.18 0.00 0.00 179.01 178.00 1kfk h ARG 141 N 0.15 0.00 -0.86 1.92 3.08 -1.34 -3.33 114.38 113.99 1kfk h ARG 141 Ca 0.30 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.82 1kfk h ARG 141 Cb 0.48 0.00 -0.43 0.00 0.08 0.00 0.00 29.97 30.10 1kfk h ARG 141 CO -0.47 0.00 -0.83 1.04 -1.07 0.00 0.00 179.97 178.64 1kfk n GLN 142 N -2.78 3.46 -0.31 0.04 1.13 0.20 -4.87 117.38 114.26 1kfk n GLN 142 Ca 0.03 -4.18 0.15 0.00 -1.94 0.00 0.00 57.00 51.06 1kfk n GLN 142 Cb 0.38 -2.23 0.33 0.00 0.11 0.00 0.00 30.24 28.83 1kfk n GLN 142 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1kfk h SER 143 N 2.28 0.13 0.80 1.08 0.87 -1.64 -1.11 113.55 115.96 1kfk h SER 143 Ca 0.33 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 61.04 1kfk h SER 143 Cb 1.42 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1kfk h SER 143 CO 0.74 -0.14 -0.41 -0.65 -0.53 0.00 0.00 176.83 175.84 1kfk h PRO 144 N 0.25 -1.07 -0.26 2.24 0.11 -1.91 -1.69 132.00 129.66 1kfk h PRO 144 Ca 0.59 0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.81 1kfk h PRO 144 Cb 1.22 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 1kfk h PRO 144 CO -0.64 -0.72 0.18 -0.91 -0.21 0.00 0.00 178.00 175.71 1kfk h ASN 145 N -1.11 0.18 -0.57 -2.05 2.35 -1.78 -1.16 115.58 111.45 1kfk h ASN 145 Ca -0.11 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1kfk h ASN 145 Cb 0.86 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1kfk h ASN 145 CO 0.16 0.12 0.10 0.58 -1.65 0.00 0.00 177.43 176.74 1kfk h VAL 146 N 0.21 1.25 0.00 2.81 2.07 -0.95 -1.10 116.25 120.55 1kfk h VAL 146 Ca 0.11 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1kfk h VAL 146 Cb 0.19 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1kfk h VAL 146 CO -0.02 0.35 -0.59 0.15 0.02 0.00 0.00 177.57 177.49 1kfk h PHE 147 N 0.83 0.00 -0.28 1.57 3.57 -0.44 -2.49 116.94 119.70 1kfk h PHE 147 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1kfk h PHE 147 Cb 0.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1kfk h PHE 147 CO 0.03 0.59 -0.02 0.00 -2.23 0.00 0.00 178.31 176.68 1kfk h ARG 148 N 0.00 0.50 0.04 1.11 3.08 -0.83 0.18 114.38 118.47 1kfk h ARG 148 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1kfk h ARG 148 Cb 1.05 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1kfk h ARG 148 CO 0.08 0.68 -0.04 0.52 -1.07 0.00 0.00 179.97 180.13 1kfk h MET 149 N 0.28 -0.10 -0.79 0.04 2.86 -1.12 -1.17 114.93 114.93 1kfk h MET 149 Ca 0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1kfk h MET 149 Cb 0.46 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1kfk h MET 149 CO 0.02 -0.06 0.51 0.00 1.06 0.00 0.00 176.91 178.43 1kfk h ARG 150 N -0.10 1.06 -0.27 1.72 3.08 -1.38 -0.70 114.38 117.78 1kfk h ARG 150 Ca 0.00 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.04 1kfk h ARG 150 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1kfk h ARG 150 CO -0.01 0.72 0.19 1.25 -1.07 0.00 0.00 179.97 181.04 1kfk h LEU 151 N 1.08 0.07 -2.54 3.04 5.85 -0.18 0.11 115.31 122.73 1kfk h LEU 151 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1kfk h LEU 151 Cb -0.09 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1kfk h LEU 151 CO -0.06 0.04 0.00 0.23 -0.34 0.00 0.00 178.44 178.31 1kfk n MET 152 N -4.47 3.33 -0.99 1.25 2.81 -0.36 -4.91 117.12 113.78 1kfk n MET 152 Ca 0.03 -2.07 0.00 0.00 -1.81 0.00 0.00 57.70 53.85 1kfk n MET 152 Cb 0.29 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1kfk n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kfk n GLY 153 N 0.62 0.88 3.81 3.03 0.00 0.38 -4.60 105.19 109.31 1kfk n GLY 153 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1kfk n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfk s ALA 154 N -3.51 3.12 -0.24 4.61 0.00 -0.65 -4.71 121.76 120.37 1kfk s ALA 154 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1kfk s ALA 154 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1kfk s ALA 154 CO 0.00 0.17 0.44 -2.00 0.00 0.00 0.00 175.76 174.37 1kfk s GLU 155 N -2.88 4.09 -0.29 0.00 2.12 0.10 -3.97 118.70 117.87 1kfk s GLU 155 Ca 0.58 0.22 -0.13 0.00 0.36 0.00 0.00 54.97 56.00 1kfk s GLU 155 Cb -0.11 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1kfk s GLU 155 CO 0.16 -0.23 0.26 0.08 -0.54 0.00 0.00 175.26 174.99 1kfk s VAL 156 N 1.91 5.26 -0.28 3.70 1.01 -1.26 0.61 120.40 131.35 1kfk s VAL 156 Ca 0.19 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1kfk s VAL 156 Cb -0.15 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1kfk s VAL 156 CO 0.09 0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 174.69 1kfk s ILE 157 N 1.86 3.06 0.41 2.22 1.01 0.13 -4.97 121.20 124.92 1kfk s ILE 157 Ca 0.09 -1.15 -0.25 0.00 0.00 0.00 0.00 60.65 59.34 1kfk s ILE 157 Cb -0.16 -2.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.57 1kfk s ILE 157 CO 0.11 0.04 1.22 -2.84 0.00 0.00 0.00 174.94 173.48 1kfk s PRO 158 N 1.31 3.99 -0.33 2.79 0.02 -1.26 -1.54 135.00 139.99 1kfk s PRO 158 Ca -0.02 1.97 0.01 0.00 0.02 0.00 0.00 61.00 62.98 1kfk s PRO 158 Cb -0.18 -2.69 0.08 0.00 0.02 0.00 0.00 34.50 31.73 1kfk s PRO 158 CO -0.02 -0.42 0.03 0.08 -0.33 0.00 0.00 177.00 176.35 1kfk s VAL 159 N -1.35 2.64 -0.75 3.83 1.01 0.15 -4.85 120.40 121.08 1kfk s VAL 159 Ca 0.58 -1.88 0.24 0.00 0.00 0.00 0.00 61.98 60.92 1kfk s VAL 159 Cb -0.34 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1kfk s VAL 159 CO 0.43 -0.36 1.35 1.41 0.00 0.00 0.00 175.10 177.92 1kfk n HIS 160 N 4.46 0.37 -1.97 5.22 8.25 -1.26 -1.15 115.22 129.13 1kfk n HIS 160 Ca -0.06 0.11 -0.34 0.00 -0.26 0.00 0.00 57.72 57.17 1kfk n HIS 160 Cb 0.42 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 31.03 1kfk n HIS 160 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kfk s SER 161 N -3.84 5.33 0.99 0.41 1.04 -1.26 -4.45 113.70 111.92 1kfk s SER 161 Ca 0.08 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.62 1kfk s SER 161 Cb 0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1kfk s SER 161 CO 0.71 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1kfk n GLY 162 N -0.12 2.43 0.32 7.32 0.00 -1.26 -2.02 105.19 111.86 1kfk n GLY 162 Ca 0.11 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1kfk n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfk n SER 163 N 2.72 1.00 -3.59 1.61 3.41 -1.26 -4.94 113.62 112.58 1kfk n SER 163 Ca 0.00 -1.34 -0.21 0.00 -0.26 0.00 0.00 58.87 57.06 1kfk n SER 163 Cb 0.00 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.01 1kfk n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfk n ALA 164 N -0.22 -1.80 -3.06 7.33 0.00 -0.85 -4.79 120.51 117.11 1kfk n ALA 164 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1kfk n ALA 164 Cb 0.27 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.60 1kfk n ALA 164 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kfk n THR 165 N -4.40 0.00 -0.15 0.00 -2.24 -1.26 -2.59 114.28 103.64 1kfk n THR 165 Ca -0.20 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1kfk n THR 165 Cb 0.64 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1kfk n THR 165 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1kfk h LEU 166 N 0.00 0.22 -1.09 3.22 5.85 -1.91 -1.23 115.31 120.38 1kfk h LEU 166 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1kfk h LEU 166 Cb 0.00 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1kfk h LEU 166 CO 0.00 0.16 0.43 0.07 -0.34 0.00 0.00 178.44 178.76 1kfk h LYS 167 N 0.38 1.06 -0.08 1.25 2.10 -1.97 0.36 116.57 119.68 1kfk h LYS 167 Ca 0.22 -0.11 -0.13 0.00 -2.00 0.00 0.00 60.65 58.62 1kfk h LYS 167 Cb 0.20 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1kfk h LYS 167 CO -0.20 0.77 -0.54 -0.44 -2.00 0.00 0.00 179.45 177.03 1kfk h ASP 168 N 1.07 0.26 -0.37 7.07 3.32 -1.79 -2.59 116.42 123.39 1kfk h ASP 168 Ca 0.27 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1kfk h ASP 168 Cb 0.01 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1kfk h ASP 168 CO -0.05 0.75 -0.35 0.00 -1.72 0.00 0.00 179.24 177.87 1kfk h ALA 169 N 1.25 0.63 -0.58 3.45 0.00 -0.49 -2.91 119.26 120.61 1kfk h ALA 169 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1kfk h ALA 169 Cb 1.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1kfk h ALA 169 CO 0.08 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.39 1kfk h ASN 171 N 0.66 0.75 -0.07 0.00 2.35 -1.31 -2.96 115.58 115.00 1kfk h ASN 171 Ca 0.24 -0.57 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 1kfk h ASN 171 Cb 0.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1kfk h ASN 171 CO -0.06 1.19 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.74 1kfk h GLU 172 N 0.35 0.36 -0.01 0.81 4.57 -1.29 -1.80 114.58 117.57 1kfk h GLU 172 Ca -0.01 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1kfk h GLU 172 Cb 1.10 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1kfk h GLU 172 CO 0.11 0.46 0.00 0.00 -1.18 0.00 0.00 179.01 178.40 1kfk h ALA 173 N 1.57 0.02 -0.80 2.92 0.00 -1.43 -1.97 119.26 119.56 1kfk h ALA 173 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1kfk h ALA 173 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1kfk h ALA 173 CO 0.02 -0.33 0.50 -0.07 0.00 0.00 0.00 179.25 179.37 1kfk h LEU 174 N -0.26 0.81 -0.13 0.00 3.38 -1.33 0.62 115.31 118.41 1kfk h LEU 174 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1kfk h LEU 174 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1kfk h LEU 174 CO 0.00 0.54 -0.07 0.03 0.09 0.00 0.00 178.44 179.04 1kfk h ARG 175 N 0.96 -0.05 -0.49 1.13 3.08 -1.19 0.62 114.38 118.44 1kfk h ARG 175 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1kfk h ARG 175 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1kfk h ARG 175 CO -0.14 -0.04 0.32 0.22 -1.07 0.00 0.00 179.97 179.26 1kfk h ASP 176 N -0.06 0.56 -0.55 7.04 1.82 -0.75 -3.00 116.42 121.49 1kfk h ASP 176 Ca 0.07 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1kfk h ASP 176 Cb 0.16 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1kfk h ASP 176 CO -0.16 0.41 0.04 -0.25 -1.61 0.00 0.00 179.24 177.67 1kfk h TRP 177 N 0.66 1.05 -0.01 0.28 7.01 -0.45 -2.14 115.95 122.35 1kfk h TRP 177 Ca 0.18 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1kfk h TRP 177 Cb -0.07 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.71 1kfk h TRP 177 CO -0.04 0.92 0.01 0.66 -2.79 0.00 0.00 178.44 177.20 1kfk h SER 178 N 0.91 0.00 -0.01 2.65 4.64 -0.74 -0.20 113.55 120.81 1kfk h SER 178 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1kfk h SER 178 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1kfk h SER 178 CO 0.02 0.00 -0.53 0.61 -0.87 0.00 0.00 176.83 176.06 1kfk n GLY 179 N -1.22 -0.24 0.12 -0.77 0.00 -0.97 -4.67 105.19 97.45 1kfk n GLY 179 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1kfk n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfk n SER 180 N -0.63 0.29 0.01 1.61 3.41 -0.66 -4.86 113.62 112.80 1kfk n SER 180 Ca 0.05 -1.42 0.01 0.00 -0.26 0.00 0.00 58.87 57.25 1kfk n SER 180 Cb 0.32 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1kfk n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfk n TYR 181 N -0.10 0.05 -0.17 7.33 4.11 -0.18 -0.68 117.16 127.52 1kfk n TYR 181 Ca 0.01 0.03 -0.11 0.00 -0.00 0.00 0.00 57.90 57.82 1kfk n TYR 181 Cb 0.53 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 1kfk n TYR 181 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1kfk h GLU 182 N 0.00 0.96 0.00 -3.48 5.08 -1.89 -3.33 114.58 111.93 1kfk h GLU 182 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1kfk h GLU 182 Cb 0.11 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1kfk h GLU 182 CO 0.00 1.05 -0.81 0.25 -1.00 0.00 0.00 179.01 178.49 1kfk n THR 183 N -4.18 0.00 -4.60 1.13 -2.24 -0.69 -4.80 114.28 98.89 1kfk n THR 183 Ca 0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1kfk n THR 183 Cb 0.41 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.21 1kfk n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfk s ALA 184 N -2.08 2.67 -0.14 6.98 0.00 0.14 -2.31 121.76 127.02 1kfk s ALA 184 Ca 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1kfk s ALA 184 Cb 0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1kfk s ALA 184 CO 0.31 0.58 -0.15 -1.58 0.00 0.00 0.00 175.76 174.92 1kfk s HIS 185 N -0.96 2.77 -0.45 0.00 2.46 -0.09 -4.12 115.29 114.90 1kfk s HIS 185 Ca 0.15 -0.84 -0.27 0.00 0.47 0.00 0.00 55.06 54.57 1kfk s HIS 185 Cb -0.11 -1.84 0.03 0.00 -0.13 0.00 0.00 32.58 30.53 1kfk s HIS 185 CO 0.06 -0.34 1.02 -0.47 -2.47 0.00 0.00 174.74 172.55 1kfk s TYR 186 N 0.53 2.91 -1.17 3.88 5.04 -1.26 -0.87 117.35 126.40 1kfk s TYR 186 Ca -0.10 0.61 -0.12 0.00 -2.44 0.00 0.00 57.07 55.02 1kfk s TYR 186 Cb -0.16 -4.12 0.20 0.00 0.35 0.00 0.00 41.96 38.24 1kfk s TYR 186 CO 0.04 -1.12 1.32 1.41 -1.34 0.00 0.00 175.55 175.86 1kfk s MET 187 N 4.01 4.12 0.51 4.97 -2.45 0.17 -4.93 119.30 125.70 1kfk s MET 187 Ca 0.42 -2.77 -0.23 0.00 -1.25 0.00 0.00 55.69 51.87 1kfk s MET 187 Cb -0.09 -4.90 -0.07 0.00 1.25 0.00 0.00 34.83 31.02 1kfk s MET 187 CO 0.27 -1.60 1.31 -0.11 1.05 0.00 0.00 175.02 175.94 1kfk n LEU 188 N 4.74 4.94 -1.67 4.11 0.00 -1.26 -4.52 117.00 123.33 1kfk n LEU 188 Ca 0.32 1.01 0.09 0.00 0.00 0.00 0.00 56.01 57.44 1kfk n LEU 188 Cb 0.42 -1.55 0.37 0.00 0.00 0.00 0.00 43.42 42.66 1kfk n LEU 188 CO 0.57 -0.65 0.83 0.61 0.00 0.00 0.00 177.39 178.75 1kfk n GLY 189 N 0.79 2.76 3.74 -3.96 0.00 -1.26 -5.00 105.19 102.26 1kfk n GLY 189 Ca 0.09 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1kfk n GLY 189 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kfk s THR 190 N -2.06 0.00 -0.44 2.61 -1.32 -1.26 -4.93 115.64 108.24 1kfk s THR 190 Ca 0.52 -0.83 -0.06 0.00 -1.21 0.00 0.00 61.69 60.11 1kfk s THR 190 Cb 0.35 -1.80 -0.15 0.00 -1.51 0.00 0.00 72.50 69.38 1kfk s THR 190 CO 0.23 -0.01 2.72 0.00 -2.21 0.00 0.00 174.62 175.35 1kfk n ALA 191 N -0.43 5.38 -3.28 11.08 0.00 -1.26 -4.70 120.51 127.30 1kfk n ALA 191 Ca -0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 53.44 51.49 1kfk n ALA 191 Cb 0.61 -2.61 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 1kfk n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfk n ALA 192 N 3.10 -0.01 0.00 0.00 0.00 -1.26 -4.02 120.51 118.32 1kfk n ALA 192 Ca 0.42 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1kfk n ALA 192 Cb 0.50 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1kfk n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfk n GLY 193 N -0.15 -1.89 3.79 0.00 0.00 -1.26 -3.93 105.19 101.76 1kfk n GLY 193 Ca 0.01 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1kfk n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kfk s PRO 194 N 0.00 3.80 0.55 1.61 0.04 -1.20 -4.52 135.00 135.28 1kfk s PRO 194 Ca 0.00 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 1kfk s PRO 194 Cb 0.00 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1kfk s PRO 194 CO 0.00 -0.44 1.13 1.58 0.04 0.00 0.00 177.00 179.31 1kfk n HIS 195 N -0.91 1.46 0.67 0.56 -0.00 -0.79 -1.68 115.22 114.53 1kfk n HIS 195 Ca 0.09 0.45 0.06 0.00 -0.00 0.00 0.00 57.72 58.32 1kfk n HIS 195 Cb 0.52 -2.24 0.17 0.00 -0.00 0.00 0.00 29.99 28.44 1kfk n HIS 195 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kfk n PRO 196 N -0.85 2.07 -0.16 1.57 -0.04 -1.26 -4.88 135.00 131.45 1kfk n PRO 196 Ca 0.12 -1.40 -0.02 0.00 -0.04 0.00 0.00 63.50 62.16 1kfk n PRO 196 Cb 0.45 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 1kfk n PRO 196 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1kfk h TYR 197 N 2.17 0.20 -0.94 0.54 0.05 -1.61 0.15 116.97 117.53 1kfk h TYR 197 Ca 0.00 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1kfk h TYR 197 Cb 0.64 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.31 1kfk h TYR 197 CO 0.31 0.02 0.62 -1.35 -1.05 0.00 0.00 178.16 176.71 1kfk h PRO 198 N 0.27 1.16 -0.13 4.88 0.11 -1.76 -0.39 132.00 136.14 1kfk h PRO 198 Ca 0.25 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 1kfk h PRO 198 Cb 0.32 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1kfk h PRO 198 CO -0.31 0.77 -0.29 1.15 -0.21 0.00 0.00 178.00 179.11 1kfk h THR 199 N 1.19 1.37 -0.64 -1.15 2.02 -1.78 -3.01 112.91 110.92 1kfk h THR 199 Ca 0.37 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 1kfk h THR 199 Cb 0.00 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1kfk h THR 199 CO -0.11 0.46 0.25 0.40 0.37 0.00 0.00 175.52 176.90 1kfk h ILE 200 N 0.01 1.24 -0.22 3.11 2.04 -0.39 -2.47 117.51 120.82 1kfk h ILE 200 Ca 0.00 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 1kfk h ILE 200 Cb 0.89 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1kfk h ILE 200 CO 0.06 0.29 -0.31 0.58 0.00 0.00 0.00 178.15 178.78 1kfk h VAL 201 N 0.90 1.28 0.26 1.67 2.07 -1.15 -1.90 116.25 119.38 1kfk h VAL 201 Ca 0.21 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1kfk h VAL 201 Cb 0.21 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1kfk h VAL 201 CO -0.02 0.43 -0.12 -0.09 0.02 0.00 0.00 177.57 177.79 1kfk h ARG 202 N 0.39 -0.34 -0.60 1.57 2.43 -1.38 -2.33 114.38 114.13 1kfk h ARG 202 Ca 0.05 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1kfk h ARG 202 Cb 0.74 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 1kfk h ARG 202 CO 0.06 -0.12 0.40 0.93 -1.51 0.00 0.00 179.97 179.73 1kfk h GLU 203 N -0.50 0.55 -0.17 0.20 4.39 -1.33 0.24 114.58 117.95 1kfk h GLU 203 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1kfk h GLU 203 Cb 0.37 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1kfk h GLU 203 CO 0.06 0.36 0.00 1.19 -1.16 0.00 0.00 179.01 179.46 1kfk n PHE 204 N -4.48 0.22 -0.41 4.33 3.72 -0.72 -3.44 117.46 116.68 1kfk n PHE 204 Ca 0.08 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1kfk n PHE 204 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1kfk n PHE 204 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1kfk n GLN 205 N 0.04 0.29 0.07 -1.08 1.13 -0.01 -2.99 117.38 114.83 1kfk n GLN 205 Ca 0.11 -0.19 0.10 0.00 -1.94 0.00 0.00 57.00 55.08 1kfk n GLN 205 Cb 0.21 -0.64 0.42 0.00 0.11 0.00 0.00 30.24 30.34 1kfk n GLN 205 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1kfk n ARG 206 N -0.10 0.11 0.30 -1.09 1.85 0.62 -2.33 116.66 116.03 1kfk n ARG 206 Ca 0.00 0.32 0.19 0.00 -1.00 0.00 0.00 57.85 57.36 1kfk n ARG 206 Cb 0.10 -1.70 0.93 0.00 -1.05 0.00 0.00 32.46 30.73 1kfk n ARG 206 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kfk h MET 207 N 0.00 0.00 0.28 2.89 -0.00 -1.81 -1.77 114.93 114.51 1kfk h MET 207 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1kfk h MET 207 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1kfk h MET 207 CO 0.00 0.02 -0.13 0.82 -0.00 0.00 0.00 176.91 177.62 1kfk h ILE 208 N 0.00 0.75 -0.32 -0.10 2.04 -1.63 -0.97 117.51 117.28 1kfk h ILE 208 Ca -0.00 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 1kfk h ILE 208 Cb 0.27 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1kfk h ILE 208 CO 0.00 0.03 -0.35 1.23 0.00 0.00 0.00 178.15 179.06 1kfk h GLY 209 N -0.43 0.80 0.98 5.37 0.00 -0.75 -2.17 103.07 106.87 1kfk h GLY 209 Ca -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1kfk h GLY 209 CO 0.06 0.70 0.18 0.83 0.00 0.00 0.00 176.54 178.31 1kfk h GLU 210 N 0.61 0.79 -0.43 4.80 5.08 -1.26 -1.21 114.58 122.96 1kfk h GLU 210 Ca 0.06 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1kfk h GLU 210 Cb 0.89 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1kfk h GLU 210 CO 0.08 0.71 0.03 0.93 -1.00 0.00 0.00 179.01 179.76 1kfk h GLU 211 N 0.70 0.74 -0.93 2.33 5.08 -1.17 -2.76 114.58 118.57 1kfk h GLU 211 Ca 0.17 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1kfk h GLU 211 Cb 0.24 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1kfk h GLU 211 CO -0.01 0.80 0.60 1.15 -1.00 0.00 0.00 179.01 180.55 1kfk h THR 212 N 0.59 1.17 0.02 1.13 2.02 -1.14 0.53 112.91 117.23 1kfk h THR 212 Ca 0.13 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1kfk h THR 212 Cb 0.45 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1kfk h THR 212 CO 0.02 0.22 -0.01 0.50 0.37 0.00 0.00 175.52 176.61 1kfk h LYS 213 N 1.18 -0.03 -0.82 6.66 3.64 -1.12 -0.61 116.57 125.48 1kfk h LYS 213 Ca 0.36 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1kfk h LYS 213 Cb -0.02 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1kfk h LYS 213 CO -0.11 0.17 0.39 0.00 -2.27 0.00 0.00 179.45 177.62 1kfk h ALA 214 N 0.75 1.15 -0.34 5.00 0.00 -1.23 -0.27 119.26 124.32 1kfk h ALA 214 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1kfk h ALA 214 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1kfk h ALA 214 CO 0.01 0.65 -0.36 1.96 0.00 0.00 0.00 179.25 181.50 1kfk h GLN 215 N 1.16 0.85 -0.03 0.00 4.20 -0.82 -1.07 115.11 119.40 1kfk h GLN 215 Ca 0.28 -0.45 -0.16 0.00 0.06 0.00 0.00 58.65 58.38 1kfk h GLN 215 Cb 0.12 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1kfk h GLN 215 CO -0.04 1.09 -0.69 0.97 -0.67 0.00 0.00 178.83 179.49 1kfk h ILE 216 N 0.64 1.45 -0.36 2.54 6.09 -0.95 -1.52 117.51 125.39 1kfk h ILE 216 Ca 0.05 -2.25 -0.10 0.00 -1.37 0.00 0.00 64.86 61.19 1kfk h ILE 216 Cb 0.94 2.20 -0.02 0.00 0.47 0.00 0.00 36.82 40.42 1kfk h ILE 216 CO 0.09 0.65 -0.18 0.25 -3.07 0.00 0.00 178.15 175.89 1kfk h LEU 217 N 0.10 0.68 -0.16 2.19 5.85 -0.96 0.31 115.31 123.33 1kfk h LEU 217 Ca -0.02 -0.22 -0.23 0.00 0.84 0.00 0.00 57.88 58.26 1kfk h LEU 217 Cb 1.23 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.09 1kfk h LEU 217 CO 0.10 0.86 -0.82 -0.78 -0.34 0.00 0.00 178.44 177.46 1kfk h ASP 218 N 0.61 0.90 0.66 1.25 3.58 -0.94 -1.19 116.42 121.28 1kfk h ASP 218 Ca 0.10 -0.61 -0.20 0.00 0.42 0.00 0.00 57.03 56.73 1kfk h ASP 218 Cb 0.64 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1kfk h ASP 218 CO 0.05 1.41 -1.48 0.11 -2.88 0.00 0.00 179.24 176.45 1kfk h LYS 219 N 0.50 0.00 0.00 0.28 1.79 -1.13 -3.40 116.57 114.60 1kfk h LYS 219 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1kfk h LYS 219 Cb 1.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1kfk h LYS 219 CO 0.17 0.35 -0.49 0.39 -1.08 0.00 0.00 179.45 178.78 1kfk n GLU 220 N -2.94 3.64 -1.15 3.15 -0.58 0.11 -5.01 120.64 117.85 1kfk n GLU 220 Ca -0.11 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.57 1kfk n GLU 220 Cb 0.89 -0.75 -0.02 0.00 -0.57 0.00 0.00 31.44 30.99 1kfk n GLU 220 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kfk n GLY 221 N 1.71 0.75 3.48 0.62 0.00 -0.45 -4.97 105.19 106.33 1kfk n GLY 221 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1kfk n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kfk s ARG 222 N -1.98 1.05 0.56 1.61 1.70 -1.26 -4.98 118.95 115.65 1kfk s ARG 222 Ca 0.00 -0.40 -0.18 0.00 -0.47 0.00 0.00 55.73 54.68 1kfk s ARG 222 Cb 0.00 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 1kfk s ARG 222 CO 0.00 -0.46 1.07 -0.51 -1.08 0.00 0.00 175.30 174.32 1kfk s LEU 223 N -2.62 3.63 0.78 -1.89 1.43 -1.26 -4.24 118.68 114.51 1kfk s LEU 223 Ca 0.04 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1kfk s LEU 223 Cb -0.01 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.72 1kfk s LEU 223 CO -0.10 -1.10 1.10 -2.16 0.23 0.00 0.00 176.35 174.33 1kfk s PRO 224 N -3.70 2.14 0.41 1.29 0.04 -1.26 -4.92 135.00 128.99 1kfk s PRO 224 Ca 0.66 1.27 0.25 0.00 0.04 0.00 0.00 61.00 63.22 1kfk s PRO 224 Cb -0.18 -1.88 0.56 0.00 0.04 0.00 0.00 34.50 33.05 1kfk s PRO 224 CO 0.31 -1.75 1.69 -0.44 0.04 0.00 0.00 177.00 176.85 1kfk h ASP 225 N -1.08 0.00 -2.92 6.66 3.32 -0.82 -3.42 116.42 118.16 1kfk h ASP 225 Ca -0.44 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.71 1kfk h ASP 225 Cb 1.24 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.51 1kfk h ASP 225 CO 0.50 0.00 0.59 0.00 -1.72 0.00 0.00 179.24 178.61 1kfk s ALA 226 N -3.25 -2.05 -0.09 3.45 0.00 -1.17 -1.94 121.76 116.72 1kfk s ALA 226 Ca 0.07 1.81 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1kfk s ALA 226 Cb 0.07 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1kfk s ALA 226 CO 0.63 -0.20 -0.10 0.14 0.00 0.00 0.00 175.76 176.24 1kfk s VAL 227 N 0.11 3.43 -0.07 0.00 -7.23 -0.29 -1.68 120.40 114.67 1kfk s VAL 227 Ca 0.04 -0.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1kfk s VAL 227 Cb -0.05 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1kfk s VAL 227 CO -0.09 0.56 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.47 1kfk s ILE 228 N -0.32 1.44 0.00 -0.62 1.01 0.76 -1.39 121.20 122.08 1kfk s ILE 228 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1kfk s ILE 228 Cb -0.13 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1kfk s ILE 228 CO 0.02 0.42 0.07 0.00 0.00 0.00 0.00 174.94 175.46 1kfk s ALA 229 N 0.45 -0.15 0.57 9.38 0.00 -0.67 -1.01 121.76 130.33 1kfk s ALA 229 Ca -0.14 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 1kfk s ALA 229 Cb -0.15 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1kfk s ALA 229 CO 0.05 -0.16 1.04 0.00 0.00 0.00 0.00 175.76 176.69 1kfk s VAL 231 N -2.44 1.33 -0.02 0.00 1.01 0.11 -4.17 120.40 116.22 1kfk s VAL 231 Ca 0.63 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kfk s VAL 231 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1kfk s VAL 231 CO 0.35 -0.37 -0.05 0.61 0.00 0.00 0.00 175.10 175.64 1kfk n GLY 232 N 4.70 -0.47 0.07 4.51 0.00 -1.26 -4.49 105.19 108.25 1kfk n GLY 232 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1kfk n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfk n GLY 233 N 1.55 -0.64 0.00 -0.02 0.00 -1.26 -4.50 105.19 100.32 1kfk n GLY 233 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1kfk n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfk n GLY 234 N 2.19 1.25 0.09 -0.02 0.00 -1.26 -0.96 105.19 106.48 1kfk n GLY 234 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1kfk n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfk h SER 235 N 0.00 0.17 0.07 1.61 4.64 -1.91 -2.02 113.55 116.11 1kfk h SER 235 Ca 0.00 -0.61 -0.12 0.00 -0.47 0.00 0.00 61.79 60.59 1kfk h SER 235 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1kfk h SER 235 CO 0.00 0.75 -0.40 -0.55 -0.87 0.00 0.00 176.83 175.76 1kfk h ASN 236 N -0.39 0.44 -0.03 4.97 -1.07 -1.97 -1.43 115.58 116.11 1kfk h ASN 236 Ca -0.00 -0.19 -0.01 0.00 0.07 0.00 0.00 56.30 56.17 1kfk h ASN 236 Cb 0.73 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1kfk h ASN 236 CO 0.03 0.80 0.00 0.00 0.07 0.00 0.00 177.43 178.32 1kfk h ALA 237 N 1.23 0.04 -0.30 4.14 0.00 -1.72 -1.83 119.26 120.82 1kfk h ALA 237 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1kfk h ALA 237 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1kfk h ALA 237 CO 0.07 -0.29 -0.17 0.97 0.00 0.00 0.00 179.25 179.82 1kfk h ILE 238 N -0.24 1.25 -0.68 0.00 6.09 -1.36 0.27 117.51 122.84 1kfk h ILE 238 Ca 0.01 -1.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.36 1kfk h ILE 238 Cb 0.32 1.21 -0.03 0.00 0.47 0.00 0.00 36.82 38.79 1kfk h ILE 238 CO 0.00 0.37 0.44 1.23 -3.07 0.00 0.00 178.15 177.12 1kfk h GLY 239 N 0.97 0.97 0.76 8.18 0.00 -1.09 0.75 103.07 113.61 1kfk h GLY 239 Ca 0.08 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1kfk h GLY 239 CO 0.04 0.36 -0.67 1.98 0.00 0.00 0.00 176.54 178.25 1kfk h MET 240 N 0.93 0.38 0.46 4.80 1.85 -0.77 -2.01 114.93 120.57 1kfk h MET 240 Ca 0.25 -0.46 -0.02 0.00 -0.61 0.00 0.00 59.70 58.85 1kfk h MET 240 Cb -0.09 0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1kfk h MET 240 CO -0.05 1.15 -0.22 0.74 -0.40 0.00 0.00 176.91 178.12 1kfk h PHE 241 N -0.18 -0.57 -0.04 1.39 0.04 -0.58 -3.37 116.94 113.63 1kfk h PHE 241 Ca -0.10 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1kfk h PHE 241 Cb 1.41 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.75 1kfk h PHE 241 CO 0.16 -0.28 -0.02 0.00 -0.60 0.00 0.00 178.31 177.57 1kfk n ALA 242 N -2.46 -0.03 0.38 2.45 0.00 0.22 0.14 120.51 121.22 1kfk n ALA 242 Ca -0.11 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1kfk n ALA 242 Cb 0.29 0.01 0.30 0.00 0.00 0.00 0.00 19.45 20.05 1kfk n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kfk n ASP 243 N -3.11 0.13 -0.00 0.00 2.03 -1.26 -2.43 116.55 111.91 1kfk n ASP 243 Ca 0.00 0.54 0.09 0.00 0.52 0.00 0.00 54.79 55.94 1kfk n ASP 243 Cb 0.01 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.72 1kfk n ASP 243 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1kfk n PHE 244 N -1.65 0.00 -0.28 -0.67 3.72 0.36 -4.60 117.46 114.33 1kfk n PHE 244 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.52 1kfk n PHE 244 Cb 0.14 -0.15 0.22 0.00 -0.94 0.00 0.00 39.48 38.76 1kfk n PHE 244 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1kfk h ILE 245 N 0.00 0.29 0.00 4.37 2.04 -1.09 0.34 117.51 123.46 1kfk h ILE 245 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1kfk h ILE 245 Cb 0.60 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1kfk h ILE 245 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.76 1kfk n ASN 246 N -5.32 0.00 -4.43 1.72 5.03 -1.26 -4.32 115.26 106.68 1kfk n ASN 246 Ca 0.18 0.31 -0.44 0.00 0.87 0.00 0.00 54.58 55.49 1kfk n ASN 246 Cb 0.59 -0.42 -0.01 0.00 -1.02 0.00 0.00 39.78 38.91 1kfk n ASN 246 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1kfk s ASP 247 N -2.85 6.93 0.48 6.41 1.01 0.12 -4.89 116.67 123.88 1kfk s ASP 247 Ca 0.15 -2.72 0.25 0.00 0.71 0.00 0.00 52.55 50.93 1kfk s ASP 247 Cb 0.15 -2.36 1.28 0.00 1.01 0.00 0.00 42.92 43.01 1kfk s ASP 247 CO 0.39 -0.78 1.86 0.71 0.21 0.00 0.00 175.17 177.57 1kfk h THR 248 N 4.94 0.60 0.00 -1.27 1.35 -1.79 0.30 112.91 117.04 1kfk h THR 248 Ca 0.23 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1kfk h THR 248 Cb 0.94 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1kfk h THR 248 CO 1.12 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 174.89 1kfk n SER 249 N -4.40 0.21 -4.53 5.36 3.41 -1.26 -4.63 113.62 107.77 1kfk n SER 249 Ca 0.20 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.93 1kfk n SER 249 Cb 0.85 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1kfk n SER 249 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1kfk s VAL 250 N -3.08 5.02 0.32 -3.33 1.01 0.09 -4.81 120.40 115.62 1kfk s VAL 250 Ca 0.08 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1kfk s VAL 250 Cb 0.11 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1kfk s VAL 250 CO 0.37 -0.32 1.18 -0.83 0.00 0.00 0.00 175.10 175.50 1kfk s GLY 251 N 1.81 3.00 -0.22 4.51 0.00 -0.82 -4.92 107.32 110.69 1kfk s GLY 251 Ca 0.17 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 1kfk s GLY 251 CO 0.14 1.63 -0.12 1.08 0.00 0.00 0.00 173.10 175.84 1kfk s LEU 252 N -1.78 2.71 -0.17 0.66 1.43 -1.26 -1.14 118.68 119.13 1kfk s LEU 252 Ca 0.48 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1kfk s LEU 252 Cb -0.34 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1kfk s LEU 252 CO 0.44 -0.06 -0.16 -0.63 0.23 0.00 0.00 176.35 176.18 1kfk s ILE 253 N 1.33 1.81 -0.12 -0.59 1.01 -0.48 -0.77 121.20 123.39 1kfk s ILE 253 Ca 0.03 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1kfk s ILE 253 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1kfk s ILE 253 CO -0.08 0.43 0.12 -0.83 0.00 0.00 0.00 174.94 174.58 1kfk s GLY 254 N 1.37 2.12 -0.23 6.18 0.00 0.14 -1.66 107.32 115.24 1kfk s GLY 254 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1kfk s GLY 254 CO -0.11 -0.37 -0.13 0.14 0.00 0.00 0.00 173.10 172.62 1kfk s VAL 255 N -0.93 2.20 0.28 1.40 1.01 0.04 -1.27 120.40 123.13 1kfk s VAL 255 Ca 0.14 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1kfk s VAL 255 Cb -0.12 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1kfk s VAL 255 CO 0.03 0.17 0.58 -1.61 0.00 0.00 0.00 175.10 174.28 1kfk s GLU 256 N 1.18 3.74 0.09 2.72 2.02 0.22 0.06 118.70 128.73 1kfk s GLU 256 Ca -0.04 0.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.85 1kfk s GLU 256 Cb -0.17 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 1kfk s GLU 256 CO -0.07 0.23 1.22 -1.25 0.02 0.00 0.00 175.26 175.41 1kfk s PRO 257 N -3.23 4.43 0.00 0.39 0.04 -1.25 -2.16 135.00 133.21 1kfk s PRO 257 Ca 0.47 1.82 0.26 0.00 0.04 0.00 0.00 61.00 63.60 1kfk s PRO 257 Cb -0.11 -3.32 0.75 0.00 0.04 0.00 0.00 34.50 31.87 1kfk s PRO 257 CO 0.26 -0.26 1.57 0.41 0.04 0.00 0.00 177.00 179.02 1kfk n GLY 258 N 3.11 -0.33 7.00 0.56 0.00 0.24 -1.71 105.19 114.06 1kfk n GLY 258 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1kfk n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfk n GLY 259 N 1.30 3.06 0.00 -0.02 0.00 -1.26 -0.55 105.19 107.72 1kfk n GLY 259 Ca 0.14 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1kfk n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kfk n HIS 260 N 14.00 0.00 0.00 1.61 8.25 -0.50 -1.33 115.22 137.25 1kfk n HIS 260 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1kfk n HIS 260 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1kfk n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfk n GLY 261 N 1.06 4.56 0.24 -1.41 0.00 0.29 -4.85 105.19 105.07 1kfk n GLY 261 Ca 0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1kfk n GLY 261 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kfk h ILE 262 N 0.00 0.50 0.00 -0.61 1.08 -1.87 -1.58 117.51 115.03 1kfk h ILE 262 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1kfk h ILE 262 Cb 0.00 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1kfk h ILE 262 CO 0.00 0.00 0.02 -1.84 -0.69 0.00 0.00 178.15 175.64 1kfk n GLU 263 N -5.34 0.12 0.10 2.37 0.00 -1.26 -0.95 120.64 115.68 1kfk n GLU 263 Ca -0.02 0.61 0.12 0.00 0.00 0.00 0.00 57.16 57.88 1kfk n GLU 263 Cb 0.25 -1.92 0.22 0.00 0.00 0.00 0.00 31.44 30.00 1kfk n GLU 263 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1kfk h THR 264 N 0.00 0.00 0.00 3.84 1.35 -1.61 -3.47 112.91 113.02 1kfk h THR 264 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1kfk h THR 264 Cb 0.05 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1kfk h THR 264 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1kfk n GLY 265 N 1.28 1.80 3.30 5.82 0.00 -0.12 -4.94 105.19 112.33 1kfk n GLY 265 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1kfk n GLY 265 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfk s GLU 266 N -0.08 3.90 0.00 1.61 2.02 -1.26 -4.96 118.70 119.93 1kfk s GLU 266 Ca 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 54.97 51.98 1kfk s GLU 266 Cb 0.00 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.80 1kfk s GLU 266 CO 0.00 -1.25 0.00 -2.39 0.02 0.00 0.00 175.26 171.64 1kfk n HIS 267 N 3.00 -0.47 -2.70 1.61 1.44 -1.26 -1.41 115.22 115.44 1kfk n HIS 267 Ca 0.20 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 1kfk n HIS 267 Cb 0.41 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.58 1kfk n HIS 267 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1kfk n GLY 268 N 0.00 1.56 2.50 -1.39 0.00 -0.69 -1.15 105.19 106.02 1kfk n GLY 268 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1kfk n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfk n ALA 269 N -0.41 4.20 0.16 4.61 0.00 -1.21 -3.89 120.51 123.97 1kfk n ALA 269 Ca 0.04 -4.77 0.01 0.00 0.00 0.00 0.00 53.44 48.71 1kfk n ALA 269 Cb 0.83 -0.97 0.28 0.00 0.00 0.00 0.00 19.45 19.60 1kfk n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1kfk h PRO 270 N 4.13 0.02 -0.65 0.00 0.13 -1.88 0.14 132.00 133.89 1kfk h PRO 270 Ca 0.20 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1kfk h PRO 270 Cb 0.64 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 1kfk h PRO 270 CO 0.87 0.48 0.41 1.25 -0.23 0.00 0.00 178.00 180.77 1kfk h LEU 271 N 0.02 0.68 0.00 1.56 6.46 -1.90 0.19 115.31 122.33 1kfk h LEU 271 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1kfk h LEU 271 Cb 0.82 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1kfk h LEU 271 CO 0.06 0.48 -1.08 0.29 -0.62 0.00 0.00 178.44 177.57 1kfk n LYS 272 N -4.68 1.35 -0.98 1.25 4.76 -1.21 -4.64 118.16 114.01 1kfk n LYS 272 Ca 0.06 -0.05 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1kfk n LYS 272 Cb 0.06 -1.29 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 1kfk n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kfk n HIS 273 N -1.61 0.00 -2.09 2.13 8.25 0.49 -5.07 115.22 117.32 1kfk n HIS 273 Ca 0.01 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1kfk n HIS 273 Cb 0.31 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1kfk n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfk n GLY 274 N 0.02 5.15 3.21 -1.41 0.00 0.67 -4.72 105.19 108.10 1kfk n GLY 274 Ca 0.06 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1kfk n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfk s ARG 275 N 2.06 0.35 0.27 1.61 3.52 -0.81 -4.88 118.95 121.07 1kfk s ARG 275 Ca 0.00 0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.90 1kfk s ARG 275 Cb 0.00 0.04 -0.13 0.00 -1.56 0.00 0.00 34.95 33.30 1kfk s ARG 275 CO 0.00 -0.12 1.43 0.28 -0.81 0.00 0.00 175.30 176.08 1kfk n VAL 276 N 3.72 1.13 -3.65 7.11 0.31 -1.26 -0.75 118.33 124.94 1kfk n VAL 276 Ca -0.20 -0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 1kfk n VAL 276 Cb 0.56 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 1kfk n VAL 276 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfk n GLY 277 N 1.94 2.57 2.92 2.92 0.00 -0.55 -4.83 105.19 110.16 1kfk n GLY 277 Ca 0.10 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1kfk n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfk s ILE 278 N -2.59 1.58 0.07 -0.61 1.01 -1.26 -1.78 121.20 117.62 1kfk s ILE 278 Ca 0.09 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.09 1kfk s ILE 278 Cb -0.01 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1kfk s ILE 278 CO 0.07 -0.29 0.42 -0.47 0.00 0.00 0.00 174.94 174.67 1kfk s TYR 279 N 1.33 -0.27 -1.46 3.97 5.04 -0.59 -4.91 117.35 120.47 1kfk s TYR 279 Ca -0.00 0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.69 1kfk s TYR 279 Cb -0.19 0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.41 1kfk s TYR 279 CO -0.10 -0.62 0.75 0.34 -1.34 0.00 0.00 175.55 174.58 1kfk n PHE 280 N 0.26 -2.14 -1.26 4.97 7.35 -1.26 -2.07 117.46 123.31 1kfk n PHE 280 Ca -0.18 0.67 -0.08 0.00 -0.76 0.00 0.00 57.45 57.10 1kfk n PHE 280 Cb 0.61 -4.05 -0.03 0.00 0.35 0.00 0.00 39.48 36.36 1kfk n PHE 280 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1kfk n GLY 281 N -1.54 0.96 3.28 7.13 0.00 -1.23 -3.47 105.19 110.32 1kfk n GLY 281 Ca -0.03 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1kfk n GLY 281 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1kfk s MET 282 N -2.73 0.95 -0.37 1.61 0.23 -0.88 -1.64 119.30 116.47 1kfk s MET 282 Ca 0.00 -0.67 -0.15 0.00 -1.03 0.00 0.00 55.69 53.84 1kfk s MET 282 Cb 0.00 0.41 -0.00 0.00 -1.53 0.00 0.00 34.83 33.71 1kfk s MET 282 CO 0.00 -0.34 0.32 0.21 -2.03 0.00 0.00 175.02 173.17 1kfk s LYS 283 N -3.40 3.36 0.18 3.16 2.20 0.63 -1.54 119.74 124.33 1kfk s LYS 283 Ca 0.01 -0.67 -0.23 0.00 -0.36 0.00 0.00 55.97 54.72 1kfk s LYS 283 Cb 0.02 -3.86 0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1kfk s LYS 283 CO -0.09 -0.58 0.70 0.00 -0.36 0.00 0.00 175.35 175.01 1kfk s ALA 284 N 1.86 -1.51 0.32 3.13 0.00 -0.73 -0.67 121.76 124.16 1kfk s ALA 284 Ca 0.08 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1kfk s ALA 284 Cb -0.17 0.81 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 1kfk s ALA 284 CO 0.11 -0.87 1.51 -1.25 0.00 0.00 0.00 175.76 175.26 1kfk s PRO 285 N -3.70 4.16 0.23 0.00 0.04 -1.26 -1.49 135.00 132.98 1kfk s PRO 285 Ca 0.05 2.50 0.07 0.00 0.04 0.00 0.00 61.00 63.67 1kfk s PRO 285 Cb -0.03 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1kfk s PRO 285 CO -0.05 -0.53 -0.10 -1.64 0.04 0.00 0.00 177.00 174.72 1kfk s MET 286 N -1.18 1.38 -0.50 4.56 -1.94 0.07 -3.85 119.30 117.85 1kfk s MET 286 Ca 0.58 -1.65 -0.20 0.00 -1.71 0.00 0.00 55.69 52.71 1kfk s MET 286 Cb -0.46 -1.04 0.05 0.00 2.01 0.00 0.00 34.83 35.39 1kfk s MET 286 CO 0.53 0.10 0.64 -1.64 -0.01 0.00 0.00 175.02 174.65 1kfk s MET 287 N -3.70 3.16 0.10 2.03 -1.94 -0.41 -1.93 119.30 116.62 1kfk s MET 287 Ca 0.25 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.36 1kfk s MET 287 Cb 0.02 -4.07 0.01 0.00 2.01 0.00 0.00 34.83 32.80 1kfk s MET 287 CO 0.08 -1.19 0.25 1.14 -0.01 0.00 0.00 175.02 175.29 1kfk s GLN 288 N 2.74 0.92 0.84 2.03 -2.07 -1.26 0.09 119.66 122.94 1kfk s GLN 288 Ca 0.17 -0.90 -0.12 0.00 -1.82 0.00 0.00 55.36 52.70 1kfk s GLN 288 Cb -0.18 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 32.22 1kfk s GLN 288 CO 0.14 -0.31 1.11 0.95 -1.32 0.00 0.00 175.29 175.85 1kfk s THR 289 N -3.85 2.68 0.42 3.63 -4.23 -0.25 -4.89 115.64 109.15 1kfk s THR 289 Ca 0.05 0.22 0.39 0.00 -1.18 0.00 0.00 61.69 61.17 1kfk s THR 289 Cb 0.04 -2.96 0.39 0.00 1.34 0.00 0.00 72.50 71.31 1kfk s THR 289 CO -0.11 -0.29 2.19 0.00 -0.54 0.00 0.00 174.62 175.87 1kfk h ALA 290 N -1.24 1.00 0.00 3.99 0.00 -2.02 -1.32 119.26 119.67 1kfk h ALA 290 Ca -0.48 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1kfk h ALA 290 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1kfk h ALA 290 CO 0.60 0.00 -0.83 -0.44 0.00 0.00 0.00 179.25 178.58 1kfk h ASP 291 N 0.00 0.00 0.00 0.00 5.19 -2.06 -3.48 116.42 116.08 1kfk h ASP 291 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kfk h ASP 291 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1kfk h ASP 291 CO 0.00 0.77 0.00 0.61 -3.12 0.00 0.00 179.24 177.50 1kfk n GLY 292 N 1.31 1.24 3.80 2.75 0.00 -0.50 -5.10 105.19 108.70 1kfk n GLY 292 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1kfk n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kfk s GLN 293 N -0.52 4.31 -0.07 1.61 -1.52 -1.26 -4.84 119.66 117.36 1kfk s GLN 293 Ca 0.00 0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 53.99 1kfk s GLN 293 Cb 0.00 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1kfk s GLN 293 CO 0.00 0.56 1.05 0.42 -0.25 0.00 0.00 175.29 177.07 1kfk s ILE 294 N -1.22 4.65 0.42 1.08 -1.09 -1.26 -1.09 121.20 122.69 1kfk s ILE 294 Ca 0.34 1.93 0.08 0.00 -2.23 0.00 0.00 60.65 60.77 1kfk s ILE 294 Cb -0.20 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.45 1kfk s ILE 294 CO 0.22 0.03 0.52 -1.61 -1.23 0.00 0.00 174.94 172.87 1kfk s GLU 295 N 1.87 2.75 0.46 2.79 2.02 0.11 -4.94 118.70 123.76 1kfk s GLU 295 Ca 0.51 -1.32 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 1kfk s GLU 295 Cb -0.20 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 1kfk s GLU 295 CO 0.21 -0.25 0.80 -1.21 0.02 0.00 0.00 175.26 174.83 1kfk s GLU 296 N -4.30 3.67 -0.25 1.61 2.02 -1.26 -4.69 118.70 115.50 1kfk s GLU 296 Ca 0.53 0.39 -0.10 0.00 0.02 0.00 0.00 54.97 55.81 1kfk s GLU 296 Cb -0.08 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1kfk s GLU 296 CO 0.32 -0.16 0.14 0.45 0.02 0.00 0.00 175.26 176.03 1kfk s SER 297 N -3.64 5.84 -0.06 -0.19 0.15 -1.26 -4.96 113.70 109.58 1kfk s SER 297 Ca 0.50 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.12 1kfk s SER 297 Cb -0.10 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1kfk s SER 297 CO 0.39 0.03 0.12 -0.47 1.20 0.00 0.00 173.24 174.51 1kfk s TYR 298 N 1.29 3.47 -0.20 3.44 5.04 -0.30 -4.62 117.35 125.47 1kfk s TYR 298 Ca 0.07 0.38 -0.30 0.00 -2.44 0.00 0.00 57.07 54.78 1kfk s TYR 298 Cb -0.14 -1.85 0.14 0.00 0.35 0.00 0.00 41.96 40.46 1kfk s TYR 298 CO 0.06 0.64 1.09 0.45 -1.34 0.00 0.00 175.55 176.45 1kfk s SER 299 N -1.41 -0.29 0.49 4.32 0.15 -1.26 -2.66 113.70 113.05 1kfk s SER 299 Ca 0.20 0.33 0.15 0.00 0.70 0.00 0.00 55.95 57.33 1kfk s SER 299 Cb -0.12 0.26 1.18 0.00 -1.71 0.00 0.00 66.02 65.62 1kfk s SER 299 CO 0.10 -0.25 2.10 -0.29 1.20 0.00 0.00 173.24 176.09 1kfk h ILE 300 N 2.50 1.04 -3.59 6.45 2.10 -1.95 -3.38 117.51 120.69 1kfk h ILE 300 Ca -0.16 -0.20 -0.63 0.00 1.08 0.00 0.00 64.86 64.94 1kfk h ILE 300 Cb 1.17 1.10 -0.14 0.00 -1.09 0.00 0.00 36.82 37.86 1kfk h ILE 300 CO 0.28 0.06 0.02 -0.94 -1.08 0.00 0.00 178.15 176.48 1kfk s SER 301 N -7.04 6.38 0.47 2.19 1.04 -1.26 -4.95 113.70 110.53 1kfk s SER 301 Ca -0.05 0.18 0.18 0.00 0.48 0.00 0.00 55.95 56.74 1kfk s SER 301 Cb 0.17 -2.29 1.16 0.00 0.10 0.00 0.00 66.02 65.15 1kfk s SER 301 CO 0.68 -0.46 1.99 0.00 0.98 0.00 0.00 173.24 176.42 1kfk h ALA 302 N 8.34 2.17 0.00 5.32 0.00 -1.99 -2.72 119.26 130.38 1kfk h ALA 302 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1kfk h ALA 302 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kfk h ALA 302 CO 0.78 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1kfk n GLY 303 N -1.56 -1.00 2.23 0.00 0.00 -1.26 -2.87 105.19 100.73 1kfk n GLY 303 Ca 0.10 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1kfk n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kfk n LEU 304 N -1.53 6.86 -0.54 0.99 4.77 -1.03 -4.62 117.00 121.90 1kfk n LEU 304 Ca 0.03 -4.41 0.14 0.00 -0.03 0.00 0.00 56.01 51.74 1kfk n LEU 304 Cb 0.17 -0.79 0.46 0.00 -2.33 0.00 0.00 43.42 40.93 1kfk n LEU 304 CO 0.13 1.65 0.83 -0.90 -1.33 0.00 0.00 177.39 177.77 1kfk n ASP 305 N -0.86 1.70 -4.61 -1.43 5.75 -1.14 -4.77 116.55 111.19 1kfk n ASP 305 Ca 0.57 -1.56 -0.43 0.00 -0.01 0.00 0.00 54.79 53.36 1kfk n ASP 305 Cb 0.77 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.83 1kfk n ASP 305 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1kfk s PHE 306 N -2.01 1.86 -1.04 2.11 5.36 -1.26 -4.00 117.98 119.00 1kfk s PHE 306 Ca 0.36 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 1kfk s PHE 306 Cb 0.21 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 1kfk s PHE 306 CO 0.33 -3.13 0.17 -0.35 -1.46 0.00 0.00 175.22 170.78 1kfk n PRO 307 N 8.12 0.33 0.00 10.12 -0.04 -1.26 -4.71 135.00 147.57 1kfk n PRO 307 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1kfk n PRO 307 Cb 0.46 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1kfk n PRO 307 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kfk n SER 308 N 0.30 0.00 -3.50 3.54 2.88 -1.26 -1.28 113.62 114.30 1kfk n SER 308 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1kfk n SER 308 Cb 0.08 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1kfk n SER 308 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kfk s VAL 309 N -1.39 0.00 0.41 2.46 0.11 -1.25 -4.72 120.40 116.03 1kfk s VAL 309 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1kfk s VAL 309 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1kfk s VAL 309 CO 0.00 0.00 1.05 0.61 -3.33 0.00 0.00 175.10 173.43 1kfk n GLY 310 N 0.51 -0.08 0.24 6.54 0.00 -0.14 -4.72 105.19 107.54 1kfk n GLY 310 Ca -0.17 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1kfk n GLY 310 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kfk h PRO 311 N 1.65 0.65 -0.31 1.61 0.11 -1.89 -2.76 132.00 131.06 1kfk h PRO 311 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1kfk h PRO 311 Cb 1.33 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1kfk h PRO 311 CO 0.57 0.43 0.06 0.37 -0.21 0.00 0.00 178.00 179.23 1kfk h GLN 312 N 0.67 0.45 -0.28 1.05 4.15 -1.88 -1.65 115.11 117.61 1kfk h GLN 312 Ca 0.25 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 1kfk h GLN 312 Cb 0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1kfk h GLN 312 CO -0.13 0.43 -0.03 0.45 -1.93 0.00 0.00 178.83 177.63 1kfk h HIS 313 N 0.45 0.57 -0.90 3.99 3.86 -1.87 0.25 115.15 121.50 1kfk h HIS 313 Ca 0.11 -0.11 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1kfk h HIS 313 Cb 0.20 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.47 1kfk h HIS 313 CO 0.01 0.69 0.59 0.00 0.86 0.00 0.00 177.93 180.07 1kfk h ALA 314 N 0.81 1.51 -0.03 2.45 0.00 -1.29 0.56 119.26 123.27 1kfk h ALA 314 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kfk h ALA 314 Cb 0.48 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kfk h ALA 314 CO 0.02 0.36 -0.04 -0.92 0.00 0.00 0.00 179.25 178.67 1kfk h TYR 315 N 1.03 0.10 -0.06 0.00 3.20 -1.02 -1.83 116.97 118.40 1kfk h TYR 315 Ca 0.38 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.24 1kfk h TYR 315 Cb 0.18 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1kfk h TYR 315 CO -0.00 0.58 0.04 -0.07 -1.64 0.00 0.00 178.16 177.07 1kfk h LEU 316 N -0.41 0.00 -0.02 2.82 3.38 -0.02 -1.71 115.31 119.34 1kfk h LEU 316 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1kfk h LEU 316 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1kfk h LEU 316 CO 0.01 0.00 -0.22 -1.13 0.09 0.00 0.00 178.44 177.19 1kfk h ASN 317 N 0.00 0.23 -0.51 -0.43 -0.00 -0.83 -1.07 115.58 112.97 1kfk h ASN 317 Ca 0.03 -0.71 0.06 0.00 -0.00 0.00 0.00 56.30 55.67 1kfk h ASN 317 Cb 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 1kfk h ASN 317 CO -0.00 0.90 0.34 0.77 -0.00 0.00 0.00 177.43 179.44 1kfk h SER 318 N -0.43 0.41 0.09 1.15 4.64 -0.45 -0.81 113.55 118.15 1kfk h SER 318 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1kfk h SER 318 Cb 0.92 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1kfk h SER 318 CO 0.04 0.27 -0.11 2.30 -0.87 0.00 0.00 176.83 178.47 1kfk n ILE 319 N -4.47 0.00 -0.94 0.95 -5.35 -0.84 -4.93 119.36 103.77 1kfk n ILE 319 Ca 0.07 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1kfk n ILE 319 Cb 0.23 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1kfk n ILE 319 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kfk n GLY 320 N 1.25 0.62 0.17 3.28 0.00 -0.31 -4.92 105.19 105.27 1kfk n GLY 320 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1kfk n GLY 320 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1kfk h ARG 321 N 1.57 0.26 -5.88 1.61 9.65 -1.46 -3.45 114.38 116.67 1kfk h ARG 321 Ca 0.00 -0.17 -0.51 0.00 -1.10 0.00 0.00 59.98 58.20 1kfk h ARG 321 Cb 0.00 0.02 -0.22 0.00 -1.39 0.00 0.00 29.97 28.39 1kfk h ARG 321 CO 0.00 0.78 -0.81 0.00 2.80 0.00 0.00 179.97 182.74 1kfk s ALA 322 N -3.78 1.59 -0.08 2.80 0.00 -0.68 -4.41 121.76 117.20 1kfk s ALA 322 Ca -0.04 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1kfk s ALA 322 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1kfk s ALA 322 CO 0.80 0.29 -0.15 -0.51 0.00 0.00 0.00 175.76 176.20 1kfk s ASP 323 N -1.86 3.95 -0.08 0.00 1.01 0.05 -4.28 116.67 115.45 1kfk s ASP 323 Ca 0.04 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.07 1kfk s ASP 323 Cb -0.10 -1.15 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 1kfk s ASP 323 CO 0.04 0.27 -0.22 -0.31 0.21 0.00 0.00 175.17 175.15 1kfk s TYR 324 N -0.26 2.56 0.42 4.23 1.51 -1.26 -0.68 117.35 123.87 1kfk s TYR 324 Ca 0.01 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 1kfk s TYR 324 Cb -0.13 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1kfk s TYR 324 CO 0.03 -0.26 0.16 0.14 -1.11 0.00 0.00 175.55 174.51 1kfk s VAL 325 N 0.07 0.44 0.10 0.71 -7.23 -0.40 -4.97 120.40 109.12 1kfk s VAL 325 Ca -0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1kfk s VAL 325 Cb -0.15 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1kfk s VAL 325 CO 0.06 0.00 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.80 1kfk s SER 326 N -3.61 1.56 -0.03 4.85 1.04 -1.26 -0.61 113.70 115.64 1kfk s SER 326 Ca 0.23 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1kfk s SER 326 Cb 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1kfk s SER 326 CO 0.16 -0.23 -0.09 -0.63 0.98 0.00 0.00 173.24 173.43 1kfk s ILE 327 N -2.30 0.80 0.71 -1.02 -1.09 -0.92 -4.84 121.20 112.54 1kfk s ILE 327 Ca 0.05 -0.37 -0.09 0.00 -2.23 0.00 0.00 60.65 58.01 1kfk s ILE 327 Cb -0.04 -0.72 0.04 0.00 -1.58 0.00 0.00 42.46 40.17 1kfk s ILE 327 CO 0.01 0.25 1.06 0.42 -1.23 0.00 0.00 174.94 175.45 1kfk s THR 328 N 0.21 2.81 0.16 2.92 -4.23 -1.26 0.79 115.64 117.03 1kfk s THR 328 Ca -0.03 0.08 -0.19 0.00 -1.18 0.00 0.00 61.69 60.36 1kfk s THR 328 Cb -0.09 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1kfk s THR 328 CO 0.01 -0.27 1.65 0.44 -0.54 0.00 0.00 174.62 175.91 1kfk h ASP 329 N -0.66 -0.54 -0.76 3.99 3.32 -1.52 -0.27 116.42 119.97 1kfk h ASP 329 Ca -0.45 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1kfk h ASP 329 Cb 1.29 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 41.10 1kfk h ASP 329 CO 0.63 -0.20 0.44 0.44 -1.72 0.00 0.00 179.24 178.84 1kfk h ASP 330 N -0.11 0.93 -0.53 6.45 3.32 -1.94 0.19 116.42 124.73 1kfk h ASP 330 Ca 0.17 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1kfk h ASP 330 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1kfk h ASP 330 CO -0.39 0.73 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.41 1kfk h GLU 331 N 1.06 1.01 -0.48 3.56 5.08 -1.76 -1.61 114.58 121.44 1kfk h GLU 331 Ca 0.27 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1kfk h GLU 331 Cb -0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1kfk h GLU 331 CO -0.05 1.06 0.01 0.00 -1.00 0.00 0.00 179.01 179.04 1kfk h ALA 332 N 0.91 0.65 -0.34 3.43 0.00 -0.49 -1.79 119.26 121.63 1kfk h ALA 332 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1kfk h ALA 332 Cb 0.68 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1kfk h ALA 332 CO 0.05 0.44 0.17 -0.07 0.00 0.00 0.00 179.25 179.84 1kfk h LEU 333 N 0.70 0.26 -0.42 0.00 3.38 -0.49 0.38 115.31 119.12 1kfk h LEU 333 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1kfk h LEU 333 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1kfk h LEU 333 CO 0.02 0.19 0.26 -0.08 0.09 0.00 0.00 178.44 178.93 1kfk h GLU 334 N 0.36 0.57 -0.65 1.13 4.22 -1.16 0.22 114.58 119.26 1kfk h GLU 334 Ca 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1kfk h GLU 334 Cb 0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1kfk h GLU 334 CO -0.09 0.40 0.36 0.00 -2.18 0.00 0.00 179.01 177.49 1kfk h ALA 335 N 1.13 1.40 -0.22 2.92 0.00 -0.99 0.97 119.26 124.47 1kfk h ALA 335 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kfk h ALA 335 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1kfk h ALA 335 CO -0.03 0.49 0.08 0.35 0.00 0.00 0.00 179.25 180.15 1kfk h PHE 336 N 0.91 0.34 -0.58 0.00 3.04 -0.14 -1.86 116.94 118.65 1kfk h PHE 336 Ca 0.23 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 1kfk h PHE 336 Cb 0.03 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 1kfk h PHE 336 CO 0.01 0.39 0.05 0.87 -2.02 0.00 0.00 178.31 177.61 1kfk h LYS 337 N 0.20 0.98 -0.70 1.11 1.57 -0.38 -2.92 116.57 116.43 1kfk h LYS 337 Ca 0.07 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1kfk h LYS 337 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1kfk h LYS 337 CO -0.00 0.95 0.45 1.15 -0.57 0.00 0.00 179.45 181.42 1kfk h THR 338 N 0.87 1.19 -0.51 -0.16 2.02 -0.69 -2.27 112.91 113.36 1kfk h THR 338 Ca 0.17 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1kfk h THR 338 Cb 0.47 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1kfk h THR 338 CO 0.02 0.19 -0.13 0.25 0.37 0.00 0.00 175.52 176.21 1kfk h LEU 339 N 0.94 0.97 -0.15 2.58 5.85 -1.29 -1.46 115.31 122.75 1kfk h LEU 339 Ca 0.25 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1kfk h LEU 339 Cb -0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1kfk h LEU 339 CO -0.05 1.10 0.10 0.00 -0.34 0.00 0.00 178.44 179.24 1kfk h ARG 341 N 0.19 0.78 0.00 0.00 2.43 -1.35 -2.60 114.38 113.83 1kfk h ARG 341 Ca 0.06 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1kfk h ARG 341 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1kfk h ARG 341 CO -0.01 1.14 -1.26 0.72 -1.51 0.00 0.00 179.97 179.05 1kfk n HIS 342 N -3.98 0.04 -0.11 2.20 8.25 -0.56 -4.58 115.22 116.49 1kfk n HIS 342 Ca -0.04 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1kfk n HIS 342 Cb 0.64 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1kfk n HIS 342 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1kfk n GLU 343 N -1.77 2.38 -2.34 -0.41 -0.58 -0.58 -4.62 120.64 112.73 1kfk n GLU 343 Ca 0.02 -0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 1kfk n GLU 343 Cb 0.41 -0.31 -0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1kfk n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kfk n GLY 344 N 0.35 -0.15 3.11 0.62 0.00 -0.98 -5.01 105.19 103.13 1kfk n GLY 344 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1kfk n GLY 344 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfk s ILE 345 N -2.70 1.60 -0.49 -0.61 1.01 -1.20 -4.99 121.20 113.82 1kfk s ILE 345 Ca 0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 1kfk s ILE 345 Cb -0.02 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1kfk s ILE 345 CO 0.04 0.46 0.53 -0.63 0.00 0.00 0.00 174.94 175.35 1kfk s ILE 346 N 0.67 5.01 0.39 2.92 1.01 -1.26 -2.87 121.20 127.06 1kfk s ILE 346 Ca -0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1kfk s ILE 346 Cb -0.16 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 1kfk s ILE 346 CO 0.03 -0.71 0.78 -2.16 0.00 0.00 0.00 174.94 172.89 1kfk s PRO 347 N 2.25 3.87 0.48 2.79 0.04 -1.26 -0.53 135.00 142.64 1kfk s PRO 347 Ca 0.11 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.50 1kfk s PRO 347 Cb -0.21 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1kfk s PRO 347 CO 0.10 0.01 1.21 0.00 0.04 0.00 0.00 177.00 178.36 1kfk s ALA 348 N -2.26 2.93 0.60 8.56 0.00 -0.51 -3.18 121.76 127.89 1kfk s ALA 348 Ca 0.53 1.02 0.37 0.00 0.00 0.00 0.00 51.96 53.87 1kfk s ALA 348 Cb -0.10 -3.42 2.07 0.00 0.00 0.00 0.00 23.12 21.67 1kfk s ALA 348 CO 0.26 -0.82 2.29 -0.07 0.00 0.00 0.00 175.76 177.42 1kfk h LEU 349 N 1.88 0.00 0.27 0.00 3.38 -1.90 0.50 115.31 119.43 1kfk h LEU 349 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1kfk h LEU 349 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1kfk h LEU 349 CO 0.59 0.01 -0.13 -0.33 0.09 0.00 0.00 178.44 178.67 1kfk h GLU 350 N 0.00 -0.35 -0.25 1.13 3.07 -1.93 -3.15 114.58 113.10 1kfk h GLU 350 Ca -0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1kfk h GLU 350 Cb 0.04 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1kfk h GLU 350 CO 0.00 0.00 0.13 0.77 -1.40 0.00 0.00 179.01 178.51 1kfk h SER 351 N -0.80 0.30 -0.06 1.42 0.02 -1.73 -2.12 113.55 110.58 1kfk h SER 351 Ca -0.04 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1kfk h SER 351 Cb 0.51 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1kfk h SER 351 CO 0.06 0.26 0.15 0.28 -1.14 0.00 0.00 176.83 176.44 1kfk h SER 352 N 0.35 0.00 -0.30 3.07 0.02 -0.88 -0.24 113.55 115.57 1kfk h SER 352 Ca 0.09 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1kfk h SER 352 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1kfk h SER 352 CO -0.01 0.00 -0.47 0.45 -1.14 0.00 0.00 176.83 175.65 1kfk h HIS 353 N 0.00 1.05 -0.04 3.45 3.86 -1.43 -0.62 115.15 121.43 1kfk h HIS 353 Ca 0.03 -0.36 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1kfk h HIS 353 Cb 0.33 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1kfk h HIS 353 CO 0.00 1.18 0.00 0.00 0.86 0.00 0.00 177.93 179.97 1kfk h ALA 354 N 0.69 0.05 -0.46 2.45 0.00 -1.20 -2.45 119.26 118.34 1kfk h ALA 354 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1kfk h ALA 354 Cb 1.08 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1kfk h ALA 354 CO 0.11 -0.30 0.16 1.25 0.00 0.00 0.00 179.25 180.47 1kfk h LEU 355 N -0.22 0.17 -0.86 0.00 5.85 -1.41 -1.56 115.31 117.29 1kfk h LEU 355 Ca 0.01 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1kfk h LEU 355 Cb 0.30 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1kfk h LEU 355 CO 0.00 0.13 0.48 0.00 -0.34 0.00 0.00 178.44 178.71 1kfk h ALA 356 N 1.31 1.26 -0.60 1.25 0.00 -1.02 0.11 119.26 121.57 1kfk h ALA 356 Ca 0.22 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1kfk h ALA 356 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kfk h ALA 356 CO -0.23 0.04 0.04 1.25 0.00 0.00 0.00 179.25 180.35 1kfk h HIS 357 N 0.75 1.12 -0.70 0.00 -0.00 -0.81 -1.50 115.15 114.01 1kfk h HIS 357 Ca 0.44 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 1kfk h HIS 357 Cb 0.49 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1kfk h HIS 357 CO -0.06 0.98 0.31 0.00 -0.00 0.00 0.00 177.93 179.15 1kfk h ALA 358 N 0.99 1.22 -0.72 5.26 0.00 -0.55 -0.78 119.26 124.68 1kfk h ALA 358 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1kfk h ALA 358 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1kfk h ALA 358 CO 0.02 0.58 0.26 -0.07 0.00 0.00 0.00 179.25 180.04 1kfk h LEU 359 N 1.00 1.01 -0.48 0.00 4.07 -0.47 -1.68 115.31 118.77 1kfk h LEU 359 Ca 0.24 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 1kfk h LEU 359 Cb 0.15 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1kfk h LEU 359 CO -0.03 0.92 -0.07 0.50 -1.08 0.00 0.00 178.44 178.68 1kfk h LYS 360 N 1.06 0.90 -0.69 1.13 3.64 -0.50 0.17 116.57 122.28 1kfk h LYS 360 Ca 0.24 -0.32 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1kfk h LYS 360 Cb 0.25 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1kfk h LYS 360 CO -0.01 0.97 0.45 0.52 -2.27 0.00 0.00 179.45 179.11 1kfk h MET 361 N 0.75 0.90 0.30 1.90 2.86 -0.82 -1.03 114.93 119.79 1kfk h MET 361 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1kfk h MET 361 Cb 0.61 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1kfk h MET 361 CO 0.04 0.60 -0.15 1.98 1.06 0.00 0.00 176.91 180.44 1kfk h MET 362 N 0.93 -0.39 -0.72 1.72 1.85 -0.97 -3.29 114.93 114.05 1kfk h MET 362 Ca 0.25 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.44 1kfk h MET 362 Cb -0.10 0.09 -0.06 0.00 0.43 0.00 0.00 31.60 31.95 1kfk h MET 362 CO -0.05 -0.20 0.41 0.00 -0.40 0.00 0.00 176.91 176.66 1kfk h ARG 363 N -1.08 0.71 -0.18 0.39 3.08 -0.55 -1.92 114.38 114.83 1kfk h ARG 363 Ca -0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1kfk h ARG 363 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1kfk h ARG 363 CO 0.07 0.47 -0.10 0.93 -1.07 0.00 0.00 179.97 180.27 1kfk h GLU 364 N 0.73 0.28 -2.27 0.04 5.08 -1.35 -3.31 114.58 113.78 1kfk h GLU 364 Ca 0.33 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 58.05 1kfk h GLU 364 Cb 0.23 -0.04 -0.39 0.00 0.50 0.00 0.00 28.75 29.05 1kfk h GLU 364 CO -0.20 0.39 -0.93 1.04 -1.00 0.00 0.00 179.01 178.31 1kfk n GLN 365 N -4.28 0.93 -0.09 2.33 6.02 -0.98 -4.97 117.38 116.33 1kfk n GLN 365 Ca -0.00 -3.56 0.18 0.00 -0.01 0.00 0.00 57.00 53.61 1kfk n GLN 365 Cb 0.26 -1.63 0.60 0.00 1.02 0.00 0.00 30.24 30.48 1kfk n GLN 365 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1kfk h PRO 366 N 4.71 0.21 -0.20 -1.09 0.11 -1.46 -2.08 132.00 132.21 1kfk h PRO 366 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1kfk h PRO 366 Cb 0.84 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1kfk h PRO 366 CO 0.51 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 1kfk n GLU 367 N -4.43 2.06 -2.75 1.05 -0.58 -1.26 -1.07 120.64 113.66 1kfk n GLU 367 Ca 0.12 -1.59 -0.42 0.00 -0.42 0.00 0.00 57.16 54.85 1kfk n GLU 367 Cb 0.58 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 1kfk n GLU 367 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1kfk s LYS 368 N -1.76 4.37 -0.01 3.49 2.20 -0.78 -4.80 119.74 122.44 1kfk s LYS 368 Ca 0.34 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.92 1kfk s LYS 368 Cb 0.20 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1kfk s LYS 368 CO 0.30 -0.35 1.07 -2.00 -0.36 0.00 0.00 175.35 174.01 1kfk s GLU 369 N 2.17 4.48 -0.27 4.03 2.12 -1.26 -4.06 118.70 125.91 1kfk s GLU 369 Ca 0.45 1.54 -0.24 0.00 0.36 0.00 0.00 54.97 57.07 1kfk s GLU 369 Cb -0.17 -3.46 0.08 0.00 0.26 0.00 0.00 34.13 30.84 1kfk s GLU 369 CO 0.15 -0.20 0.76 1.14 -0.54 0.00 0.00 175.26 176.57 1kfk s GLN 370 N 1.36 0.78 -0.40 4.30 -2.07 -0.92 -5.00 119.66 117.71 1kfk s GLN 370 Ca 0.54 0.96 -0.10 0.00 -1.82 0.00 0.00 55.36 54.94 1kfk s GLN 370 Cb -0.23 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.11 1kfk s GLN 370 CO 0.26 -0.10 0.25 -1.17 -1.32 0.00 0.00 175.29 173.20 1kfk s LEU 371 N 0.47 5.01 0.10 2.60 0.20 -1.26 -0.86 118.68 124.94 1kfk s LEU 371 Ca -0.00 -1.30 0.06 0.00 0.69 0.00 0.00 54.13 53.57 1kfk s LEU 371 Cb -0.05 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1kfk s LEU 371 CO -0.02 -0.49 -0.05 -0.76 -0.29 0.00 0.00 176.35 174.74 1kfk s LEU 372 N 1.49 3.23 -0.08 -0.68 1.43 0.40 -0.10 118.68 124.35 1kfk s LEU 372 Ca 0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1kfk s LEU 372 Cb -0.22 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1kfk s LEU 372 CO 0.04 0.17 -0.06 -0.69 0.23 0.00 0.00 176.35 176.04 1kfk s VAL 373 N -1.28 0.79 -0.14 -1.59 1.01 -0.68 -0.96 120.40 117.54 1kfk s VAL 373 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1kfk s VAL 373 Cb -0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1kfk s VAL 373 CO 0.16 0.31 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 1kfk s VAL 374 N 1.47 4.24 -0.53 2.92 1.01 0.20 -0.17 120.40 129.54 1kfk s VAL 374 Ca -0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1kfk s VAL 374 Cb -0.13 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1kfk s VAL 374 CO -0.04 0.51 0.98 0.21 0.00 0.00 0.00 175.10 176.77 1kfk s ASN 375 N 0.03 6.41 -1.16 3.32 3.04 -0.18 -1.18 114.94 125.23 1kfk s ASN 375 Ca 0.02 -0.11 -0.18 0.00 0.04 0.00 0.00 52.86 52.63 1kfk s ASN 375 Cb -0.13 -2.46 0.11 0.00 -1.54 0.00 0.00 41.25 37.23 1kfk s ASN 375 CO 0.02 -1.21 1.49 -0.22 -3.04 0.00 0.00 177.10 174.13 1kfk s LEU 376 N 4.06 4.39 0.55 3.21 2.96 -0.35 -4.71 118.68 128.80 1kfk s LEU 376 Ca 0.35 -2.40 0.27 0.00 -0.22 0.00 0.00 54.13 52.14 1kfk s LEU 376 Cb -0.11 -2.49 1.45 0.00 0.50 0.00 0.00 46.19 45.54 1kfk s LEU 376 CO 0.23 -1.07 1.97 0.77 -1.32 0.00 0.00 176.35 176.93 1kfk h SER 377 N 8.02 0.00 -5.21 3.68 4.64 -1.91 -2.18 113.55 120.58 1kfk h SER 377 Ca 0.31 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.77 1kfk h SER 377 Cb 0.92 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 1kfk h SER 377 CO 1.32 0.00 0.40 -0.83 -0.87 0.00 0.00 176.83 176.85 1kfk s GLY 378 N -3.98 -0.14 0.37 -0.77 0.00 -1.26 -1.14 107.32 100.39 1kfk s GLY 378 Ca -0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.50 1kfk s GLY 378 CO 0.69 0.06 0.70 1.09 0.00 0.00 0.00 173.10 175.64 1kfk s ARG 379 N -3.41 3.73 -0.16 2.90 1.70 0.09 -1.42 118.95 122.39 1kfk s ARG 379 Ca 0.12 0.32 0.16 0.00 -0.47 0.00 0.00 55.73 55.87 1kfk s ARG 379 Cb -0.03 -2.47 0.69 0.00 -0.57 0.00 0.00 34.95 32.57 1kfk s ARG 379 CO 0.04 0.05 1.61 0.41 -1.08 0.00 0.00 175.30 176.33 1kfk n GLY 380 N -1.17 3.08 0.37 3.88 0.00 0.31 -3.68 105.19 107.98 1kfk n GLY 380 Ca 0.01 -0.88 0.19 0.00 0.00 0.00 0.00 46.02 45.34 1kfk n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kfk h ASP 381 N 3.51 0.04 0.83 1.61 3.32 -1.86 0.21 116.42 124.08 1kfk h ASP 381 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1kfk h ASP 381 Cb 1.58 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.11 1kfk h ASP 381 CO 0.30 0.02 -0.27 0.07 -1.72 0.00 0.00 179.24 177.64 1kfk h LYS 382 N 0.04 0.00 -0.17 3.56 2.10 -1.97 -3.09 116.57 117.05 1kfk h LYS 382 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1kfk h LYS 382 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1kfk h LYS 382 CO -0.01 0.27 0.00 -0.25 -2.00 0.00 0.00 179.45 177.46 1kfk n ASP 383 N -3.48 2.30 -0.09 7.07 8.00 0.73 -4.53 116.55 126.54 1kfk n ASP 383 Ca -0.00 -1.79 -0.06 0.00 0.71 0.00 0.00 54.79 53.65 1kfk n ASP 383 Cb 0.44 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1kfk n ASP 383 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kfk h ILE 384 N 3.21 0.55 -0.45 0.53 1.08 -1.44 -1.44 117.51 119.55 1kfk h ILE 384 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1kfk h ILE 384 Cb 0.70 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1kfk h ILE 384 CO 0.00 0.00 -0.25 -0.26 -0.69 0.00 0.00 178.15 176.95 1kfk h PHE 385 N -0.08 1.09 -0.16 1.37 0.04 -1.85 -2.03 116.94 115.32 1kfk h PHE 385 Ca 0.17 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.70 1kfk h PHE 385 Cb 0.34 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1kfk h PHE 385 CO -0.36 1.08 -0.02 1.15 -0.60 0.00 0.00 178.31 179.56 1kfk h THR 386 N 0.81 0.87 0.00 -1.55 2.02 -1.75 0.00 112.91 113.31 1kfk h THR 386 Ca 0.10 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1kfk h THR 386 Cb 0.82 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1kfk h THR 386 CO 0.07 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.50 1kfk h VAL 387 N 0.03 0.15 0.26 3.16 2.07 -1.24 -2.93 116.25 117.74 1kfk h VAL 387 Ca 0.07 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1kfk h VAL 387 Cb 0.10 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1kfk h VAL 387 CO -0.14 0.04 -0.13 -0.74 0.02 0.00 0.00 177.57 176.63 1kfk h HIS 388 N 0.00 -0.33 -0.86 1.57 6.17 -0.34 -2.87 115.15 118.49 1kfk h HIS 388 Ca -0.00 -0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.24 1kfk h HIS 388 Cb 0.44 0.11 -0.06 0.00 2.52 0.00 0.00 27.41 30.41 1kfk h HIS 388 CO 0.00 -0.20 0.56 -0.44 0.71 0.00 0.00 177.93 178.56 1kfk h ASP 389 N -0.85 0.50 0.10 3.26 3.32 -1.08 0.17 116.42 121.84 1kfk h ASP 389 Ca -0.04 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kfk h ASP 389 Cb 0.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1kfk h ASP 389 CO 0.06 0.24 -0.05 0.40 -1.72 0.00 0.00 179.24 178.17 1kfk h ILE 390 N 0.52 1.08 0.00 0.35 2.04 -1.62 0.38 117.51 120.26 1kfk h ILE 390 Ca 0.44 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1kfk h ILE 390 Cb 0.91 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1kfk h ILE 390 CO -0.18 0.18 -0.01 -0.07 0.00 0.00 0.00 178.15 178.07 1kfk h LEU 391 N -0.47 0.00 0.19 1.44 3.38 -1.12 -2.78 115.31 115.95 1kfk h LEU 391 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1kfk h LEU 391 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1kfk h LEU 391 CO 0.02 0.01 -1.52 0.50 0.09 0.00 0.00 178.44 177.54 1kfk h LYS 392 N 0.00 0.40 0.00 1.13 3.64 -0.40 -3.51 116.57 117.82 1kfk h LYS 392 Ca -0.00 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1kfk h LYS 392 Cb 0.37 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1kfk h LYS 392 CO 0.00 1.32 0.00 0.00 -2.27 0.00 0.00 179.45 178.50