#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kax s THR 20 N 0.00 -0.01 -0.30 -3.53 -1.32 -1.26 -5.12 115.64 104.10 3kax s THR 20 Ca 0.00 0.03 0.11 0.00 -1.21 0.00 0.00 61.69 60.61 3kax s THR 20 Cb 0.00 -0.72 0.64 0.00 -1.51 0.00 0.00 72.50 70.91 3kax s THR 20 CO 0.00 0.01 1.66 -1.22 -2.21 0.00 0.00 174.62 172.86 3kax n TYR 21 N 3.38 1.90 -0.24 9.09 4.01 -1.26 -4.67 117.16 129.37 3kax n TYR 21 Ca -0.17 -1.29 0.03 0.00 -0.16 0.00 0.00 57.90 56.31 3kax n TYR 21 Cb 0.56 -0.59 0.15 0.00 -0.31 0.00 0.00 39.34 39.15 3kax n TYR 21 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3kax h LYS 22 N 1.95 0.46 0.00 -0.72 1.63 -1.89 -3.10 116.57 114.90 3kax h LYS 22 Ca 0.24 -0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.79 3kax h LYS 22 Cb 2.05 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 33.55 3kax h LYS 22 CO 0.59 0.31 -1.14 -0.97 -3.45 0.00 0.00 179.45 174.79 3kax h ASN 23 N 0.48 0.00 -3.81 4.20 -1.24 -2.01 -3.47 115.58 109.73 3kax h ASN 23 Ca 0.37 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.94 3kax h ASN 23 Cb 0.49 0.00 0.17 0.00 0.73 0.00 0.00 38.32 39.71 3kax h ASN 23 CO -0.34 0.98 0.24 -0.70 -1.29 0.00 0.00 177.43 176.32 3kax s GLU 24 N -2.70 -0.16 0.33 6.67 2.56 -1.17 -5.06 118.70 119.16 3kax s GLU 24 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.97 54.98 3kax s GLU 24 Cb 0.09 -1.72 -0.03 0.00 2.00 0.00 0.00 34.13 34.48 3kax s GLU 24 CO 0.82 -3.02 0.51 -2.00 -0.56 0.00 0.00 175.26 171.01 3kax s GLU 25 N -5.44 3.41 -0.07 4.30 2.56 -1.26 -5.06 118.70 117.13 3kax s GLU 25 Ca 0.70 -0.50 -0.30 0.00 0.00 0.00 0.00 54.97 54.86 3kax s GLU 25 Cb -0.10 -2.72 -0.03 0.00 2.00 0.00 0.00 34.13 33.28 3kax s GLU 25 CO 0.55 0.17 1.21 -1.17 -0.56 0.00 0.00 175.26 175.46 3kax s LEU 26 N -4.25 4.26 0.20 2.70 2.96 -1.26 -4.87 118.68 118.43 3kax s LEU 26 Ca 0.40 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 56.14 3kax s LEU 26 Cb -0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3kax s LEU 26 CO 0.34 -0.61 0.26 -0.63 -1.32 0.00 0.00 176.35 174.39 3kax s ILE 27 N 2.40 4.94 -0.33 6.68 1.01 -0.80 -5.00 121.20 130.10 3kax s ILE 27 Ca 0.55 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3kax s ILE 27 Cb -0.24 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.71 3kax s ILE 27 CO 0.21 -0.22 0.03 -1.00 0.00 0.00 0.00 174.94 173.95 3kax s HIS 28 N -1.90 3.66 -1.57 3.97 3.76 -1.26 -0.75 115.29 121.19 3kax s HIS 28 Ca 0.33 -2.83 0.26 0.00 -0.15 0.00 0.00 55.06 52.67 3kax s HIS 28 Cb -0.10 -2.74 1.36 0.00 1.11 0.00 0.00 32.58 32.21 3kax s HIS 28 CO 0.27 -0.94 1.88 0.00 -0.85 0.00 0.00 174.74 175.10 3kax n ALA 29 N 4.31 2.33 -2.62 -1.40 0.00 0.49 -4.73 120.51 118.89 3kax n ALA 29 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 3kax n ALA 29 Cb 0.42 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.43 1.10 0.12 0.00 -0.11 -1.26 -0.96 118.94 115.40 3kax s TRP 30 Ca 0.28 -0.24 -0.09 0.00 1.22 0.00 0.00 56.10 57.27 3kax s TRP 30 Cb 0.17 -0.70 -0.00 0.00 -1.50 0.00 0.00 33.47 31.45 3kax s TRP 30 CO 0.37 -0.01 0.24 0.42 -4.62 0.00 0.00 176.95 173.35 3kax s ILE 31 N -0.41 0.11 -0.96 5.86 -1.09 -1.26 -4.95 121.20 118.49 3kax s ILE 31 Ca 0.04 -1.22 0.27 0.00 -2.23 0.00 0.00 60.65 57.51 3kax s ILE 31 Cb -0.05 -1.53 0.16 0.00 -1.58 0.00 0.00 42.46 39.46 3kax s ILE 31 CO -0.00 -0.49 1.73 0.00 -1.23 0.00 0.00 174.94 174.95 3kax n ALA 32 N -0.13 2.74 -2.56 9.38 0.00 -1.26 -4.83 120.51 123.83 3kax n ALA 32 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kax n ALA 32 Cb 0.63 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3kax n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kax n ASP 33 N -1.58 0.00 -2.75 0.00 8.00 -1.26 -5.14 116.55 113.82 3kax n ASP 33 Ca 0.06 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 3kax n ASP 33 Cb 0.35 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.05 -4.13 -2.24 2.03 0.32 -4.96 116.55 108.63 3kax n ASP 35 Ca 0.00 -2.76 -0.17 0.00 0.52 0.00 0.00 54.79 52.38 3kax n ASP 35 Cb 0.00 -0.40 -0.12 0.00 -0.72 0.00 0.00 41.12 39.87 3kax n ASP 35 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3kax s PHE 36 N -2.73 1.04 0.46 -0.67 0.08 -1.26 -4.48 117.98 110.42 3kax s PHE 36 Ca 0.29 -0.42 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 3kax s PHE 36 Cb 0.43 -0.60 -0.07 0.00 -0.57 0.00 0.00 43.02 42.21 3kax s PHE 36 CO 0.01 0.01 1.24 -1.21 -0.10 0.00 0.00 175.22 175.17 3kax s GLU 37 N -1.47 3.68 0.27 0.44 2.02 -1.26 -4.95 118.70 117.44 3kax s GLU 37 Ca -0.03 1.96 -0.29 0.00 0.02 0.00 0.00 54.97 56.63 3kax s GLU 37 Cb -0.09 -2.46 -0.14 0.00 0.10 0.00 0.00 34.13 31.54 3kax s GLU 37 CO 0.01 -0.66 1.09 0.28 0.02 0.00 0.00 175.26 176.00 3kax n VAL 38 N -0.44 1.77 -1.67 2.63 0.31 -1.26 -4.88 118.33 114.79 3kax n VAL 38 Ca 0.07 -0.44 -0.44 0.00 -0.01 0.00 0.00 64.34 63.51 3kax n VAL 38 Cb 0.46 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.95 1.96 -0.31 5.55 -0.02 -1.26 -4.84 135.00 137.03 3kax n PRO 39 Ca 0.10 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3kax n PRO 39 Cb 0.31 -2.30 0.26 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.61 0.57 -0.27 -0.52 5.75 -1.98 -1.35 115.11 120.92 3kax h GLN 40 Ca -0.45 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 3kax h GLN 40 Cb 1.29 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3kax h GLN 40 CO 0.71 0.38 0.19 -1.35 -2.65 0.00 0.00 178.83 176.11 3kax h PRO 41 N 0.59 0.21 -0.14 -2.39 0.11 -1.89 0.58 132.00 129.07 3kax h PRO 41 Ca 0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 3kax h PRO 41 Cb 0.79 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kax h PRO 41 CO -0.40 0.14 -0.12 0.82 -0.21 0.00 0.00 178.00 178.23 3kax h ILE 42 N 0.22 1.34 -0.54 4.15 2.04 -1.60 -0.92 117.51 122.20 3kax h ILE 42 Ca 0.12 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.81 3kax h ILE 42 Cb 0.20 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3kax h ILE 42 CO -0.02 0.36 0.17 1.56 0.00 0.00 0.00 178.15 180.22 3kax h GLN 43 N -0.03 0.32 -0.72 2.37 4.20 -1.22 -0.89 115.11 119.14 3kax h GLN 43 Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kax h GLN 43 Cb 0.63 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 3kax h GLN 43 CO 0.03 0.21 0.41 1.15 -0.67 0.00 0.00 178.83 179.97 3kax h THR 44 N 0.33 1.21 -0.16 -0.54 2.02 -0.81 -1.00 112.91 113.96 3kax h THR 44 Ca 0.27 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 3kax h THR 44 Cb 0.32 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3kax h THR 44 CO -0.29 0.23 -0.30 0.00 0.37 0.00 0.00 175.52 175.53 3kax h ALA 45 N 1.21 1.19 -0.13 6.16 0.00 -0.50 0.10 119.26 127.29 3kax h ALA 45 Ca 0.26 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3kax h ALA 45 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kax h ALA 45 CO -0.04 0.53 -0.56 -0.07 0.00 0.00 0.00 179.25 179.11 3kax h LEU 46 N 0.28 0.71 -0.18 0.00 3.38 -0.84 -1.82 115.31 116.84 3kax h LEU 46 Ca 0.04 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.42 3kax h LEU 46 Cb 0.68 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3kax h LEU 46 CO 0.05 1.22 -0.09 0.11 0.09 0.00 0.00 178.44 179.82 3kax h LYS 47 N 0.24 -0.07 -0.88 1.13 1.57 -0.85 -1.74 116.57 115.98 3kax h LYS 47 Ca -0.03 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3kax h LYS 47 Cb 1.20 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 3kax h LYS 47 CO 0.12 -0.05 0.52 -0.22 -0.57 0.00 0.00 179.45 179.25 3kax h LYS 48 N -0.07 0.85 -0.41 3.15 3.64 -0.77 -1.54 116.57 121.42 3kax h LYS 48 Ca 0.10 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3kax h LYS 48 Cb 0.22 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kax h LYS 48 CO -0.22 0.56 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.29 3kax h ARG 49 N 0.88 0.75 0.00 1.90 9.65 -0.86 -2.41 114.38 124.29 3kax h ARG 49 Ca 0.42 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3kax h ARG 49 Cb 0.35 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3kax h ARG 49 CO -0.24 0.86 -0.12 0.82 2.80 0.00 0.00 179.97 184.09 3kax h ILE 50 N 0.67 0.34 -0.95 1.20 2.04 -0.41 -2.60 117.51 117.80 3kax h ILE 50 Ca 0.11 -0.75 0.16 0.00 1.00 0.00 0.00 64.86 65.37 3kax h ILE 50 Cb 0.62 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 3kax h ILE 50 CO 0.04 0.12 0.60 -0.33 0.00 0.00 0.00 178.15 178.58 3kax h GLU 51 N 0.00 0.73 -5.40 2.37 5.08 -0.88 -3.32 114.58 113.16 3kax h GLU 51 Ca -0.00 -0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.68 3kax h GLU 51 Cb 0.56 -0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.50 3kax h GLU 51 CO 0.02 0.48 0.58 -1.58 -1.00 0.00 0.00 179.01 177.51 3kax s HIS 52 N -5.76 2.72 -0.89 4.33 2.46 -0.98 -4.95 115.29 112.22 3kax s HIS 52 Ca -0.10 -0.65 -0.08 0.00 0.47 0.00 0.00 55.06 54.70 3kax s HIS 52 Cb 0.23 -4.30 -0.17 0.00 -0.13 0.00 0.00 32.58 28.21 3kax s HIS 52 CO 0.80 -1.64 3.27 -0.35 -2.47 0.00 0.00 174.74 174.35 3kax n PRO 53 N 7.60 2.94 -3.76 2.88 -0.04 -1.25 -4.73 135.00 138.64 3kax n PRO 53 Ca -0.00 -1.66 -0.19 0.00 -0.04 0.00 0.00 63.50 61.61 3kax n PRO 53 Cb 0.46 -2.44 -0.17 0.00 -0.04 0.00 0.00 33.50 31.31 3kax n PRO 53 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kax s ILE 54 N 1.63 0.05 -0.31 0.52 1.01 -1.26 -5.06 121.20 117.78 3kax s ILE 54 Ca 0.69 0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.70 3kax s ILE 54 Cb 0.24 -0.24 0.46 0.00 0.01 0.00 0.00 42.46 42.93 3kax s ILE 54 CO -0.03 0.18 1.15 0.49 0.00 0.00 0.00 174.94 176.73 3kax n PHE 55 N 4.87 2.60 -1.86 3.97 3.72 -1.26 -5.06 117.46 124.42 3kax n PHE 55 Ca -0.12 -2.40 -0.25 0.00 -0.05 0.00 0.00 57.45 54.62 3kax n PHE 55 Cb 0.50 -0.28 0.18 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.63 -1.31 3.74 1.37 0.00 -1.26 -4.99 105.19 102.11 3kax n GLY 56 Ca 0.36 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3kax n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kax s TYR 57 N -3.50 2.87 0.03 1.61 5.04 -1.26 -4.93 117.35 117.21 3kax s TYR 57 Ca 0.66 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 3kax s TYR 57 Cb -0.02 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.24 3kax s TYR 57 CO 0.46 -3.62 -0.04 -0.08 -1.34 0.00 0.00 175.55 170.93 3kax s THR 58 N 0.45 0.21 0.88 4.34 -1.32 -1.26 -5.16 115.64 113.78 3kax s THR 58 Ca 0.66 -1.08 -0.12 0.00 -1.21 0.00 0.00 61.69 59.95 3kax s THR 58 Cb -0.47 -0.51 0.12 0.00 -1.51 0.00 0.00 72.50 70.13 3kax s THR 58 CO 0.41 -0.55 1.12 -0.76 -2.21 0.00 0.00 174.62 172.63 3kax s LEU 59 N -1.70 2.16 0.33 9.08 1.43 -1.26 -4.94 118.68 123.77 3kax s LEU 59 Ca -0.11 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 3kax s LEU 59 Cb -0.07 -3.48 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 3kax s LEU 59 CO -0.02 -2.42 1.49 -2.84 0.23 0.00 0.00 176.35 172.79 3kax s PRO 60 N -5.22 4.17 0.57 1.29 0.02 -1.26 -4.91 135.00 129.65 3kax s PRO 60 Ca 0.63 2.48 -0.19 0.00 0.02 0.00 0.00 61.00 63.94 3kax s PRO 60 Cb -0.15 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 3kax s PRO 60 CO 0.54 -0.50 0.89 -0.35 -0.33 0.00 0.00 177.00 177.26 3kax n PRO 61 N 1.28 0.90 -0.20 5.54 -0.04 -1.26 -4.83 135.00 136.39 3kax n PRO 61 Ca 0.04 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 64.00 3kax n PRO 61 Cb 0.39 -2.07 0.49 0.00 -0.04 0.00 0.00 33.50 32.28 3kax n PRO 61 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kax h GLU 62 N 0.61 0.43 -0.00 0.54 3.07 -2.05 -1.53 114.58 115.65 3kax h GLU 62 Ca -0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3kax h GLU 62 Cb 1.37 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3kax h GLU 62 CO 0.51 0.28 -0.24 0.27 -1.40 0.00 0.00 179.01 178.43 3kax n ASN 63 N -4.49 0.63 -0.11 1.42 0.23 -1.26 -4.41 115.26 107.27 3kax n ASN 63 Ca 0.16 -0.52 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 3kax n ASN 63 Cb 0.57 0.04 0.28 0.00 -2.08 0.00 0.00 39.78 38.59 3kax n ASN 63 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3kax h ILE 64 N 0.62 1.18 -0.02 1.53 6.09 -1.61 -1.54 117.51 123.76 3kax h ILE 64 Ca 0.00 -0.49 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3kax h ILE 64 Cb 0.45 0.47 -0.00 0.00 0.47 0.00 0.00 36.82 38.21 3kax h ILE 64 CO 0.00 0.21 0.01 1.23 -3.07 0.00 0.00 178.15 176.53 3kax h GLY 65 N 0.86 0.02 1.03 8.18 0.00 -1.80 -1.55 103.07 109.82 3kax h GLY 65 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 3kax h GLY 65 CO -0.03 0.01 0.43 -0.55 0.00 0.00 0.00 176.54 176.40 3kax h ASP 66 N -0.01 1.06 -0.60 0.19 3.32 -1.72 0.06 116.42 118.71 3kax h ASP 66 Ca 0.01 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3kax h ASP 66 Cb 0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3kax h ASP 66 CO -0.00 0.87 0.38 0.40 -1.72 0.00 0.00 179.24 179.17 3kax h ILE 67 N 1.16 1.17 -0.20 0.35 2.04 -1.12 0.70 117.51 121.60 3kax h ILE 67 Ca 0.29 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3kax h ILE 67 Cb 0.08 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3kax h ILE 67 CO -0.04 0.17 -0.08 0.40 0.00 0.00 0.00 178.15 178.59 3kax h ILE 68 N 0.81 1.30 -0.61 -0.67 2.04 -0.94 -1.71 117.51 117.74 3kax h ILE 68 Ca 0.22 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 65.03 3kax h ILE 68 Cb -0.05 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 3kax h ILE 68 CO -0.04 0.34 0.28 0.00 0.00 0.00 0.00 178.15 178.73 3kax h ASN 70 N 0.51 1.09 0.09 0.00 2.35 -0.80 -2.30 115.58 116.52 3kax h ASN 70 Ca 0.29 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3kax h ASN 70 Cb 0.29 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3kax h ASN 70 CO -0.24 0.95 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.20 3kax h TRP 71 N 1.16 -0.12 -0.48 1.19 2.91 -0.71 0.61 115.95 120.52 3kax h TRP 71 Ca 0.27 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.23 3kax h TRP 71 Cb 0.19 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 3kax h TRP 71 CO 0.02 -0.06 0.08 1.79 -1.03 0.00 0.00 178.44 179.24 3kax h THR 72 N -0.14 1.22 -0.22 2.65 1.35 -1.18 0.91 112.91 117.50 3kax h THR 72 Ca -0.01 -0.83 -0.03 0.00 -0.55 0.00 0.00 66.41 64.99 3kax h THR 72 Cb 0.11 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3kax h THR 72 CO 0.02 0.30 0.04 0.50 -0.25 0.00 0.00 175.52 176.13 3kax h LYS 73 N 0.72 0.37 -0.23 4.72 1.63 -1.16 -1.57 116.57 121.05 3kax h LYS 73 Ca 0.15 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3kax h LYS 73 Cb 0.32 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3kax h LYS 73 CO 0.00 0.50 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.28 3kax h LYS 74 N 0.17 0.41 0.09 1.90 3.64 -0.57 -1.18 116.57 121.02 3kax h LYS 74 Ca 0.07 -0.13 -0.29 0.00 -1.27 0.00 0.00 60.65 59.02 3kax h LYS 74 Cb 0.31 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3kax h LYS 74 CO 0.00 0.60 -1.19 1.96 -2.27 0.00 0.00 179.45 178.55 3kax h GLN 75 N 0.17 0.65 0.00 1.90 1.08 -0.86 -3.39 115.11 114.66 3kax h GLN 75 Ca 0.06 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.44 3kax h GLN 75 Cb 0.42 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3kax h GLN 75 CO 0.01 1.37 0.00 0.66 -0.95 0.00 0.00 178.83 179.92 3kax n TYR 76 N -3.82 0.00 -4.14 2.96 4.01 -0.65 -4.99 117.16 110.53 3kax n TYR 76 Ca -0.13 -0.24 -0.30 0.00 -0.16 0.00 0.00 57.90 57.07 3kax n TYR 76 Cb 0.96 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.92 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 -0.24 -0.63 -4.21 7.72 5.15 -0.45 -4.93 115.26 117.67 3kax n ASN 77 Ca 0.00 -1.10 -0.35 0.00 -0.60 0.00 0.00 54.58 52.54 3kax n ASN 77 Cb 0.26 -2.51 -0.14 0.00 -0.53 0.00 0.00 39.78 36.86 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 -3.91 3.10 -0.34 1.20 -0.00 -0.83 -4.94 118.94 113.22 3kax s TRP 78 Ca 0.19 -1.52 -0.22 0.00 -0.00 0.00 0.00 56.10 54.55 3kax s TRP 78 Cb -0.11 -2.08 0.00 0.00 -0.00 0.00 0.00 33.47 31.28 3kax s TRP 78 CO 0.94 -0.72 0.71 -0.51 -0.00 0.00 0.00 176.95 177.36 3kax s ASP 79 N 1.34 6.53 0.43 5.86 1.01 -1.26 -2.60 116.67 127.97 3kax s ASP 79 Ca -0.00 0.37 0.07 0.00 0.71 0.00 0.00 52.55 53.70 3kax s ASP 79 Cb -0.17 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3kax s ASP 79 CO -0.03 -0.61 0.21 0.27 0.21 0.00 0.00 175.17 175.21 3kax s ILE 80 N 2.85 2.18 -0.03 0.77 -4.36 -1.26 -5.08 121.20 116.27 3kax s ILE 80 Ca 0.28 -1.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.03 3kax s ILE 80 Cb -0.14 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 3kax s ILE 80 CO 0.14 0.00 -0.09 -1.10 0.24 0.00 0.00 174.94 174.13 3kax s GLN 81 N -3.96 2.56 0.37 0.37 -1.52 -1.26 -4.97 119.66 111.26 3kax s GLN 81 Ca 0.38 -0.69 0.11 0.00 -1.95 0.00 0.00 55.36 53.21 3kax s GLN 81 Cb 0.03 -2.48 0.88 0.00 -0.22 0.00 0.00 33.01 31.22 3kax s GLN 81 CO 0.21 0.62 1.88 0.87 -0.25 0.00 0.00 175.29 178.63 3kax h LYS 82 N 4.91 0.60 0.00 2.91 1.57 -1.99 -0.92 116.57 123.65 3kax h LYS 82 Ca -0.48 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3kax h LYS 82 Cb 1.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3kax h LYS 82 CO 0.52 0.40 0.00 -0.85 -0.57 0.00 0.00 179.45 178.95 3kax n GLU 83 N -4.54 0.13 0.07 3.15 0.00 -1.26 -1.76 120.64 116.43 3kax n GLU 83 Ca 0.17 0.38 0.13 0.00 0.00 0.00 0.00 57.16 57.84 3kax n GLU 83 Cb 0.48 -1.75 0.47 0.00 0.00 0.00 0.00 31.44 30.64 3kax n GLU 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3kax n TRP 84 N -1.99 0.58 -2.98 -1.84 8.01 -0.35 -4.84 117.44 114.03 3kax n TRP 84 Ca 0.02 0.18 -0.41 0.00 -1.31 0.00 0.00 57.50 55.99 3kax n TRP 84 Cb 0.19 -0.80 -0.05 0.00 -2.01 0.00 0.00 31.31 28.65 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 -3.10 4.93 0.07 -0.99 1.01 -0.72 -0.95 121.20 121.45 3kax s ILE 85 Ca 0.10 1.45 0.09 0.00 0.00 0.00 0.00 60.65 62.29 3kax s ILE 85 Cb 0.13 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3kax s ILE 85 CO 0.52 0.05 -0.24 -0.69 0.00 0.00 0.00 174.94 174.57 3kax s VAL 86 N 2.13 1.99 0.17 2.92 1.01 0.10 -4.99 120.40 123.73 3kax s VAL 86 Ca 0.34 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.92 3kax s VAL 86 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3kax s VAL 86 CO 0.11 0.22 0.23 -0.36 0.00 0.00 0.00 175.10 175.29 3kax s PHE 87 N -0.90 3.33 -0.08 5.22 0.08 -1.26 0.07 117.98 124.43 3kax s PHE 87 Ca 0.11 0.04 -0.09 0.00 0.12 0.00 0.00 56.93 57.10 3kax s PHE 87 Cb -0.10 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 3kax s PHE 87 CO 0.03 0.51 0.25 0.45 -0.10 0.00 0.00 175.22 176.36 3kax s SER 88 N -3.28 -0.24 -1.29 1.36 0.15 -0.92 -4.87 113.70 104.61 3kax s SER 88 Ca 0.33 0.42 -0.07 0.00 0.70 0.00 0.00 55.95 57.32 3kax s SER 88 Cb -0.10 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 64.84 3kax s SER 88 CO 0.26 -0.14 2.07 0.00 1.20 0.00 0.00 173.24 176.63 3kax n ALA 89 N 2.68 5.96 0.00 5.45 0.00 -1.26 -1.60 120.51 131.74 3kax n ALA 89 Ca -0.14 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.05 3kax n ALA 89 Cb 0.58 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3kax n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kax n GLY 90 N 2.28 3.43 0.07 0.00 0.00 -1.26 -4.83 105.19 104.88 3kax n GLY 90 Ca 0.48 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 3kax n GLY 90 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kax h ILE 91 N 0.20 1.42 -0.47 -0.61 1.08 -1.93 -3.13 117.51 114.06 3kax h ILE 91 Ca 0.00 -3.15 -0.02 0.00 -0.39 0.00 0.00 64.86 61.31 3kax h ILE 91 Cb 0.00 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 3kax h ILE 91 CO 0.00 0.81 0.23 0.58 -0.69 0.00 0.00 178.15 179.08 3kax h VAL 92 N 0.00 1.18 -0.75 1.67 2.07 -2.00 -1.30 116.25 117.13 3kax h VAL 92 Ca -0.09 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3kax h VAL 92 Cb 1.82 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3kax h VAL 92 CO 0.11 0.20 0.49 -0.65 0.02 0.00 0.00 177.57 177.75 3kax h PRO 93 N 0.62 0.92 -0.70 1.57 0.11 -1.88 -1.84 132.00 130.79 3kax h PRO 93 Ca 0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3kax h PRO 93 Cb 0.11 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 3kax h PRO 93 CO -0.02 0.61 0.33 0.00 -0.21 0.00 0.00 178.00 178.71 3kax h ALA 94 N 1.55 1.27 -0.35 -0.75 0.00 -1.36 0.12 119.26 119.74 3kax h ALA 94 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kax h ALA 94 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kax h ALA 94 CO -0.08 0.56 0.13 -0.07 0.00 0.00 0.00 179.25 179.80 3kax h LEU 95 N 0.99 0.49 -0.44 0.00 3.38 -0.58 -0.96 115.31 118.19 3kax h LEU 95 Ca 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kax h LEU 95 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kax h LEU 95 CO -0.03 0.53 0.22 -1.28 0.09 0.00 0.00 178.44 177.98 3kax h SER 96 N 0.41 0.56 -0.77 -0.43 0.87 -0.95 -0.15 113.55 113.09 3kax h SER 96 Ca 0.11 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3kax h SER 96 Cb 0.21 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 3kax h SER 96 CO -0.01 0.52 0.49 0.74 -0.53 0.00 0.00 176.83 178.04 3kax h THR 97 N 0.57 1.11 -0.35 2.23 2.02 -0.67 -0.91 112.91 116.92 3kax h THR 97 Ca 0.15 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3kax h THR 97 Cb 0.09 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3kax h THR 97 CO -0.02 0.17 0.11 0.28 0.37 0.00 0.00 175.52 176.44 3kax h SER 98 N 0.96 0.50 -0.42 4.18 0.02 -0.83 0.15 113.55 118.11 3kax h SER 98 Ca 0.31 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3kax h SER 98 Cb 0.02 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3kax h SER 98 CO -0.11 0.57 0.11 0.40 -1.14 0.00 0.00 176.83 176.66 3kax h ILE 99 N 0.41 0.82 -0.32 3.27 2.04 -0.53 -0.48 117.51 122.72 3kax h ILE 99 Ca 0.11 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3kax h ILE 99 Cb 0.24 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3kax h ILE 99 CO -0.00 0.05 -0.15 1.56 0.00 0.00 0.00 178.15 179.60 3kax h GLN 100 N 0.26 0.58 0.02 2.37 1.08 -0.94 -2.55 115.11 115.92 3kax h GLN 100 Ca 0.20 -0.19 -0.25 0.00 -1.45 0.00 0.00 58.65 56.97 3kax h GLN 100 Cb 0.22 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3kax h GLN 100 CO -0.24 0.71 -1.03 0.00 -0.95 0.00 0.00 178.83 177.33 3kax h ALA 101 N 1.31 0.24 -0.04 3.87 0.00 -0.41 -3.38 119.26 120.86 3kax h ALA 101 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3kax h ALA 101 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kax h ALA 101 CO 0.04 0.78 0.00 1.19 0.00 0.00 0.00 179.25 181.26 3kax n PHE 102 N -3.76 0.04 -4.13 0.00 3.72 -0.24 -4.91 117.46 108.18 3kax n PHE 102 Ca -0.09 -0.06 -0.09 0.00 -0.05 0.00 0.00 57.45 57.16 3kax n PHE 102 Cb 0.88 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.31 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 -0.67 0.24 0.29 4.37 -4.23 -0.96 -4.88 115.64 109.81 3kax s THR 103 Ca 0.10 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3kax s THR 103 Cb 0.06 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 3kax s THR 103 CO 0.09 -0.76 0.23 -0.54 -0.54 0.00 0.00 174.62 173.11 3kax s LYS 104 N -3.96 2.80 0.35 3.99 1.02 -1.26 -4.68 119.74 118.00 3kax s LYS 104 Ca 0.15 -1.19 -0.27 0.00 0.02 0.00 0.00 55.97 54.68 3kax s LYS 104 Cb 0.07 -2.50 -0.12 0.00 -0.52 0.00 0.00 37.83 34.76 3kax s LYS 104 CO -0.04 0.25 1.05 0.39 -0.92 0.00 0.00 175.35 176.08 3kax n GLU 105 N -1.26 1.48 -0.50 1.68 1.02 -1.26 -1.65 120.64 120.15 3kax n GLU 105 Ca -0.05 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 3kax n GLU 105 Cb 0.59 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.90 0.00 -4.87 1.62 3.02 0.24 -4.99 115.26 111.18 3kax n ASN 106 Ca 0.09 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 3kax n ASN 106 Cb 0.35 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.14 3.51 0.02 3.52 2.02 -0.66 -4.29 118.70 122.69 3kax s GLU 107 Ca 0.00 0.73 -0.18 0.00 0.02 0.00 0.00 54.97 55.54 3kax s GLU 107 Cb 0.00 -2.07 -0.06 0.00 0.10 0.00 0.00 34.13 32.10 3kax s GLU 107 CO 0.00 -0.63 0.53 -1.12 0.02 0.00 0.00 175.26 174.06 3kax s SER 108 N -4.18 6.95 -0.07 -0.19 0.01 -1.26 -0.94 113.70 114.01 3kax s SER 108 Ca 0.55 1.13 0.04 0.00 1.31 0.00 0.00 55.95 58.98 3kax s SER 108 Cb -0.11 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3kax s SER 108 CO 0.54 0.22 -0.18 -0.69 0.41 0.00 0.00 173.24 173.54 3kax s VAL 109 N -0.74 1.55 -0.05 3.43 1.01 -0.27 -2.43 120.40 122.90 3kax s VAL 109 Ca 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3kax s VAL 109 Cb -0.18 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3kax s VAL 109 CO 0.17 0.45 -0.03 -0.22 0.00 0.00 0.00 175.10 175.46 3kax s LEU 110 N 0.37 3.39 0.16 3.92 0.20 -0.25 -0.72 118.68 125.74 3kax s LEU 110 Ca -0.13 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.73 3kax s LEU 110 Cb -0.15 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 3kax s LEU 110 CO 0.05 0.34 -0.00 0.68 -0.29 0.00 0.00 176.35 177.12 3kax s VAL 111 N -0.93 0.62 -0.44 1.68 -7.23 -0.57 -0.73 120.40 112.80 3kax s VAL 111 Ca 0.15 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3kax s VAL 111 Cb -0.11 -2.03 0.12 0.00 0.56 0.00 0.00 36.38 34.91 3kax s VAL 111 CO 0.05 -0.54 0.17 -1.10 -0.31 0.00 0.00 175.10 173.36 3kax s GLN 112 N -3.92 1.73 0.67 4.82 -0.21 -1.26 -1.44 119.66 120.05 3kax s GLN 112 Ca 0.22 -2.27 -0.13 0.00 0.02 0.00 0.00 55.36 53.20 3kax s GLN 112 Cb 0.06 -3.23 -0.00 0.00 1.00 0.00 0.00 33.01 30.84 3kax s GLN 112 CO 0.02 -1.04 1.07 -2.14 -2.12 0.00 0.00 175.29 171.08 3kax s PRO 113 N 0.26 2.97 0.22 2.91 0.02 -1.26 -4.36 135.00 135.76 3kax s PRO 113 Ca 0.14 1.10 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 3kax s PRO 113 Cb -0.23 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 3kax s PRO 113 CO -0.04 -1.08 1.05 -1.25 -0.33 0.00 0.00 177.00 175.35 3kax s PRO 114 N -4.62 4.68 0.06 5.54 0.04 -1.01 -0.67 135.00 139.03 3kax s PRO 114 Ca 0.61 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 3kax s PRO 114 Cb -0.15 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3kax s PRO 114 CO 0.48 0.24 0.04 -1.50 0.04 0.00 0.00 177.00 176.30 3kax s ILE 115 N -0.71 0.20 0.16 0.56 1.10 -0.17 -4.34 121.20 117.98 3kax s ILE 115 Ca 0.46 -1.61 -0.34 0.00 -0.51 0.00 0.00 60.65 58.65 3kax s ILE 115 Cb -0.29 -1.46 -0.14 0.00 0.15 0.00 0.00 42.46 40.72 3kax s ILE 115 CO 0.35 -0.89 1.51 0.00 -2.11 0.00 0.00 174.94 173.81 3kax n TYR 116 N 0.06 2.11 -0.29 3.50 9.36 -1.22 -4.44 117.16 126.25 3kax n TYR 116 Ca -0.14 0.36 -0.05 0.00 3.32 0.00 0.00 57.90 61.39 3kax n TYR 116 Cb 0.61 -2.49 0.07 0.00 -0.63 0.00 0.00 39.34 36.90 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 5.47 1.07 -0.84 2.98 0.11 -1.92 -2.81 132.00 136.06 3kax h PRO 117 Ca -0.45 -0.10 0.20 0.00 0.11 0.00 0.00 66.00 65.76 3kax h PRO 117 Cb 1.27 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3kax h PRO 117 CO 0.85 0.76 0.57 -1.35 -0.21 0.00 0.00 178.00 178.62 3kax h PRO 118 N 1.07 0.25 -0.89 1.05 0.11 -1.94 -1.80 132.00 129.86 3kax h PRO 118 Ca 0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 3kax h PRO 118 Cb -0.03 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 30.98 3kax h PRO 118 CO -0.05 0.16 0.52 0.74 -0.21 0.00 0.00 178.00 179.16 3kax h PHE 119 N 0.25 1.18 -0.26 0.65 0.04 -1.86 -1.39 116.94 115.55 3kax h PHE 119 Ca 0.42 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.20 3kax h PHE 119 Cb 1.25 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3kax h PHE 119 CO -0.00 0.80 0.10 0.74 -0.60 0.00 0.00 178.31 179.35 3kax h PHE 120 N 1.23 0.19 0.00 -0.55 0.04 -1.50 -3.09 116.94 113.26 3kax h PHE 120 Ca 0.32 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3kax h PHE 120 Cb -0.02 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3kax h PHE 120 CO 0.01 0.09 0.00 0.39 -0.60 0.00 0.00 178.31 178.20 3kax n GLU 121 N -5.02 0.02 0.00 1.51 -0.58 -0.52 -1.87 120.64 114.18 3kax n GLU 121 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3kax n GLU 121 Cb 0.08 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.89 0.00 -0.07 2.62 0.31 -1.17 -0.72 118.33 120.19 3kax n VAL 123 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 3kax n VAL 123 Cb 0.01 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.90 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 1.27 0.00 2.52 1.35 -1.57 -2.05 112.91 114.44 3kax h THR 124 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3kax h THR 124 Cb 0.00 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3kax h THR 124 CO 0.00 0.58 0.00 0.71 -0.25 0.00 0.00 175.52 176.56 3kax h THR 125 N 0.65 0.00 -0.57 6.82 1.35 -1.18 -0.97 112.91 119.01 3kax h THR 125 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3kax h THR 125 Cb 1.20 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3kax h THR 125 CO 0.13 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.99 3kax n ASN 126 N -2.45 3.84 -3.78 5.36 4.13 -1.05 -4.95 115.26 116.36 3kax n ASN 126 Ca 0.02 -2.26 -0.27 0.00 1.68 0.00 0.00 54.58 53.74 3kax n ASN 126 Cb 0.24 -0.49 0.05 0.00 -1.54 0.00 0.00 39.78 38.03 3kax n ASN 126 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3kax n ASN 127 N 1.04 -5.14 -4.84 6.41 3.02 -0.37 -4.79 115.26 110.59 3kax n ASN 127 Ca 0.21 -0.69 -0.22 0.00 -0.03 0.00 0.00 54.58 53.85 3kax n ASN 127 Cb 0.69 -4.34 -0.04 0.00 -0.61 0.00 0.00 39.78 35.49 3kax n ASN 127 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3kax s ARG 128 N -6.45 3.00 -0.19 3.52 3.00 -0.80 -0.59 118.95 120.44 3kax s ARG 128 Ca 0.59 -0.99 -0.26 0.00 0.00 0.00 0.00 55.73 55.08 3kax s ARG 128 Cb -0.28 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.03 3kax s ARG 128 CO 0.79 0.42 0.86 -1.14 0.00 0.00 0.00 175.30 176.23 3kax s GLN 129 N -3.77 4.28 -0.13 3.54 0.74 -0.12 -4.34 119.66 119.86 3kax s GLN 129 Ca 0.33 1.06 -0.29 0.00 0.05 0.00 0.00 55.36 56.50 3kax s GLN 129 Cb -0.08 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.42 3kax s GLN 129 CO 0.25 -0.40 1.04 -1.17 -0.55 0.00 0.00 175.29 174.46 3kax s LEU 130 N 2.40 4.21 0.02 3.68 2.96 -1.26 -1.11 118.68 129.58 3kax s LEU 130 Ca 0.39 1.52 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 3kax s LEU 130 Cb -0.16 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 3kax s LEU 130 CO 0.11 -0.52 -0.17 0.00 -1.32 0.00 0.00 176.35 174.46 3kax s VAL 132 N -0.88 1.53 -0.44 0.00 -7.23 -1.26 -1.51 120.40 110.61 3kax s VAL 132 Ca 0.14 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 3kax s VAL 132 Cb -0.11 -1.34 0.14 0.00 0.56 0.00 0.00 36.38 35.63 3kax s VAL 132 CO 0.04 0.15 0.25 -0.55 -0.31 0.00 0.00 175.10 174.68 3kax s SER 133 N -1.17 3.58 0.54 4.85 0.15 -0.52 -4.95 113.70 116.17 3kax s SER 133 Ca 0.06 -2.64 -0.22 0.00 0.70 0.00 0.00 55.95 53.85 3kax s SER 133 Cb -0.09 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.18 3kax s SER 133 CO 0.02 -0.26 1.36 -2.84 1.20 0.00 0.00 173.24 172.71 3kax s PRO 134 N 0.34 3.20 0.65 5.44 0.02 -1.26 -4.21 135.00 139.18 3kax s PRO 134 Ca 0.18 2.23 -0.16 0.00 0.02 0.00 0.00 61.00 63.28 3kax s PRO 134 Cb -0.23 -2.29 -0.00 0.00 0.02 0.00 0.00 34.50 32.00 3kax s PRO 134 CO -0.01 -1.14 1.14 -0.51 -0.33 0.00 0.00 177.00 176.14 3kax s LEU 135 N -3.45 3.44 0.14 -5.54 1.43 0.16 -4.47 118.68 110.38 3kax s LEU 135 Ca 0.71 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 56.00 3kax s LEU 135 Cb -0.40 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.21 3kax s LEU 135 CO 0.48 -1.69 -0.08 0.00 0.23 0.00 0.00 176.35 175.29 3kax s GLN 136 N -3.90 2.15 -0.15 1.70 -2.07 0.01 -4.88 119.66 112.53 3kax s GLN 136 Ca 0.70 -1.11 -0.18 0.00 -1.82 0.00 0.00 55.36 52.96 3kax s GLN 136 Cb -0.23 -2.27 -0.04 0.00 -1.09 0.00 0.00 33.01 29.38 3kax s GLN 136 CO 0.39 0.48 0.46 0.15 -1.32 0.00 0.00 175.29 175.45 3kax s LYS 137 N -2.50 4.29 -0.12 9.60 1.02 -1.26 -0.25 119.74 130.51 3kax s LYS 137 Ca 0.23 0.39 -0.22 0.00 0.02 0.00 0.00 55.97 56.39 3kax s LYS 137 Cb -0.10 -3.47 0.05 0.00 -0.52 0.00 0.00 37.83 33.79 3kax s LYS 137 CO 0.15 0.09 0.55 1.14 -0.92 0.00 0.00 175.35 176.36 3kax s GLN 138 N 0.87 0.79 -1.45 1.68 -2.07 -0.27 -4.93 119.66 114.29 3kax s GLN 138 Ca 0.24 0.42 -0.09 0.00 -1.82 0.00 0.00 55.36 54.11 3kax s GLN 138 Cb -0.15 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.19 3kax s GLN 138 CO 0.09 -0.18 0.70 0.09 -1.32 0.00 0.00 175.29 174.68 3kax n ASN 139 N 1.86 -5.10 -2.51 12.60 3.02 -1.26 -1.76 115.26 122.12 3kax n ASN 139 Ca -0.17 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 53.75 3kax n ASN 139 Cb 0.56 -4.12 -0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3kax n ASN 139 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kax n ASP 140 N -2.56 -5.11 -4.14 6.41 2.03 -1.26 -4.99 116.55 106.93 3kax n ASP 140 Ca -0.04 0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.19 3kax n ASP 140 Cb 0.57 -4.27 -0.09 0.00 -0.72 0.00 0.00 41.12 36.61 3kax n ASP 140 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3kax s THR 141 N -2.89 0.05 0.21 5.18 -1.32 -0.72 -4.85 115.64 111.30 3kax s THR 141 Ca 0.04 -1.86 -0.21 0.00 -1.21 0.00 0.00 61.69 58.46 3kax s THR 141 Cb -0.02 -2.21 -0.08 0.00 -1.51 0.00 0.00 72.50 68.68 3kax s THR 141 CO 0.05 -0.24 0.73 -0.31 -2.21 0.00 0.00 174.62 172.65 3kax s TYR 142 N -4.08 3.70 0.05 9.09 2.02 -1.26 -1.11 117.35 125.75 3kax s TYR 142 Ca 0.29 1.43 -0.01 0.00 -0.37 0.00 0.00 57.07 58.42 3kax s TYR 142 Cb 0.06 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 3kax s TYR 142 CO 0.06 0.38 -0.03 0.00 -1.57 0.00 0.00 175.55 174.38 3kax s ALA 143 N -1.44 0.46 0.22 3.71 0.00 0.65 -4.92 121.76 120.44 3kax s ALA 143 Ca 0.41 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3kax s ALA 143 Cb -0.18 0.24 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 3kax s ALA 143 CO 0.22 -0.32 1.20 0.42 0.00 0.00 0.00 175.76 177.28 3kax s ILE 144 N -3.39 3.42 -0.78 0.00 1.01 -1.26 -0.81 121.20 119.38 3kax s ILE 144 Ca 0.03 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.75 3kax s ILE 144 Cb 0.04 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.84 3kax s ILE 144 CO -0.08 0.24 0.92 -0.62 0.00 0.00 0.00 174.94 175.40 3kax s ASP 145 N -0.16 6.47 0.36 3.58 -1.08 -1.26 -4.86 116.67 119.72 3kax s ASP 145 Ca 0.51 -1.87 0.12 0.00 -0.52 0.00 0.00 52.55 50.78 3kax s ASP 145 Cb -0.34 -2.34 0.67 0.00 -1.46 0.00 0.00 42.92 39.45 3kax s ASP 145 CO 0.40 -1.03 1.80 -0.26 0.52 0.00 0.00 175.17 176.60 3kax h PHE 146 N 8.83 0.05 -0.24 -5.34 0.04 -1.97 -0.06 116.94 118.25 3kax h PHE 146 Ca -0.03 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3kax h PHE 146 Cb 1.05 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3kax h PHE 146 CO 1.03 0.42 -0.01 0.93 -0.60 0.00 0.00 178.31 180.07 3kax h GLU 147 N 0.04 0.43 -0.57 1.51 5.08 -1.99 0.29 114.58 119.36 3kax h GLU 147 Ca 0.00 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3kax h GLU 147 Cb 0.69 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3kax h GLU 147 CO 0.05 0.62 0.24 1.25 -1.00 0.00 0.00 179.01 180.17 3kax h HIS 148 N 0.19 0.87 -0.38 4.33 2.76 -1.92 -1.89 115.15 119.11 3kax h HIS 148 Ca 0.07 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 3kax h HIS 148 Cb 0.44 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3kax h HIS 148 CO 0.04 0.69 0.06 1.25 -1.30 0.00 0.00 177.93 178.68 3kax h LEU 149 N 0.79 0.59 -1.00 0.26 5.85 -0.88 -1.29 115.31 119.63 3kax h LEU 149 Ca 0.19 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kax h LEU 149 Cb 0.19 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3kax h LEU 149 CO -0.02 0.70 0.66 -0.08 -0.34 0.00 0.00 178.44 179.37 3kax h GLU 150 N 0.46 1.31 -0.88 1.25 4.81 -0.80 -0.70 114.58 120.03 3kax h GLU 150 Ca 0.11 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3kax h GLU 150 Cb 0.36 -0.30 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3kax h GLU 150 CO 0.01 0.87 0.58 0.87 -0.73 0.00 0.00 179.01 180.61 3kax h LYS 151 N 1.35 1.11 -0.18 1.92 1.57 -0.77 -0.13 116.57 121.45 3kax h LYS 151 Ca 0.37 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 3kax h LYS 151 Cb -0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 31.91 3kax h LYS 151 CO -0.08 0.74 -0.09 1.96 -0.57 0.00 0.00 179.45 181.41 3kax h GLN 152 N 1.15 0.37 -0.65 3.15 1.08 -0.56 -2.91 115.11 116.74 3kax h GLN 152 Ca 0.34 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 3kax h GLN 152 Cb -0.05 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 3kax h GLN 152 CO -0.09 0.68 0.43 0.74 -0.95 0.00 0.00 178.83 179.64 3kax h PHE 153 N 0.05 0.70 0.00 2.96 -1.00 -0.71 -0.60 116.94 118.34 3kax h PHE 153 Ca 0.04 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3kax h PHE 153 Cb 0.57 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3kax h PHE 153 CO 0.06 0.39 0.00 1.96 -1.61 0.00 0.00 178.31 179.12 3kax h GLN 154 N 0.71 0.00 -0.01 1.51 4.20 -0.82 -1.71 115.11 118.99 3kax h GLN 154 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3kax h GLN 154 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3kax h GLN 154 CO -0.08 0.00 -0.28 1.04 -0.67 0.00 0.00 178.83 178.84 3kax n GLN 155 N -2.75 0.77 0.00 1.46 1.13 -0.23 -4.96 117.38 112.81 3kax n GLN 155 Ca -0.02 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 3kax n GLN 155 Cb 0.06 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.92 3kax n GLN 155 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kax n GLY 156 N 1.35 1.73 3.66 1.08 0.00 -0.64 -5.08 105.19 107.28 3kax n GLY 156 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.64 0.03 -0.01 1.61 0.31 -1.24 -4.72 118.33 113.67 3kax n VAL 157 Ca 0.00 -0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.15 3kax n VAL 157 Cb 0.00 -1.43 -0.14 0.00 -0.91 0.00 0.00 33.84 31.36 3kax n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kax n LYS 158 N 3.41 0.72 -3.29 5.55 4.76 -1.02 -4.66 118.16 123.63 3kax n LYS 158 Ca 0.17 0.27 -0.11 0.00 -2.87 0.00 0.00 58.31 55.77 3kax n LYS 158 Cb 0.27 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 3kax n LYS 158 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3kax n LEU 159 N -3.33 0.00 -3.79 -0.35 7.94 -1.22 -1.46 117.00 114.78 3kax n LEU 159 Ca -0.28 -1.99 -0.23 0.00 -1.11 0.00 0.00 56.01 52.40 3kax n LEU 159 Cb 1.05 1.51 -0.17 0.00 0.53 0.00 0.00 43.42 46.33 3kax n LEU 159 CO 0.43 -0.41 -0.39 -0.22 -1.11 0.00 0.00 177.39 175.69 3kax s LEU 161 N 0.00 0.67 -0.20 -1.96 2.96 0.10 -1.09 118.68 119.16 3kax s LEU 161 Ca 0.22 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3kax s LEU 161 Cb 0.00 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 3kax s LEU 161 CO 0.16 -0.19 0.05 -0.22 -1.32 0.00 0.00 176.35 174.83 3kax s LEU 162 N 1.94 3.59 -0.31 -0.68 2.96 0.09 -4.45 118.68 121.82 3kax s LEU 162 Ca 0.05 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 3kax s LEU 162 Cb -0.12 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3kax s LEU 162 CO -0.06 0.11 0.16 0.00 -1.32 0.00 0.00 176.35 175.24 3kax s SER 164 N 1.63 1.36 0.74 0.00 0.15 -0.30 -2.84 113.70 114.45 3kax s SER 164 Ca 0.05 -0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.10 3kax s SER 164 Cb -0.17 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3kax s SER 164 CO 0.07 -0.36 1.24 -2.84 1.20 0.00 0.00 173.24 172.55 3kax s PRO 165 N 2.38 2.01 -0.44 5.44 0.02 -1.26 -3.98 135.00 139.17 3kax s PRO 165 Ca 0.09 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 62.76 3kax s PRO 165 Cb -0.15 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.59 3kax s PRO 165 CO -0.24 -1.96 0.75 -1.58 -0.33 0.00 0.00 177.00 173.63 3kax s HIS 166 N -1.85 3.02 -0.11 6.54 2.46 0.03 -4.77 115.29 120.61 3kax s HIS 166 Ca 0.77 0.13 -0.29 0.00 0.47 0.00 0.00 55.06 56.14 3kax s HIS 166 Cb -0.32 -3.56 -0.01 0.00 -0.13 0.00 0.00 32.58 28.56 3kax s HIS 166 CO 0.46 -0.94 0.99 1.21 -2.47 0.00 0.00 174.74 173.99 3kax s ASN 167 N 2.08 7.21 0.00 9.88 3.84 -1.26 -1.08 114.94 135.61 3kax s ASN 167 Ca 0.28 1.49 0.11 0.00 0.21 0.00 0.00 52.86 54.95 3kax s ASN 167 Cb -0.13 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.21 3kax s ASN 167 CO 0.21 -0.44 1.03 -0.81 -2.79 0.00 0.00 177.10 174.30 3kax n PRO 168 N 5.03 1.59 0.04 0.43 -0.04 -1.26 -3.40 135.00 137.39 3kax n PRO 168 Ca 0.08 -1.55 0.13 0.00 -0.04 0.00 0.00 63.50 62.12 3kax n PRO 168 Cb 0.49 -1.23 0.39 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.55 0.26 -1.07 0.52 -5.35 -0.97 -4.34 119.36 108.96 3kax n ILE 169 Ca 0.09 -0.15 -0.02 0.00 -0.27 0.00 0.00 62.75 62.40 3kax n ILE 169 Cb 0.34 -0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 37.92 3kax n ILE 169 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kax n GLY 170 N 1.41 0.56 3.71 3.28 0.00 -0.24 -4.61 105.19 109.28 3kax n GLY 170 Ca 0.05 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.10 4.43 -0.37 1.61 1.81 -1.23 0.10 118.95 123.19 3kax s ARG 171 Ca 0.00 1.68 -0.11 0.00 -1.72 0.00 0.00 55.73 55.58 3kax s ARG 171 Cb 0.00 -3.43 0.03 0.00 -0.45 0.00 0.00 34.95 31.10 3kax s ARG 171 CO 0.00 -0.28 0.21 0.08 -0.68 0.00 0.00 175.30 174.63 3kax s VAL 172 N 1.39 4.62 0.30 3.52 1.01 -1.26 -0.79 120.40 129.19 3kax s VAL 172 Ca 0.57 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3kax s VAL 172 Cb -0.27 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 3kax s VAL 172 CO 0.27 -0.23 1.38 0.26 0.00 0.00 0.00 175.10 176.78 3kax s TRP 173 N 1.56 2.98 0.55 5.22 0.52 -1.26 -4.95 118.94 123.56 3kax s TRP 173 Ca 0.02 1.23 -0.16 0.00 0.02 0.00 0.00 56.10 57.21 3kax s TRP 173 Cb -0.19 -3.78 -0.06 0.00 -1.15 0.00 0.00 33.47 28.29 3kax s TRP 173 CO 0.07 -2.32 1.02 0.15 0.02 0.00 0.00 176.95 175.89 3kax s LYS 174 N -1.26 3.68 0.23 4.98 1.02 -1.26 -4.59 119.74 122.54 3kax s LYS 174 Ca 0.53 1.09 -0.06 0.00 0.02 0.00 0.00 55.97 57.55 3kax s LYS 174 Cb -0.41 -2.09 0.41 0.00 -0.52 0.00 0.00 37.83 35.22 3kax s LYS 174 CO 0.50 -0.51 1.69 -0.22 -0.92 0.00 0.00 175.35 175.90 3kax h LYS 175 N 0.76 0.25 -0.80 1.68 3.64 -1.94 -1.32 116.57 118.84 3kax h LYS 175 Ca -0.47 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3kax h LYS 175 Cb 1.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3kax h LYS 175 CO 0.60 0.17 0.53 0.93 -2.27 0.00 0.00 179.45 179.40 3kax h GLU 176 N 0.26 1.02 -0.19 1.90 3.07 -1.99 0.16 114.58 118.81 3kax h GLU 176 Ca 0.39 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.12 3kax h GLU 176 Cb 0.64 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kax h GLU 176 CO -0.49 0.67 -0.13 0.93 -1.40 0.00 0.00 179.01 178.60 3kax h GLU 177 N 1.05 0.43 -0.38 2.33 5.08 -1.65 -2.37 114.58 119.05 3kax h GLU 177 Ca 0.31 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3kax h GLU 177 Cb -0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3kax h GLU 177 CO -0.08 0.74 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.46 3kax h LEU 178 N 0.11 0.69 -0.47 1.33 3.38 -0.91 -1.01 115.31 118.43 3kax h LEU 178 Ca 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kax h LEU 178 Cb 0.63 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kax h LEU 178 CO 0.03 0.85 0.17 0.74 0.09 0.00 0.00 178.44 180.33 3kax h THR 179 N 0.63 1.21 -0.56 0.22 2.02 -0.66 0.28 112.91 116.05 3kax h THR 179 Ca 0.10 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 3kax h THR 179 Cb 0.60 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3kax h THR 179 CO 0.04 0.25 0.17 0.50 0.37 0.00 0.00 175.52 176.85 3kax h LYS 180 N 0.62 0.87 -0.34 6.66 3.64 -1.21 -0.64 116.57 126.17 3kax h LYS 180 Ca 0.15 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3kax h LYS 180 Cb 0.22 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3kax h LYS 180 CO -0.01 0.79 0.19 1.25 -2.27 0.00 0.00 179.45 179.41 3kax h LEU 181 N 0.78 0.31 -0.60 5.20 5.85 -0.91 -2.55 115.31 123.40 3kax h LEU 181 Ca 0.18 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3kax h LEU 181 Cb 0.28 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3kax h LEU 181 CO -0.01 0.23 0.21 1.23 -0.34 0.00 0.00 178.44 179.76 3kax h GLY 182 N 0.40 0.82 1.65 3.75 0.00 -0.06 -0.73 103.07 108.90 3kax h GLY 182 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3kax h GLY 182 CO -0.07 -0.03 -0.04 1.76 0.00 0.00 0.00 176.54 178.17 3kax h SER 183 N 0.38 0.41 -0.46 0.19 0.02 -0.85 0.67 113.55 113.91 3kax h SER 183 Ca 0.30 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3kax h SER 183 Cb 0.38 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3kax h SER 183 CO -0.31 0.50 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.72 3kax h LEU 184 N 0.42 0.87 -1.07 5.07 3.38 -0.95 -0.30 115.31 122.73 3kax h LEU 184 Ca 0.09 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3kax h LEU 184 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kax h LEU 184 CO 0.01 1.02 0.04 0.00 0.09 0.00 0.00 178.44 179.60 3kax h THR 186 N 0.67 1.25 -0.94 0.00 2.02 -0.76 0.10 112.91 115.26 3kax h THR 186 Ca 0.14 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.52 3kax h THR 186 Cb 0.35 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 3kax h THR 186 CO 0.01 0.27 0.61 0.50 0.37 0.00 0.00 175.52 177.27 3kax h LYS 187 N 0.15 1.06 -0.33 6.66 3.64 -0.81 -2.93 116.57 124.02 3kax h LYS 187 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kax h LYS 187 Cb 0.39 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3kax h LYS 187 CO 0.01 0.70 0.00 0.66 -2.27 0.00 0.00 179.45 178.55 3kax n TYR 188 N -4.48 0.43 -3.68 1.91 4.01 -0.89 -5.00 117.16 109.45 3kax n TYR 188 Ca 0.14 -0.32 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 3kax n TYR 188 Cb 0.18 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.94 -1.63 -4.76 7.72 5.15 0.16 -4.97 115.26 117.86 3kax n ASN 189 Ca 0.14 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 52.92 3kax n ASN 189 Cb 0.47 -4.04 -0.07 0.00 -0.53 0.00 0.00 39.78 35.61 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 -3.65 5.28 0.08 3.44 1.01 -0.06 -4.92 120.40 121.59 3kax s VAL 190 Ca 0.05 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 3kax s VAL 190 Cb -0.01 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3kax s VAL 190 CO 0.81 0.45 0.72 -0.63 0.00 0.00 0.00 175.10 176.45 3kax s ILE 191 N 0.03 4.63 -0.17 2.22 1.01 -0.54 -4.75 121.20 123.64 3kax s ILE 191 Ca 0.18 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.35 3kax s ILE 191 Cb -0.13 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3kax s ILE 191 CO 0.05 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.68 3kax s VAL 192 N -0.60 3.31 -0.40 2.92 1.01 -0.34 -4.16 120.40 122.14 3kax s VAL 192 Ca 0.35 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3kax s VAL 192 Cb -0.21 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3kax s VAL 192 CO 0.23 0.48 0.34 -0.69 0.00 0.00 0.00 175.10 175.46 3kax s VAL 193 N 0.78 5.21 -0.52 2.92 1.01 -1.26 -0.89 120.40 127.64 3kax s VAL 193 Ca -0.03 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 3kax s VAL 193 Cb -0.15 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.38 3kax s VAL 193 CO 0.01 -0.29 0.61 0.00 0.00 0.00 0.00 175.10 175.44 3kax s ALA 194 N 1.84 3.42 -0.74 5.51 0.00 0.59 -0.74 121.76 131.65 3kax s ALA 194 Ca 0.08 -1.91 -0.25 0.00 0.00 0.00 0.00 51.96 49.88 3kax s ALA 194 Cb -0.18 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.64 3kax s ALA 194 CO 0.11 -2.04 1.19 0.34 0.00 0.00 0.00 175.76 175.36 3kax s ASP 195 N 2.89 6.21 -0.32 0.00 -1.08 0.13 -0.50 116.67 124.00 3kax s ASP 195 Ca 0.13 -0.75 0.08 0.00 -0.52 0.00 0.00 52.55 51.49 3kax s ASP 195 Cb -0.21 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.25 3kax s ASP 195 CO 0.10 -1.67 1.50 -0.62 0.52 0.00 0.00 175.17 175.00 3kax n GLU 196 N 8.74 1.97 0.27 4.34 1.02 0.16 -1.14 120.64 135.99 3kax n GLU 196 Ca 0.04 -3.24 0.11 0.00 -0.02 0.00 0.00 57.16 54.04 3kax n GLU 196 Cb 0.48 -1.88 0.73 0.00 -0.02 0.00 0.00 31.44 30.74 3kax n GLU 196 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3kax h ILE 197 N 1.06 0.77 -0.43 -3.67 2.10 -1.77 -1.25 117.51 114.32 3kax h ILE 197 Ca 0.27 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.97 3kax h ILE 197 Cb 1.71 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 3kax h ILE 197 CO 0.50 0.06 0.00 1.41 -1.08 0.00 0.00 178.15 179.04 3kax n HIS 198 N -4.06 1.24 0.30 2.19 8.25 -1.26 -4.56 115.22 117.32 3kax n HIS 198 Ca -0.03 -0.46 0.15 0.00 -0.26 0.00 0.00 57.72 57.13 3kax n HIS 198 Cb 0.15 -0.28 0.71 0.00 1.12 0.00 0.00 29.99 31.69 3kax n HIS 198 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kax h SER 199 N 2.83 0.00 -0.37 0.41 4.64 -1.47 -2.89 113.55 116.70 3kax h SER 199 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kax h SER 199 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3kax h SER 199 CO 0.25 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.68 3kax n ASP 200 N -2.63 3.29 -3.92 4.97 8.00 -1.26 -4.59 116.55 120.40 3kax n ASP 200 Ca -0.00 -1.94 -0.29 0.00 0.71 0.00 0.00 54.79 53.27 3kax n ASP 200 Cb 0.17 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.34 2.92 -0.09 0.53 -1.09 -1.09 -4.99 121.20 116.05 3kax s ILE 201 Ca 0.35 -4.09 0.04 0.00 -2.23 0.00 0.00 60.65 54.72 3kax s ILE 201 Cb 0.20 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3kax s ILE 201 CO 0.28 -0.97 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.16 3kax s ILE 202 N -1.25 2.24 0.83 2.92 -1.09 -1.26 -0.36 121.20 123.23 3kax s ILE 202 Ca 0.24 -0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 3kax s ILE 202 Cb -0.08 -1.85 0.09 0.00 -1.58 0.00 0.00 42.46 39.03 3kax s ILE 202 CO -0.13 0.56 1.10 -0.31 -1.23 0.00 0.00 174.94 174.92 3kax s TYR 203 N 0.14 2.67 0.24 3.97 2.02 -0.34 -4.92 117.35 121.13 3kax s TYR 203 Ca -0.12 1.18 -0.06 0.00 -0.37 0.00 0.00 57.07 57.71 3kax s TYR 203 Cb -0.16 -3.14 0.42 0.00 -0.40 0.00 0.00 41.96 38.68 3kax s TYR 203 CO 0.07 -1.96 1.71 0.00 -1.57 0.00 0.00 175.55 173.79 3kax h ALA 204 N -1.23 0.93 -0.34 3.71 0.00 -1.93 -1.45 119.26 118.95 3kax h ALA 204 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kax h ALA 204 Cb 1.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kax h ALA 204 CO 0.58 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3kax n ASP 205 N -5.09 2.42 -4.38 0.00 8.00 -1.26 -4.90 116.55 111.34 3kax n ASP 205 Ca 0.13 -2.15 -0.20 0.00 0.71 0.00 0.00 54.79 53.28 3kax n ASP 205 Cb 0.41 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.63 1.82 -0.02 1.24 3.76 -0.55 -5.15 115.29 114.77 3kax s HIS 206 Ca 0.25 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3kax s HIS 206 Cb 0.15 -0.90 0.02 0.00 1.11 0.00 0.00 32.58 32.96 3kax s HIS 206 CO 0.14 0.37 -0.01 0.99 -0.85 0.00 0.00 174.74 175.37 3kax s THR 207 N -2.95 0.22 -0.12 1.30 2.01 -1.26 -4.72 115.64 110.12 3kax s THR 207 Ca 0.25 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 3kax s THR 207 Cb 0.00 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 3kax s THR 207 CO 0.09 0.12 0.74 -2.28 -0.69 0.00 0.00 174.62 172.60 3kax s HIS 208 N 0.65 3.49 -0.29 4.92 2.46 -1.26 -4.79 115.29 120.46 3kax s HIS 208 Ca -0.07 1.20 -0.04 0.00 0.47 0.00 0.00 55.06 56.63 3kax s HIS 208 Cb -0.10 -2.88 0.03 0.00 -0.13 0.00 0.00 32.58 29.50 3kax s HIS 208 CO -0.01 -0.08 0.02 0.99 -2.47 0.00 0.00 174.74 173.19 3kax s THR 209 N 1.48 3.33 0.22 0.89 2.01 -1.26 -4.89 115.64 117.42 3kax s THR 209 Ca 0.36 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 3kax s THR 209 Cb -0.17 -2.81 -0.11 0.00 0.01 0.00 0.00 72.50 69.42 3kax s THR 209 CO 0.15 -0.00 1.63 -2.84 -0.69 0.00 0.00 174.62 172.86 3kax s PRO 210 N 1.36 4.16 0.21 4.92 0.02 -1.26 -4.87 135.00 139.54 3kax s PRO 210 Ca -0.01 2.50 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 3kax s PRO 210 Cb -0.18 -3.09 0.19 0.00 0.02 0.00 0.00 34.50 31.43 3kax s PRO 210 CO -0.00 -0.66 1.86 0.35 -0.33 0.00 0.00 177.00 178.22 3kax h PHE 211 N 6.23 0.87 0.00 6.54 3.57 -1.98 -1.08 116.94 131.09 3kax h PHE 211 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3kax h PHE 211 Cb 1.21 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kax h PHE 211 CO 0.63 0.51 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 3kax h ALA 212 N 1.30 1.00 0.00 2.41 0.00 -1.89 -2.70 119.26 119.37 3kax h ALA 212 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kax h ALA 212 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kax h ALA 212 CO -0.10 0.00 -0.02 -1.13 0.00 0.00 0.00 179.25 178.00 3kax n SER 213 N -2.62 0.03 0.07 0.00 3.41 -0.41 -3.47 113.62 110.63 3kax n SER 213 Ca -0.01 0.47 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 3kax n SER 213 Cb 0.14 -0.47 0.09 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.34 -7.03 1.04 3.38 -1.56 -3.47 115.31 108.01 3kax h LEU 214 Ca 0.00 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.91 3kax h LEU 214 Cb 0.50 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.99 3kax h LEU 214 CO 0.00 0.89 0.57 -0.94 0.09 0.00 0.00 178.44 179.06 3kax s SER 215 N -6.91 -0.30 0.31 -0.43 1.04 -1.26 -5.00 113.70 101.14 3kax s SER 215 Ca -0.05 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.41 3kax s SER 215 Cb 0.11 0.33 0.50 0.00 0.10 0.00 0.00 66.02 67.06 3kax s SER 215 CO 0.81 -0.53 1.79 -0.33 0.98 0.00 0.00 173.24 175.96 3kax h GLU 216 N 2.00 0.47 -0.42 4.02 5.08 -1.91 -0.55 114.58 123.27 3kax h GLU 216 Ca -0.19 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3kax h GLU 216 Cb 1.22 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3kax h GLU 216 CO 0.29 0.62 0.23 1.49 -1.00 0.00 0.00 179.01 180.64 3kax h GLU 217 N 0.43 0.46 0.02 2.33 4.57 -1.95 -1.27 114.58 119.18 3kax h GLU 217 Ca 0.08 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.00 3kax h GLU 217 Cb 0.53 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3kax h GLU 217 CO 0.03 0.30 -0.98 -0.07 -1.18 0.00 0.00 179.01 177.12 3kax h LEU 218 N 0.47 0.53 -1.31 1.64 3.38 -1.82 -2.99 115.31 115.20 3kax h LEU 218 Ca 0.17 -0.44 0.15 0.00 0.09 0.00 0.00 57.88 57.85 3kax h LEU 218 Cb 0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3kax h LEU 218 CO -0.09 1.25 0.57 0.00 0.09 0.00 0.00 178.44 180.26 3kax h ALA 219 N 0.72 1.88 0.00 1.53 0.00 -0.91 -1.93 119.26 120.55 3kax h ALA 219 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kax h ALA 219 Cb 1.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kax h ALA 219 CO 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3kax n ALA 220 N -2.44 2.11 -1.17 0.00 0.00 -0.49 -3.31 120.51 115.21 3kax n ALA 220 Ca 0.18 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.60 3kax n ALA 220 Cb 0.50 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.50 1.13 -4.93 0.00 1.85 -0.75 -4.70 116.66 107.76 3kax n ARG 221 Ca 0.06 -2.09 -0.27 0.00 -1.00 0.00 0.00 57.85 54.55 3kax n ARG 221 Cb 0.28 -1.21 -0.16 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.02 1.55 -0.28 8.89 2.01 -1.07 -1.20 115.64 123.53 3kax s THR 222 Ca 0.21 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 3kax s THR 222 Cb 0.19 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.39 3kax s THR 222 CO 0.02 0.44 0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 3kax s ILE 223 N -0.15 3.66 -0.22 1.82 1.09 -0.07 -4.43 121.20 122.90 3kax s ILE 223 Ca -0.00 -0.76 -0.08 0.00 -1.10 0.00 0.00 60.65 58.71 3kax s ILE 223 Cb -0.10 -2.87 -0.04 0.00 -1.06 0.00 0.00 42.46 38.39 3kax s ILE 223 CO 0.01 0.13 0.09 -0.89 -0.10 0.00 0.00 174.94 174.18 3kax s THR 224 N 1.45 4.77 0.17 2.92 2.01 -0.47 -0.30 115.64 126.19 3kax s THR 224 Ca 0.02 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.05 3kax s THR 224 Cb -0.17 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3kax s THR 224 CO 0.00 0.39 0.07 0.00 -0.69 0.00 0.00 174.62 174.39 3kax n ALA 227 N -0.27 0.00 1.70 0.00 0.00 -1.26 -0.66 120.51 120.01 3kax n ALA 227 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.50 3kax n ALA 227 Cb 0.55 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.73 1.22 0.00 0.00 -0.04 -1.26 -4.60 135.00 129.59 3kax n PRO 228 Ca 0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 3kax n PRO 228 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3kax n PRO 228 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3kax n SER 229 N -0.51 0.00 0.00 3.54 7.64 -1.26 -1.22 113.62 121.81 3kax n SER 229 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3kax n SER 229 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3kax n SER 229 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kax n THR 231 N -0.76 0.00 -0.05 0.44 -1.04 -1.26 -1.84 114.28 109.76 3kax n THR 231 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 3kax n THR 231 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 3kax n THR 231 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3kax n PHE 232 N 0.00 0.18 -3.37 -1.42 3.72 -0.35 -5.01 117.46 111.21 3kax n PHE 232 Ca 0.00 -0.46 -0.18 0.00 -0.05 0.00 0.00 57.45 56.76 3kax n PHE 232 Cb 0.00 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.04 -3.40 -1.47 4.37 5.15 -0.77 -4.47 115.26 114.63 3kax n ASN 233 Ca 0.05 -0.54 -0.03 0.00 -0.60 0.00 0.00 54.58 53.46 3kax n ASN 233 Cb 0.31 -4.67 0.10 0.00 -0.53 0.00 0.00 39.78 34.99 3kax n ASN 233 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3kax n ILE 234 N -4.17 1.73 0.07 -1.44 -5.35 -0.78 -4.76 119.36 104.66 3kax n ILE 234 Ca -0.17 -3.02 0.13 0.00 -0.27 0.00 0.00 62.75 59.42 3kax n ILE 234 Cb 0.62 -0.03 0.61 0.00 -1.74 0.00 0.00 39.64 39.10 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 1.54 2.14 0.00 -1.28 0.00 -1.89 -1.70 119.26 118.07 3kax h ALA 235 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kax h ALA 235 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kax h ALA 235 CO 0.25 -0.23 0.00 0.78 0.00 0.00 0.00 179.25 180.05 3kax h GLY 236 N 0.14 0.00 1.06 0.00 0.00 -1.93 -2.13 103.07 100.21 3kax h GLY 236 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kax h GLY 236 CO -0.02 0.00 -0.44 1.04 0.00 0.00 0.00 176.54 177.12 3kax n LEU 237 N -2.59 0.48 -3.49 3.11 4.32 -0.64 -4.99 117.00 113.19 3kax n LEU 237 Ca -0.00 0.04 -0.22 0.00 -0.02 0.00 0.00 56.01 55.80 3kax n LEU 237 Cb 0.17 -0.27 0.06 0.00 -1.62 0.00 0.00 43.42 41.76 3kax n LEU 237 CO 0.19 0.12 -0.02 0.00 -1.22 0.00 0.00 177.39 176.45 3kax n GLN 238 N -1.46 -2.56 -4.39 3.23 6.02 -0.80 -4.22 117.38 113.20 3kax n GLN 238 Ca 0.06 0.67 -0.33 0.00 -0.01 0.00 0.00 57.00 57.39 3kax n GLN 238 Cb 0.34 -5.10 -0.16 0.00 1.02 0.00 0.00 30.24 26.34 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 -3.46 2.45 0.03 -1.58 0.00 -1.26 -4.23 121.76 113.69 3kax s ALA 239 Ca 0.36 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 3kax s ALA 239 Cb -0.09 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 3kax s ALA 239 CO 0.80 -0.15 0.13 -1.12 0.00 0.00 0.00 175.76 175.42 3kax s SER 240 N 1.00 0.09 -0.13 0.00 0.01 -0.63 -4.20 113.70 109.84 3kax s SER 240 Ca -0.02 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 56.88 3kax s SER 240 Cb -0.15 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.32 3kax s SER 240 CO -0.04 -0.47 -0.22 -0.63 0.41 0.00 0.00 173.24 172.29 3kax s ILE 241 N -2.17 2.10 -0.19 1.44 1.01 -1.26 -2.17 121.20 119.96 3kax s ILE 241 Ca -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 3kax s ILE 241 Cb -0.03 -1.83 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 3kax s ILE 241 CO -0.02 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.73 3kax s ILE 242 N 0.67 2.88 -0.26 2.92 -1.09 0.11 -4.41 121.20 122.02 3kax s ILE 242 Ca -0.11 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.57 3kax s ILE 242 Cb -0.16 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3kax s ILE 242 CO 0.02 0.48 0.08 -0.63 -1.23 0.00 0.00 174.94 173.65 3kax s ILE 243 N 1.22 4.30 -0.38 2.92 1.01 0.44 0.00 121.20 130.71 3kax s ILE 243 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3kax s ILE 243 Cb -0.14 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.41 3kax s ILE 243 CO -0.05 0.30 0.18 -0.63 0.00 0.00 0.00 174.94 174.74 3kax s ILE 244 N 1.61 1.09 0.40 2.92 1.01 -0.12 -1.37 121.20 126.73 3kax s ILE 244 Ca 0.06 -2.04 0.10 0.00 0.00 0.00 0.00 60.65 58.76 3kax s ILE 244 Cb -0.15 -1.79 0.18 0.00 0.01 0.00 0.00 42.46 40.71 3kax s ILE 244 CO 0.04 -0.82 1.95 -0.65 0.00 0.00 0.00 174.94 175.45 3kax h PRO 245 N 7.27 0.26 -6.38 2.79 0.11 -1.77 -3.42 132.00 130.86 3kax h PRO 245 Ca -0.05 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.44 3kax h PRO 245 Cb 0.96 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 3kax h PRO 245 CO 0.45 0.35 0.87 1.21 -0.21 0.00 0.00 178.00 180.68 3kax s ASN 246 N -6.87 6.86 0.30 -2.05 3.84 -1.26 -4.92 114.94 110.83 3kax s ASN 246 Ca -0.06 0.98 0.00 0.00 0.21 0.00 0.00 52.86 54.00 3kax s ASN 246 Cb 0.16 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.83 3kax s ASN 246 CO 0.73 -0.96 1.91 -0.08 -2.79 0.00 0.00 177.10 175.91 3kax h GLU 247 N 8.41 1.02 -0.24 0.43 4.81 -1.96 0.63 114.58 127.67 3kax h GLU 247 Ca -0.22 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3kax h GLU 247 Cb 1.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3kax h GLU 247 CO 1.05 0.67 0.05 0.87 -0.73 0.00 0.00 179.01 180.92 3kax h LYS 248 N 1.05 0.39 -0.73 1.92 1.57 -1.96 -0.45 116.57 118.36 3kax h LYS 248 Ca 0.39 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3kax h LYS 248 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3kax h LYS 248 CO -0.15 0.51 0.25 -0.07 -0.57 0.00 0.00 179.45 179.42 3kax h LEU 249 N 0.21 1.05 -0.41 2.94 3.38 -1.84 -2.03 115.31 118.60 3kax h LEU 249 Ca 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kax h LEU 249 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kax h LEU 249 CO 0.00 0.97 0.13 -0.09 0.09 0.00 0.00 178.44 179.54 3kax h ARG 250 N 1.07 0.64 -0.88 1.13 2.43 -0.71 -0.23 114.38 117.83 3kax h ARG 250 Ca 0.24 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3kax h ARG 250 Cb 0.28 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3kax h ARG 250 CO -0.01 0.63 0.48 1.96 -1.51 0.00 0.00 179.97 181.53 3kax h GLN 251 N 0.52 1.23 -0.28 0.20 4.20 -0.96 -0.03 115.11 119.99 3kax h GLN 251 Ca 0.13 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3kax h GLN 251 Cb 0.26 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kax h GLN 251 CO -0.00 0.90 0.08 0.00 -0.67 0.00 0.00 178.83 179.13 3kax h ALA 252 N 1.30 0.37 -0.14 3.87 0.00 -0.97 -0.24 119.26 123.46 3kax h ALA 252 Ca 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kax h ALA 252 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kax h ALA 252 CO -0.05 0.02 -0.00 0.35 0.00 0.00 0.00 179.25 179.57 3kax h PHE 253 N 0.29 -0.01 -0.01 0.00 3.57 -0.72 -2.48 116.94 117.58 3kax h PHE 253 Ca 0.09 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 3kax h PHE 253 Cb 0.27 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3kax h PHE 253 CO 0.01 -0.02 -0.40 1.79 -2.23 0.00 0.00 178.31 177.46 3kax h THR 254 N 0.04 1.29 -0.91 4.41 1.35 -0.89 -2.29 112.91 115.92 3kax h THR 254 Ca 0.06 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.54 3kax h THR 254 Cb 0.08 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 3kax h THR 254 CO -0.11 0.40 0.60 0.77 -0.25 0.00 0.00 175.52 176.93 3kax h SER 255 N 0.02 1.05 -0.03 5.36 4.64 -0.65 0.10 113.55 124.03 3kax h SER 255 Ca -0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3kax h SER 255 Cb 0.72 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3kax h SER 255 CO 0.05 0.76 -0.02 0.40 -0.87 0.00 0.00 176.83 177.16 3kax h ILE 256 N 1.24 1.33 -0.60 0.95 1.08 -0.99 -1.90 117.51 118.62 3kax h ILE 256 Ca 0.33 -1.03 0.10 0.00 -0.39 0.00 0.00 64.86 63.88 3kax h ILE 256 Cb -0.14 1.96 -0.08 0.00 -3.07 0.00 0.00 36.82 35.49 3kax h ILE 256 CO -0.07 0.27 0.19 1.56 -0.69 0.00 0.00 178.15 179.41 3kax h GLN 257 N -0.33 0.34 -0.45 2.37 4.20 -1.20 -2.20 115.11 117.84 3kax h GLN 257 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3kax h GLN 257 Cb 0.45 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3kax h GLN 257 CO 0.01 0.22 0.26 -0.92 -0.67 0.00 0.00 178.83 177.73 3kax h TYR 258 N 0.35 0.61 0.00 2.96 3.20 -0.70 -1.75 116.97 121.64 3kax h TYR 258 Ca 0.31 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3kax h TYR 258 Cb 0.42 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3kax h TYR 258 CO -0.20 0.44 0.00 0.07 -1.64 0.00 0.00 178.16 176.83 3kax h ARG 259 N 0.60 0.00 -0.01 1.82 0.11 -0.98 -1.56 114.38 114.35 3kax h ARG 259 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3kax h ARG 259 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3kax h ARG 259 CO -0.03 0.00 -0.06 1.04 0.10 0.00 0.00 179.97 181.02 3kax n GLN 260 N -2.66 1.31 -0.58 0.08 6.02 -0.86 -4.94 117.38 115.75 3kax n GLN 260 Ca 0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 3kax n GLN 260 Cb 0.26 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.70 3.74 1.08 0.00 -0.59 -5.04 105.19 106.28 3kax n GLY 261 Ca 0.18 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.14 -0.04 1.61 5.36 -0.71 -4.92 117.98 120.42 3kax s PHE 262 Ca 0.00 1.09 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 3kax s PHE 262 Cb 0.00 -3.72 -0.12 0.00 -0.34 0.00 0.00 43.02 38.84 3kax s PHE 262 CO 0.00 -2.34 0.11 0.72 -1.46 0.00 0.00 175.22 172.26 3kax n HIS 263 N 2.63 0.00 -0.10 10.12 8.25 -1.26 -4.62 115.22 130.25 3kax n HIS 263 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3kax n HIS 263 Cb 0.41 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 2.25 -0.67 3.90 -1.41 0.00 -1.26 -5.08 105.19 102.92 3kax n GLY 264 Ca -0.07 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 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 2.94 0.71 0.99 1.43 -1.26 -4.94 118.68 118.56 3kax s LEU 265 Ca 0.00 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3kax s LEU 265 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 3kax s LEU 265 CO 0.00 -1.36 1.06 0.54 0.23 0.00 0.00 176.35 176.83 3kax s ASN 266 N -4.39 5.25 0.23 2.29 2.20 -1.26 -4.94 114.94 114.33 3kax s ASN 266 Ca 0.58 1.60 -0.07 0.00 -0.94 0.00 0.00 52.86 54.03 3kax s ASN 266 Cb -0.11 -2.46 0.40 0.00 -2.00 0.00 0.00 41.25 37.09 3kax s ASN 266 CO 0.48 -1.52 1.70 0.40 -2.94 0.00 0.00 177.10 175.22 3kax h ILE 267 N -0.77 0.59 0.00 0.54 2.04 -1.94 -2.14 117.51 115.82 3kax h ILE 267 Ca -0.44 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3kax h ILE 267 Cb 1.22 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kax h ILE 267 CO 0.57 0.05 -0.25 -0.26 0.00 0.00 0.00 178.15 178.26 3kax h PHE 268 N 0.30 0.00 -0.54 1.37 0.04 -1.92 -2.73 116.94 113.45 3kax h PHE 268 Ca 0.38 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.14 3kax h PHE 268 Cb 0.61 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 3kax h PHE 268 CO -0.24 0.25 0.29 0.00 -0.60 0.00 0.00 178.31 178.02 3kax h ALA 269 N 1.75 0.70 -0.61 2.45 0.00 -1.55 0.90 119.26 122.89 3kax h ALA 269 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3kax h ALA 269 Cb 0.99 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kax h ALA 269 CO 0.03 0.22 0.00 1.88 0.00 0.00 0.00 179.25 181.39 3kax h TYR 270 N 0.73 1.17 -0.36 0.00 0.05 -1.48 -2.99 116.97 114.09 3kax h TYR 270 Ca 0.19 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3kax h TYR 270 Cb 0.06 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3kax h TYR 270 CO -0.01 1.02 0.12 1.15 -1.05 0.00 0.00 178.16 179.39 3kax h THR 271 N 0.98 1.21 0.00 -2.88 2.02 -1.34 -0.88 112.91 112.01 3kax h THR 271 Ca 0.17 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3kax h THR 271 Cb 0.56 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3kax h THR 271 CO 0.03 0.23 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3kax n ALA 272 N -2.31 1.54 0.00 6.16 0.00 0.28 -2.52 120.51 123.66 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 0.58 0.00 -0.04 0.00 6.02 -0.34 -0.21 117.38 123.39 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 0.09 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.23 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 0.08 -0.85 1.08 0.87 -1.76 -3.20 113.55 109.77 3kax h SER 275 Ca 0.00 -0.81 0.20 0.00 -1.23 0.00 0.00 61.79 59.95 3kax h SER 275 Cb 0.00 -0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 61.82 3kax h SER 275 CO 0.00 0.87 0.33 0.00 -0.53 0.00 0.00 176.83 177.50 3kax h ALA 276 N 0.21 1.27 -0.40 6.23 0.00 -0.86 0.98 119.26 126.68 3kax h ALA 276 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kax h ALA 276 Cb 0.89 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kax h ALA 276 CO 0.02 -0.32 0.00 0.66 0.00 0.00 0.00 179.25 179.61 3kax n TYR 277 N -5.06 0.52 0.00 0.00 4.01 -1.25 -4.21 117.16 111.17 3kax n TYR 277 Ca 0.19 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3kax n TYR 277 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.88 0.00 0.22 -0.72 -2.24 -0.70 -4.80 114.28 106.92 3kax n THR 278 Ca 0.17 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.99 3kax n THR 278 Cb 0.43 -0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.56 0.83 -0.07 -0.78 1.02 0.26 -4.68 120.64 115.66 3kax n GLU 279 Ca 0.00 -1.22 0.05 0.00 -0.02 0.00 0.00 57.16 55.98 3kax n GLU 279 Cb 0.21 -1.17 0.09 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.19 0.96 -0.10 0.00 2.35 -1.85 -1.08 115.58 116.05 3kax h ASN 281 Ca 0.00 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3kax h ASN 281 Cb 0.80 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 3kax h ASN 281 CO 0.01 0.70 0.03 0.44 -1.65 0.00 0.00 177.43 176.97 3kax h ASP 282 N 1.13 0.14 -0.42 5.81 3.32 -1.98 -1.12 116.42 123.31 3kax h ASP 282 Ca 0.31 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3kax h ASP 282 Cb -0.12 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3kax h ASP 282 CO -0.07 0.31 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.46 3kax h TRP 283 N -0.03 -0.13 -0.29 4.55 7.01 -1.89 -2.10 115.95 123.08 3kax h TRP 283 Ca 0.03 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.08 3kax h TRP 283 Cb 0.22 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 3kax h TRP 283 CO -0.00 -0.14 0.15 1.25 -2.79 0.00 0.00 178.44 176.91 3kax h LEU 284 N 0.05 0.23 -0.76 0.65 5.85 -1.03 -0.28 115.31 120.02 3kax h LEU 284 Ca 0.21 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.03 3kax h LEU 284 Cb 0.31 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3kax h LEU 284 CO -0.39 0.18 0.40 0.78 -0.34 0.00 0.00 178.44 179.06 3kax h ASN 285 N 0.32 0.55 -0.39 1.25 2.35 -0.97 0.13 115.58 118.81 3kax h ASN 285 Ca 0.12 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 3kax h ASN 285 Cb 0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kax h ASN 285 CO -0.07 0.31 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.37 3kax h GLU 286 N 0.68 0.91 -0.55 0.81 5.08 -0.95 -2.40 114.58 118.15 3kax h GLU 286 Ca 0.37 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3kax h GLU 286 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3kax h GLU 286 CO -0.26 1.10 0.05 0.82 -1.00 0.00 0.00 179.01 179.73 3kax h ILE 287 N 0.72 1.26 -0.59 3.13 1.08 -0.54 -1.02 117.51 121.54 3kax h ILE 287 Ca 0.07 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 3kax h ILE 287 Cb 0.90 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 3kax h ILE 287 CO 0.08 0.37 0.36 0.03 -0.69 0.00 0.00 178.15 178.30 3kax h ARG 288 N 0.83 0.80 -0.20 2.37 3.08 -0.85 -0.30 114.38 120.11 3kax h ARG 288 Ca 0.16 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3kax h ARG 288 Cb 0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kax h ARG 288 CO 0.02 0.57 0.09 0.74 -1.07 0.00 0.00 179.97 180.32 3kax h PHE 289 N 0.80 0.28 -0.42 3.04 0.04 -1.24 -2.29 116.94 117.16 3kax h PHE 289 Ca 0.21 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3kax h PHE 289 Cb -0.03 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3kax h PHE 289 CO -0.02 0.30 0.21 -0.92 -0.60 0.00 0.00 178.31 177.28 3kax h TYR 290 N 0.19 0.59 -0.29 -0.55 3.20 -0.84 -0.96 116.97 118.31 3kax h TYR 290 Ca 0.07 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3kax h TYR 290 Cb 0.12 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3kax h TYR 290 CO -0.02 0.47 0.12 0.82 -1.64 0.00 0.00 178.16 177.91 3kax h ILE 291 N 0.53 1.17 -0.65 1.81 1.08 -1.05 -1.05 117.51 119.36 3kax h ILE 291 Ca 0.14 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3kax h ILE 291 Cb 0.09 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 3kax h ILE 291 CO -0.02 0.18 0.36 -0.08 -0.69 0.00 0.00 178.15 177.90 3kax h GLU 292 N 0.33 0.90 -0.76 2.37 4.81 -1.24 0.17 114.58 121.15 3kax h GLU 292 Ca 0.10 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3kax h GLU 292 Cb 0.17 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3kax h GLU 292 CO -0.01 0.67 0.45 0.22 -0.73 0.00 0.00 179.01 179.62 3kax h ASP 293 N 0.88 0.70 -0.79 1.04 3.58 -0.88 -0.95 116.42 120.01 3kax h ASP 293 Ca 0.23 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.73 3kax h ASP 293 Cb 0.03 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3kax h ASP 293 CO -0.04 0.45 0.50 0.78 -2.88 0.00 0.00 179.24 178.05 3kax h ASN 294 N 0.83 0.83 -0.37 2.28 2.35 -0.60 -0.41 115.58 120.49 3kax h ASN 294 Ca 0.33 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3kax h ASN 294 Cb 0.17 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3kax h ASN 294 CO -0.17 0.57 0.24 0.00 -1.65 0.00 0.00 177.43 176.42 3kax h ALA 295 N 1.33 0.47 -0.54 -0.83 0.00 -0.06 0.01 119.26 119.65 3kax h ALA 295 Ca 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3kax h ALA 295 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kax h ALA 295 CO -0.11 -0.08 0.13 0.87 0.00 0.00 0.00 179.25 180.07 3kax h LYS 296 N 0.50 0.86 -0.48 0.00 1.57 -1.00 -1.07 116.57 116.94 3kax h LYS 296 Ca 0.14 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kax h LYS 296 Cb -0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3kax h LYS 296 CO -0.04 0.81 0.31 0.35 -0.57 0.00 0.00 179.45 180.31 3kax h PHE 297 N 0.75 0.62 -0.29 -1.35 3.57 -0.80 -1.69 116.94 117.75 3kax h PHE 297 Ca 0.17 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3kax h PHE 297 Cb 0.33 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3kax h PHE 297 CO 0.02 0.40 -0.26 0.00 -2.23 0.00 0.00 178.31 176.25 3kax h ALA 298 N 1.16 0.42 -0.70 2.41 0.00 -0.82 -0.03 119.26 121.70 3kax h ALA 298 Ca 0.18 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3kax h ALA 298 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kax h ALA 298 CO -0.04 0.41 0.23 0.00 0.00 0.00 0.00 179.25 179.86 3kax h GLU 300 N 1.02 0.98 -0.31 0.00 4.81 -1.13 -1.36 114.58 118.60 3kax h GLU 300 Ca 0.23 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3kax h GLU 300 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3kax h GLU 300 CO -0.01 0.93 0.15 -0.92 -0.73 0.00 0.00 179.01 178.44 3kax h TYR 301 N 0.87 0.44 -0.25 0.92 3.20 -0.65 -0.21 116.97 121.30 3kax h TYR 301 Ca 0.18 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kax h TYR 301 Cb 0.44 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kax h TYR 301 CO 0.03 0.38 0.08 0.82 -1.64 0.00 0.00 178.16 177.83 3kax h ILE 302 N 0.37 1.19 -0.56 1.81 2.04 -1.03 0.45 117.51 121.79 3kax h ILE 302 Ca 0.11 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3kax h ILE 302 Cb 0.10 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kax h ILE 302 CO -0.01 0.20 0.30 0.50 0.00 0.00 0.00 178.15 179.13 3kax h LYS 303 N 0.23 0.57 0.04 2.37 3.64 -1.04 -0.96 116.57 121.42 3kax h LYS 303 Ca 0.08 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 3kax h LYS 303 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3kax h LYS 303 CO -0.00 0.37 -1.13 -0.44 -2.27 0.00 0.00 179.45 175.98 3kax h ASP 304 N 0.58 0.12 0.00 4.20 5.19 -0.87 -3.42 116.42 122.22 3kax h ASP 304 Ca 0.24 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3kax h ASP 304 Cb 0.12 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3kax h ASP 304 CO -0.15 1.10 -0.51 1.41 -3.12 0.00 0.00 179.24 177.98 3kax n HIS 305 N -3.38 0.00 -3.76 4.55 8.25 0.14 -4.87 115.22 116.15 3kax n HIS 305 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 3kax n HIS 305 Cb 0.97 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.96 3kax n HIS 305 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kax s ILE 306 N -1.30 2.02 0.55 1.59 1.01 -0.37 -4.96 121.20 119.74 3kax s ILE 306 Ca 0.00 -3.47 0.24 0.00 0.00 0.00 0.00 60.65 57.42 3kax s ILE 306 Cb 0.00 -2.36 0.31 0.00 0.01 0.00 0.00 42.46 40.42 3kax s ILE 306 CO 0.00 -1.00 2.19 1.55 0.00 0.00 0.00 174.94 177.68 3kax h PRO 307 N 5.86 0.00 0.00 2.79 0.13 -1.85 -2.05 132.00 136.88 3kax h PRO 307 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kax h PRO 307 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kax h PRO 307 CO 0.59 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.63 3kax n THR 308 N -4.10 0.17 -4.23 1.56 -2.24 -1.26 -4.83 114.28 99.36 3kax n THR 308 Ca -0.03 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 3kax n THR 308 Cb 0.10 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 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 -3.32 3.30 0.08 3.22 1.43 -0.77 -4.20 118.68 118.42 3kax s LEU 309 Ca 0.13 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3kax s LEU 309 Cb 0.17 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3kax s LEU 309 CO 0.53 0.05 -0.02 -0.94 0.23 0.00 0.00 176.35 176.21 3kax s SER 310 N -3.22 0.62 0.00 2.29 1.04 -0.83 -4.82 113.70 108.78 3kax s SER 310 Ca 0.29 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3kax s SER 310 Cb -0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3kax s SER 310 CO 0.19 -0.60 0.00 0.55 0.98 0.00 0.00 173.24 174.36 3kax n VAL 311 N 0.01 0.00 -5.04 5.02 3.14 -1.26 -0.33 118.33 119.87 3kax n VAL 311 Ca -0.11 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 60.99 3kax n VAL 311 Cb 0.62 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.24 3kax n VAL 311 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3kax s LYS 313 N 1.60 1.76 0.69 1.45 -2.85 -1.26 -5.06 119.74 116.07 3kax s LYS 313 Ca 0.00 -0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 3kax s LYS 313 Cb 0.00 -1.68 0.01 0.00 -2.06 0.00 0.00 37.83 34.10 3kax s LYS 313 CO 0.00 0.44 1.06 -1.25 0.10 0.00 0.00 175.35 175.70 3kax s PRO 314 N -0.45 2.97 0.00 1.78 0.04 -1.26 -4.91 135.00 133.16 3kax s PRO 314 Ca 0.07 0.89 0.06 0.00 0.04 0.00 0.00 61.00 62.07 3kax s PRO 314 Cb -0.09 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3kax s PRO 314 CO -0.00 -1.06 0.43 0.39 0.04 0.00 0.00 177.00 176.79 3kax n GLU 315 N -3.10 3.13 -3.90 4.56 1.02 0.11 -5.01 120.64 117.46 3kax n GLU 315 Ca 0.07 -0.34 -0.01 0.00 -0.02 0.00 0.00 57.16 56.87 3kax n GLU 315 Cb 0.54 -0.91 0.01 0.00 -0.02 0.00 0.00 31.44 31.06 3kax n GLU 315 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kax s GLY 316 N -1.19 -0.03 0.00 0.62 0.00 -1.17 -1.19 107.32 104.36 3kax s GLY 316 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3kax s GLY 316 CO 0.18 3.36 0.00 -1.26 0.00 0.00 0.00 173.10 175.39 3kax n SER 317 N -1.08 -5.02 -1.07 1.64 2.88 0.52 -4.64 113.62 106.85 3kax n SER 317 Ca -0.01 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.58 3kax n SER 317 Cb 0.59 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.15 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 -1.37 0.00 -4.71 0.66 1.16 -1.26 -4.91 117.46 107.03 3kax n PHE 318 Ca 0.00 -0.89 -0.34 0.00 -1.87 0.00 0.00 57.45 54.35 3kax n PHE 318 Cb 0.00 -0.19 -0.12 0.00 -1.61 0.00 0.00 39.48 37.57 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 -1.36 3.03 -0.14 5.98 1.43 -1.26 -0.73 118.68 125.63 3kax s LEU 319 Ca 0.34 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3kax s LEU 319 Cb 0.36 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3kax s LEU 319 CO -0.12 0.35 -0.03 -0.22 0.23 0.00 0.00 176.35 176.56 3kax s LEU 320 N -0.75 3.32 -0.33 1.79 2.96 0.29 -4.81 118.68 121.15 3kax s LEU 320 Ca 0.11 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3kax s LEU 320 Cb -0.11 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.83 3kax s LEU 320 CO 0.01 0.21 0.08 0.86 -1.32 0.00 0.00 176.35 176.19 3kax s TRP 321 N 0.10 3.25 -0.19 5.38 -0.11 -1.26 -1.60 118.94 124.50 3kax s TRP 321 Ca -0.00 -1.49 -0.04 0.00 1.22 0.00 0.00 56.10 55.78 3kax s TRP 321 Cb -0.13 -2.23 -0.02 0.00 -1.50 0.00 0.00 33.47 29.58 3kax s TRP 321 CO 0.03 -0.74 -0.02 0.42 -4.62 0.00 0.00 176.95 172.02 3kax s ILE 322 N 1.38 3.85 -0.28 5.86 1.01 0.57 -4.68 121.20 128.91 3kax s ILE 322 Ca -0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 3kax s ILE 322 Cb -0.19 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.56 3kax s ILE 322 CO 0.02 0.45 0.92 -0.62 0.00 0.00 0.00 174.94 175.71 3kax s ASP 323 N 0.86 6.87 -0.07 3.58 -1.08 0.55 -1.25 116.67 126.13 3kax s ASP 323 Ca 0.00 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 3kax s ASP 323 Cb -0.14 -2.48 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 3kax s ASP 323 CO 0.02 -0.67 1.42 0.00 0.52 0.00 0.00 175.17 176.46 3kax h SER 325 N 2.76 0.34 0.15 0.00 4.64 -1.84 -1.94 113.55 117.66 3kax h SER 325 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kax h SER 325 Cb 1.09 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kax h SER 325 CO 0.11 0.22 -0.03 0.00 -0.87 0.00 0.00 176.83 176.26 3kax h ALA 326 N 1.76 1.27 0.00 5.18 0.00 -1.85 -1.42 119.26 124.20 3kax h ALA 326 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3kax h ALA 326 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kax h ALA 326 CO -0.05 0.04 -0.33 -0.07 0.00 0.00 0.00 179.25 178.84 3kax h LEU 327 N 0.00 0.00 -1.48 0.00 3.38 -1.53 -3.48 115.31 112.21 3kax h LEU 327 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3kax h LEU 327 Cb 0.11 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.93 3kax h LEU 327 CO 0.00 0.33 -0.79 -3.20 0.09 0.00 0.00 178.44 174.88 3kax n ASN 328 N -3.62 -2.71 -4.64 -0.43 5.15 -0.54 -5.00 115.26 103.48 3kax n ASN 328 Ca -0.01 -0.74 -0.30 0.00 -0.60 0.00 0.00 54.58 52.93 3kax n ASN 328 Cb 0.45 -4.33 -0.09 0.00 -0.53 0.00 0.00 39.78 35.28 3kax n ASN 328 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kax s LEU 329 N -6.82 3.29 0.86 1.20 1.43 -1.26 -5.11 118.68 112.26 3kax s LEU 329 Ca 0.21 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3kax s LEU 329 Cb -0.10 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.20 3kax s LEU 329 CO 0.79 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 177.71 3kax s SER 330 N -2.16 3.80 0.18 2.29 1.04 -1.26 -4.80 113.70 112.79 3kax s SER 330 Ca 0.23 1.59 -0.14 0.00 0.48 0.00 0.00 55.95 58.11 3kax s SER 330 Cb -0.11 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 63.88 3kax s SER 330 CO 0.15 -2.45 1.75 -0.61 0.98 0.00 0.00 173.24 173.07 3kax h GLN 331 N -1.42 0.33 -0.47 4.02 4.15 -2.00 0.06 115.11 119.80 3kax h GLN 331 Ca -0.48 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 3kax h GLN 331 Cb 1.27 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 3kax h GLN 331 CO 0.54 0.22 0.22 0.22 -1.93 0.00 0.00 178.83 178.09 3kax h ASP 332 N 0.34 0.62 -0.54 -0.69 3.58 -1.99 -0.02 116.42 117.71 3kax h ASP 332 Ca 0.22 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 3kax h ASP 332 Cb 0.22 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3kax h ASP 332 CO -0.22 0.59 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.30 3kax h GLU 333 N 0.61 1.02 -0.42 0.28 5.08 -1.88 -0.66 114.58 118.62 3kax h GLU 333 Ca 0.16 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3kax h GLU 333 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3kax h GLU 333 CO -0.02 1.06 0.15 -0.09 -1.00 0.00 0.00 179.01 179.12 3kax h ARG 334 N 0.90 0.64 -0.56 2.33 2.43 -0.78 -1.60 114.38 117.75 3kax h ARG 334 Ca 0.14 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3kax h ARG 334 Cb 0.67 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3kax h ARG 334 CO 0.05 0.61 0.23 1.15 -1.51 0.00 0.00 179.97 180.50 3kax h THR 335 N 0.53 1.22 -0.62 0.20 2.02 -0.80 -1.61 112.91 113.86 3kax h THR 335 Ca 0.14 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3kax h THR 335 Cb 0.23 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3kax h THR 335 CO -0.01 0.26 0.22 0.11 0.37 0.00 0.00 175.52 176.48 3kax h LYS 336 N 0.76 0.93 -0.65 6.66 1.79 -1.04 -1.12 116.57 123.91 3kax h LYS 336 Ca 0.19 -0.18 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 3kax h LYS 336 Cb 0.19 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 3kax h LYS 336 CO -0.02 0.81 0.06 1.25 -1.08 0.00 0.00 179.45 180.47 3kax h LEU 337 N 0.87 1.07 -0.63 2.94 5.85 -1.03 0.20 115.31 124.58 3kax h LEU 337 Ca 0.20 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3kax h LEU 337 Cb 0.24 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3kax h LEU 337 CO -0.01 1.09 0.20 -0.07 -0.34 0.00 0.00 178.44 179.30 3kax h LEU 338 N 1.02 0.91 -0.09 2.25 3.38 -1.09 -0.64 115.31 121.05 3kax h LEU 338 Ca 0.19 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3kax h LEU 338 Cb 0.50 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kax h LEU 338 CO 0.02 0.87 -0.35 -0.08 0.09 0.00 0.00 178.44 179.00 3kax h GLU 339 N 0.90 0.39 0.08 1.13 4.81 -0.95 0.19 114.58 121.13 3kax h GLU 339 Ca 0.20 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 3kax h GLU 339 Cb 0.29 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.74 3kax h GLU 339 CO -0.01 0.94 -0.69 0.93 -0.73 0.00 0.00 179.01 179.45 3kax h GLU 340 N -0.06 0.32 0.02 1.92 5.08 -0.58 -2.79 114.58 118.49 3kax h GLU 340 Ca -0.02 -0.46 -0.38 0.00 -1.00 0.00 0.00 59.36 57.50 3kax h GLU 340 Cb 0.99 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 3kax h GLU 340 CO 0.07 1.17 -2.17 1.17 -1.00 0.00 0.00 179.01 178.26 3kax n LYS 341 N -4.19 0.62 0.09 2.33 4.81 -0.27 -4.42 118.16 117.13 3kax n LYS 341 Ca -0.12 0.31 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 3kax n LYS 341 Cb 0.74 -1.59 0.35 0.00 0.02 0.00 0.00 35.03 34.56 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 1.62 -1.62 3.86 3.14 0.00 -0.83 -4.27 105.19 107.09 3kax n GLY 342 Ca -0.45 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.18 -3.95 -3.84 1.61 4.76 0.48 -4.81 118.16 110.23 3kax n LYS 343 Ca 0.05 0.49 -0.12 0.00 -2.87 0.00 0.00 58.31 55.86 3kax n LYS 343 Cb 0.43 -4.80 -0.11 0.00 -1.84 0.00 0.00 35.03 28.71 3kax n LYS 343 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3kax s ILE 344 N -3.83 0.05 -0.14 -0.18 2.07 -0.16 -1.91 121.20 117.09 3kax s ILE 344 Ca 0.02 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 3kax s ILE 344 Cb -0.01 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.20 3kax s ILE 344 CO 0.86 -0.25 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.81 3kax s ILE 345 N -0.90 1.94 0.44 2.00 1.01 0.07 -2.98 121.20 122.78 3kax s ILE 345 Ca -0.10 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.71 3kax s ILE 345 Cb -0.05 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3kax s ILE 345 CO 0.01 0.53 0.12 0.68 0.00 0.00 0.00 174.94 176.28 3kax s VAL 346 N 0.97 2.01 -0.30 2.92 -7.23 -1.26 -0.38 120.40 117.13 3kax s VAL 346 Ca -0.04 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 3kax s VAL 346 Cb -0.15 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3kax s VAL 346 CO -0.04 0.00 1.03 -0.70 -0.31 0.00 0.00 175.10 175.07 3kax s GLU 347 N -3.87 4.09 0.25 4.82 2.56 -0.90 -4.90 118.70 120.75 3kax s GLU 347 Ca 0.34 1.07 -0.30 0.00 0.00 0.00 0.00 54.97 56.08 3kax s GLU 347 Cb 0.05 -3.71 -0.09 0.00 2.00 0.00 0.00 34.13 32.37 3kax s GLU 347 CO 0.19 -0.81 1.01 -1.25 -0.56 0.00 0.00 175.26 173.84 3kax s PRO 348 N 3.46 4.75 0.22 4.30 0.04 -1.26 -0.48 135.00 146.03 3kax s PRO 348 Ca 0.43 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.36 3kax s PRO 348 Cb -0.13 -3.25 0.83 0.00 0.04 0.00 0.00 34.50 32.00 3kax s PRO 348 CO 0.13 0.36 1.77 0.41 0.04 0.00 0.00 177.00 179.71 3kax n GLY 349 N 1.42 -1.65 0.31 0.56 0.00 0.89 -4.25 105.19 102.47 3kax n GLY 349 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.53 0.00 1.61 3.07 -1.75 -0.70 114.58 117.34 3kax h GLU 350 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kax h GLU 350 Cb 0.68 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3kax h GLU 350 CO 0.00 0.35 0.00 0.36 -1.40 0.00 0.00 179.01 178.32 3kax n LYS 351 N -4.48 0.04 -0.01 2.33 2.85 -1.26 -2.49 118.16 115.15 3kax n LYS 351 Ca 0.03 0.26 0.14 0.00 -1.05 0.00 0.00 58.31 57.70 3kax n LYS 351 Cb 0.07 -1.56 0.70 0.00 -0.65 0.00 0.00 35.03 33.59 3kax n LYS 351 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kax n TYR 352 N -1.63 0.01 -2.61 5.58 4.01 -0.27 -4.61 117.16 117.65 3kax n TYR 352 Ca 0.04 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3kax n TYR 352 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.07 -1.16 3.69 2.72 0.00 -1.04 -1.00 105.19 109.47 3kax n GLY 353 Ca 0.21 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3kax n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kax s LEU 354 N 0.00 4.40 0.00 0.99 1.43 -1.26 -0.61 118.68 123.63 3kax s LEU 354 Ca 0.00 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 3kax s LEU 354 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3kax s LEU 354 CO 0.00 -1.02 0.00 0.61 0.23 0.00 0.00 176.35 176.17 3kax n GLY 355 N 4.27 2.15 0.11 -3.19 0.00 -1.26 -2.39 105.19 104.88 3kax n GLY 355 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.95 -0.92 3.75 -0.02 0.00 0.22 -4.80 105.19 101.47 3kax n GLY 356 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3kax n GLY 356 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kax n GLU 357 N -1.16 2.56 -2.35 1.61 4.71 -1.26 -1.81 120.64 122.96 3kax n GLU 357 Ca 0.07 0.90 -0.13 0.00 -0.01 0.00 0.00 57.16 57.99 3kax n GLU 357 Cb 0.35 -2.62 -0.01 0.00 -1.01 0.00 0.00 31.44 28.15 3kax n GLU 357 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3kax n GLU 358 N 1.02 -2.11 -4.34 3.49 1.02 -1.26 -4.90 120.64 113.56 3kax n GLU 358 Ca 0.04 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.59 3kax n GLU 358 Cb 0.37 -5.21 -0.08 0.00 -0.02 0.00 0.00 31.44 26.50 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 -2.60 2.59 0.08 -0.32 3.76 -0.75 -0.27 115.29 117.79 3kax s HIS 359 Ca 0.00 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 3kax s HIS 359 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 3kax s HIS 359 CO 0.00 0.64 -0.08 0.96 -0.85 0.00 0.00 174.74 175.41 3kax s ILE 360 N -2.37 0.75 -0.01 0.60 -4.36 -0.38 -0.08 121.20 115.35 3kax s ILE 360 Ca 0.31 -1.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.13 3kax s ILE 360 Cb -0.06 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 3kax s ILE 360 CO 0.19 -0.64 -0.17 -0.83 0.24 0.00 0.00 174.94 173.72 3kax s GLY 361 N -2.48 1.51 0.09 6.27 0.00 0.37 -0.31 107.32 112.77 3kax s GLY 361 Ca 0.04 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.76 3kax s GLY 361 CO -0.02 -0.90 -0.18 -0.26 0.00 0.00 0.00 173.10 171.74 3kax s ILE 362 N -0.79 1.51 -0.21 0.90 -4.36 -0.63 -2.12 121.20 115.50 3kax s ILE 362 Ca 0.13 -1.48 -0.21 0.00 -0.26 0.00 0.00 60.65 58.82 3kax s ILE 362 Cb -0.10 -1.41 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 3kax s ILE 362 CO 0.02 -0.13 0.64 0.21 0.24 0.00 0.00 174.94 175.92 3kax s ASN 363 N -1.89 6.68 0.00 4.36 3.84 -0.14 -0.55 114.94 127.24 3kax s ASN 363 Ca 0.04 0.83 0.18 0.00 0.21 0.00 0.00 52.86 54.12 3kax s ASN 363 Cb -0.10 -2.35 0.41 0.00 -0.55 0.00 0.00 41.25 38.66 3kax s ASN 363 CO 0.04 -0.30 1.33 2.30 -2.79 0.00 0.00 177.10 177.68 3kax n ILE 364 N 4.78 0.71 -1.75 -5.21 -5.35 0.09 -4.60 119.36 108.03 3kax n ILE 364 Ca -0.01 -0.86 -0.40 0.00 -0.27 0.00 0.00 62.75 61.22 3kax n ILE 364 Cb 0.49 0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 39.14 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 1.15 4.79 3.37 3.28 0.00 -1.22 -4.78 105.19 111.78 3kax n GLY 365 Ca 0.17 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 3kax n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kax n PRO 367 N -0.26 1.35 -0.33 0.00 -0.02 -1.26 -4.81 135.00 129.67 3kax n PRO 367 Ca -0.05 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3kax n PRO 367 Cb 0.63 -2.19 0.29 0.00 -0.02 0.00 0.00 33.50 32.21 3kax n PRO 367 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kax h ARG 368 N 1.30 0.67 -0.72 -0.52 9.65 -1.97 -1.60 114.38 121.18 3kax h ARG 368 Ca -0.47 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 3kax h ARG 368 Cb 1.33 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 3kax h ARG 368 CO 0.55 0.44 0.43 0.66 2.80 0.00 0.00 179.97 184.86 3kax h SER 369 N 0.69 0.87 -0.42 -3.80 4.64 -2.00 0.08 113.55 113.61 3kax h SER 369 Ca 0.54 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.73 3kax h SER 369 Cb 0.83 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3kax h SER 369 CO -0.39 0.67 -0.04 0.58 -0.87 0.00 0.00 176.83 176.78 3kax h VAL 370 N 1.00 1.27 -0.62 0.95 2.07 -1.66 -2.68 116.25 116.59 3kax h VAL 370 Ca 0.26 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 3kax h VAL 370 Cb -0.03 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kax h VAL 370 CO -0.05 0.37 0.03 0.25 0.02 0.00 0.00 177.57 178.19 3kax h LEU 371 N 0.59 1.04 -0.86 2.57 5.85 -1.02 -1.70 115.31 121.78 3kax h LEU 371 Ca 0.11 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3kax h LEU 371 Cb 0.54 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kax h LEU 371 CO 0.03 1.08 0.53 -0.08 -0.34 0.00 0.00 178.44 179.66 3kax h GLU 372 N 0.97 1.16 -0.26 1.25 4.81 -0.93 0.25 114.58 121.82 3kax h GLU 372 Ca 0.18 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3kax h GLU 372 Cb 0.53 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3kax h GLU 372 CO 0.03 0.80 0.02 1.49 -0.73 0.00 0.00 179.01 180.61 3kax h GLU 373 N 1.18 0.46 -0.25 1.92 4.57 -1.21 0.05 114.58 121.29 3kax h GLU 373 Ca 0.31 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3kax h GLU 373 Cb -0.07 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3kax h GLU 373 CO -0.06 0.60 -0.09 0.82 -1.18 0.00 0.00 179.01 179.11 3kax h ILE 374 N 0.25 0.69 -0.74 2.32 2.04 -0.94 -0.66 117.51 120.47 3kax h ILE 374 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3kax h ILE 374 Cb 0.39 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3kax h ILE 374 CO 0.01 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.44 3kax h LEU 375 N -0.04 0.97 -1.07 1.44 3.38 -0.80 -1.22 115.31 117.97 3kax h LEU 375 Ca 0.13 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kax h LEU 375 Cb 0.23 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3kax h LEU 375 CO -0.28 0.83 0.63 -1.13 0.09 0.00 0.00 178.44 178.58 3kax h ASN 376 N 1.04 1.05 -0.28 -0.43 -1.24 -0.41 -0.28 115.58 115.03 3kax h ASN 376 Ca 0.25 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 3kax h ASN 376 Cb 0.12 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3kax h ASN 376 CO -0.03 0.72 0.00 0.03 -1.29 0.00 0.00 177.43 176.86 3kax h ARG 377 N 1.22 0.49 -0.19 6.67 2.47 -0.43 -0.80 114.38 123.81 3kax h ARG 377 Ca 0.38 -0.16 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 3kax h ARG 377 Cb -0.01 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3kax h ARG 377 CO -0.11 0.65 0.11 -0.07 0.56 0.00 0.00 179.97 181.11 3kax h LEU 378 N 0.28 0.18 -0.44 3.04 3.38 -0.99 0.14 115.31 120.90 3kax h LEU 378 Ca 0.08 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3kax h LEU 378 Cb 0.42 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 3kax h LEU 378 CO 0.01 0.14 -0.06 -0.09 0.09 0.00 0.00 178.44 178.53 3kax h ARG 379 N 0.23 0.04 -0.56 1.13 2.43 -0.94 -2.36 114.38 114.36 3kax h ARG 379 Ca 0.07 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3kax h ARG 379 Cb -0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kax h ARG 379 CO -0.03 0.03 0.01 1.25 -1.51 0.00 0.00 179.97 179.71 3kax h HIS 380 N 0.05 1.02 -0.52 2.20 2.76 -0.82 -2.20 115.15 117.63 3kax h HIS 380 Ca 0.21 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3kax h HIS 380 Cb 0.32 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3kax h HIS 380 CO -0.34 0.91 0.28 1.15 -1.30 0.00 0.00 177.93 178.64 3kax h THR 381 N 0.88 0.99 -0.63 6.26 2.02 -0.49 -2.95 112.91 118.99 3kax h THR 381 Ca 0.16 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3kax h THR 381 Cb 0.50 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3kax h THR 381 CO 0.02 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.50 3kax n PHE 382 N -4.85 0.83 0.92 3.16 3.72 -0.93 -4.90 117.46 115.41 3kax n PHE 382 Ca 0.04 -0.44 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 3kax n PHE 382 Cb 0.12 -0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.09 3kax n PHE 382 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58