#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kax s TRP 18 N 0.00 3.17 0.12 5.58 -0.00 -1.26 -5.07 118.94 121.48 3kax s TRP 18 Ca 0.00 1.61 0.02 0.00 -0.00 0.00 0.00 56.10 57.73 3kax s TRP 18 Cb 0.00 -3.21 -0.04 0.00 -0.00 0.00 0.00 33.47 30.22 3kax s TRP 18 CO 0.00 -0.88 -0.05 0.34 -0.00 0.00 0.00 176.95 176.36 3kax s ASP 19 N -1.46 1.18 0.20 5.86 2.15 -1.26 -5.06 116.67 118.28 3kax s ASP 19 Ca 0.59 -1.05 -0.10 0.00 0.43 0.00 0.00 52.55 52.42 3kax s ASP 19 Cb -0.25 0.10 0.25 0.00 -0.30 0.00 0.00 42.92 42.72 3kax s ASP 19 CO 0.31 -0.48 1.75 0.74 -0.17 0.00 0.00 175.17 177.31 3kax h THR 20 N 2.89 0.80 -0.44 1.71 2.02 -1.98 -2.49 112.91 115.42 3kax h THR 20 Ca -0.36 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kax h THR 20 Cb 1.18 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3kax h THR 20 CO 0.64 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 175.39 3kax n TYR 21 N -4.99 0.84 -0.22 3.16 4.01 -1.26 -4.62 117.16 114.08 3kax n TYR 21 Ca 0.08 -0.60 0.11 0.00 -0.16 0.00 0.00 57.90 57.33 3kax n TYR 21 Cb 0.25 -0.13 0.40 0.00 -0.31 0.00 0.00 39.34 39.55 3kax n TYR 21 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kax h LYS 22 N 2.69 0.64 -0.18 -0.72 1.79 -1.76 0.22 116.57 119.25 3kax h LYS 22 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3kax h LYS 22 Cb 1.05 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3kax h LYS 22 CO 0.09 0.42 0.00 0.09 -1.08 0.00 0.00 179.45 178.97 3kax n ASN 23 N -4.52 2.83 -4.88 0.86 3.02 -1.26 -4.93 115.26 106.39 3kax n ASN 23 Ca 0.14 -1.90 -0.33 0.00 -0.03 0.00 0.00 54.58 52.46 3kax n ASN 23 Cb 0.40 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 3kax n ASN 23 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kax s GLU 24 N -1.79 3.73 0.47 3.52 0.41 0.06 -5.09 118.70 120.01 3kax s GLU 24 Ca 0.34 0.12 -0.13 0.00 -0.41 0.00 0.00 54.97 54.89 3kax s GLU 24 Cb 0.21 -2.91 -0.07 0.00 -1.78 0.00 0.00 34.13 29.58 3kax s GLU 24 CO 0.31 0.50 0.89 -1.21 -0.49 0.00 0.00 175.26 175.26 3kax s GLU 25 N -2.23 3.84 0.33 1.61 8.01 -1.26 -4.99 118.70 124.01 3kax s GLU 25 Ca 0.37 0.70 -0.29 0.00 0.01 0.00 0.00 54.97 55.76 3kax s GLU 25 Cb -0.13 -2.25 -0.12 0.00 -4.31 0.00 0.00 34.13 27.32 3kax s GLU 25 CO 0.20 -0.18 1.40 -0.11 0.01 0.00 0.00 175.26 176.58 3kax n LEU 26 N -1.55 3.93 -4.44 1.80 7.94 -1.26 -4.94 117.00 118.48 3kax n LEU 26 Ca 0.04 1.20 -0.34 0.00 -1.11 0.00 0.00 56.01 55.80 3kax n LEU 26 Cb 0.54 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 3kax n LEU 26 CO 0.48 -0.23 -0.36 -0.63 -1.11 0.00 0.00 177.39 175.54 3kax s ILE 27 N -0.82 3.74 -0.66 1.96 1.01 -0.16 -5.00 121.20 121.27 3kax s ILE 27 Ca 0.58 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 3kax s ILE 27 Cb -0.54 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.32 3kax s ILE 27 CO 0.59 0.47 1.06 -1.00 0.00 0.00 0.00 174.94 176.06 3kax s HIS 28 N 0.69 2.58 -2.31 3.97 3.76 -1.26 -0.23 115.29 122.50 3kax s HIS 28 Ca -0.02 -0.27 0.27 0.00 -0.15 0.00 0.00 55.06 54.88 3kax s HIS 28 Cb -0.14 -4.35 1.20 0.00 1.11 0.00 0.00 32.58 30.39 3kax s HIS 28 CO 0.02 -1.71 1.82 0.00 -0.85 0.00 0.00 174.74 174.02 3kax n ALA 29 N 8.15 2.59 -3.00 -1.40 0.00 0.93 -4.80 120.51 122.98 3kax n ALA 29 Ca -0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 3kax n ALA 29 Cb 0.47 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 3kax n ALA 29 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kax s TRP 30 N -1.96 0.75 0.01 0.00 -0.11 -1.21 0.08 118.94 116.49 3kax s TRP 30 Ca 0.38 -0.17 -0.21 0.00 1.22 0.00 0.00 56.10 57.32 3kax s TRP 30 Cb 0.20 -0.54 0.04 0.00 -1.50 0.00 0.00 33.47 31.67 3kax s TRP 30 CO 0.32 -0.07 0.48 -1.50 -4.62 0.00 0.00 176.95 171.56 3kax s ILE 31 N 0.16 0.04 0.43 5.86 2.07 -1.26 -4.96 121.20 123.53 3kax s ILE 31 Ca -0.02 -0.30 0.13 0.00 -1.41 0.00 0.00 60.65 59.05 3kax s ILE 31 Cb -0.07 -0.88 0.18 0.00 0.13 0.00 0.00 42.46 41.81 3kax s ILE 31 CO 0.00 -0.17 1.97 0.00 -1.91 0.00 0.00 174.94 174.84 3kax h ALA 32 N 3.17 1.66 -3.00 1.50 0.00 -2.02 -3.47 119.26 117.09 3kax h ALA 32 Ca -0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kax h ALA 32 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kax h ALA 32 CO 0.41 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.67 3kax n ASP 33 N -4.31 0.00 -2.92 0.00 8.00 -1.26 -4.97 116.55 111.09 3kax n ASP 33 Ca -0.02 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 3kax n ASP 33 Cb 0.25 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 3kax n ASP 33 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kax n ASP 35 N 0.00 1.95 -4.16 -2.24 -0.08 0.22 -4.96 116.55 107.29 3kax n ASP 35 Ca 0.00 -3.09 -0.16 0.00 -1.51 0.00 0.00 54.79 50.03 3kax n ASP 35 Cb 0.00 -0.57 -0.11 0.00 2.34 0.00 0.00 41.12 42.78 3kax n ASP 35 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3kax s PHE 36 N -2.91 1.08 0.39 -0.67 0.08 -1.26 -4.61 117.98 110.08 3kax s PHE 36 Ca 0.38 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 3kax s PHE 36 Cb 0.38 -0.60 -0.09 0.00 -0.57 0.00 0.00 43.02 42.14 3kax s PHE 36 CO -0.06 0.02 1.21 -2.00 -0.10 0.00 0.00 175.22 174.28 3kax s GLU 37 N -2.18 4.08 0.24 0.44 2.12 -1.26 -4.82 118.70 117.33 3kax s GLU 37 Ca 0.00 1.94 -0.31 0.00 0.36 0.00 0.00 54.97 56.96 3kax s GLU 37 Cb -0.07 -2.75 -0.13 0.00 0.26 0.00 0.00 34.13 31.44 3kax s GLU 37 CO 0.01 -0.32 1.48 0.28 -0.54 0.00 0.00 175.26 176.17 3kax n VAL 38 N 0.19 0.85 -1.63 3.70 0.31 -1.26 -4.89 118.33 115.59 3kax n VAL 38 Ca 0.04 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 3kax n VAL 38 Cb 0.45 -1.62 0.01 0.00 -0.91 0.00 0.00 33.84 31.76 3kax n VAL 38 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kax n PRO 39 N 2.26 1.54 -0.29 5.55 -0.02 -1.26 -4.79 135.00 137.99 3kax n PRO 39 Ca 0.11 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 3kax n PRO 39 Cb 0.33 -2.10 0.23 0.00 -0.02 0.00 0.00 33.50 31.93 3kax n PRO 39 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3kax h GLN 40 N 1.82 1.02 -1.00 -0.52 5.75 -1.97 -1.80 115.11 118.41 3kax h GLN 40 Ca -0.44 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.02 3kax h GLN 40 Cb 1.32 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 3kax h GLN 40 CO 0.59 0.68 0.66 -1.35 -2.65 0.00 0.00 178.83 176.75 3kax h PRO 41 N 1.06 1.25 -0.38 -2.39 0.11 -1.89 0.56 132.00 130.33 3kax h PRO 41 Ca 0.36 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3kax h PRO 41 Cb 0.10 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 3kax h PRO 41 CO -0.12 0.83 0.16 0.82 -0.21 0.00 0.00 178.00 179.48 3kax h ILE 42 N 1.29 1.19 -0.61 4.15 2.04 -1.66 0.65 117.51 124.56 3kax h ILE 42 Ca 0.39 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.78 3kax h ILE 42 Cb -0.05 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 3kax h ILE 42 CO -0.11 0.20 0.25 1.56 0.00 0.00 0.00 178.15 180.05 3kax h GLN 43 N 0.46 0.43 -0.34 2.37 4.20 -1.09 -0.93 115.11 120.22 3kax h GLN 43 Ca 0.13 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3kax h GLN 43 Cb 0.17 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3kax h GLN 43 CO -0.01 0.29 0.02 1.15 -0.67 0.00 0.00 178.83 179.61 3kax h THR 44 N 0.45 1.25 -0.82 -0.54 2.02 -0.70 -0.99 112.91 113.57 3kax h THR 44 Ca 0.30 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3kax h THR 44 Cb 0.35 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 3kax h THR 44 CO -0.28 0.30 0.53 0.00 0.37 0.00 0.00 175.52 176.44 3kax h ALA 45 N 0.87 1.07 -0.18 6.16 0.00 -0.56 0.99 119.26 127.62 3kax h ALA 45 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kax h ALA 45 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kax h ALA 45 CO 0.01 0.38 0.07 -0.07 0.00 0.00 0.00 179.25 179.65 3kax h LEU 46 N 1.05 0.25 -0.30 0.00 3.38 -0.94 -0.93 115.31 117.82 3kax h LEU 46 Ca 0.32 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3kax h LEU 46 Cb -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3kax h LEU 46 CO -0.10 0.35 -0.01 0.50 0.09 0.00 0.00 178.44 179.27 3kax h LYS 47 N 0.14 0.07 -0.62 1.13 3.64 -0.66 -1.28 116.57 119.00 3kax h LYS 47 Ca 0.06 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3kax h LYS 47 Cb 0.17 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3kax h LYS 47 CO -0.00 0.05 0.35 -0.22 -2.27 0.00 0.00 179.45 177.36 3kax h LYS 48 N 0.08 0.66 -0.38 1.90 3.64 -0.69 -2.31 116.57 119.47 3kax h LYS 48 Ca 0.14 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3kax h LYS 48 Cb 0.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3kax h LYS 48 CO -0.25 0.44 0.04 -0.09 -2.27 0.00 0.00 179.45 177.31 3kax h ARG 49 N 0.68 0.58 0.00 1.90 9.65 -0.51 -2.35 114.38 124.32 3kax h ARG 49 Ca 0.26 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3kax h ARG 49 Cb 0.11 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3kax h ARG 49 CO -0.14 0.57 0.00 0.82 2.80 0.00 0.00 179.97 184.02 3kax h ILE 50 N 0.56 0.00 0.00 1.20 2.04 -0.71 -2.69 117.51 117.90 3kax h ILE 50 Ca 0.12 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3kax h ILE 50 Cb 0.30 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3kax h ILE 50 CO 0.01 0.00 -0.01 -0.62 0.00 0.00 0.00 178.15 177.52 3kax n GLU 51 N -2.52 0.07 -3.18 2.37 -0.58 -0.89 -4.25 120.64 111.67 3kax n GLU 51 Ca 0.02 0.06 -0.45 0.00 -0.42 0.00 0.00 57.16 56.38 3kax n GLU 51 Cb 0.31 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.54 3kax n GLU 51 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3kax s HIS 52 N -3.03 3.08 -0.03 -0.32 2.46 -1.02 -4.99 115.29 111.45 3kax s HIS 52 Ca 0.13 -1.02 -0.03 0.00 0.47 0.00 0.00 55.06 54.61 3kax s HIS 52 Cb 0.17 -3.89 -0.10 0.00 -0.13 0.00 0.00 32.58 28.63 3kax s HIS 52 CO 0.55 -1.19 2.69 -0.35 -2.47 0.00 0.00 174.74 173.98 3kax n PRO 53 N 5.99 1.48 -3.85 2.88 -0.04 -1.26 -4.70 135.00 135.50 3kax n PRO 53 Ca -0.11 -0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 62.56 3kax n PRO 53 Cb 0.42 -1.47 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 3kax n PRO 53 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3kax s ILE 54 N 0.26 0.77 -0.32 0.52 -4.36 -1.26 -5.05 121.20 111.76 3kax s ILE 54 Ca 0.31 -0.15 0.12 0.00 -0.26 0.00 0.00 60.65 60.66 3kax s ILE 54 Cb 0.15 -0.86 0.46 0.00 1.25 0.00 0.00 42.46 43.47 3kax s ILE 54 CO -0.01 0.31 1.13 0.49 0.24 0.00 0.00 174.94 177.10 3kax n PHE 55 N 5.02 2.36 -1.87 1.37 3.72 -1.26 -5.07 117.46 121.73 3kax n PHE 55 Ca -0.10 -2.44 -0.04 0.00 -0.05 0.00 0.00 57.45 54.82 3kax n PHE 55 Cb 0.50 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3kax n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kax n GLY 56 N -0.57 0.03 3.64 1.37 0.00 -1.26 -5.03 105.19 103.37 3kax n GLY 56 Ca 0.31 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 3kax n GLY 56 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kax n TYR 57 N -1.87 1.76 -3.86 1.61 4.01 -1.26 -4.93 117.16 112.62 3kax n TYR 57 Ca 0.03 0.59 -0.12 0.00 -0.16 0.00 0.00 57.90 58.24 3kax n TYR 57 Cb 0.09 -2.35 -0.12 0.00 -0.31 0.00 0.00 39.34 36.66 3kax n TYR 57 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3kax s THR 58 N -0.64 0.04 0.73 -0.72 -1.32 -1.26 -5.16 115.64 107.31 3kax s THR 58 Ca 0.63 -0.31 -0.11 0.00 -1.21 0.00 0.00 61.69 60.68 3kax s THR 58 Cb -0.68 -0.26 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 3kax s THR 58 CO 0.56 -0.17 1.09 -0.76 -2.21 0.00 0.00 174.62 173.13 3kax s LEU 59 N -0.55 2.84 0.47 9.08 1.43 -1.26 -4.91 118.68 125.78 3kax s LEU 59 Ca -0.06 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.08 3kax s LEU 59 Cb -0.04 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 42.06 3kax s LEU 59 CO 0.00 -1.56 1.21 -2.65 0.23 0.00 0.00 176.35 173.58 3kax n PRO 60 N -3.16 1.66 -1.51 1.29 -0.02 -1.26 -4.89 135.00 127.10 3kax n PRO 60 Ca 0.07 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 3kax n PRO 60 Cb 0.56 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 3kax n PRO 60 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kax n PRO 61 N -0.29 0.69 -0.19 0.52 -0.02 -1.26 -4.85 135.00 129.61 3kax n PRO 61 Ca 0.09 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3kax n PRO 61 Cb 0.42 -2.11 0.42 0.00 -0.02 0.00 0.00 33.50 32.20 3kax n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kax h GLU 62 N 0.17 0.59 -0.00 -0.52 3.07 -2.05 -2.51 114.58 113.32 3kax h GLU 62 Ca -0.48 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 3kax h GLU 62 Cb 1.36 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3kax h GLU 62 CO 0.49 0.39 -0.24 0.27 -1.40 0.00 0.00 179.01 178.51 3kax n ASN 63 N -4.50 0.73 -0.30 1.42 6.94 -1.26 -4.39 115.26 113.89 3kax n ASN 63 Ca 0.13 -0.63 -0.05 0.00 -0.02 0.00 0.00 54.58 54.02 3kax n ASN 63 Cb 0.39 0.06 0.07 0.00 -2.36 0.00 0.00 39.78 37.94 3kax n ASN 63 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3kax h ILE 64 N 0.76 1.26 -0.32 1.53 6.09 -1.80 -1.93 117.51 123.10 3kax h ILE 64 Ca 0.00 -0.71 0.01 0.00 -1.37 0.00 0.00 64.86 62.78 3kax h ILE 64 Cb 0.46 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 37.93 3kax h ILE 64 CO 0.00 0.31 0.21 1.23 -3.07 0.00 0.00 178.15 176.82 3kax h GLY 65 N 1.17 0.45 1.18 8.18 0.00 -1.80 -0.79 103.07 111.46 3kax h GLY 65 Ca 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3kax h GLY 65 CO -0.04 0.16 0.37 -0.55 0.00 0.00 0.00 176.54 176.48 3kax h ASP 66 N 0.42 0.96 -0.44 0.19 3.32 -1.76 -0.68 116.42 118.43 3kax h ASP 66 Ca 0.12 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3kax h ASP 66 Cb -0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3kax h ASP 66 CO -0.03 0.80 0.17 0.40 -1.72 0.00 0.00 179.24 178.86 3kax h ILE 67 N 1.06 1.21 -0.26 0.35 2.04 -0.92 0.23 117.51 121.21 3kax h ILE 67 Ca 0.26 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3kax h ILE 67 Cb 0.09 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3kax h ILE 67 CO -0.04 0.24 0.00 0.40 0.00 0.00 0.00 178.15 178.75 3kax h ILE 68 N 0.58 1.26 -0.70 -0.67 2.04 -0.84 -1.11 117.51 118.07 3kax h ILE 68 Ca 0.15 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3kax h ILE 68 Cb 0.21 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3kax h ILE 68 CO -0.01 0.29 0.46 0.00 0.00 0.00 0.00 178.15 178.89 3kax h ASN 70 N 0.94 1.08 0.13 0.00 2.35 -0.84 -2.83 115.58 116.42 3kax h ASN 70 Ca 0.25 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kax h ASN 70 Cb -0.10 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 37.99 3kax h ASN 70 CO -0.05 0.89 -0.06 -0.25 -1.65 0.00 0.00 177.43 176.30 3kax h TRP 71 N 1.18 -0.17 -0.69 1.19 2.91 -0.65 -1.83 115.95 117.89 3kax h TRP 71 Ca 0.29 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.32 3kax h TRP 71 Cb 0.08 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 3kax h TRP 71 CO 0.01 -0.07 0.46 1.79 -1.03 0.00 0.00 178.44 179.60 3kax h THR 72 N -0.22 1.15 -0.20 2.65 1.35 -1.30 -0.68 112.91 115.67 3kax h THR 72 Ca -0.02 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.50 3kax h THR 72 Cb 0.17 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 3kax h THR 72 CO 0.03 0.16 -0.02 0.50 -0.25 0.00 0.00 175.52 175.94 3kax h LYS 73 N 0.90 0.36 -0.20 4.72 1.63 -1.24 -1.45 116.57 121.29 3kax h LYS 73 Ca 0.26 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3kax h LYS 73 Cb -0.04 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3kax h LYS 73 CO -0.06 0.59 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.23 3kax h LYS 74 N 0.10 0.40 0.03 1.90 3.64 -0.98 -0.57 116.57 121.09 3kax h LYS 74 Ca 0.05 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.08 3kax h LYS 74 Cb 0.44 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3kax h LYS 74 CO 0.01 0.67 -0.74 1.96 -2.27 0.00 0.00 179.45 179.08 3kax h GLN 75 N 0.10 0.45 0.00 1.90 1.08 -1.22 -3.40 115.11 114.03 3kax h GLN 75 Ca 0.05 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3kax h GLN 75 Cb 0.54 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3kax h GLN 75 CO 0.02 1.18 0.00 0.66 -0.95 0.00 0.00 178.83 179.74 3kax n TYR 76 N -4.12 0.00 -2.90 2.96 4.01 -0.64 -4.98 117.16 111.49 3kax n TYR 76 Ca -0.11 -0.06 -0.22 0.00 -0.16 0.00 0.00 57.90 57.35 3kax n TYR 76 Cb 0.75 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.80 3kax n TYR 76 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kax n ASN 77 N -0.06 -6.00 -4.33 7.72 5.15 -0.22 -4.88 115.26 112.64 3kax n ASN 77 Ca 0.00 -0.23 -0.36 0.00 -0.60 0.00 0.00 54.58 53.39 3kax n ASN 77 Cb 0.11 -4.88 -0.13 0.00 -0.53 0.00 0.00 39.78 34.35 3kax n ASN 77 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3kax s TRP 78 N -3.14 3.08 -0.26 1.20 -0.00 -0.68 -4.91 118.94 114.24 3kax s TRP 78 Ca 0.24 -0.95 -0.19 0.00 -0.00 0.00 0.00 56.10 55.20 3kax s TRP 78 Cb -0.11 -2.19 -0.02 0.00 -0.00 0.00 0.00 33.47 31.15 3kax s TRP 78 CO 0.30 -0.55 0.58 -0.51 -0.00 0.00 0.00 176.95 176.76 3kax s ASP 79 N 1.49 6.51 0.40 5.86 1.01 -1.26 -2.57 116.67 128.11 3kax s ASP 79 Ca 0.04 0.62 0.06 0.00 0.71 0.00 0.00 52.55 53.98 3kax s ASP 79 Cb -0.16 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 3kax s ASP 79 CO 0.00 -0.33 0.02 0.27 0.21 0.00 0.00 175.17 175.34 3kax s ILE 80 N 2.41 1.88 0.03 0.77 -4.36 -1.26 -5.09 121.20 115.58 3kax s ILE 80 Ca 0.24 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 3kax s ILE 80 Cb -0.16 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3kax s ILE 80 CO 0.09 0.00 0.06 -1.10 0.24 0.00 0.00 174.94 174.23 3kax s GLN 81 N -3.74 2.92 0.32 0.37 -1.52 -1.26 -4.95 119.66 111.81 3kax s GLN 81 Ca 0.34 -0.59 0.04 0.00 -1.95 0.00 0.00 55.36 53.20 3kax s GLN 81 Cb 0.10 -2.76 0.65 0.00 -0.22 0.00 0.00 33.01 30.78 3kax s GLN 81 CO 0.17 0.61 1.87 0.87 -0.25 0.00 0.00 175.29 178.57 3kax h LYS 82 N 3.86 0.86 0.00 2.91 1.57 -1.99 -1.81 116.57 121.96 3kax h LYS 82 Ca -0.48 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3kax h LYS 82 Cb 1.17 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3kax h LYS 82 CO 0.62 0.57 -0.04 0.93 -0.57 0.00 0.00 179.45 180.96 3kax h GLU 83 N 0.88 0.00 0.00 3.15 3.07 -1.99 -2.19 114.58 117.51 3kax h GLU 83 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3kax h GLU 83 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3kax h GLU 83 CO -0.21 0.04 0.00 0.91 -1.40 0.00 0.00 179.01 178.35 3kax n TRP 84 N -3.45 0.06 -3.16 4.33 8.01 -0.68 -4.82 117.44 117.73 3kax n TRP 84 Ca -0.02 0.02 -0.39 0.00 -1.31 0.00 0.00 57.50 55.79 3kax n TRP 84 Cb 0.16 -0.53 -0.06 0.00 -2.01 0.00 0.00 31.31 28.87 3kax n TRP 84 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3kax s ILE 85 N -3.01 5.07 0.10 -0.99 1.01 -0.82 -0.76 121.20 121.79 3kax s ILE 85 Ca 0.10 1.15 0.09 0.00 0.00 0.00 0.00 60.65 61.99 3kax s ILE 85 Cb 0.14 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3kax s ILE 85 CO 0.39 0.18 -0.22 -0.69 0.00 0.00 0.00 174.94 174.60 3kax s VAL 86 N 1.46 1.85 0.21 2.92 1.01 0.82 -4.99 120.40 123.67 3kax s VAL 86 Ca 0.29 -1.55 0.06 0.00 0.00 0.00 0.00 61.98 60.78 3kax s VAL 86 Cb -0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3kax s VAL 86 CO 0.11 0.02 0.18 -0.36 0.00 0.00 0.00 175.10 175.06 3kax s PHE 87 N -1.08 3.15 -0.00 5.22 0.08 -1.26 0.20 117.98 124.29 3kax s PHE 87 Ca 0.08 -0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.87 3kax s PHE 87 Cb -0.10 -1.46 0.04 0.00 -0.57 0.00 0.00 43.02 40.93 3kax s PHE 87 CO 0.04 0.52 0.46 0.45 -0.10 0.00 0.00 175.22 176.59 3kax s SER 88 N -3.51 -0.37 0.52 1.36 0.15 -1.01 -4.85 113.70 105.99 3kax s SER 88 Ca 0.32 0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.46 3kax s SER 88 Cb -0.09 0.42 1.36 0.00 -1.71 0.00 0.00 66.02 66.01 3kax s SER 88 CO 0.24 -0.58 1.99 0.00 1.20 0.00 0.00 173.24 176.09 3kax h ALA 89 N 3.28 2.47 0.00 5.45 0.00 -1.86 -0.49 119.26 128.11 3kax h ALA 89 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kax h ALA 89 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kax h ALA 89 CO 0.41 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3kax n GLY 90 N -1.63 -2.28 0.24 0.00 0.00 -1.26 -3.76 105.19 96.49 3kax n GLY 90 Ca 0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 3kax n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kax h ILE 91 N 0.00 1.23 0.11 -0.61 6.09 -1.96 -1.82 117.51 120.56 3kax h ILE 91 Ca 0.00 -1.06 -0.01 0.00 -1.37 0.00 0.00 64.86 62.42 3kax h ILE 91 Cb 0.00 1.29 0.00 0.00 0.47 0.00 0.00 36.82 38.58 3kax h ILE 91 CO 0.00 0.34 -0.05 0.58 -3.07 0.00 0.00 178.15 175.94 3kax h VAL 92 N 0.34 1.07 -0.62 2.19 2.07 -1.99 0.12 116.25 119.43 3kax h VAL 92 Ca 0.06 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3kax h VAL 92 Cb 0.53 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3kax h VAL 92 CO 0.04 0.19 0.38 -0.65 0.02 0.00 0.00 177.57 177.55 3kax h PRO 93 N -0.53 0.82 -0.54 1.57 0.11 -1.93 -1.73 132.00 129.77 3kax h PRO 93 Ca -0.02 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 3kax h PRO 93 Cb 0.43 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 3kax h PRO 93 CO 0.03 0.57 0.08 0.00 -0.21 0.00 0.00 178.00 178.46 3kax h ALA 94 N 1.58 1.13 -0.32 -0.75 0.00 -1.06 0.37 119.26 120.21 3kax h ALA 94 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kax h ALA 94 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kax h ALA 94 CO -0.04 0.57 0.13 1.25 0.00 0.00 0.00 179.25 181.16 3kax h LEU 95 N 0.81 0.44 -0.46 0.00 5.85 -0.21 -1.08 115.31 120.67 3kax h LEU 95 Ca 0.17 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kax h LEU 95 Cb 0.37 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3kax h LEU 95 CO 0.01 0.49 0.26 -1.28 -0.34 0.00 0.00 178.44 177.58 3kax h SER 96 N 0.37 0.57 -0.71 1.25 0.87 -0.90 0.37 113.55 115.37 3kax h SER 96 Ca 0.11 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3kax h SER 96 Cb 0.18 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 3kax h SER 96 CO -0.01 0.48 0.43 0.74 -0.53 0.00 0.00 176.83 177.94 3kax h THR 97 N 0.60 1.04 -0.22 2.23 2.02 -0.85 -0.33 112.91 117.41 3kax h THR 97 Ca 0.16 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3kax h THR 97 Cb 0.04 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3kax h THR 97 CO -0.03 0.15 0.10 0.28 0.37 0.00 0.00 175.52 176.39 3kax h SER 98 N 0.81 0.28 -0.69 4.18 0.02 -0.73 0.84 113.55 118.27 3kax h SER 98 Ca 0.30 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3kax h SER 98 Cb 0.11 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 3kax h SER 98 CO -0.15 0.33 0.34 0.40 -1.14 0.00 0.00 176.83 176.62 3kax h ILE 99 N 0.22 0.87 -0.11 3.27 2.04 -0.40 -0.44 117.51 122.95 3kax h ILE 99 Ca 0.07 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 3kax h ILE 99 Cb 0.12 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kax h ILE 99 CO -0.01 0.11 -0.50 1.56 0.00 0.00 0.00 178.15 179.31 3kax h GLN 100 N 0.60 0.30 0.07 2.37 4.20 -0.69 -2.34 115.11 119.61 3kax h GLN 100 Ca 0.33 -0.17 -0.25 0.00 0.06 0.00 0.00 58.65 58.63 3kax h GLN 100 Cb 0.33 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3kax h GLN 100 CO -0.25 0.73 -1.10 0.00 -0.67 0.00 0.00 178.83 177.54 3kax h ALA 101 N 1.24 0.24 -0.00 3.87 0.00 -0.35 -3.39 119.26 120.87 3kax h ALA 101 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3kax h ALA 101 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kax h ALA 101 CO 0.08 0.96 -0.18 1.19 0.00 0.00 0.00 179.25 181.30 3kax n PHE 102 N -3.58 0.00 -4.26 0.00 3.72 -0.22 -4.91 117.46 108.21 3kax n PHE 102 Ca -0.06 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 3kax n PHE 102 Cb 0.94 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.38 3kax n PHE 102 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kax s THR 103 N -1.20 0.94 0.22 4.37 -4.23 -0.88 -4.89 115.64 109.96 3kax s THR 103 Ca 0.05 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3kax s THR 103 Cb 0.05 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 3kax s THR 103 CO 0.19 -0.55 0.18 -0.54 -0.54 0.00 0.00 174.62 173.36 3kax s LYS 104 N -3.84 2.95 0.44 3.99 1.02 -1.26 -4.66 119.74 118.38 3kax s LYS 104 Ca 0.22 -0.96 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 3kax s LYS 104 Cb 0.05 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 3kax s LYS 104 CO 0.03 0.44 0.87 0.39 -0.92 0.00 0.00 175.35 176.16 3kax n GLU 105 N -0.87 1.07 -0.42 1.68 1.02 -1.26 -1.52 120.64 120.33 3kax n GLU 105 Ca -0.08 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 3kax n GLU 105 Cb 0.57 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3kax n GLU 105 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kax n ASN 106 N 0.58 0.00 -4.90 1.62 3.02 0.25 -4.99 115.26 110.84 3kax n ASN 106 Ca 0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 3kax n ASN 106 Cb 0.40 -0.77 0.07 0.00 -0.61 0.00 0.00 39.78 38.87 3kax n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kax s GLU 107 N -0.20 2.41 -0.05 3.52 2.02 -0.58 -4.46 118.70 121.37 3kax s GLU 107 Ca 0.00 0.20 -0.06 0.00 0.02 0.00 0.00 54.97 55.14 3kax s GLU 107 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 3kax s GLU 107 CO 0.00 -1.27 0.20 -1.54 0.02 0.00 0.00 175.26 172.66 3kax s SER 108 N -4.47 6.42 -0.08 -0.19 1.04 -1.26 -0.52 113.70 114.65 3kax s SER 108 Ca 0.60 0.47 0.03 0.00 0.48 0.00 0.00 55.95 57.53 3kax s SER 108 Cb -0.11 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.96 3kax s SER 108 CO 0.49 0.32 -0.18 -0.69 0.98 0.00 0.00 173.24 174.17 3kax s VAL 109 N -1.20 1.56 -0.10 5.02 1.01 -0.19 -3.51 120.40 122.99 3kax s VAL 109 Ca 0.23 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3kax s VAL 109 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kax s VAL 109 CO 0.12 0.45 0.07 -0.22 0.00 0.00 0.00 175.10 175.52 3kax s LEU 110 N 0.49 3.99 0.30 3.92 0.20 -0.25 -1.13 118.68 126.21 3kax s LEU 110 Ca -0.16 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.01 3kax s LEU 110 Cb -0.17 -1.96 -0.06 0.00 -0.43 0.00 0.00 46.19 43.57 3kax s LEU 110 CO 0.06 0.39 0.03 0.68 -0.29 0.00 0.00 176.35 177.22 3kax s VAL 111 N -0.97 1.24 -0.51 1.68 -7.23 -0.42 -1.00 120.40 113.18 3kax s VAL 111 Ca 0.15 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 3kax s VAL 111 Cb -0.12 -2.65 0.13 0.00 0.56 0.00 0.00 36.38 34.31 3kax s VAL 111 CO 0.04 -0.12 0.26 -1.10 -0.31 0.00 0.00 175.10 173.87 3kax s GLN 112 N -3.86 1.84 0.64 4.82 -0.21 -1.26 -1.30 119.66 120.33 3kax s GLN 112 Ca 0.34 -2.51 -0.18 0.00 0.02 0.00 0.00 55.36 53.03 3kax s GLN 112 Cb 0.07 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 3kax s GLN 112 CO 0.14 -1.13 1.22 -2.14 -2.12 0.00 0.00 175.29 171.26 3kax s PRO 113 N -0.19 2.70 0.14 2.91 0.02 -1.26 -4.35 135.00 134.98 3kax s PRO 113 Ca 0.17 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3kax s PRO 113 Cb -0.25 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 3kax s PRO 113 CO -0.01 -1.42 0.94 -1.25 -0.33 0.00 0.00 177.00 174.94 3kax s PRO 114 N -3.49 4.72 0.04 5.54 0.04 -0.90 -0.66 135.00 140.29 3kax s PRO 114 Ca 0.77 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 3kax s PRO 114 Cb -0.31 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3kax s PRO 114 CO 0.37 0.30 -0.02 0.96 0.04 0.00 0.00 177.00 178.65 3kax s ILE 115 N -0.31 0.17 -0.47 0.56 -4.36 -0.72 -4.40 121.20 111.68 3kax s ILE 115 Ca 0.45 -1.44 -0.46 0.00 -0.26 0.00 0.00 60.65 58.94 3kax s ILE 115 Cb -0.24 -1.02 -0.20 0.00 1.25 0.00 0.00 42.46 42.26 3kax s ILE 115 CO 0.30 -0.79 1.60 0.00 0.24 0.00 0.00 174.94 176.29 3kax n TYR 116 N 0.70 1.76 -0.30 1.37 9.36 -1.26 -4.40 117.16 124.38 3kax n TYR 116 Ca -0.18 1.09 0.02 0.00 3.32 0.00 0.00 57.90 62.16 3kax n TYR 116 Cb 0.59 -2.25 0.16 0.00 -0.63 0.00 0.00 39.34 37.21 3kax n TYR 116 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3kax h PRO 117 N 5.15 0.83 -0.11 2.98 0.11 -1.93 -2.04 132.00 136.99 3kax h PRO 117 Ca -0.44 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3kax h PRO 117 Cb 1.37 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kax h PRO 117 CO 0.97 0.55 0.15 -1.35 -0.21 0.00 0.00 178.00 178.12 3kax h PRO 118 N 0.86 0.00 -0.68 1.05 0.11 -1.93 -1.25 132.00 130.15 3kax h PRO 118 Ca 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 3kax h PRO 118 Cb 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 3kax h PRO 118 CO -0.22 0.00 0.35 0.74 -0.21 0.00 0.00 178.00 178.66 3kax h PHE 119 N 0.00 0.96 -0.81 0.65 0.04 -1.73 -1.23 116.94 114.82 3kax h PHE 119 Ca 0.05 -0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.88 3kax h PHE 119 Cb 0.36 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.14 3kax h PHE 119 CO 0.00 0.70 0.45 0.74 -0.60 0.00 0.00 178.31 179.60 3kax h PHE 120 N 0.94 0.81 0.00 -0.55 0.04 -1.38 -3.02 116.94 113.78 3kax h PHE 120 Ca 0.24 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.04 3kax h PHE 120 Cb 0.08 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.99 3kax h PHE 120 CO 0.00 0.32 0.00 0.39 -0.60 0.00 0.00 178.31 178.42 3kax n GLU 121 N -4.77 0.37 0.00 1.51 -0.58 -0.47 -1.77 120.64 114.93 3kax n GLU 121 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3kax n GLU 121 Cb 0.29 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3kax n GLU 121 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kax n VAL 123 N 1.67 0.00 0.05 2.62 0.31 -1.14 -0.78 118.33 121.06 3kax n VAL 123 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3kax n VAL 123 Cb 0.19 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.10 3kax n VAL 123 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3kax h THR 124 N 0.00 1.38 0.00 2.52 1.35 -1.55 -2.16 112.91 114.46 3kax h THR 124 Ca 0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 3kax h THR 124 Cb 0.00 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kax h THR 124 CO 0.00 0.69 0.00 0.71 -0.25 0.00 0.00 175.52 176.67 3kax h THR 125 N 0.27 0.00 -0.62 6.82 1.35 -1.21 -1.49 112.91 118.03 3kax h THR 125 Ca -0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3kax h THR 125 Cb 1.46 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3kax h THR 125 CO 0.15 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.01 3kax n ASN 126 N -2.41 4.16 -3.64 5.36 4.13 -1.06 -4.95 115.26 116.84 3kax n ASN 126 Ca 0.02 -2.28 -0.27 0.00 1.68 0.00 0.00 54.58 53.72 3kax n ASN 126 Cb 0.24 -0.52 0.03 0.00 -1.54 0.00 0.00 39.78 37.99 3kax n ASN 126 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3kax n ASN 127 N 1.16 -4.95 -4.96 6.41 5.15 -0.56 -4.79 115.26 112.72 3kax n ASN 127 Ca 0.23 -0.60 -0.23 0.00 -0.60 0.00 0.00 54.58 53.38 3kax n ASN 127 Cb 0.75 -3.98 -0.02 0.00 -0.53 0.00 0.00 39.78 36.00 3kax n ASN 127 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3kax s ARG 128 N -6.33 3.45 0.02 1.20 3.00 -0.84 -0.59 118.95 118.86 3kax s ARG 128 Ca 0.55 -0.64 -0.26 0.00 0.00 0.00 0.00 55.73 55.38 3kax s ARG 128 Cb -0.27 -2.87 -0.05 0.00 0.00 0.00 0.00 34.95 31.76 3kax s ARG 128 CO 0.68 0.41 0.81 -0.65 0.00 0.00 0.00 175.30 176.55 3kax s GLN 129 N -3.83 4.52 0.00 3.54 -0.21 0.32 -4.37 119.66 119.63 3kax s GLN 129 Ca 0.35 1.14 -0.30 0.00 0.02 0.00 0.00 55.36 56.57 3kax s GLN 129 Cb -0.10 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 3kax s GLN 129 CO 0.30 0.16 1.00 -1.17 -2.12 0.00 0.00 175.29 173.46 3kax s LEU 130 N 0.35 4.36 0.04 2.90 2.96 -1.26 -1.02 118.68 127.02 3kax s LEU 130 Ca 0.42 1.69 0.08 0.00 -0.22 0.00 0.00 54.13 56.09 3kax s LEU 130 Cb -0.20 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 3kax s LEU 130 CO 0.24 -0.29 -0.20 0.00 -1.32 0.00 0.00 176.35 174.78 3kax s VAL 132 N -0.90 1.47 -0.47 0.00 -7.23 -1.26 -1.31 120.40 110.71 3kax s VAL 132 Ca 0.14 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 3kax s VAL 132 Cb -0.10 -1.28 0.14 0.00 0.56 0.00 0.00 36.38 35.70 3kax s VAL 132 CO 0.04 0.19 0.28 -0.55 -0.31 0.00 0.00 175.10 174.76 3kax s SER 133 N -1.01 3.59 0.52 4.85 0.15 -0.42 -4.94 113.70 116.44 3kax s SER 133 Ca 0.06 -2.82 -0.23 0.00 0.70 0.00 0.00 55.95 53.66 3kax s SER 133 Cb -0.08 -1.06 -0.06 0.00 -1.71 0.00 0.00 66.02 63.11 3kax s SER 133 CO 0.01 -0.24 1.37 -2.84 1.20 0.00 0.00 173.24 172.75 3kax s PRO 134 N 0.10 3.30 0.72 5.44 0.02 -1.26 -4.25 135.00 139.07 3kax s PRO 134 Ca 0.20 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.34 3kax s PRO 134 Cb -0.19 -2.36 0.03 0.00 0.02 0.00 0.00 34.50 31.99 3kax s PRO 134 CO -0.04 -1.08 1.22 -0.51 -0.33 0.00 0.00 177.00 176.27 3kax s LEU 135 N -3.30 3.35 0.02 -5.54 1.43 0.17 -4.39 118.68 110.41 3kax s LEU 135 Ca 0.69 2.41 0.06 0.00 -1.03 0.00 0.00 54.13 56.25 3kax s LEU 135 Cb -0.41 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.18 3kax s LEU 135 CO 0.50 -2.24 -0.15 0.00 0.23 0.00 0.00 176.35 174.68 3kax s GLN 136 N -3.82 2.24 -0.47 1.70 -2.07 0.10 -4.89 119.66 112.46 3kax s GLN 136 Ca 0.76 -0.88 0.04 0.00 -1.82 0.00 0.00 55.36 53.45 3kax s GLN 136 Cb -0.31 -2.28 0.12 0.00 -1.09 0.00 0.00 33.01 29.45 3kax s GLN 136 CO 0.44 0.57 0.21 -1.59 -1.32 0.00 0.00 175.29 173.60 3kax s LYS 137 N -1.32 1.79 0.14 9.60 -2.85 -1.26 0.07 119.74 125.91 3kax s LYS 137 Ca 0.15 -2.38 0.01 0.00 -1.00 0.00 0.00 55.97 52.75 3kax s LYS 137 Cb -0.11 -3.19 -0.07 0.00 -2.06 0.00 0.00 37.83 32.40 3kax s LYS 137 CO 0.05 -1.07 1.33 -0.56 0.10 0.00 0.00 175.35 175.20 3kax h GLN 138 N 6.79 0.21 -1.30 1.78 3.07 -1.98 -3.45 115.11 120.23 3kax h GLN 138 Ca -0.07 -0.25 -0.25 0.00 0.09 0.00 0.00 58.65 58.18 3kax h GLN 138 Cb 0.92 0.08 -0.21 0.00 0.08 0.00 0.00 27.48 28.35 3kax h GLN 138 CO 0.63 1.01 -0.60 1.21 0.09 0.00 0.00 178.83 181.17 3kax s ASN 139 N -6.96 -0.81 0.00 0.06 2.47 -1.26 -4.99 114.94 103.46 3kax s ASN 139 Ca -0.03 -2.00 0.00 0.00 0.42 0.00 0.00 52.86 51.25 3kax s ASN 139 Cb 0.10 1.38 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 3kax s ASN 139 CO 0.84 -0.08 0.00 0.47 -3.72 0.00 0.00 177.10 174.61 3kax n ASP 140 N 2.97 0.00 -3.81 -4.21 8.00 -1.26 -4.95 116.55 113.29 3kax n ASP 140 Ca 0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 3kax n ASP 140 Cb 0.54 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 3kax n ASP 140 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kax s THR 141 N -2.55 0.05 0.22 -3.53 -1.32 -1.26 -4.80 115.64 102.44 3kax s THR 141 Ca 0.00 -0.42 -0.25 0.00 -1.21 0.00 0.00 61.69 59.82 3kax s THR 141 Cb 0.00 -0.48 -0.09 0.00 -1.51 0.00 0.00 72.50 70.43 3kax s THR 141 CO 0.00 -0.23 0.82 -0.31 -2.21 0.00 0.00 174.62 172.69 3kax s TYR 142 N -0.93 3.82 0.07 9.09 2.02 -1.26 -4.09 117.35 126.07 3kax s TYR 142 Ca -0.10 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.28 3kax s TYR 142 Cb -0.05 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.69 3kax s TYR 142 CO 0.02 0.41 -0.10 0.00 -1.57 0.00 0.00 175.55 174.31 3kax s ALA 143 N -1.33 0.94 0.28 3.71 0.00 0.11 -4.95 121.76 120.51 3kax s ALA 143 Ca 0.41 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 3kax s ALA 143 Cb -0.21 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 3kax s ALA 143 CO 0.25 0.00 1.34 0.42 0.00 0.00 0.00 175.76 177.77 3kax s ILE 144 N -1.91 2.84 -1.04 0.00 1.01 -1.26 -0.72 121.20 120.12 3kax s ILE 144 Ca -0.01 0.77 -0.16 0.00 0.00 0.00 0.00 60.65 61.24 3kax s ILE 144 Cb -0.06 -3.49 0.15 0.00 0.01 0.00 0.00 42.46 39.07 3kax s ILE 144 CO 0.00 0.15 1.23 -0.62 0.00 0.00 0.00 174.94 175.70 3kax s ASP 145 N -0.08 6.83 0.31 3.58 -1.08 -1.26 -4.83 116.67 120.13 3kax s ASP 145 Ca 0.53 -2.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.08 3kax s ASP 145 Cb -0.39 -2.39 0.50 0.00 -1.46 0.00 0.00 42.92 39.18 3kax s ASP 145 CO 0.47 -0.89 1.90 -0.26 0.52 0.00 0.00 175.17 176.90 3kax h PHE 146 N 8.07 0.82 -0.11 -5.34 0.04 -1.96 0.11 116.94 118.57 3kax h PHE 146 Ca 0.22 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3kax h PHE 146 Cb 0.96 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.85 3kax h PHE 146 CO 1.12 0.62 0.01 0.93 -0.60 0.00 0.00 178.31 180.39 3kax h GLU 147 N 0.82 0.18 -0.53 1.51 5.08 -2.00 -0.46 114.58 119.18 3kax h GLU 147 Ca 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3kax h GLU 147 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kax h GLU 147 CO -0.02 0.42 0.17 1.25 -1.00 0.00 0.00 179.01 179.83 3kax h HIS 148 N -0.08 0.85 -0.59 4.33 2.76 -1.93 -2.36 115.15 118.13 3kax h HIS 148 Ca 0.03 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3kax h HIS 148 Cb 0.34 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 3kax h HIS 148 CO 0.03 0.72 0.37 1.25 -1.30 0.00 0.00 177.93 179.00 3kax h LEU 149 N 0.73 0.61 -1.02 0.26 5.85 -0.66 -1.77 115.31 119.32 3kax h LEU 149 Ca 0.17 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3kax h LEU 149 Cb 0.27 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3kax h LEU 149 CO -0.01 0.43 0.58 -0.08 -0.34 0.00 0.00 178.44 179.02 3kax h GLU 150 N 0.73 1.25 -0.55 1.25 4.81 -0.86 -0.90 114.58 120.32 3kax h GLU 150 Ca 0.23 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3kax h GLU 150 Cb -0.01 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3kax h GLU 150 CO -0.08 0.86 0.23 0.87 -0.73 0.00 0.00 179.01 180.15 3kax h LYS 151 N 1.27 0.79 -0.45 1.92 1.57 -0.87 -0.77 116.57 120.03 3kax h LYS 151 Ca 0.34 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3kax h LYS 151 Cb -0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3kax h LYS 151 CO -0.07 0.64 0.05 1.96 -0.57 0.00 0.00 179.45 181.47 3kax h GLN 152 N 0.78 0.76 -0.71 3.15 1.08 -0.47 -2.72 115.11 116.98 3kax h GLN 152 Ca 0.19 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3kax h GLN 152 Cb 0.14 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 3kax h GLN 152 CO -0.02 0.79 0.33 0.74 -0.95 0.00 0.00 178.83 179.72 3kax h PHE 153 N 0.61 1.01 0.00 2.96 -1.00 -0.66 -1.50 116.94 118.37 3kax h PHE 153 Ca 0.13 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 3kax h PHE 153 Cb 0.41 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 3kax h PHE 153 CO 0.03 0.75 -0.04 1.96 -1.61 0.00 0.00 178.31 179.39 3kax h GLN 154 N 1.01 0.00 0.00 1.51 4.20 -0.98 -0.49 115.11 120.36 3kax h GLN 154 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3kax h GLN 154 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3kax h GLN 154 CO -0.03 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 3kax n GLN 155 N -4.09 0.03 0.00 1.46 6.02 -0.57 -4.93 117.38 115.30 3kax n GLN 155 Ca -0.03 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3kax n GLN 155 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3kax n GLN 155 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kax n GLY 156 N 0.74 1.25 3.58 1.08 0.00 -0.19 -5.08 105.19 106.57 3kax n GLY 156 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.56 3kax n GLY 156 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kax n VAL 157 N -1.17 0.35 -0.05 1.61 0.31 -1.24 -4.78 118.33 113.35 3kax n VAL 157 Ca 0.00 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.23 3kax n VAL 157 Cb 0.00 -0.75 -0.13 0.00 -0.91 0.00 0.00 33.84 32.06 3kax n VAL 157 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kax n LYS 158 N 2.14 1.06 -4.14 5.55 0.00 -1.23 -4.77 118.16 116.77 3kax n LYS 158 Ca 0.17 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.31 58.26 3kax n LYS 158 Cb 0.20 -1.40 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 3kax n LYS 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3kax s LEU 159 N -4.76 1.18 -0.18 -5.58 2.96 -1.25 -1.57 118.68 109.47 3kax s LEU 159 Ca -0.07 -1.52 -0.04 0.00 -0.22 0.00 0.00 54.13 52.28 3kax s LEU 159 Cb 0.07 1.16 0.08 0.00 0.50 0.00 0.00 46.19 48.01 3kax s LEU 159 CO 0.67 -1.19 0.22 -0.76 -1.32 0.00 0.00 176.35 173.97 3kax s LEU 161 N -3.25 -0.14 -0.27 -0.68 1.43 -0.17 -1.09 118.68 114.51 3kax s LEU 161 Ca 0.33 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3kax s LEU 161 Cb 0.01 0.43 -0.05 0.00 0.03 0.00 0.00 46.19 46.61 3kax s LEU 161 CO 0.21 -0.30 0.21 -0.22 0.23 0.00 0.00 176.35 176.47 3kax s LEU 162 N 2.34 4.05 -0.30 1.79 2.96 0.17 -4.41 118.68 125.28 3kax s LEU 162 Ca 0.06 0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 3kax s LEU 162 Cb -0.15 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3kax s LEU 162 CO -0.11 -0.03 0.33 0.00 -1.32 0.00 0.00 176.35 175.21 3kax s SER 164 N 1.71 0.75 0.66 0.00 0.15 -0.42 -2.89 113.70 113.67 3kax s SER 164 Ca 0.12 -0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 3kax s SER 164 Cb -0.16 0.85 -0.00 0.00 -1.71 0.00 0.00 66.02 64.99 3kax s SER 164 CO 0.11 -0.33 1.29 -2.84 1.20 0.00 0.00 173.24 172.67 3kax s PRO 165 N 2.46 2.45 -0.66 5.44 0.02 -1.26 -3.98 135.00 139.48 3kax s PRO 165 Ca 0.10 2.04 -0.22 0.00 0.02 0.00 0.00 61.00 62.94 3kax s PRO 165 Cb -0.15 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.61 3kax s PRO 165 CO -0.19 -1.67 0.96 -1.58 -0.33 0.00 0.00 177.00 174.19 3kax s HIS 166 N -1.46 2.69 0.19 6.54 2.46 -0.07 -4.78 115.29 120.87 3kax s HIS 166 Ca 0.82 -0.59 -0.28 0.00 0.47 0.00 0.00 55.06 55.48 3kax s HIS 166 Cb -0.37 -4.28 -0.08 0.00 -0.13 0.00 0.00 32.58 27.72 3kax s HIS 166 CO 0.41 -1.63 0.88 -0.80 -2.47 0.00 0.00 174.74 171.12 3kax s ASN 167 N 3.68 7.53 -0.02 9.88 -0.87 -1.26 -1.55 114.94 132.33 3kax s ASN 167 Ca 0.22 1.81 0.15 0.00 -1.57 0.00 0.00 52.86 53.47 3kax s ASN 167 Cb -0.17 -2.56 0.46 0.00 -0.02 0.00 0.00 41.25 38.96 3kax s ASN 167 CO 0.10 0.14 1.39 -0.81 -2.57 0.00 0.00 177.10 175.35 3kax n PRO 168 N 1.74 2.92 0.00 -0.60 -0.04 -1.26 -4.17 135.00 133.59 3kax n PRO 168 Ca -0.03 -2.37 0.13 0.00 -0.04 0.00 0.00 63.50 61.19 3kax n PRO 168 Cb 0.48 -1.46 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 3kax n PRO 168 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3kax n ILE 169 N 0.85 0.00 -1.44 0.52 -6.64 -0.85 -4.29 119.36 107.51 3kax n ILE 169 Ca 0.17 -0.28 -0.05 0.00 -1.77 0.00 0.00 62.75 60.83 3kax n ILE 169 Cb 0.56 0.84 -0.02 0.00 -1.44 0.00 0.00 39.64 39.58 3kax n ILE 169 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3kax n GLY 170 N 1.30 0.59 3.71 3.28 0.00 -0.59 -4.71 105.19 108.78 3kax n GLY 170 Ca 0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3kax n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kax s ARG 171 N -2.99 4.59 -0.38 1.61 1.81 -1.24 -0.13 118.95 122.21 3kax s ARG 171 Ca 0.00 1.45 -0.09 0.00 -1.72 0.00 0.00 55.73 55.37 3kax s ARG 171 Cb 0.00 -3.43 0.05 0.00 -0.45 0.00 0.00 34.95 31.11 3kax s ARG 171 CO 0.00 -0.00 0.19 0.08 -0.68 0.00 0.00 175.30 174.89 3kax s VAL 172 N 0.78 4.22 0.20 3.52 1.01 -1.26 -0.89 120.40 127.97 3kax s VAL 172 Ca 0.51 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3kax s VAL 172 Cb -0.22 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3kax s VAL 172 CO 0.29 -0.31 1.38 0.26 0.00 0.00 0.00 175.10 176.71 3kax s TRP 173 N 1.46 3.17 0.62 5.22 0.52 -1.26 -4.94 118.94 123.73 3kax s TRP 173 Ca 0.01 1.08 -0.15 0.00 0.02 0.00 0.00 56.10 57.06 3kax s TRP 173 Cb -0.21 -3.70 -0.02 0.00 -1.15 0.00 0.00 33.47 28.39 3kax s TRP 173 CO 0.04 -2.31 1.07 0.15 0.02 0.00 0.00 176.95 175.92 3kax s LYS 174 N 0.06 3.15 0.23 4.98 1.02 -1.26 -4.55 119.74 123.36 3kax s LYS 174 Ca 0.59 1.22 -0.07 0.00 0.02 0.00 0.00 55.97 57.74 3kax s LYS 174 Cb -0.39 -2.01 0.38 0.00 -0.52 0.00 0.00 37.83 35.29 3kax s LYS 174 CO 0.38 -0.95 1.71 -0.22 -0.92 0.00 0.00 175.35 175.35 3kax h LYS 175 N 0.22 0.31 -0.94 1.68 3.64 -1.94 -1.26 116.57 118.28 3kax h LYS 175 Ca -0.46 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 3kax h LYS 175 Cb 1.23 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 3kax h LYS 175 CO 0.56 0.21 0.61 1.05 -2.27 0.00 0.00 179.45 179.61 3kax h GLU 176 N 0.32 1.12 -0.16 1.90 4.11 -1.99 -0.05 114.58 119.83 3kax h GLU 176 Ca 0.36 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.68 3kax h GLU 176 Cb 0.56 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kax h GLU 176 CO -0.42 0.74 -0.07 0.93 0.07 0.00 0.00 179.01 180.26 3kax h GLU 177 N 1.15 0.33 -0.58 1.06 5.08 -1.64 -1.91 114.58 118.06 3kax h GLU 177 Ca 0.38 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3kax h GLU 177 Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kax h GLU 177 CO -0.13 0.63 0.09 -0.07 -1.00 0.00 0.00 179.01 178.54 3kax h LEU 178 N 0.01 0.89 -0.48 1.33 3.38 -0.96 -0.78 115.31 118.69 3kax h LEU 178 Ca 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3kax h LEU 178 Cb 0.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kax h LEU 178 CO 0.02 0.89 0.16 0.74 0.09 0.00 0.00 178.44 180.35 3kax h THR 179 N 0.88 1.22 -0.82 0.22 2.02 -0.98 0.26 112.91 115.71 3kax h THR 179 Ca 0.18 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 3kax h THR 179 Cb 0.39 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3kax h THR 179 CO 0.01 0.27 0.37 0.11 0.37 0.00 0.00 175.52 176.65 3kax h LYS 180 N 0.65 1.20 -0.20 6.66 1.57 -1.00 -0.67 116.57 124.78 3kax h LYS 180 Ca 0.16 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kax h LYS 180 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kax h LYS 180 CO -0.01 0.94 0.12 1.25 -0.57 0.00 0.00 179.45 181.19 3kax h LEU 181 N 1.18 0.25 -0.96 2.94 5.85 -0.78 -2.89 115.31 120.90 3kax h LEU 181 Ca 0.28 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3kax h LEU 181 Cb 0.16 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3kax h LEU 181 CO -0.03 0.23 0.61 1.23 -0.34 0.00 0.00 178.44 180.14 3kax h GLY 182 N 0.24 1.47 0.74 3.75 0.00 -0.13 -0.86 103.07 108.28 3kax h GLY 182 Ca 0.07 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3kax h GLY 182 CO -0.01 0.30 0.46 1.76 0.00 0.00 0.00 176.54 179.04 3kax h SER 183 N 1.10 0.72 -0.41 0.19 0.02 -0.97 0.46 113.55 114.66 3kax h SER 183 Ca 0.42 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.29 3kax h SER 183 Cb 0.20 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kax h SER 183 CO -0.18 0.47 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.77 3kax h LEU 184 N 0.85 0.84 -1.03 5.07 3.38 -1.14 -1.39 115.31 121.89 3kax h LEU 184 Ca 0.33 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kax h LEU 184 Cb 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3kax h LEU 184 CO -0.16 1.03 0.20 0.00 0.09 0.00 0.00 178.44 179.60 3kax h THR 186 N 0.88 1.30 -0.59 0.00 2.02 -0.89 0.14 112.91 115.77 3kax h THR 186 Ca 0.20 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3kax h THR 186 Cb 0.23 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3kax h THR 186 CO -0.01 0.40 0.23 0.50 0.37 0.00 0.00 175.52 177.01 3kax h LYS 187 N 0.33 0.86 -0.33 6.66 3.64 -0.79 -2.85 116.57 124.09 3kax h LYS 187 Ca 0.06 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kax h LYS 187 Cb 0.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3kax h LYS 187 CO 0.05 0.71 0.00 0.66 -2.27 0.00 0.00 179.45 178.60 3kax n TYR 188 N -4.32 0.43 -3.62 1.91 4.01 -0.53 -4.99 117.16 110.05 3kax n TYR 188 Ca 0.05 -0.31 -0.29 0.00 -0.16 0.00 0.00 57.90 57.19 3kax n TYR 188 Cb 0.17 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.24 3kax n TYR 188 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kax n ASN 189 N 0.96 -5.57 -4.73 7.72 5.15 -0.27 -4.99 115.26 113.53 3kax n ASN 189 Ca 0.14 -0.95 -0.35 0.00 -0.60 0.00 0.00 54.58 52.82 3kax n ASN 189 Cb 0.47 -3.59 -0.08 0.00 -0.53 0.00 0.00 39.78 36.05 3kax n ASN 189 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kax s VAL 190 N -3.42 5.01 0.13 3.44 1.01 0.33 -4.89 120.40 121.99 3kax s VAL 190 Ca 0.45 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 3kax s VAL 190 Cb -0.15 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 3kax s VAL 190 CO 0.85 0.53 0.80 -0.63 0.00 0.00 0.00 175.10 176.64 3kax s ILE 191 N -0.27 4.48 -0.16 2.22 1.01 -0.61 -4.76 121.20 123.12 3kax s ILE 191 Ca 0.09 1.74 -0.01 0.00 0.00 0.00 0.00 60.65 62.47 3kax s ILE 191 Cb -0.12 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 3kax s ILE 191 CO 0.01 0.45 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 3kax s VAL 192 N -0.69 2.98 -0.43 2.92 1.01 -0.09 -4.22 120.40 121.89 3kax s VAL 192 Ca 0.38 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3kax s VAL 192 Cb -0.22 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kax s VAL 192 CO 0.26 0.50 0.37 -0.69 0.00 0.00 0.00 175.10 175.53 3kax s VAL 193 N 0.77 5.19 -0.56 2.92 1.01 -1.26 -0.34 120.40 128.13 3kax s VAL 193 Ca -0.05 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 3kax s VAL 193 Cb -0.15 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.31 3kax s VAL 193 CO 0.01 -0.40 0.69 0.00 0.00 0.00 0.00 175.10 175.40 3kax s ALA 194 N 1.84 3.39 -0.81 5.51 0.00 0.17 -0.66 121.76 131.20 3kax s ALA 194 Ca 0.07 -2.04 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 3kax s ALA 194 Cb -0.19 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.49 3kax s ALA 194 CO 0.11 -2.25 1.31 0.34 0.00 0.00 0.00 175.76 175.27 3kax s ASP 195 N 3.30 6.26 -0.29 0.00 2.15 0.11 -0.67 116.67 127.53 3kax s ASP 195 Ca 0.13 -0.75 0.09 0.00 0.43 0.00 0.00 52.55 52.45 3kax s ASP 195 Cb -0.22 -2.56 0.51 0.00 -0.30 0.00 0.00 42.92 40.36 3kax s ASP 195 CO 0.08 -1.73 1.48 -0.62 -0.17 0.00 0.00 175.17 174.21 3kax n GLU 196 N 9.16 1.88 0.31 4.34 1.02 0.23 -1.30 120.64 136.29 3kax n GLU 196 Ca 0.11 -3.18 0.20 0.00 -0.02 0.00 0.00 57.16 54.28 3kax n GLU 196 Cb 0.49 -1.83 0.97 0.00 -0.02 0.00 0.00 31.44 31.06 3kax n GLU 196 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3kax h ILE 197 N 1.03 0.02 -0.47 -3.67 3.07 -1.76 -2.29 117.51 113.44 3kax h ILE 197 Ca 0.23 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.40 3kax h ILE 197 Cb 1.70 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3kax h ILE 197 CO 0.41 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.93 3kax n HIS 198 N -3.10 1.24 0.56 0.16 8.25 -1.26 -4.54 115.22 116.52 3kax n HIS 198 Ca -0.01 -0.47 0.11 0.00 -0.26 0.00 0.00 57.72 57.09 3kax n HIS 198 Cb 0.18 -0.26 0.44 0.00 1.12 0.00 0.00 29.99 31.48 3kax n HIS 198 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kax n SER 199 N 0.69 0.42 -0.15 0.41 3.41 -0.86 -3.17 113.62 114.36 3kax n SER 199 Ca 0.20 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 3kax n SER 199 Cb 0.77 -0.68 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 3kax n SER 199 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kax n ASP 200 N -1.93 0.99 -4.10 4.04 8.00 -1.26 -4.57 116.55 117.71 3kax n ASP 200 Ca 0.04 -0.78 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 3kax n ASP 200 Cb 0.27 0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 3kax n ASP 200 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kax s ILE 201 N -2.77 3.54 -0.10 0.53 -1.09 -1.19 -4.98 121.20 115.14 3kax s ILE 201 Ca 0.15 -2.60 0.03 0.00 -2.23 0.00 0.00 60.65 56.00 3kax s ILE 201 Cb 0.18 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3kax s ILE 201 CO 0.66 -0.80 -0.18 -0.63 -1.23 0.00 0.00 174.94 172.76 3kax s ILE 202 N 0.42 1.67 0.79 2.92 -1.09 -1.26 -0.27 121.20 124.37 3kax s ILE 202 Ca 0.13 -0.77 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3kax s ILE 202 Cb -0.21 -1.48 0.06 0.00 -1.58 0.00 0.00 42.46 39.25 3kax s ILE 202 CO -0.04 0.47 1.09 -0.31 -1.23 0.00 0.00 174.94 174.92 3kax s TYR 203 N 0.71 2.69 0.25 3.97 2.02 -0.19 -4.90 117.35 121.91 3kax s TYR 203 Ca -0.12 1.38 -0.06 0.00 -0.37 0.00 0.00 57.07 57.90 3kax s TYR 203 Cb -0.16 -3.05 0.48 0.00 -0.40 0.00 0.00 41.96 38.83 3kax s TYR 203 CO 0.02 -1.80 1.62 0.00 -1.57 0.00 0.00 175.55 173.83 3kax h ALA 204 N -1.12 0.83 -0.21 3.71 0.00 -1.95 -0.80 119.26 119.72 3kax h ALA 204 Ca -0.46 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kax h ALA 204 Cb 1.24 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3kax h ALA 204 CO 0.55 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 3kax n ASP 205 N -5.38 2.11 -4.25 0.00 8.00 -1.26 -4.86 116.55 110.91 3kax n ASP 205 Ca 0.15 -2.20 -0.14 0.00 0.71 0.00 0.00 54.79 53.31 3kax n ASP 205 Cb 0.51 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 3kax n ASP 205 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3kax s HIS 206 N -1.62 1.25 -0.02 1.24 3.76 -0.31 -5.15 115.29 114.45 3kax s HIS 206 Ca 0.18 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 3kax s HIS 206 Cb 0.12 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.16 3kax s HIS 206 CO 0.07 -0.03 0.02 0.99 -0.85 0.00 0.00 174.74 174.95 3kax s THR 207 N -3.45 -0.01 -0.12 1.30 2.01 -1.26 -4.72 115.64 109.39 3kax s THR 207 Ca 0.19 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 3kax s THR 207 Cb 0.04 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 3kax s THR 207 CO 0.02 0.09 0.86 -2.28 -0.69 0.00 0.00 174.62 172.62 3kax s HIS 208 N 0.97 3.49 -0.29 4.92 2.46 -1.26 -4.80 115.29 120.78 3kax s HIS 208 Ca -0.08 1.37 -0.03 0.00 0.47 0.00 0.00 55.06 56.79 3kax s HIS 208 Cb -0.12 -3.02 0.04 0.00 -0.13 0.00 0.00 32.58 29.35 3kax s HIS 208 CO -0.03 -0.16 0.00 0.99 -2.47 0.00 0.00 174.74 173.08 3kax s THR 209 N 1.77 3.12 0.09 0.89 2.01 -1.26 -4.89 115.64 117.37 3kax s THR 209 Ca 0.42 -1.23 -0.34 0.00 0.31 0.00 0.00 61.69 60.85 3kax s THR 209 Cb -0.18 -2.73 -0.13 0.00 0.01 0.00 0.00 72.50 69.48 3kax s THR 209 CO 0.16 -0.03 1.69 -2.65 -0.69 0.00 0.00 174.62 173.10 3kax n PRO 210 N 4.67 2.24 -0.25 4.92 -0.02 -1.26 -4.87 135.00 140.43 3kax n PRO 210 Ca -0.14 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.20 3kax n PRO 210 Cb 0.45 -2.62 0.18 0.00 -0.02 0.00 0.00 33.50 31.49 3kax n PRO 210 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kax h PHE 211 N 7.12 0.47 0.00 6.00 3.57 -1.98 -0.51 116.94 131.60 3kax h PHE 211 Ca -0.46 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3kax h PHE 211 Cb 1.25 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 3kax h PHE 211 CO 0.71 0.04 -0.02 0.00 -2.23 0.00 0.00 178.31 176.82 3kax h ALA 212 N 1.55 1.02 0.00 2.41 0.00 -1.89 -2.65 119.26 119.70 3kax h ALA 212 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kax h ALA 212 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kax h ALA 212 CO -0.41 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 177.73 3kax n SER 213 N -3.14 0.45 0.00 0.00 3.41 -0.20 -3.30 113.62 110.84 3kax n SER 213 Ca -0.01 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 59.12 3kax n SER 213 Cb 0.23 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 63.70 3kax n SER 213 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kax h LEU 214 N 0.00 0.52 -7.00 1.04 3.38 -1.53 -3.47 115.31 108.25 3kax h LEU 214 Ca 0.00 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 57.94 3kax h LEU 214 Cb 0.57 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.02 3kax h LEU 214 CO 0.00 0.75 0.57 -0.94 0.09 0.00 0.00 178.44 178.91 3kax s SER 215 N -6.80 -0.31 0.32 -0.43 1.04 -1.26 -5.01 113.70 101.25 3kax s SER 215 Ca -0.07 -0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 3kax s SER 215 Cb 0.14 0.33 0.53 0.00 0.10 0.00 0.00 66.02 67.11 3kax s SER 215 CO 0.79 -0.53 1.98 -0.33 0.98 0.00 0.00 173.24 176.13 3kax h GLU 216 N 2.00 0.98 -0.42 4.02 5.08 -1.91 0.02 114.58 124.36 3kax h GLU 216 Ca -0.19 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3kax h GLU 216 Cb 1.22 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3kax h GLU 216 CO 0.29 0.65 0.24 1.49 -1.00 0.00 0.00 179.01 180.68 3kax h GLU 217 N 1.01 0.47 -0.15 2.33 4.57 -1.95 -1.64 114.58 119.21 3kax h GLU 217 Ca 0.29 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.23 3kax h GLU 217 Cb -0.07 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3kax h GLU 217 CO -0.07 0.31 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.26 3kax h LEU 218 N 0.48 0.86 -1.38 1.64 3.38 -1.78 -2.80 115.31 115.71 3kax h LEU 218 Ca 0.17 -0.55 0.18 0.00 0.09 0.00 0.00 57.88 57.77 3kax h LEU 218 Cb 0.03 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 3kax h LEU 218 CO -0.09 1.34 0.59 0.00 0.09 0.00 0.00 178.44 180.37 3kax h ALA 219 N 0.65 2.02 0.00 1.53 0.00 -0.89 -2.08 119.26 120.49 3kax h ALA 219 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kax h ALA 219 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kax h ALA 219 CO 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3kax n ALA 220 N -2.47 2.25 -1.15 0.00 0.00 -0.63 -3.28 120.51 115.25 3kax n ALA 220 Ca 0.19 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3kax n ALA 220 Cb 0.61 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.72 3kax n ALA 220 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kax n ARG 221 N -1.38 1.13 -4.88 0.00 1.85 -0.80 -4.69 116.66 107.89 3kax n ARG 221 Ca 0.10 -1.93 -0.27 0.00 -1.00 0.00 0.00 57.85 54.74 3kax n ARG 221 Cb 0.25 -1.13 -0.16 0.00 -1.05 0.00 0.00 32.46 30.36 3kax n ARG 221 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3kax s THR 222 N -1.76 1.52 -0.35 8.89 2.01 -1.12 -0.91 115.64 123.92 3kax s THR 222 Ca 0.18 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3kax s THR 222 Cb 0.16 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3kax s THR 222 CO 0.02 0.44 0.20 -0.63 -0.69 0.00 0.00 174.62 173.95 3kax s ILE 223 N 0.18 4.70 -0.23 1.82 1.09 0.53 -4.47 121.20 124.82 3kax s ILE 223 Ca -0.08 -0.62 -0.09 0.00 -1.10 0.00 0.00 60.65 58.76 3kax s ILE 223 Cb -0.13 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 3kax s ILE 223 CO 0.04 -0.11 0.12 -0.89 -0.10 0.00 0.00 174.94 174.00 3kax s THR 224 N 1.60 4.98 0.25 2.92 2.01 -0.68 0.44 115.64 127.15 3kax s THR 224 Ca 0.04 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.15 3kax s THR 224 Cb -0.18 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3kax s THR 224 CO 0.07 0.36 0.19 0.00 -0.69 0.00 0.00 174.62 174.55 3kax n ALA 227 N -1.13 0.00 1.12 0.00 0.00 -1.26 -0.60 120.51 118.64 3kax n ALA 227 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3kax n ALA 227 Cb 0.58 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.34 3kax n ALA 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kax n PRO 228 N -0.47 2.03 0.00 0.00 -0.04 -1.26 -4.64 135.00 130.62 3kax n PRO 228 Ca 0.00 -1.51 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 3kax n PRO 228 Cb 0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 3kax n PRO 228 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3kax h SER 229 N 3.46 0.05 -0.23 3.54 0.02 -1.88 -3.30 113.55 115.22 3kax h SER 229 Ca 0.00 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3kax h SER 229 Cb 0.74 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3kax h SER 229 CO 0.00 0.28 -0.15 0.07 -1.14 0.00 0.00 176.83 175.89 3kax h LYS 230 N -0.18 0.51 -7.05 3.45 5.09 -1.85 -2.73 116.57 113.81 3kax h LYS 230 Ca 0.01 -0.24 -0.50 0.00 0.09 0.00 0.00 60.65 60.01 3kax h LYS 230 Cb 0.25 -0.01 0.06 0.00 0.10 0.00 0.00 32.23 32.64 3kax h LYS 230 CO 0.00 0.80 0.45 0.95 -2.09 0.00 0.00 179.45 179.56 3kax s THR 231 N -4.49 3.19 0.00 0.07 -4.23 -1.24 -3.51 115.64 105.42 3kax s THR 231 Ca -0.13 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3kax s THR 231 Cb 0.07 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3kax s THR 231 CO 0.78 -0.10 0.00 0.49 -0.54 0.00 0.00 174.62 175.25 3kax n PHE 232 N -0.92 0.00 -3.82 3.99 3.72 -1.26 -4.22 117.46 114.95 3kax n PHE 232 Ca 0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 3kax n PHE 232 Cb 0.50 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3kax n PHE 232 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3kax n ASN 233 N 0.00 -3.56 -1.30 4.37 4.05 -1.20 -4.44 115.26 113.18 3kax n ASN 233 Ca 0.00 -0.78 -0.04 0.00 0.45 0.00 0.00 54.58 54.21 3kax n ASN 233 Cb 0.00 -4.00 0.12 0.00 1.23 0.00 0.00 39.78 37.12 3kax n ASN 233 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3kax n ILE 234 N -4.56 1.98 0.02 -1.44 -5.35 -1.03 -4.78 119.36 104.20 3kax n ILE 234 Ca -0.08 -3.26 0.12 0.00 -0.27 0.00 0.00 62.75 59.26 3kax n ILE 234 Cb 0.58 -0.26 0.57 0.00 -1.74 0.00 0.00 39.64 38.80 3kax n ILE 234 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kax h ALA 235 N 1.47 2.10 0.00 -1.28 0.00 -1.90 -1.10 119.26 118.56 3kax h ALA 235 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kax h ALA 235 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kax h ALA 235 CO 0.26 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3kax n GLY 236 N -1.55 -1.11 0.04 0.00 0.00 -1.26 -1.71 105.19 99.59 3kax n GLY 236 Ca 0.06 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3kax n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kax n LEU 237 N -2.02 0.45 -3.38 0.99 4.32 -0.42 -4.98 117.00 111.96 3kax n LEU 237 Ca 0.02 0.34 -0.19 0.00 -0.02 0.00 0.00 56.01 56.15 3kax n LEU 237 Cb 0.18 -0.33 0.06 0.00 -1.62 0.00 0.00 43.42 41.71 3kax n LEU 237 CO 0.16 -0.02 0.01 0.00 -1.22 0.00 0.00 177.39 176.31 3kax n GLN 238 N -1.80 -2.42 -4.27 3.23 6.02 -0.70 -4.25 117.38 113.19 3kax n GLN 238 Ca 0.06 0.76 -0.33 0.00 -0.01 0.00 0.00 57.00 57.48 3kax n GLN 238 Cb 0.38 -5.42 -0.16 0.00 1.02 0.00 0.00 30.24 26.06 3kax n GLN 238 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kax s ALA 239 N -3.42 2.40 0.06 -1.58 0.00 -1.25 -4.45 121.76 113.52 3kax s ALA 239 Ca 0.41 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3kax s ALA 239 Cb -0.08 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3kax s ALA 239 CO 0.77 -0.24 0.11 -1.12 0.00 0.00 0.00 175.76 175.28 3kax s SER 240 N 1.14 0.21 -0.08 0.00 0.01 -0.19 -4.26 113.70 110.52 3kax s SER 240 Ca 0.01 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.67 3kax s SER 240 Cb -0.14 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.35 3kax s SER 240 CO -0.07 -0.60 -0.22 -0.63 0.41 0.00 0.00 173.24 172.13 3kax s ILE 241 N -3.23 1.88 -0.18 1.44 1.01 -1.26 -2.42 121.20 118.45 3kax s ILE 241 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3kax s ILE 241 Cb 0.02 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3kax s ILE 241 CO -0.07 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 3kax s ILE 242 N 0.28 2.98 -0.22 2.92 -1.09 0.13 -4.33 121.20 121.86 3kax s ILE 242 Ca -0.15 -0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 57.57 3kax s ILE 242 Cb -0.17 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 3kax s ILE 242 CO 0.07 0.49 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.62 3kax s ILE 243 N 1.00 3.67 -0.39 2.92 1.01 0.69 -0.13 121.20 129.97 3kax s ILE 243 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3kax s ILE 243 Cb -0.15 -2.68 0.13 0.00 0.01 0.00 0.00 42.46 39.77 3kax s ILE 243 CO -0.02 0.40 0.21 -0.63 0.00 0.00 0.00 174.94 174.91 3kax s ILE 244 N 1.45 0.93 0.41 2.92 1.01 0.06 -1.69 121.20 126.29 3kax s ILE 244 Ca 0.05 -2.12 0.08 0.00 0.00 0.00 0.00 60.65 58.66 3kax s ILE 244 Cb -0.14 -1.67 0.24 0.00 0.01 0.00 0.00 42.46 40.90 3kax s ILE 244 CO -0.01 -0.89 2.02 -0.65 0.00 0.00 0.00 174.94 175.41 3kax h PRO 245 N 7.02 0.46 -6.30 2.79 0.11 -1.78 -3.42 132.00 130.89 3kax h PRO 245 Ca -0.01 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.48 3kax h PRO 245 Cb 0.95 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 3kax h PRO 245 CO 0.41 0.36 0.86 1.21 -0.21 0.00 0.00 178.00 180.63 3kax s ASN 246 N -6.75 6.92 0.29 -2.05 3.84 -1.26 -4.93 114.94 111.00 3kax s ASN 246 Ca -0.08 1.10 -0.02 0.00 0.21 0.00 0.00 52.86 54.08 3kax s ASN 246 Cb 0.17 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.75 3kax s ASN 246 CO 0.73 -0.88 1.89 -0.08 -2.79 0.00 0.00 177.10 175.97 3kax h GLU 247 N 8.17 0.95 -0.28 0.43 4.81 -1.96 -0.63 114.58 126.07 3kax h GLU 247 Ca -0.21 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3kax h GLU 247 Cb 1.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3kax h GLU 247 CO 1.03 0.73 0.10 -0.22 -0.73 0.00 0.00 179.01 179.92 3kax h LYS 248 N 0.94 0.42 -0.70 1.92 3.64 -1.96 -0.37 116.57 120.47 3kax h LYS 248 Ca 0.23 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3kax h LYS 248 Cb 0.10 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3kax h LYS 248 CO -0.03 0.46 0.34 -0.07 -2.27 0.00 0.00 179.45 177.88 3kax h LEU 249 N 0.30 0.91 -0.56 5.20 3.38 -1.89 -2.18 115.31 120.48 3kax h LEU 249 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kax h LEU 249 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kax h LEU 249 CO -0.01 0.79 0.23 -0.09 0.09 0.00 0.00 178.44 179.45 3kax h ARG 250 N 0.98 0.83 -0.48 1.13 2.43 -0.93 -0.87 114.38 117.47 3kax h ARG 250 Ca 0.24 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3kax h ARG 250 Cb 0.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3kax h ARG 250 CO -0.03 0.71 -0.04 1.96 -1.51 0.00 0.00 179.97 181.06 3kax h GLN 251 N 0.76 0.83 -0.44 0.20 4.20 -0.95 -0.97 115.11 118.74 3kax h GLN 251 Ca 0.19 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3kax h GLN 251 Cb 0.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3kax h GLN 251 CO -0.02 0.86 0.19 0.00 -0.67 0.00 0.00 178.83 179.20 3kax h ALA 252 N 1.18 0.57 -0.12 3.87 0.00 -1.00 -0.20 119.26 123.56 3kax h ALA 252 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kax h ALA 252 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kax h ALA 252 CO 0.03 0.16 0.06 0.35 0.00 0.00 0.00 179.25 179.85 3kax h PHE 253 N 0.57 0.17 0.00 0.00 3.57 -0.93 -2.62 116.94 117.70 3kax h PHE 253 Ca 0.15 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 3kax h PHE 253 Cb 0.17 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3kax h PHE 253 CO -0.00 0.23 -0.47 1.79 -2.23 0.00 0.00 178.31 177.62 3kax h THR 254 N 0.06 1.27 -0.59 4.41 1.35 -1.10 -2.24 112.91 116.07 3kax h THR 254 Ca 0.04 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.21 3kax h THR 254 Cb 0.12 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 3kax h THR 254 CO -0.00 0.46 0.26 0.28 -0.25 0.00 0.00 175.52 176.27 3kax h SER 255 N 0.00 0.76 -0.15 5.36 0.02 -0.85 0.12 113.55 118.81 3kax h SER 255 Ca -0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3kax h SER 255 Cb 0.88 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3kax h SER 255 CO 0.06 0.67 0.01 0.40 -1.14 0.00 0.00 176.83 176.83 3kax h ILE 256 N 0.84 1.24 -0.76 3.27 1.08 -1.06 -2.14 117.51 119.97 3kax h ILE 256 Ca 0.20 -0.78 0.10 0.00 -0.39 0.00 0.00 64.86 63.99 3kax h ILE 256 Cb 0.13 1.47 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 3kax h ILE 256 CO -0.02 0.23 0.40 1.56 -0.69 0.00 0.00 178.15 179.63 3kax h GLN 257 N 0.01 0.65 -0.35 2.37 4.20 -0.97 -2.16 115.11 118.86 3kax h GLN 257 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3kax h GLN 257 Cb 0.34 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3kax h GLN 257 CO 0.01 0.43 0.12 -0.92 -0.67 0.00 0.00 178.83 177.80 3kax h TYR 258 N 0.67 0.54 0.00 2.96 3.20 -0.62 -1.27 116.97 122.46 3kax h TYR 258 Ca 0.37 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3kax h TYR 258 Cb 0.38 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3kax h TYR 258 CO -0.09 0.52 0.00 2.89 -1.64 0.00 0.00 178.16 179.84 3kax n ARG 259 N -4.67 0.21 0.00 1.82 1.85 -0.82 -1.42 116.66 113.63 3kax n ARG 259 Ca -0.01 0.36 0.14 0.00 -1.00 0.00 0.00 57.85 57.34 3kax n ARG 259 Cb 0.15 -1.85 0.51 0.00 -1.05 0.00 0.00 32.46 30.22 3kax n ARG 259 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3kax n GLN 260 N -2.24 1.51 -0.90 2.89 6.02 -0.84 -4.94 117.38 118.88 3kax n GLN 260 Ca 0.03 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 3kax n GLN 260 Cb 0.29 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3kax n GLN 260 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kax n GLY 261 N 1.20 0.50 3.73 1.08 0.00 -0.51 -5.02 105.19 106.16 3kax n GLY 261 Ca 0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3kax n GLY 261 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kax s PHE 262 N -2.00 3.13 -0.28 1.61 5.36 -0.54 -4.92 117.98 120.34 3kax s PHE 262 Ca 0.00 0.94 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 3kax s PHE 262 Cb 0.00 -3.78 -0.12 0.00 -0.34 0.00 0.00 43.02 38.78 3kax s PHE 262 CO 0.00 -2.66 0.33 0.72 -1.46 0.00 0.00 175.22 172.15 3kax n HIS 263 N 3.22 0.00 0.00 10.12 8.25 -1.26 -4.63 115.22 130.92 3kax n HIS 263 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3kax n HIS 263 Cb 0.41 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3kax n HIS 263 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kax n GLY 264 N 1.50 0.91 3.90 -1.41 0.00 -1.26 -5.03 105.19 103.80 3kax n GLY 264 Ca 0.00 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 3kax n GLY 264 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kax s LEU 265 N 0.00 3.04 0.73 0.99 1.43 -1.26 -5.02 118.68 118.60 3kax s LEU 265 Ca 0.00 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 3kax s LEU 265 Cb 0.00 -3.73 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3kax s LEU 265 CO 0.00 -1.23 1.10 0.54 0.23 0.00 0.00 176.35 176.99 3kax s ASN 266 N -4.34 4.68 0.26 2.29 2.20 -1.26 -4.92 114.94 113.84 3kax s ASN 266 Ca 0.56 1.91 -0.02 0.00 -0.94 0.00 0.00 52.86 54.38 3kax s ASN 266 Cb -0.11 -2.54 0.57 0.00 -2.00 0.00 0.00 41.25 37.18 3kax s ASN 266 CO 0.49 -1.92 1.68 0.40 -2.94 0.00 0.00 177.10 174.81 3kax h ILE 267 N -0.69 0.47 0.00 0.54 2.04 -1.95 -2.20 117.51 115.72 3kax h ILE 267 Ca -0.45 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3kax h ILE 267 Cb 1.24 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3kax h ILE 267 CO 0.52 0.05 -0.19 -0.26 0.00 0.00 0.00 178.15 178.27 3kax h PHE 268 N 0.30 0.00 -0.43 1.37 0.04 -1.92 -2.91 116.94 113.40 3kax h PHE 268 Ca 0.48 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.26 3kax h PHE 268 Cb 0.86 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 3kax h PHE 268 CO -0.23 0.11 0.26 0.00 -0.60 0.00 0.00 178.31 177.86 3kax h ALA 269 N 1.89 0.54 -0.18 2.45 0.00 -1.57 -0.36 119.26 122.02 3kax h ALA 269 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kax h ALA 269 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kax h ALA 269 CO 0.01 -0.05 0.06 1.88 0.00 0.00 0.00 179.25 181.16 3kax h TYR 270 N 0.54 0.30 -0.26 0.00 0.05 -1.51 -3.08 116.97 113.00 3kax h TYR 270 Ca 0.16 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.97 3kax h TYR 270 Cb -0.02 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.58 3kax h TYR 270 CO -0.06 0.39 -0.08 1.15 -1.05 0.00 0.00 178.16 178.51 3kax h THR 271 N 0.12 0.71 0.00 -2.88 2.02 -1.44 -0.08 112.91 111.37 3kax h THR 271 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3kax h THR 271 Cb 0.23 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3kax h THR 271 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3kax n ALA 272 N -2.53 1.38 0.00 6.16 0.00 -0.15 -2.64 120.51 122.73 3kax n ALA 272 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kax n ALA 272 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3kax n ALA 272 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kax n GLN 274 N 0.63 0.00 -0.09 0.00 6.02 -0.04 -0.63 117.38 123.27 3kax n GLN 274 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3kax n GLN 274 Cb 0.05 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.27 3kax n GLN 274 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kax h SER 275 N 0.00 0.98 -0.33 1.08 0.87 -1.77 -2.99 113.55 111.40 3kax h SER 275 Ca 0.00 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.01 3kax h SER 275 Cb 0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3kax h SER 275 CO 0.00 1.31 0.08 0.00 -0.53 0.00 0.00 176.83 177.69 3kax h ALA 276 N 0.71 1.38 -0.42 6.23 0.00 -1.15 -0.02 119.26 125.99 3kax h ALA 276 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kax h ALA 276 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kax h ALA 276 CO 0.12 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.47 3kax n TYR 277 N -4.31 0.55 0.00 0.00 4.01 -1.21 -4.37 117.16 111.83 3kax n TYR 277 Ca 0.02 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 3kax n TYR 277 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3kax n TYR 277 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3kax n THR 278 N 1.26 0.00 0.08 -0.72 -2.24 -0.98 -4.78 114.28 106.89 3kax n THR 278 Ca 0.19 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.00 3kax n THR 278 Cb 0.54 -0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.45 3kax n THR 278 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kax n GLU 279 N -2.21 1.36 -0.05 -0.78 1.02 -0.06 -4.68 120.64 115.24 3kax n GLU 279 Ca 0.00 -1.32 0.04 0.00 -0.02 0.00 0.00 57.16 55.86 3kax n GLU 279 Cb 0.34 -1.13 0.06 0.00 -0.02 0.00 0.00 31.44 30.69 3kax n GLU 279 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kax h ASN 281 N 0.21 0.63 -0.46 0.00 2.35 -1.86 -1.17 115.58 115.27 3kax h ASN 281 Ca 0.00 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3kax h ASN 281 Cb 0.70 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3kax h ASN 281 CO 0.01 0.35 0.01 0.44 -1.65 0.00 0.00 177.43 176.58 3kax h ASP 282 N 0.74 0.80 -0.72 5.81 5.19 -1.98 -0.71 116.42 125.55 3kax h ASP 282 Ca 0.40 -0.30 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3kax h ASP 282 Cb 0.40 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 3kax h ASP 282 CO -0.26 0.90 0.39 -0.25 -3.12 0.00 0.00 179.24 176.90 3kax h TRP 283 N 0.67 1.00 -0.09 4.55 7.01 -1.85 -1.44 115.95 125.80 3kax h TRP 283 Ca 0.13 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3kax h TRP 283 Cb 0.49 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 3kax h TRP 283 CO 0.04 0.71 0.03 1.25 -2.79 0.00 0.00 178.44 177.68 3kax h LEU 284 N 0.99 0.13 -0.46 0.65 5.85 -0.98 -0.82 115.31 120.67 3kax h LEU 284 Ca 0.25 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3kax h LEU 284 Cb 0.05 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3kax h LEU 284 CO -0.04 0.30 0.08 0.78 -0.34 0.00 0.00 178.44 179.21 3kax h ASN 285 N -0.04 -0.03 -0.68 1.25 2.35 -1.01 -0.80 115.58 116.62 3kax h ASN 285 Ca 0.03 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3kax h ASN 285 Cb 0.21 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3kax h ASN 285 CO -0.00 0.02 0.40 -0.33 -1.65 0.00 0.00 177.43 175.86 3kax h GLU 286 N 0.21 0.93 -0.41 0.81 5.08 -1.09 -2.49 114.58 117.62 3kax h GLU 286 Ca 0.23 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3kax h GLU 286 Cb 0.30 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kax h GLU 286 CO -0.31 0.67 0.17 0.82 -1.00 0.00 0.00 179.01 179.36 3kax h ILE 287 N 0.93 1.19 -0.32 3.13 1.08 -0.64 -1.76 117.51 121.12 3kax h ILE 287 Ca 0.24 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 3kax h ILE 287 Cb -0.01 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 3kax h ILE 287 CO -0.04 0.21 0.05 0.03 -0.69 0.00 0.00 178.15 177.71 3kax h ARG 288 N 0.52 0.16 -0.67 2.37 3.08 -1.03 0.02 114.38 118.81 3kax h ARG 288 Ca 0.14 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3kax h ARG 288 Cb 0.17 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3kax h ARG 288 CO -0.01 0.10 0.22 0.74 -1.07 0.00 0.00 179.97 179.95 3kax h PHE 289 N 0.16 1.07 -0.41 3.04 0.04 -1.30 -1.51 116.94 118.04 3kax h PHE 289 Ca 0.15 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3kax h PHE 289 Cb 0.17 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3kax h PHE 289 CO -0.19 0.86 0.08 -0.92 -0.60 0.00 0.00 178.31 177.54 3kax h TYR 290 N 0.97 0.70 -0.15 -0.55 3.20 -0.91 -2.31 116.97 117.93 3kax h TYR 290 Ca 0.22 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3kax h TYR 290 Cb 0.28 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3kax h TYR 290 CO 0.02 0.68 0.05 0.82 -1.64 0.00 0.00 178.16 178.09 3kax h ILE 291 N 0.52 1.17 -0.68 1.81 1.08 -0.84 -1.37 117.51 119.20 3kax h ILE 291 Ca 0.13 -0.51 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 3kax h ILE 291 Cb 0.34 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 3kax h ILE 291 CO 0.00 0.16 0.36 -0.08 -0.69 0.00 0.00 178.15 177.90 3kax h GLU 292 N 0.07 0.95 -0.70 2.37 4.81 -1.21 -0.57 114.58 120.30 3kax h GLU 292 Ca 0.05 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3kax h GLU 292 Cb 0.20 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3kax h GLU 292 CO -0.00 0.71 0.28 -0.44 -0.73 0.00 0.00 179.01 178.83 3kax h ASP 293 N 0.96 0.96 -0.90 1.04 3.32 -1.21 -1.66 116.42 118.93 3kax h ASP 293 Ca 0.24 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kax h ASP 293 Cb 0.04 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3kax h ASP 293 CO -0.04 0.86 0.59 0.78 -1.72 0.00 0.00 179.24 179.72 3kax h ASN 294 N 0.99 1.02 -0.52 6.45 2.35 -0.23 -0.70 115.58 124.93 3kax h ASN 294 Ca 0.23 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kax h ASN 294 Cb 0.20 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3kax h ASN 294 CO -0.02 0.72 0.19 0.00 -1.65 0.00 0.00 177.43 176.68 3kax h ALA 295 N 1.35 0.68 -0.37 -0.83 0.00 -0.77 0.67 119.26 119.98 3kax h ALA 295 Ca 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kax h ALA 295 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kax h ALA 295 CO -0.09 0.31 0.18 0.87 0.00 0.00 0.00 179.25 180.52 3kax h LYS 296 N 0.71 0.53 -0.12 0.00 1.57 -0.97 -1.05 116.57 117.23 3kax h LYS 296 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3kax h LYS 296 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3kax h LYS 296 CO -0.01 0.47 0.08 0.35 -0.57 0.00 0.00 179.45 179.76 3kax h PHE 297 N 0.46 0.15 -0.54 -1.35 3.57 -0.85 -1.31 116.94 117.07 3kax h PHE 297 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3kax h PHE 297 Cb 0.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3kax h PHE 297 CO -0.02 0.09 0.18 0.00 -2.23 0.00 0.00 178.31 176.34 3kax h ALA 298 N 1.05 0.71 -0.53 2.41 0.00 -0.73 0.15 119.26 122.32 3kax h ALA 298 Ca 0.05 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3kax h ALA 298 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kax h ALA 298 CO -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.51 3kax h GLU 300 N 0.88 0.96 -0.40 0.00 5.08 -1.00 -0.98 114.58 119.12 3kax h GLU 300 Ca 0.14 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3kax h GLU 300 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3kax h GLU 300 CO 0.04 0.90 0.18 -0.92 -1.00 0.00 0.00 179.01 178.22 3kax h TYR 301 N 0.86 0.59 -0.26 4.33 3.20 -0.25 -0.54 116.97 124.90 3kax h TYR 301 Ca 0.18 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3kax h TYR 301 Cb 0.39 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3kax h TYR 301 CO 0.03 0.51 0.10 0.82 -1.64 0.00 0.00 178.16 177.97 3kax h ILE 302 N 0.51 1.18 -0.53 1.81 2.04 -1.06 0.59 117.51 122.06 3kax h ILE 302 Ca 0.14 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.48 3kax h ILE 302 Cb 0.15 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3kax h ILE 302 CO -0.01 0.19 0.26 0.50 0.00 0.00 0.00 178.15 179.08 3kax h LYS 303 N 0.27 0.48 0.08 2.37 3.64 -1.05 -0.74 116.57 121.63 3kax h LYS 303 Ca 0.09 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 3kax h LYS 303 Cb 0.20 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3kax h LYS 303 CO -0.01 0.32 -1.13 -0.44 -2.27 0.00 0.00 179.45 175.92 3kax h ASP 304 N 0.49 0.51 0.00 4.20 3.32 -0.91 -3.41 116.42 120.62 3kax h ASP 304 Ca 0.24 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3kax h ASP 304 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kax h ASP 304 CO -0.18 1.33 -0.31 1.41 -1.72 0.00 0.00 179.24 179.78 3kax n HIS 305 N -3.64 0.00 -3.31 4.55 8.25 0.18 -4.84 115.22 116.41 3kax n HIS 305 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 3kax n HIS 305 Cb 0.95 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.98 3kax n HIS 305 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3kax n ILE 306 N -1.03 0.87 0.36 1.59 5.41 -0.29 -4.95 119.36 121.33 3kax n ILE 306 Ca 0.00 -4.63 0.13 0.00 1.00 0.00 0.00 62.75 59.25 3kax n ILE 306 Cb 0.00 -2.03 0.55 0.00 -0.71 0.00 0.00 39.64 37.44 3kax n ILE 306 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3kax h PRO 307 N 4.09 0.00 0.00 0.38 0.13 -1.81 -1.31 132.00 133.48 3kax h PRO 307 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3kax h PRO 307 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3kax h PRO 307 CO 0.65 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.67 3kax n THR 308 N -2.42 0.73 -4.20 1.56 -2.24 -1.26 -4.77 114.28 101.68 3kax n THR 308 Ca 0.02 0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 3kax n THR 308 Cb 0.23 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 3kax n THR 308 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kax s LEU 309 N -3.43 3.24 0.03 3.22 1.43 -0.49 -4.34 118.68 118.34 3kax s LEU 309 Ca 0.08 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3kax s LEU 309 Cb 0.12 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3kax s LEU 309 CO 0.37 -0.15 -0.03 -0.94 0.23 0.00 0.00 176.35 175.84 3kax s SER 310 N -3.76 0.35 0.00 2.29 1.04 -0.87 -4.88 113.70 107.87 3kax s SER 310 Ca 0.34 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kax s SER 310 Cb -0.04 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3kax s SER 310 CO 0.21 -0.44 0.00 0.55 0.98 0.00 0.00 173.24 174.55 3kax n VAL 311 N 0.92 0.00 -5.03 5.02 3.14 -1.26 -0.10 118.33 121.02 3kax n VAL 311 Ca -0.19 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.89 3kax n VAL 311 Cb 0.58 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.19 3kax n VAL 311 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3kax s LYS 313 N 1.88 2.53 0.71 1.45 2.36 -1.26 -5.06 119.74 122.35 3kax s LYS 313 Ca 0.00 -0.74 -0.11 0.00 -2.55 0.00 0.00 55.97 52.57 3kax s LYS 313 Cb 0.00 -1.99 0.01 0.00 -1.05 0.00 0.00 37.83 34.80 3kax s LYS 313 CO 0.00 0.17 1.07 -1.25 1.55 0.00 0.00 175.35 176.89 3kax s PRO 314 N 0.33 2.87 0.00 4.03 0.04 -1.26 -4.96 135.00 136.04 3kax s PRO 314 Ca -0.15 0.75 0.10 0.00 0.04 0.00 0.00 61.00 61.74 3kax s PRO 314 Cb -0.16 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3kax s PRO 314 CO 0.06 -1.10 0.55 0.39 0.04 0.00 0.00 177.00 176.95 3kax n GLU 315 N -3.10 2.64 -3.25 4.56 1.02 0.81 -4.99 120.64 118.33 3kax n GLU 315 Ca 0.07 -0.42 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 3kax n GLU 315 Cb 0.55 -1.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.95 3kax n GLU 315 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kax n GLY 316 N 0.98 0.56 7.00 0.62 0.00 -1.21 -1.02 105.19 112.11 3kax n GLY 316 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3kax n GLY 316 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kax n SER 317 N -0.93 -4.22 -1.17 1.61 2.88 0.63 -4.62 113.62 107.80 3kax n SER 317 Ca 0.01 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.60 3kax n SER 317 Cb 0.41 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.96 3kax n SER 317 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3kax n PHE 318 N -0.89 0.02 -4.87 0.66 1.16 -1.26 -4.92 117.46 107.36 3kax n PHE 318 Ca 0.00 -0.90 -0.30 0.00 -1.87 0.00 0.00 57.45 54.38 3kax n PHE 318 Cb 0.00 -0.19 -0.14 0.00 -1.61 0.00 0.00 39.48 37.54 3kax n PHE 318 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3kax s LEU 319 N -1.28 2.28 -0.06 5.98 1.43 -1.26 -0.27 118.68 125.50 3kax s LEU 319 Ca 0.36 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3kax s LEU 319 Cb 0.38 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 3kax s LEU 319 CO -0.13 0.26 -0.14 -0.22 0.23 0.00 0.00 176.35 176.35 3kax s LEU 320 N -1.24 2.71 -0.24 1.79 2.96 0.01 -4.81 118.68 119.87 3kax s LEU 320 Ca 0.12 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3kax s LEU 320 Cb -0.10 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.08 3kax s LEU 320 CO 0.03 0.32 -0.12 0.86 -1.32 0.00 0.00 176.35 176.12 3kax s TRP 321 N -0.58 2.97 -0.19 5.38 -0.00 -1.26 -1.56 118.94 123.69 3kax s TRP 321 Ca 0.08 -2.05 -0.04 0.00 -0.00 0.00 0.00 56.10 54.10 3kax s TRP 321 Cb -0.11 -1.85 -0.02 0.00 -0.00 0.00 0.00 33.47 31.49 3kax s TRP 321 CO 0.01 -0.84 -0.04 0.42 -0.00 0.00 0.00 176.95 176.51 3kax s ILE 322 N 1.21 3.66 -0.31 5.86 1.01 0.26 -4.67 121.20 128.22 3kax s ILE 322 Ca -0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 3kax s ILE 322 Cb -0.18 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3kax s ILE 322 CO -0.07 0.45 0.85 -0.62 0.00 0.00 0.00 174.94 175.55 3kax s ASP 323 N 0.94 6.73 -0.03 3.58 -1.08 0.86 -1.33 116.67 126.34 3kax s ASP 323 Ca 0.00 0.75 0.16 0.00 -0.52 0.00 0.00 52.55 52.95 3kax s ASP 323 Cb -0.15 -2.44 0.50 0.00 -1.46 0.00 0.00 42.92 39.38 3kax s ASP 323 CO 0.01 -0.67 1.42 0.00 0.52 0.00 0.00 175.17 176.45 3kax h SER 325 N 3.08 0.26 0.14 0.00 4.64 -1.85 -1.79 113.55 118.03 3kax h SER 325 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kax h SER 325 Cb 0.97 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3kax h SER 325 CO 0.05 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 3kax h ALA 326 N 1.78 1.00 0.00 5.18 0.00 -1.84 -2.06 119.26 123.32 3kax h ALA 326 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kax h ALA 326 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kax h ALA 326 CO -0.04 0.00 -0.49 -0.07 0.00 0.00 0.00 179.25 178.65 3kax h LEU 327 N 0.00 0.00 -2.60 0.00 3.38 -1.54 -3.48 115.31 111.06 3kax h LEU 327 Ca 0.00 -0.07 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 3kax h LEU 327 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kax h LEU 327 CO 0.00 0.03 -0.93 0.59 0.09 0.00 0.00 178.44 178.22 3kax n ASN 328 N -2.54 -2.11 -4.71 -0.43 4.13 -0.78 -4.99 115.26 103.83 3kax n ASN 328 Ca 0.03 -1.09 -0.31 0.00 1.68 0.00 0.00 54.58 54.89 3kax n ASN 328 Cb 0.49 -2.75 -0.08 0.00 -1.54 0.00 0.00 39.78 35.90 3kax n ASN 328 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kax s LEU 329 N -6.96 3.57 0.74 3.41 1.43 -1.26 -5.12 118.68 114.49 3kax s LEU 329 Ca 0.21 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3kax s LEU 329 Cb -0.09 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.92 3kax s LEU 329 CO 0.91 0.19 1.08 -0.94 0.23 0.00 0.00 176.35 177.82 3kax s SER 330 N -2.21 4.84 0.17 2.29 1.04 -1.26 -4.84 113.70 113.74 3kax s SER 330 Ca 0.26 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.28 3kax s SER 330 Cb -0.12 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.63 3kax s SER 330 CO 0.18 -1.81 1.70 -0.61 0.98 0.00 0.00 173.24 173.68 3kax h GLN 331 N -0.97 0.13 -0.42 4.02 4.15 -1.99 0.04 115.11 120.06 3kax h GLN 331 Ca -0.44 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.00 3kax h GLN 331 Cb 1.22 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 3kax h GLN 331 CO 0.53 0.09 0.23 -0.44 -1.93 0.00 0.00 178.83 177.31 3kax h ASP 332 N 0.13 0.35 -0.44 -0.69 3.32 -1.99 -0.14 116.42 116.96 3kax h ASP 332 Ca 0.21 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3kax h ASP 332 Cb 0.30 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kax h ASP 332 CO -0.33 0.25 0.12 -0.33 -1.72 0.00 0.00 179.24 177.23 3kax h GLU 333 N 0.46 0.70 -0.18 3.56 5.08 -1.82 -1.36 114.58 121.02 3kax h GLU 333 Ca 0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3kax h GLU 333 Cb 0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kax h GLU 333 CO -0.10 0.69 0.07 -0.09 -1.00 0.00 0.00 179.01 178.58 3kax h ARG 334 N 0.58 0.27 -0.76 2.33 2.43 -0.85 -1.98 114.38 116.41 3kax h ARG 334 Ca 0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3kax h ARG 334 Cb 0.29 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3kax h ARG 334 CO -0.00 0.34 0.45 1.15 -1.51 0.00 0.00 179.97 180.41 3kax h THR 335 N 0.14 1.22 -0.73 0.20 2.02 -0.89 -1.45 112.91 113.41 3kax h THR 335 Ca 0.06 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3kax h THR 335 Cb 0.18 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3kax h THR 335 CO -0.00 0.23 0.43 0.50 0.37 0.00 0.00 175.52 177.04 3kax h LYS 336 N 1.04 0.99 -0.50 6.66 3.64 -1.08 -1.85 116.57 125.46 3kax h LYS 336 Ca 0.27 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3kax h LYS 336 Cb -0.03 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3kax h LYS 336 CO -0.05 0.71 0.09 1.25 -2.27 0.00 0.00 179.45 179.17 3kax h LEU 337 N 0.99 0.80 0.02 5.20 5.85 -1.08 -0.51 115.31 126.58 3kax h LEU 337 Ca 0.26 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kax h LEU 337 Cb -0.02 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3kax h LEU 337 CO -0.05 0.85 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.81 3kax h LEU 338 N 0.71 -0.08 0.00 2.25 3.38 -1.03 0.25 115.31 120.79 3kax h LEU 338 Ca 0.15 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3kax h LEU 338 Cb 0.39 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3kax h LEU 338 CO 0.01 -0.05 -0.87 1.05 0.09 0.00 0.00 178.44 178.67 3kax h GLU 339 N -0.06 0.00 0.07 1.13 4.11 -1.30 0.10 114.58 118.63 3kax h GLU 339 Ca 0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.12 3kax h GLU 339 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3kax h GLU 339 CO -0.02 0.74 -1.75 0.39 0.07 0.00 0.00 179.01 178.44 3kax n GLU 340 N -3.26 0.67 -0.06 1.06 1.02 -0.21 -3.03 120.64 116.84 3kax n GLU 340 Ca -0.01 0.38 -0.12 0.00 -0.02 0.00 0.00 57.16 57.40 3kax n GLU 340 Cb 0.86 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.43 3kax n GLU 340 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3kax n LYS 341 N -3.88 0.67 -0.00 3.49 4.81 0.04 -4.31 118.16 118.98 3kax n LYS 341 Ca -0.34 0.17 0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3kax n LYS 341 Cb 0.90 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 34.18 3kax n LYS 341 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kax n GLY 342 N 1.75 -0.69 4.08 3.14 0.00 -0.45 -4.53 105.19 108.48 3kax n GLY 342 Ca -0.27 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 3kax n GLY 342 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kax n LYS 343 N -1.43 -3.52 -4.50 1.61 4.01 0.22 -4.80 118.16 109.76 3kax n LYS 343 Ca 0.03 0.41 -0.20 0.00 -0.51 0.00 0.00 58.31 58.04 3kax n LYS 343 Cb 0.28 -4.91 -0.15 0.00 -0.51 0.00 0.00 35.03 29.74 3kax n LYS 343 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 3kax s ILE 344 N -3.57 0.94 -0.29 -0.18 2.07 -0.74 -0.99 121.20 118.44 3kax s ILE 344 Ca 0.43 -0.56 -0.07 0.00 -1.41 0.00 0.00 60.65 59.03 3kax s ILE 344 Cb -0.23 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.57 3kax s ILE 344 CO 0.90 0.23 0.09 -0.63 -1.91 0.00 0.00 174.94 173.62 3kax s ILE 345 N -0.35 4.13 0.46 2.00 -1.09 0.68 -3.38 121.20 123.65 3kax s ILE 345 Ca 0.04 -0.57 0.06 0.00 -2.23 0.00 0.00 60.65 57.94 3kax s ILE 345 Cb -0.05 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3kax s ILE 345 CO -0.00 0.11 0.16 0.68 -1.23 0.00 0.00 174.94 174.66 3kax s VAL 346 N 1.54 1.89 -0.19 2.92 -7.23 -1.26 -0.05 120.40 118.01 3kax s VAL 346 Ca 0.04 -1.76 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 3kax s VAL 346 Cb -0.17 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3kax s VAL 346 CO 0.03 0.00 0.78 -0.70 -0.31 0.00 0.00 175.10 174.90 3kax s GLU 347 N -3.95 4.25 0.29 4.82 2.56 -0.68 -4.91 118.70 121.09 3kax s GLU 347 Ca 0.31 0.90 -0.28 0.00 0.00 0.00 0.00 54.97 55.89 3kax s GLU 347 Cb 0.03 -3.59 -0.09 0.00 2.00 0.00 0.00 34.13 32.48 3kax s GLU 347 CO 0.17 -0.35 1.03 -1.25 -0.56 0.00 0.00 175.26 174.31 3kax s PRO 348 N 2.24 4.62 0.08 4.30 0.04 -1.26 -0.47 135.00 144.56 3kax s PRO 348 Ca 0.35 1.62 0.25 0.00 0.04 0.00 0.00 61.00 63.26 3kax s PRO 348 Cb -0.16 -3.07 0.51 0.00 0.04 0.00 0.00 34.50 31.82 3kax s PRO 348 CO 0.11 0.25 1.44 0.41 0.04 0.00 0.00 177.00 179.25 3kax n GLY 349 N 1.07 -1.41 0.36 0.56 0.00 0.17 -4.42 105.19 101.53 3kax n GLY 349 Ca -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.83 3kax n GLY 349 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kax h GLU 350 N 0.00 0.93 0.00 1.61 3.07 -1.77 -0.72 114.58 117.69 3kax h GLU 350 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3kax h GLU 350 Cb 0.66 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3kax h GLU 350 CO 0.00 0.62 0.00 1.17 -1.40 0.00 0.00 179.01 179.40 3kax n LYS 351 N -4.49 0.73 0.00 2.33 4.81 -1.26 -2.55 118.16 117.73 3kax n LYS 351 Ca 0.13 0.01 0.15 0.00 -0.87 0.00 0.00 58.31 57.73 3kax n LYS 351 Cb 0.22 -1.50 0.76 0.00 0.02 0.00 0.00 35.03 34.54 3kax n LYS 351 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3kax n TYR 352 N -1.06 0.00 -2.77 5.64 4.01 -0.28 -4.52 117.16 118.18 3kax n TYR 352 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3kax n TYR 352 Cb 0.12 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3kax n TYR 352 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kax n GLY 353 N 1.21 -1.65 3.72 2.72 0.00 -1.06 -1.76 105.19 108.38 3kax n GLY 353 Ca 0.17 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3kax n GLY 353 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kax s LEU 354 N 0.00 4.37 0.00 0.99 2.96 -1.26 -0.86 118.68 124.88 3kax s LEU 354 Ca 0.00 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 3kax s LEU 354 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3kax s LEU 354 CO 0.00 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 3kax n GLY 355 N 3.87 0.33 0.04 7.98 0.00 -1.26 -2.11 105.19 114.04 3kax n GLY 355 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3kax n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kax n GLY 356 N -1.90 -0.95 3.72 -0.02 0.00 -0.04 -4.80 105.19 101.20 3kax n GLY 356 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3kax n GLY 356 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kax n GLU 357 N -2.41 2.47 -1.96 1.61 0.00 -1.25 -1.55 120.64 117.55 3kax n GLU 357 Ca -0.14 0.88 -0.19 0.00 0.00 0.00 0.00 57.16 57.71 3kax n GLU 357 Cb 0.76 -2.62 -0.05 0.00 0.00 0.00 0.00 31.44 29.53 3kax n GLU 357 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kax n GLU 358 N 2.23 -1.60 -4.36 3.44 1.02 -1.26 -4.89 120.64 115.21 3kax n GLU 358 Ca 0.10 1.03 -0.26 0.00 -0.02 0.00 0.00 57.16 58.01 3kax n GLU 358 Cb 0.35 -5.52 -0.10 0.00 -0.02 0.00 0.00 31.44 26.14 3kax n GLU 358 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3kax s HIS 359 N -2.77 2.48 0.14 -0.32 3.76 -0.60 -0.17 115.29 117.82 3kax s HIS 359 Ca 0.00 -0.28 0.06 0.00 -0.15 0.00 0.00 55.06 54.69 3kax s HIS 359 Cb 0.00 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 3kax s HIS 359 CO 0.00 0.55 -0.14 0.96 -0.85 0.00 0.00 174.74 175.27 3kax s ILE 360 N -1.89 1.39 -0.05 0.60 -4.36 -0.44 -0.66 121.20 115.80 3kax s ILE 360 Ca 0.25 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.82 3kax s ILE 360 Cb -0.08 -1.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 3kax s ILE 360 CO 0.14 -0.50 -0.17 -0.83 0.24 0.00 0.00 174.94 173.82 3kax s GLY 361 N -2.73 1.47 0.09 6.27 0.00 0.38 -0.58 107.32 112.22 3kax s GLY 361 Ca 0.13 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.91 3kax s GLY 361 CO 0.03 -0.78 -0.20 -0.26 0.00 0.00 0.00 173.10 171.90 3kax s ILE 362 N -0.66 1.59 -0.25 0.90 -4.36 -0.60 -1.69 121.20 116.13 3kax s ILE 362 Ca 0.10 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 58.88 3kax s ILE 362 Cb -0.11 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3kax s ILE 362 CO 0.00 -0.04 0.54 0.21 0.24 0.00 0.00 174.94 175.89 3kax s ASN 363 N -1.73 6.49 0.00 4.36 3.84 0.11 -0.81 114.94 127.21 3kax s ASN 363 Ca 0.05 0.59 0.22 0.00 0.21 0.00 0.00 52.86 53.93 3kax s ASN 363 Cb -0.10 -2.29 0.55 0.00 -0.55 0.00 0.00 41.25 38.86 3kax s ASN 363 CO 0.03 -0.28 1.48 2.30 -2.79 0.00 0.00 177.10 177.84 3kax n ILE 364 N 5.03 0.81 -1.69 -5.21 -5.35 0.62 -4.58 119.36 109.00 3kax n ILE 364 Ca -0.04 -0.90 -0.40 0.00 -0.27 0.00 0.00 62.75 61.14 3kax n ILE 364 Cb 0.50 0.69 -0.01 0.00 -1.74 0.00 0.00 39.64 39.07 3kax n ILE 364 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kax n GLY 365 N 1.56 4.65 3.39 3.28 0.00 -1.21 -4.84 105.19 112.02 3kax n GLY 365 Ca 0.22 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3kax n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kax s PRO 367 N -4.04 3.81 0.30 0.00 0.02 -1.26 -4.80 135.00 129.03 3kax s PRO 367 Ca 0.25 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.68 3kax s PRO 367 Cb 0.03 -2.72 0.77 0.00 0.02 0.00 0.00 34.50 32.60 3kax s PRO 367 CO 0.07 -0.69 1.70 -0.09 -0.33 0.00 0.00 177.00 177.65 3kax h ARG 368 N 2.50 0.40 -0.61 5.54 9.65 -1.97 -0.28 114.38 129.61 3kax h ARG 368 Ca -0.50 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.29 3kax h ARG 368 Cb 1.26 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 3kax h ARG 368 CO 0.62 0.26 0.13 0.66 2.80 0.00 0.00 179.97 184.44 3kax h SER 369 N 0.41 0.91 -0.34 -3.80 4.64 -2.00 0.58 113.55 113.95 3kax h SER 369 Ca 0.58 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3kax h SER 369 Cb 1.12 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3kax h SER 369 CO -0.53 0.89 0.07 0.58 -0.87 0.00 0.00 176.83 176.97 3kax h VAL 370 N 0.92 1.23 -0.83 0.95 2.07 -1.47 -2.43 116.25 116.67 3kax h VAL 370 Ca 0.19 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3kax h VAL 370 Cb 0.36 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3kax h VAL 370 CO 0.00 0.26 0.51 0.25 0.02 0.00 0.00 177.57 178.62 3kax h LEU 371 N 0.39 0.99 -0.77 2.57 5.85 -0.69 -0.85 115.31 122.82 3kax h LEU 371 Ca 0.11 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kax h LEU 371 Cb 0.32 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3kax h LEU 371 CO 0.00 0.76 0.50 -0.08 -0.34 0.00 0.00 178.44 179.28 3kax h GLU 372 N 1.14 1.01 -0.05 1.25 4.81 -0.77 -0.07 114.58 121.91 3kax h GLU 372 Ca 0.30 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3kax h GLU 372 Cb -0.06 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 3kax h GLU 372 CO -0.06 0.68 0.03 1.49 -0.73 0.00 0.00 179.01 180.42 3kax h GLU 373 N 1.04 0.06 -0.50 1.92 4.57 -1.03 -0.58 114.58 120.05 3kax h GLU 373 Ca 0.28 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 3kax h GLU 373 Cb -0.11 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.39 3kax h GLU 373 CO -0.06 0.07 0.05 0.82 -1.18 0.00 0.00 179.01 178.72 3kax h ILE 374 N 0.03 0.66 -0.61 2.32 2.04 -0.71 0.33 117.51 121.57 3kax h ILE 374 Ca 0.02 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kax h ILE 374 Cb 0.03 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3kax h ILE 374 CO -0.00 0.03 0.17 -0.07 0.00 0.00 0.00 178.15 178.28 3kax h LEU 375 N 0.18 0.91 -0.87 1.44 3.38 -0.73 -0.31 115.31 119.30 3kax h LEU 375 Ca 0.25 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3kax h LEU 375 Cb 0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3kax h LEU 375 CO -0.38 0.89 0.55 0.78 0.09 0.00 0.00 178.44 180.38 3kax h ASN 376 N 0.88 0.89 -0.55 -0.43 -0.26 -0.56 0.19 115.58 115.74 3kax h ASN 376 Ca 0.19 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 3kax h ASN 376 Cb 0.32 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3kax h ASN 376 CO -0.00 0.59 0.19 0.03 -1.06 0.00 0.00 177.43 177.18 3kax h ARG 377 N 1.04 0.85 -0.58 0.81 2.47 -0.41 -1.22 114.38 117.34 3kax h ARG 377 Ca 0.37 -0.17 -0.08 0.00 -1.26 0.00 0.00 59.98 58.83 3kax h ARG 377 Cb 0.10 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 3kax h ARG 377 CO -0.15 0.76 0.06 -0.07 0.56 0.00 0.00 179.97 181.14 3kax h LEU 378 N 0.77 0.95 -0.44 3.04 3.38 -0.53 -1.18 115.31 121.30 3kax h LEU 378 Ca 0.18 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kax h LEU 378 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kax h LEU 378 CO -0.01 0.99 0.29 -0.09 0.09 0.00 0.00 178.44 179.71 3kax h ARG 379 N 0.88 0.57 -0.63 1.13 2.43 -0.39 -2.33 114.38 116.04 3kax h ARG 379 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3kax h ARG 379 Cb 0.47 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3kax h ARG 379 CO 0.02 0.37 0.16 1.25 -1.51 0.00 0.00 179.97 180.26 3kax h HIS 380 N 0.58 1.01 -0.36 2.20 2.76 -1.00 -2.95 115.15 117.39 3kax h HIS 380 Ca 0.16 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3kax h HIS 380 Cb -0.06 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 3kax h HIS 380 CO -0.05 0.83 0.24 1.15 -1.30 0.00 0.00 177.93 178.80 3kax h THR 381 N 0.93 1.09 -0.85 6.26 2.02 -0.81 -3.27 112.91 118.29 3kax h THR 381 Ca 0.20 -0.17 -0.59 0.00 0.77 0.00 0.00 66.41 66.63 3kax h THR 381 Cb 0.32 0.56 -0.33 0.00 -1.74 0.00 0.00 68.15 66.96 3kax h THR 381 CO -0.00 0.09 0.13 0.49 0.37 0.00 0.00 175.52 176.60 3kax n PHE 382 N -4.84 2.88 -0.78 3.16 3.72 -0.91 -4.98 117.46 115.72 3kax n PHE 382 Ca -0.00 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 3kax n PHE 382 Cb 0.02 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 3kax n PHE 382 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58