#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kox n GLN 6 N 0.00 0.00 -1.86 1.96 7.27 -1.26 -5.13 117.38 118.36 3kox n GLN 6 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3kox n GLN 6 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3kox n GLN 6 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3kox n LEU 7 N 0.00 -5.10 -4.39 1.69 0.00 -1.26 -4.99 117.00 102.96 3kox n LEU 7 Ca 0.00 1.97 -0.32 0.00 0.00 0.00 0.00 56.01 57.66 3kox n LEU 7 Cb 0.00 -2.52 -0.14 0.00 0.00 0.00 0.00 43.42 40.76 3kox n LEU 7 CO 0.00 -1.87 -0.48 -0.13 0.00 0.00 0.00 177.39 174.91 3kox s ARG 8 N -1.12 2.81 0.58 1.96 0.52 -1.26 -5.02 118.95 117.43 3kox s ARG 8 Ca 0.00 -0.75 0.36 0.00 -0.52 0.00 0.00 55.73 54.82 3kox s ARG 8 Cb 0.00 -2.41 1.78 0.00 0.52 0.00 0.00 34.95 34.84 3kox s ARG 8 CO 0.00 0.42 2.16 -0.39 0.02 0.00 0.00 175.30 177.51 3kox h VAL 9 N 4.89 0.19 -0.11 3.52 -1.51 -2.02 -0.66 116.25 120.55 3kox h VAL 9 Ca -0.36 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3kox h VAL 9 Cb 1.18 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3kox h VAL 9 CO 0.51 0.04 0.00 -0.46 -1.23 0.00 0.00 177.57 176.43 3kox n ASN 10 N -3.27 3.07 -4.70 4.19 6.94 -1.26 -4.93 115.26 115.29 3kox n ASN 10 Ca -0.01 -1.98 -0.35 0.00 -0.02 0.00 0.00 54.58 52.22 3kox n ASN 10 Cb 0.20 -0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.47 3kox n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kox s GLU 11 N -1.84 3.53 0.52 -3.83 2.02 -0.26 -5.08 118.70 113.76 3kox s GLU 11 Ca 0.30 -0.32 -0.22 0.00 0.02 0.00 0.00 54.97 54.75 3kox s GLU 11 Cb 0.20 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 3kox s GLU 11 CO 0.30 0.53 1.32 0.15 0.02 0.00 0.00 175.26 177.58 3kox s LYS 12 N -0.36 3.31 0.16 1.61 1.02 -1.26 -4.70 119.74 119.52 3kox s LYS 12 Ca 0.09 2.16 -0.32 0.00 0.02 0.00 0.00 55.97 57.92 3kox s LYS 12 Cb -0.12 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.75 3kox s LYS 12 CO 0.02 -1.03 1.76 -0.11 -0.92 0.00 0.00 175.35 175.06 3kox n LEU 13 N -0.85 3.90 -4.40 3.17 0.00 -1.26 -4.92 117.00 112.64 3kox n LEU 13 Ca 0.09 1.03 -0.44 0.00 0.00 0.00 0.00 56.01 56.69 3kox n LEU 13 Cb 0.45 -1.54 -0.04 0.00 0.00 0.00 0.00 43.42 42.29 3kox n LEU 13 CO 0.52 0.12 0.54 -0.62 0.00 0.00 0.00 177.39 177.95 3kox s ASP 14 N 1.82 6.22 0.08 1.96 -1.08 -1.26 -4.91 116.67 119.49 3kox s ASP 14 Ca 0.79 -1.37 -0.16 0.00 -0.52 0.00 0.00 52.55 51.28 3kox s ASP 14 Cb -0.52 -2.34 -0.11 0.00 -1.46 0.00 0.00 42.92 38.49 3kox s ASP 14 CO 0.35 -1.20 1.39 -0.37 0.52 0.00 0.00 175.17 175.87 3kox h VAL 15 N 5.91 1.32 -0.23 1.11 -1.51 -1.96 -1.86 116.25 119.02 3kox h VAL 15 Ca -0.26 -1.43 0.03 0.00 -1.23 0.00 0.00 66.70 63.81 3kox h VAL 15 Cb 1.08 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.90 3kox h VAL 15 CO 1.12 0.45 0.05 -0.33 -1.23 0.00 0.00 177.57 177.63 3kox h GLU 16 N 0.30 0.14 -0.90 5.19 5.08 -1.98 0.33 114.58 122.74 3kox h GLU 16 Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3kox h GLU 16 Cb 0.82 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3kox h GLU 16 CO 0.06 0.09 0.59 -0.97 -1.00 0.00 0.00 179.01 177.79 3kox h ASN 17 N 0.15 1.00 -0.96 1.42 -1.24 -1.95 -2.30 115.58 111.71 3kox h ASN 17 Ca 0.11 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3kox h ASN 17 Cb 0.10 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 38.86 3kox h ASN 17 CO -0.13 0.71 0.61 0.40 -1.29 0.00 0.00 177.43 177.72 3kox h ILE 18 N 1.17 1.26 0.00 2.57 2.04 0.20 -2.38 117.51 122.37 3kox h ILE 18 Ca 0.34 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3kox h ILE 18 Cb -0.06 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 35.89 3kox h ILE 18 CO -0.09 0.26 0.00 -0.07 0.00 0.00 0.00 178.15 178.25 3kox h LEU 19 N 1.31 0.00 -9.66 1.44 3.38 0.04 -3.45 115.31 108.37 3kox h LEU 19 Ca 0.35 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.81 3kox h LEU 19 Cb -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kox h LEU 19 CO -0.07 0.00 0.38 -0.54 0.09 0.00 0.00 178.44 178.30 3kox s LYS 20 N -3.39 4.75 -1.02 1.13 1.02 -0.90 -4.14 119.74 117.19 3kox s LYS 20 Ca 0.03 1.52 -0.03 0.00 0.02 0.00 0.00 55.97 57.52 3kox s LYS 20 Cb 0.09 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 3kox s LYS 20 CO 0.41 0.32 0.35 -0.25 -0.92 0.00 0.00 175.35 175.26 3kox n ASP 21 N 2.14 -4.48 0.08 2.83 9.92 -1.26 -4.92 116.55 120.86 3kox n ASP 21 Ca 0.00 -0.17 0.01 0.00 -0.53 0.00 0.00 54.79 54.11 3kox n ASP 21 Cb 0.48 -3.38 0.34 0.00 -0.64 0.00 0.00 41.12 37.91 3kox n ASP 21 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kox h LEU 22 N -0.81 0.31 -0.51 0.64 3.38 -1.87 -1.20 115.31 115.25 3kox h LEU 22 Ca -0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3kox h LEU 22 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3kox h LEU 22 CO 0.37 0.48 0.05 -0.90 0.09 0.00 0.00 178.44 178.53 3kox n ASP 23 N -4.24 0.20 -0.00 -0.43 5.75 -1.26 -1.20 116.55 115.37 3kox n ASP 23 Ca -0.00 0.56 0.09 0.00 -0.01 0.00 0.00 54.79 55.43 3kox n ASP 23 Cb 0.29 -0.58 -0.11 0.00 -1.03 0.00 0.00 41.12 39.70 3kox n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kox n LYS 24 N -1.75 0.69 -2.49 0.11 4.76 -0.46 -5.01 118.16 114.02 3kox n LYS 24 Ca -0.01 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3kox n LYS 24 Cb 0.06 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3kox n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kox s TYR 25 N -2.85 3.50 0.23 2.13 5.04 -0.34 -5.06 117.35 120.00 3kox s TYR 25 Ca 0.06 1.41 0.10 0.00 -2.44 0.00 0.00 57.07 56.20 3kox s TYR 25 Cb 0.14 -3.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.07 3kox s TYR 25 CO 0.79 -0.94 -0.10 0.99 -1.34 0.00 0.00 175.55 174.94 3kox s THR 26 N 0.96 3.05 0.36 4.34 2.01 -1.26 -5.07 115.64 120.03 3kox s THR 26 Ca 0.57 -1.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.35 3kox s THR 26 Cb -0.28 -2.57 -0.10 0.00 0.01 0.00 0.00 72.50 69.57 3kox s THR 26 CO 0.29 -0.26 1.34 -2.84 -0.69 0.00 0.00 174.62 172.46 3kox s PRO 27 N -3.24 4.18 0.14 4.92 0.02 -1.26 -4.92 135.00 134.85 3kox s PRO 27 Ca 0.28 2.26 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 3kox s PRO 27 Cb -0.07 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 3kox s PRO 27 CO 0.16 -0.35 1.43 0.87 -0.33 0.00 0.00 177.00 178.79 3kox h LYS 28 N 3.08 0.82 -5.50 5.54 1.57 -1.97 -3.47 116.57 116.65 3kox h LYS 28 Ca -0.49 -0.51 -0.47 0.00 -1.87 0.00 0.00 60.65 57.31 3kox h LYS 28 Cb 1.24 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 3kox h LYS 28 CO 0.64 1.15 -0.70 1.03 -0.57 0.00 0.00 179.45 181.00 3kox s ARG 29 N -4.13 1.44 0.05 3.15 0.52 -1.26 -5.16 118.95 113.57 3kox s ARG 29 Ca -0.10 -1.70 0.02 0.00 -0.52 0.00 0.00 55.73 53.43 3kox s ARG 29 Cb 0.10 -1.10 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 3kox s ARG 29 CO 0.88 0.09 -0.07 1.03 0.02 0.00 0.00 175.30 177.25 3kox s ARG 30 N -3.70 0.58 0.03 3.54 0.52 -1.26 -4.70 118.95 113.96 3kox s ARG 30 Ca 0.26 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3kox s ARG 30 Cb 0.02 -0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.23 3kox s ARG 30 CO 0.10 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.86 3kox n GLY 31 N 1.18 -3.46 3.82 -3.53 0.00 -1.23 -5.00 105.19 96.98 3kox n GLY 31 Ca -0.21 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3kox n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kox s TRP 32 N -0.91 3.39 -0.10 1.61 -0.11 -0.77 -4.64 118.94 117.41 3kox s TRP 32 Ca 0.00 0.28 0.03 0.00 1.22 0.00 0.00 56.10 57.63 3kox s TRP 32 Cb 0.00 -1.79 0.01 0.00 -1.50 0.00 0.00 33.47 30.19 3kox s TRP 32 CO 0.00 0.60 -0.18 0.95 -4.62 0.00 0.00 176.95 173.70 3kox s THR 33 N -1.21 1.62 0.61 5.86 -4.23 -1.26 -5.04 115.64 111.99 3kox s THR 33 Ca 0.23 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.93 3kox s THR 33 Cb -0.12 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.28 3kox s THR 33 CO 0.14 0.46 0.94 0.26 -0.54 0.00 0.00 174.62 175.89 3kox s TRP 34 N 0.71 3.33 0.33 3.99 0.52 -1.26 -4.92 118.94 121.64 3kox s TRP 34 Ca -0.12 0.80 -0.26 0.00 0.02 0.00 0.00 56.10 56.54 3kox s TRP 34 Cb -0.16 -2.77 -0.10 0.00 -1.15 0.00 0.00 33.47 29.29 3kox s TRP 34 CO 0.03 -0.84 0.96 1.03 0.02 0.00 0.00 176.95 178.14 3kox s ARG 35 N -5.07 4.55 -0.24 4.98 0.52 -1.26 -5.04 118.95 117.40 3kox s ARG 35 Ca 0.54 1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 56.94 3kox s ARG 35 Cb -0.11 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 3kox s ARG 35 CO 0.47 0.24 0.44 -0.65 0.02 0.00 0.00 175.30 175.82 3kox s GLN 36 N -2.08 4.10 0.37 3.54 -1.52 -1.26 -4.98 119.66 117.82 3kox s GLN 36 Ca 0.51 0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.85 3kox s GLN 36 Cb -0.19 -3.60 -0.11 0.00 -0.22 0.00 0.00 33.01 28.88 3kox s GLN 36 CO 0.24 -0.20 1.40 -2.30 -0.25 0.00 0.00 175.29 174.18 3kox n PRO 37 N 5.03 2.42 -3.90 2.91 -0.02 -1.26 -0.90 135.00 139.28 3kox n PRO 37 Ca -0.07 0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 3kox n PRO 37 Cb 0.51 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 3kox n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kox s ALA 38 N -1.11 3.54 -0.04 3.55 0.00 -0.85 -4.66 121.76 122.18 3kox s ALA 38 Ca 0.54 -3.48 -0.39 0.00 0.00 0.00 0.00 51.96 48.63 3kox s ALA 38 Cb -0.51 -2.24 -0.18 0.00 0.00 0.00 0.00 23.12 20.18 3kox s ALA 38 CO 0.63 -2.06 1.30 -1.91 0.00 0.00 0.00 175.76 173.72 3kox n GLU 39 N 2.75 0.59 -4.05 0.00 4.07 -1.26 -2.77 120.64 119.98 3kox n GLU 39 Ca 0.11 0.21 -0.31 0.00 -0.06 0.00 0.00 57.16 57.11 3kox n GLU 39 Cb 0.34 -1.79 -0.01 0.00 -0.06 0.00 0.00 31.44 29.92 3kox n GLU 39 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kox n ASN 40 N 2.55 -2.97 -4.73 4.31 3.02 -1.11 -4.86 115.26 111.47 3kox n ASN 40 Ca 0.21 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 3kox n ASN 40 Cb 0.12 -3.23 -0.04 0.00 -0.61 0.00 0.00 39.78 36.02 3kox n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kox s LEU 41 N -7.18 4.45 -0.16 3.41 2.96 -0.96 -4.64 118.68 116.57 3kox s LEU 41 Ca 0.52 2.09 -0.07 0.00 -0.22 0.00 0.00 54.13 56.44 3kox s LEU 41 Cb -0.27 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 3kox s LEU 41 CO 0.88 -0.30 0.07 -1.58 -1.32 0.00 0.00 176.35 174.10 3kox s GLN 42 N -0.01 3.82 -0.03 1.98 2.00 -1.26 -0.10 119.66 126.04 3kox s GLN 42 Ca 0.52 -0.32 -0.01 0.00 -2.00 0.00 0.00 55.36 53.55 3kox s GLN 42 Cb -0.30 -3.18 0.03 0.00 0.80 0.00 0.00 33.01 30.36 3kox s GLN 42 CO 0.34 0.38 0.07 -1.64 -0.50 0.00 0.00 175.29 173.95 3kox s MET 43 N 0.06 0.03 0.52 1.67 -1.94 -0.43 -5.00 119.30 114.21 3kox s MET 43 Ca 0.06 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 3kox s MET 43 Cb -0.12 -0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.58 3kox s MET 43 CO 0.01 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.31 3kox n GLY 44 N 3.85 2.17 0.00 -0.03 0.00 -1.26 -1.52 105.19 108.39 3kox n GLY 44 Ca -0.23 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.83 3kox n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kox n PRO 45 N 14.00 0.99 -4.42 1.61 -0.04 -1.26 -4.89 135.00 140.99 3kox n PRO 45 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 3kox n PRO 45 Cb 0.00 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 3kox n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kox s PHE 46 N -2.00 2.33 -0.08 0.54 0.08 -0.58 -5.13 117.98 113.14 3kox s PHE 46 Ca 0.42 -0.34 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 3kox s PHE 46 Cb 0.19 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3kox s PHE 46 CO 0.32 0.53 -0.05 0.42 -0.10 0.00 0.00 175.22 176.34 3kox s ILE 47 N -1.78 3.86 -0.08 0.64 1.01 -1.26 -1.31 121.20 122.29 3kox s ILE 47 Ca 0.22 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3kox s ILE 47 Cb -0.08 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 3kox s ILE 47 CO 0.11 0.59 -0.15 -0.31 0.00 0.00 0.00 174.94 175.18 3kox s TYR 48 N -0.68 2.71 -0.10 3.97 2.02 0.85 -4.94 117.35 121.17 3kox s TYR 48 Ca 0.10 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3kox s TYR 48 Cb -0.11 -1.70 -0.24 0.00 -0.40 0.00 0.00 41.96 39.50 3kox s TYR 48 CO 0.02 0.00 0.44 1.63 -1.57 0.00 0.00 175.55 176.07 3kox n LYS 49 N 2.81 0.70 -1.56 -0.62 4.01 -1.26 -2.26 118.16 119.98 3kox n LYS 49 Ca -0.18 0.26 -0.16 0.00 -0.51 0.00 0.00 58.31 57.72 3kox n LYS 49 Cb 0.52 -1.72 0.08 0.00 -0.51 0.00 0.00 35.03 33.40 3kox n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kox n ASP 50 N -3.26 4.09 -4.89 4.39 8.00 -1.26 -4.47 116.55 119.15 3kox n ASP 50 Ca -0.27 -3.80 -0.29 0.00 0.71 0.00 0.00 54.79 51.15 3kox n ASP 50 Cb 1.05 -0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.73 3kox n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kox s ALA 51 N -3.50 3.24 0.53 2.24 0.00 -1.26 -3.29 121.76 119.73 3kox s ALA 51 Ca 0.48 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.08 3kox s ALA 51 Cb 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3kox s ALA 51 CO 0.01 -0.59 0.05 -1.54 0.00 0.00 0.00 175.76 173.69 3kox s SER 52 N -4.18 4.22 0.33 0.00 1.04 0.23 -2.00 113.70 113.34 3kox s SER 52 Ca 0.52 -1.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.01 3kox s SER 52 Cb -0.11 0.64 -0.11 0.00 0.10 0.00 0.00 66.02 66.54 3kox s SER 52 CO 0.49 -0.94 1.57 -0.89 0.98 0.00 0.00 173.24 174.45 3kox s THR 53 N -2.89 2.00 0.91 2.02 2.01 -0.08 -4.44 115.64 115.18 3kox s THR 53 Ca 0.05 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 3kox s THR 53 Cb 0.00 -3.00 0.14 0.00 0.01 0.00 0.00 72.50 69.65 3kox s THR 53 CO 0.03 0.00 1.09 -2.84 -0.69 0.00 0.00 174.62 172.22 3kox s PRO 54 N -1.06 1.11 0.21 4.92 0.02 -1.26 -4.78 135.00 134.17 3kox s PRO 54 Ca 0.60 0.98 -0.14 0.00 0.02 0.00 0.00 61.00 62.46 3kox s PRO 54 Cb -0.48 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.19 3kox s PRO 54 CO 0.54 -2.39 0.61 -0.51 -0.33 0.00 0.00 177.00 174.92 3kox s LEU 55 N -6.35 4.25 0.21 -5.54 1.43 -1.26 -4.97 118.68 106.45 3kox s LEU 55 Ca 0.64 1.13 0.05 0.00 -1.03 0.00 0.00 54.13 54.92 3kox s LEU 55 Cb -0.19 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.61 3kox s LEU 55 CO 0.58 -0.01 1.49 -0.33 0.23 0.00 0.00 176.35 178.31 3kox h GLU 56 N 3.05 0.17 -3.68 1.70 5.08 -1.55 -3.44 114.58 115.92 3kox h GLU 56 Ca -0.48 -0.15 -0.36 0.00 -1.00 0.00 0.00 59.36 57.37 3kox h GLU 56 Cb 1.18 0.03 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 3kox h GLU 56 CO 0.66 0.82 -0.75 -0.80 -1.00 0.00 0.00 179.01 177.94 3kox s ASN 57 N -6.89 0.73 0.26 1.42 0.01 -1.14 -5.02 114.94 104.30 3kox s ASN 57 Ca -0.03 -0.03 -0.22 0.00 -0.71 0.00 0.00 52.86 51.88 3kox s ASN 57 Cb 0.11 -0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.55 3kox s ASN 57 CO 0.80 -0.13 0.77 -0.94 -1.51 0.00 0.00 177.10 176.09 3kox s SER 58 N 1.32 -0.24 -0.25 -1.22 1.04 -1.26 -4.57 113.70 108.51 3kox s SER 58 Ca -0.06 -0.57 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 3kox s SER 58 Cb -0.13 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3kox s SER 58 CO -0.02 -1.26 0.14 -0.69 0.98 0.00 0.00 173.24 172.39 3kox s VAL 59 N -3.78 5.08 0.83 5.02 1.01 -0.82 -5.03 120.40 122.71 3kox s VAL 59 Ca 0.11 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 3kox s VAL 59 Cb -0.05 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 33.04 3kox s VAL 59 CO 0.06 0.32 1.15 0.00 0.00 0.00 0.00 175.10 176.64 3kox s ALA 60 N 1.35 2.35 0.78 5.51 0.00 -1.26 -4.68 121.76 125.81 3kox s ALA 60 Ca 0.07 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 3kox s ALA 60 Cb -0.15 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.04 3kox s ALA 60 CO 0.06 -1.84 1.15 -0.51 0.00 0.00 0.00 175.76 174.62 3kox s LEU 61 N -5.73 3.14 0.13 0.00 1.43 -1.26 -4.90 118.68 111.49 3kox s LEU 61 Ca 0.62 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 55.58 3kox s LEU 61 Cb -0.12 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 3kox s LEU 61 CO 0.51 -2.34 1.59 -0.65 0.23 0.00 0.00 176.35 175.69 3kox h PRO 62 N -0.85 -0.48 0.00 1.29 0.11 -1.99 -0.10 132.00 129.98 3kox h PRO 62 Ca -0.45 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kox h PRO 62 Cb 1.27 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3kox h PRO 62 CO 0.48 -0.32 0.00 0.43 -0.21 0.00 0.00 178.00 178.38 3kox n SER 63 N -5.43 0.00 0.30 -2.05 7.64 -1.26 -2.32 113.62 110.49 3kox n SER 63 Ca -0.05 -0.02 0.19 0.00 1.01 0.00 0.00 58.87 60.00 3kox n SER 63 Cb 0.35 -0.16 0.94 0.00 -1.01 0.00 0.00 64.21 64.33 3kox n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kox h ALA 64 N 2.45 1.09 -0.17 -0.43 0.00 -1.32 -2.79 119.26 118.10 3kox h ALA 64 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kox h ALA 64 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kox h ALA 64 CO 0.00 0.04 0.10 1.57 0.00 0.00 0.00 179.25 180.95 3kox h LYS 65 N 0.00 0.22 0.00 0.00 2.10 -1.63 0.30 116.57 117.56 3kox h LYS 65 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3kox h LYS 65 Cb 0.23 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3kox h LYS 65 CO 0.00 0.16 0.00 1.88 -2.00 0.00 0.00 179.45 179.49 3kox h TYR 66 N 0.23 0.00 -0.37 0.07 0.05 -1.77 -3.21 116.97 111.97 3kox h TYR 66 Ca 0.06 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.59 3kox h TYR 66 Cb -0.00 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.56 3kox h TYR 66 CO 0.00 0.00 -0.47 1.19 -1.05 0.00 0.00 178.16 177.83 3kox n PHE 67 N -2.81 1.29 -2.22 4.88 3.72 -0.48 -4.93 117.46 116.92 3kox n PHE 67 Ca 0.01 -1.83 -0.08 0.00 -0.05 0.00 0.00 57.45 55.50 3kox n PHE 67 Cb 0.27 -0.38 -0.00 0.00 -0.94 0.00 0.00 39.48 38.43 3kox n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kox n GLY 68 N -0.98 0.08 3.72 1.37 0.00 -1.20 -3.94 105.19 104.25 3kox n GLY 68 Ca 0.32 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3kox n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kox n ASP 69 N 0.45 -3.65 -4.77 1.61 8.00 0.93 -4.94 116.55 114.17 3kox n ASP 69 Ca -0.08 -0.64 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 3kox n ASP 69 Cb 0.57 -3.00 0.04 0.00 -0.02 0.00 0.00 41.12 38.70 3kox n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kox s ILE 70 N -3.07 3.25 -0.39 0.53 -4.36 -1.25 -4.82 121.20 111.08 3kox s ILE 70 Ca 0.55 0.62 0.09 0.00 -0.26 0.00 0.00 60.65 61.66 3kox s ILE 70 Cb -0.29 -3.16 0.28 0.00 1.25 0.00 0.00 42.46 40.54 3kox s ILE 70 CO 0.68 -0.32 0.60 -0.67 0.24 0.00 0.00 174.94 175.46 3kox n ASP 71 N -2.15 0.53 -4.76 4.36 2.03 -1.26 -4.59 116.55 110.71 3kox n ASP 71 Ca 0.11 -2.82 -0.39 0.00 0.52 0.00 0.00 54.79 52.20 3kox n ASP 71 Cb 0.52 -0.63 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 3kox n ASP 71 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3kox s PRO 72 N -1.64 3.39 -0.09 -0.67 0.04 -1.26 -4.70 135.00 130.07 3kox s PRO 72 Ca 0.37 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.68 3kox s PRO 72 Cb 0.23 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kox s PRO 72 CO -0.10 -0.99 -0.24 -0.65 0.04 0.00 0.00 177.00 175.06 3kox s GLN 73 N -2.73 2.95 0.92 4.56 -1.52 -1.26 -4.98 119.66 117.60 3kox s GLN 73 Ca 0.67 -0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 53.07 3kox s GLN 73 Cb -0.40 -2.28 0.20 0.00 -0.22 0.00 0.00 33.01 30.31 3kox s GLN 73 CO 0.49 0.23 1.26 -1.25 -0.25 0.00 0.00 175.29 175.76 3kox s PRO 74 N 0.23 0.75 0.01 2.91 0.04 -1.26 0.76 135.00 138.42 3kox s PRO 74 Ca -0.15 -0.64 -0.25 0.00 0.04 0.00 0.00 61.00 59.99 3kox s PRO 74 Cb -0.17 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 3kox s PRO 74 CO 0.08 -2.28 1.07 -0.07 0.04 0.00 0.00 177.00 175.85 3kox h LEU 75 N -1.44 -0.68-10.03 -3.56 3.38 -1.85 -3.36 115.31 97.77 3kox h LEU 75 Ca -0.42 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 56.99 3kox h LEU 75 Cb 1.23 0.17 0.12 0.00 0.09 0.00 0.00 40.66 42.28 3kox h LEU 75 CO 0.36 -0.29 0.59 -2.16 0.09 0.00 0.00 178.44 177.02 3kox s PRO 76 N -4.51 3.32 0.38 1.13 0.04 -1.26 -4.57 135.00 129.53 3kox s PRO 76 Ca -0.13 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 3kox s PRO 76 Cb 0.01 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 3kox s PRO 76 CO 0.43 -1.01 1.47 0.08 0.04 0.00 0.00 177.00 178.01 3kox s VAL 77 N -1.35 2.08 -0.07 -0.36 1.01 -1.02 -4.78 120.40 115.90 3kox s VAL 77 Ca 0.69 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.76 3kox s VAL 77 Cb -0.38 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3kox s VAL 77 CO 0.45 0.02 -0.11 -0.63 0.00 0.00 0.00 175.10 174.83 3kox s ILE 78 N -1.13 3.29 0.16 2.22 -1.09 -1.26 -0.51 121.20 122.87 3kox s ILE 78 Ca 0.53 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 58.39 3kox s ILE 78 Cb -0.46 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3kox s ILE 78 CO 0.62 0.58 0.02 -0.89 -1.23 0.00 0.00 174.94 174.04 3kox s THR 79 N -0.53 3.90 0.04 2.92 2.01 -0.64 -1.48 115.64 121.85 3kox s THR 79 Ca 0.07 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.77 3kox s THR 79 Cb -0.12 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3kox s THR 79 CO 0.02 -0.07 -0.02 0.28 -0.69 0.00 0.00 174.62 174.13 3kox s THR 80 N -1.67 0.17 -0.30 -0.82 -1.32 -1.02 -2.66 115.64 108.02 3kox s THR 80 Ca 0.28 -1.37 -0.05 0.00 -1.21 0.00 0.00 61.69 59.34 3kox s THR 80 Cb -0.10 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 69.99 3kox s THR 80 CO 0.19 -0.75 0.06 -1.61 -2.21 0.00 0.00 174.62 170.30 3kox s GLU 81 N -2.76 2.80 -0.19 7.08 2.02 -1.26 -2.29 118.70 124.10 3kox s GLU 81 Ca -0.04 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 53.92 3kox s GLU 81 Cb -0.00 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.94 3kox s GLU 81 CO -0.06 -0.54 -0.13 0.42 0.02 0.00 0.00 175.26 174.97 3kox s ILE 82 N 1.41 1.79 -0.38 -1.63 1.01 -0.89 -4.99 121.20 117.52 3kox s ILE 82 Ca -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 3kox s ILE 82 Cb -0.18 -1.77 0.20 0.00 0.01 0.00 0.00 42.46 40.72 3kox s ILE 82 CO 0.01 0.29 1.00 0.00 0.00 0.00 0.00 174.94 176.24 3kox s ALA 83 N 1.35 -3.91 -0.34 9.38 0.00 -1.26 -4.33 121.76 122.65 3kox s ALA 83 Ca 0.00 0.45 0.23 0.00 0.00 0.00 0.00 51.96 52.64 3kox s ALA 83 Cb -0.15 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.13 3kox s ALA 83 CO -0.09 -2.45 1.13 0.66 0.00 0.00 0.00 175.76 175.00 3kox h SER 84 N 4.61 0.00 0.00 0.00 4.64 -1.92 -3.38 113.55 117.50 3kox h SER 84 Ca 0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kox h SER 84 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kox h SER 84 CO -0.07 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 3kox n GLY 85 N 1.22 2.65 2.83 -0.77 0.00 -1.21 -4.68 105.19 105.22 3kox n GLY 85 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3kox n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kox s ARG 86 N -0.40 0.97 0.56 1.61 0.52 -1.26 -1.75 118.95 119.19 3kox s ARG 86 Ca 0.00 -1.31 0.24 0.00 -0.52 0.00 0.00 55.73 54.14 3kox s ARG 86 Cb 0.00 -2.38 1.57 0.00 0.52 0.00 0.00 34.95 34.66 3kox s ARG 86 CO 0.00 -0.96 2.19 0.27 0.02 0.00 0.00 175.30 176.81 3kox h PHE 87 N 7.94 0.00 -0.19 -0.53 -5.15 -1.95 -2.28 116.94 114.77 3kox h PHE 87 Ca -0.11 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.51 3kox h PHE 87 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.18 3kox h PHE 87 CO 0.39 0.00 -0.52 1.05 -2.00 0.00 0.00 178.31 177.23 3kox h GLU 88 N 0.00 0.56 -0.56 6.09 9.09 -1.99 -2.16 114.58 125.60 3kox h GLU 88 Ca 0.02 -0.34 -0.11 0.00 0.05 0.00 0.00 59.36 58.98 3kox h GLU 88 Cb 0.11 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.22 3kox h GLU 88 CO -0.00 0.94 -0.09 -0.44 0.05 0.00 0.00 179.01 179.48 3kox h ASP 89 N 0.43 1.05 0.49 3.06 3.32 -1.79 -3.30 116.42 119.69 3kox h ASP 89 Ca 0.01 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3kox h ASP 89 Cb 1.06 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 3kox h ASP 89 CO 0.10 1.15 -0.13 0.44 -1.72 0.00 0.00 179.24 179.08 3kox h ASP 90 N 0.94 0.00 -0.91 6.45 3.32 -0.89 -2.23 116.42 123.09 3kox h ASP 90 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3kox h ASP 90 Cb 0.66 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 3kox h ASP 90 CO 0.05 0.13 0.51 0.40 -1.72 0.00 0.00 179.24 178.61 3kox h ILE 91 N 0.00 1.26 -0.49 0.35 2.04 -1.48 -1.50 117.51 117.69 3kox h ILE 91 Ca -0.00 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3kox h ILE 91 Cb 0.41 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3kox h ILE 91 CO 0.02 0.29 0.12 0.03 0.00 0.00 0.00 178.15 178.60 3kox h ARG 92 N 1.27 0.78 -0.69 2.37 3.08 -1.60 -1.24 114.38 118.35 3kox h ARG 92 Ca 0.32 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3kox h ARG 92 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3kox h ARG 92 CO -0.05 0.76 0.46 -0.09 -1.07 0.00 0.00 179.97 179.97 3kox h ARG 93 N 0.66 0.81 -0.90 0.04 2.43 -1.53 -2.31 114.38 113.58 3kox h ARG 93 Ca 0.15 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3kox h ARG 93 Cb 0.33 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 3kox h ARG 93 CO 0.00 0.53 0.60 0.52 -1.51 0.00 0.00 179.97 180.11 3kox h MET 94 N 0.83 1.17 -0.46 0.20 2.86 -0.19 -0.84 114.93 118.51 3kox h MET 94 Ca 0.28 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3kox h MET 94 Cb 0.07 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3kox h MET 94 CO -0.08 0.78 0.22 -0.09 1.06 0.00 0.00 176.91 178.80 3kox h ARG 95 N 1.21 0.66 -0.09 1.72 2.43 -0.84 -0.89 114.38 118.58 3kox h ARG 95 Ca 0.33 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3kox h ARG 95 Cb -0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3kox h ARG 95 CO -0.08 0.57 0.03 0.52 -1.51 0.00 0.00 179.97 179.50 3kox h MET 96 N 0.60 0.07 -0.87 0.20 2.86 -1.32 -2.38 114.93 114.10 3kox h MET 96 Ca 0.16 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3kox h MET 96 Cb 0.12 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3kox h MET 96 CO -0.02 0.05 0.48 0.00 1.06 0.00 0.00 176.91 178.48 3kox h ALA 97 N 1.06 1.20 -0.60 6.32 0.00 -0.92 -2.23 119.26 124.09 3kox h ALA 97 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3kox h ALA 97 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3kox h ALA 97 CO -0.04 0.64 0.13 0.00 0.00 0.00 0.00 179.25 179.99 3kox h ALA 98 N 1.31 0.80 0.00 0.00 0.00 -0.83 -1.33 119.26 119.20 3kox h ALA 98 Ca 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kox h ALA 98 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kox h ALA 98 CO -0.05 0.52 -0.14 -1.49 0.00 0.00 0.00 179.25 178.09 3kox h TRP 99 N 0.88 0.00 -0.45 0.00 4.06 -0.99 -1.29 115.95 118.16 3kox h TRP 99 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 3kox h TRP 99 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3kox h TRP 99 CO 0.03 0.14 0.00 0.72 -3.56 0.00 0.00 178.44 175.77 3kox n HIS 100 N -3.68 1.13 0.00 0.49 8.25 -0.55 -1.95 115.22 118.91 3kox n HIS 100 Ca -0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3kox n HIS 100 Cb 0.26 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3kox n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kox n GLY 101 N 0.80 1.44 3.65 -1.41 0.00 -0.49 -4.50 105.19 104.69 3kox n GLY 101 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kox n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox s ALA 102 N -2.29 3.50 -0.11 4.61 0.00 -0.92 -4.74 121.76 121.81 3kox s ALA 102 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 51.96 53.31 3kox s ALA 102 Cb 0.00 -3.85 0.25 0.00 0.00 0.00 0.00 23.12 19.51 3kox s ALA 102 CO 0.00 -1.67 1.13 -0.40 0.00 0.00 0.00 175.76 174.82 3kox n ASP 103 N 7.89 1.82 -3.67 0.00 5.75 -0.94 -4.23 116.55 123.16 3kox n ASP 103 Ca 0.20 -2.92 -0.15 0.00 -0.01 0.00 0.00 54.79 51.92 3kox n ASP 103 Cb 0.42 -0.39 -0.14 0.00 -1.03 0.00 0.00 41.12 39.97 3kox n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kox s HIS 104 N -2.29 -0.28 -0.15 2.11 5.04 -0.55 -1.20 115.29 117.97 3kox s HIS 104 Ca 0.26 0.75 0.02 0.00 -1.54 0.00 0.00 55.06 54.56 3kox s HIS 104 Cb 0.23 -0.15 0.01 0.00 0.04 0.00 0.00 32.58 32.72 3kox s HIS 104 CO 0.01 -0.30 -0.21 0.42 -2.34 0.00 0.00 174.74 172.32 3kox s ILE 105 N 2.21 2.09 -0.17 0.89 -1.09 -0.15 -2.43 121.20 122.55 3kox s ILE 105 Ca 0.01 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3kox s ILE 105 Cb -0.12 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.92 3kox s ILE 105 CO -0.07 0.55 -0.14 -0.32 -1.23 0.00 0.00 174.94 173.73 3kox s MET 106 N 0.91 3.23 -0.46 2.79 1.75 -0.97 -0.88 119.30 125.67 3kox s MET 106 Ca -0.05 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 53.59 3kox s MET 106 Cb -0.15 -2.69 0.12 0.00 2.84 0.00 0.00 34.83 34.95 3kox s MET 106 CO -0.04 -0.04 0.31 0.08 -0.65 0.00 0.00 175.02 174.68 3kox s VAL 107 N 0.97 4.00 0.27 10.11 1.01 0.18 -2.09 120.40 134.85 3kox s VAL 107 Ca -0.02 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 59.81 3kox s VAL 107 Cb -0.15 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 3kox s VAL 107 CO -0.02 -0.75 1.50 -0.63 0.00 0.00 0.00 175.10 175.19 3kox s ILE 108 N 1.31 2.40 0.45 2.22 1.01 -1.26 -4.44 121.20 122.89 3kox s ILE 108 Ca 0.06 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 3kox s ILE 108 Cb -0.25 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3kox s ILE 108 CO -0.02 0.06 0.93 -0.13 0.00 0.00 0.00 174.94 175.78 3kox s ARG 109 N -0.53 4.06 0.20 2.79 0.52 -1.26 -0.98 118.95 123.75 3kox s ARG 109 Ca 0.60 0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 56.47 3kox s ARG 109 Cb -0.44 -2.20 -0.16 0.00 0.52 0.00 0.00 34.95 32.66 3kox s ARG 109 CO 0.46 -0.11 0.86 -2.37 0.02 0.00 0.00 175.30 174.17 3kox n THR 110 N -1.03 1.57 -1.69 0.02 5.66 -0.56 -4.09 114.28 114.16 3kox n THR 110 Ca 0.06 -0.39 -0.56 0.00 -3.05 0.00 0.00 64.05 60.11 3kox n THR 110 Cb 0.54 -0.49 -0.07 0.00 -1.55 0.00 0.00 70.33 68.76 3kox n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kox n ALA 111 N 0.54 -0.18 -1.01 1.79 0.00 -0.89 -0.65 120.51 120.11 3kox n ALA 111 Ca 0.15 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 3kox n ALA 111 Cb 0.25 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 3kox n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 112 N 3.94 0.47 0.49 0.00 0.00 -1.26 -4.93 105.19 103.89 3kox n GLY 112 Ca 0.25 -0.12 0.31 0.00 0.00 0.00 0.00 46.02 46.45 3kox n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kox h GLN 113 N 0.81 0.09 -0.43 1.61 4.15 -1.20 0.14 115.11 120.29 3kox h GLN 113 Ca -0.00 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.53 3kox h GLN 113 Cb 0.08 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3kox h GLN 113 CO 0.01 0.06 0.47 0.77 -1.93 0.00 0.00 178.83 178.20 3kox h SER 114 N 0.09 0.00 0.06 -0.69 0.02 -1.85 -1.35 113.55 109.84 3kox h SER 114 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3kox h SER 114 Cb 1.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3kox h SER 114 CO -0.07 0.00 -0.08 1.41 -1.14 0.00 0.00 176.83 176.95 3kox n HIS 115 N -3.69 0.00 -2.76 3.45 8.25 0.49 -0.39 115.22 120.57 3kox n HIS 115 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 3kox n HIS 115 Cb 0.65 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 3kox n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kox s TYR 116 N -2.15 3.39 -1.42 4.41 2.02 -0.51 -4.91 117.35 118.18 3kox s TYR 116 Ca 0.34 1.38 -0.07 0.00 -0.37 0.00 0.00 57.07 58.35 3kox s TYR 116 Cb 0.20 -3.15 0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3kox s TYR 116 CO 0.39 -0.36 2.65 -3.47 -1.57 0.00 0.00 175.55 173.20 3kox n ASP 117 N 5.73 8.31 0.00 2.29 2.03 -1.26 -3.79 116.55 129.86 3kox n ASP 117 Ca 0.08 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.50 3kox n ASP 117 Cb 0.47 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3kox n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kox n GLY 118 N 2.50 3.72 3.71 0.27 0.00 -1.26 -4.95 105.19 109.18 3kox n GLY 118 Ca 0.69 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3kox n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kox n LEU 119 N 0.00 5.07 -4.82 0.99 4.77 -1.26 -4.97 117.00 116.78 3kox n LEU 119 Ca 0.00 0.94 -0.22 0.00 -0.03 0.00 0.00 56.01 56.70 3kox n LEU 119 Cb 0.00 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.52 3kox n LEU 119 CO 0.00 -0.91 -0.12 0.27 -1.33 0.00 0.00 177.39 175.30 3kox s ILE 120 N -1.34 3.59 0.26 -0.08 -4.36 -1.26 -5.15 121.20 112.87 3kox s ILE 120 Ca 0.73 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 59.74 3kox s ILE 120 Cb -0.42 -3.18 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 3kox s ILE 120 CO 0.48 -0.21 -0.05 -1.61 0.24 0.00 0.00 174.94 173.80 3kox s GLU 121 N -3.94 1.46 2.54 0.37 0.41 -1.26 -4.46 118.70 113.83 3kox s GLU 121 Ca 0.39 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 3kox s GLU 121 Cb -0.06 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 31.32 3kox s GLU 121 CO 0.25 0.00 0.00 0.41 -0.49 0.00 0.00 175.26 175.44 3kox n GLY 122 N -0.51 -0.91 2.21 -1.39 0.00 -1.16 -4.65 105.19 98.78 3kox n GLY 122 Ca -0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 3kox n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kox n THR 123 N 0.00 -0.15 -1.39 2.61 -2.24 -1.26 -4.40 114.28 107.44 3kox n THR 123 Ca 0.00 -4.54 -0.29 0.00 -2.27 0.00 0.00 64.05 56.94 3kox n THR 123 Cb 0.00 -0.50 0.13 0.00 -2.10 0.00 0.00 70.33 67.86 3kox n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kox s PRO 124 N -2.30 1.30 0.02 -0.78 0.04 -1.25 -3.15 135.00 128.87 3kox s PRO 124 Ca 0.40 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.72 3kox s PRO 124 Cb 0.33 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 3kox s PRO 124 CO -0.08 -2.15 0.85 -1.14 0.04 0.00 0.00 177.00 174.52 3kox s GLN 125 N -5.10 4.54 0.66 4.56 0.74 -1.26 -4.63 119.66 119.16 3kox s GLN 125 Ca 0.63 1.20 -0.02 0.00 0.05 0.00 0.00 55.36 57.22 3kox s GLN 125 Cb -0.16 -3.42 0.07 0.00 1.10 0.00 0.00 33.01 30.60 3kox s GLN 125 CO 0.55 0.11 0.93 0.20 -0.55 0.00 0.00 175.29 176.53 3kox s GLY 126 N 0.49 1.77 -0.09 2.59 0.00 -0.72 -4.91 107.32 106.45 3kox s GLY 126 Ca 0.44 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3kox s GLY 126 CO 0.25 -0.88 -0.09 -0.42 0.00 0.00 0.00 173.10 171.95 3kox s ILE 127 N -3.05 1.00 0.00 0.90 -1.09 -1.26 -4.64 121.20 113.06 3kox s ILE 127 Ca 0.61 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 3kox s ILE 127 Cb -0.09 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 3kox s ILE 127 CO 0.42 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 175.09 3kox n GLY 128 N 4.50 0.36 2.20 6.18 0.00 -1.26 -2.09 105.19 115.06 3kox n GLY 128 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3kox n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 129 N -1.69 0.58 3.58 -0.02 0.00 -1.26 -4.70 105.19 101.68 3kox n GLY 129 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3kox n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kox s VAL 130 N -2.15 4.48 -0.20 1.61 1.01 -0.15 -3.31 120.40 121.69 3kox s VAL 130 Ca 0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3kox s VAL 130 Cb -0.01 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3kox s VAL 130 CO 0.01 0.46 1.59 -2.84 0.00 0.00 0.00 175.10 174.32 3kox s PRO 131 N 0.47 3.86 -0.28 2.72 0.02 -1.26 -1.50 135.00 139.02 3kox s PRO 131 Ca 0.01 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 3kox s PRO 131 Cb -0.13 -4.01 0.01 0.00 0.02 0.00 0.00 34.50 30.39 3kox s PRO 131 CO 0.01 -1.22 1.08 0.42 -0.33 0.00 0.00 177.00 176.97 3kox s ILE 132 N 4.98 4.55 0.23 2.83 -1.09 -1.26 -4.87 121.20 126.56 3kox s ILE 132 Ca 0.70 1.82 -0.03 0.00 -2.23 0.00 0.00 60.65 60.91 3kox s ILE 132 Cb -0.25 -4.35 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 3kox s ILE 132 CO 0.28 -0.36 0.22 0.42 -1.23 0.00 0.00 174.94 174.28 3kox s THR 133 N 3.51 0.00 0.28 2.92 -4.23 -1.26 -4.53 115.64 112.33 3kox s THR 133 Ca 0.46 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3kox s THR 133 Cb -0.14 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.37 3kox s THR 133 CO 0.12 0.00 1.78 -0.09 -0.54 0.00 0.00 174.62 175.90 3kox h ARG 134 N 2.49 0.67 0.15 3.99 2.43 -1.88 0.80 114.38 123.03 3kox h ARG 134 Ca -0.33 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3kox h ARG 134 Cb 1.25 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3kox h ARG 134 CO 0.48 0.72 -0.07 -0.22 -1.51 0.00 0.00 179.97 179.36 3kox h LYS 135 N 0.62 -0.19 -0.54 0.20 3.64 -1.84 0.13 116.57 118.59 3kox h LYS 135 Ca 0.12 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3kox h LYS 135 Cb 0.45 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3kox h LYS 135 CO 0.02 0.11 0.09 0.37 -2.27 0.00 0.00 179.45 177.77 3kox h GLN 136 N -0.50 0.87 -0.40 1.90 -0.00 -1.73 -0.34 115.11 114.90 3kox h GLN 136 Ca -0.02 -0.20 -0.04 0.00 -0.00 0.00 0.00 58.65 58.39 3kox h GLN 136 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 3kox h GLN 136 CO 0.03 0.81 0.09 0.28 0.00 0.00 0.00 178.83 180.05 3kox h VAL 137 N 0.82 1.23 -0.54 2.39 2.07 -0.77 -2.32 116.25 119.13 3kox h VAL 137 Ca 0.17 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3kox h VAL 137 Cb 0.37 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3kox h VAL 137 CO 0.01 0.28 0.05 0.03 0.02 0.00 0.00 177.57 177.96 3kox h ARG 138 N 0.51 0.88 -0.22 1.57 3.08 -0.09 -1.14 114.38 118.97 3kox h ARG 138 Ca 0.13 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3kox h ARG 138 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kox h ARG 138 CO 0.00 0.85 0.10 0.00 -1.07 0.00 0.00 179.97 179.85 3kox h ALA 139 N 1.22 0.28 -0.05 0.04 0.00 -1.02 -0.70 119.26 119.03 3kox h ALA 139 Ca 0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3kox h ALA 139 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kox h ALA 139 CO 0.01 -0.15 -0.87 1.96 0.00 0.00 0.00 179.25 180.21 3kox h GLN 140 N 0.21 0.53 -0.46 0.00 4.20 -1.31 -1.74 115.11 116.54 3kox h GLN 140 Ca 0.07 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.16 3kox h GLN 140 Cb 0.14 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3kox h GLN 140 CO -0.01 1.13 -0.19 -0.09 -0.67 0.00 0.00 178.83 179.01 3kox h ARG 141 N 0.33 0.91 -0.58 1.46 9.65 -1.20 0.13 114.38 125.09 3kox h ARG 141 Ca -0.07 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 3kox h ARG 141 Cb 1.49 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 30.00 3kox h ARG 141 CO 0.16 1.02 0.29 -0.22 2.80 0.00 0.00 179.97 184.01 3kox h LYS 142 N 0.79 0.82 -0.18 0.20 3.64 -1.04 -0.95 116.57 119.86 3kox h LYS 142 Ca 0.11 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3kox h LYS 142 Cb 0.74 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3kox h LYS 142 CO 0.06 0.66 -0.20 0.00 -2.27 0.00 0.00 179.45 177.69 3kox h ALA 143 N 1.12 0.26 -0.77 5.00 0.00 -1.02 -2.66 119.26 121.19 3kox h ALA 143 Ca 0.20 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kox h ALA 143 Cb 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kox h ALA 143 CO -0.03 0.20 0.51 -0.07 0.00 0.00 0.00 179.25 179.86 3kox h LEU 144 N 0.10 0.81 -1.71 0.00 3.38 -0.65 0.78 115.31 118.03 3kox h LEU 144 Ca 0.02 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3kox h LEU 144 Cb 0.76 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3kox h LEU 144 CO 0.05 0.56 0.40 0.44 0.09 0.00 0.00 178.44 179.98 3kox h ASP 145 N 0.94 0.29 0.03 -0.43 5.19 -0.82 0.29 116.42 121.92 3kox h ASP 145 Ca 0.31 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.69 3kox h ASP 145 Cb 0.05 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3kox h ASP 145 CO -0.09 0.17 -0.16 -0.07 -3.12 0.00 0.00 179.24 175.97 3kox h LEU 146 N 0.32 0.09 -1.68 1.55 3.38 -1.09 -3.21 115.31 114.66 3kox h LEU 146 Ca 0.28 -0.97 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 3kox h LEU 146 Cb 0.67 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3kox h LEU 146 CO -0.07 1.06 -0.19 0.40 0.09 0.00 0.00 178.44 179.73 3kox h ILE 147 N -0.86 0.98 0.02 1.22 2.04 0.24 -1.45 117.51 119.70 3kox h ILE 147 Ca -0.03 -0.67 -0.21 0.00 1.00 0.00 0.00 64.86 64.95 3kox h ILE 147 Cb 1.10 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3kox h ILE 147 CO 0.03 0.18 -0.99 1.05 0.00 0.00 0.00 178.15 178.42 3kox h GLU 148 N 0.00 0.04 -0.24 2.37 4.11 -0.61 -2.52 114.58 117.73 3kox h GLU 148 Ca -0.00 -0.07 -0.17 0.00 0.07 0.00 0.00 59.36 59.19 3kox h GLU 148 Cb 0.36 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kox h GLU 148 CO 0.02 0.99 -0.53 0.93 0.07 0.00 0.00 179.01 180.50 3kox h GLU 149 N 0.02 0.70 0.53 1.06 4.39 -1.48 0.57 114.58 120.36 3kox h GLU 149 Ca -0.03 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3kox h GLU 149 Cb 1.72 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 3kox h GLU 149 CO 0.13 1.05 -0.36 1.49 -1.16 0.00 0.00 179.01 180.17 3kox h GLU 150 N 0.54 -0.81 0.00 2.33 4.81 -1.21 -3.00 114.58 117.25 3kox h GLU 150 Ca 0.02 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kox h GLU 150 Cb 1.10 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kox h GLU 150 CO 0.11 -0.54 -0.05 -0.39 -0.73 0.00 0.00 179.01 177.41 3kox h VAL 151 N -0.84 0.13 0.00 0.32 -1.51 -1.50 -3.39 116.25 109.47 3kox h VAL 151 Ca -0.07 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3kox h VAL 151 Cb 0.68 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3kox h VAL 151 CO 0.05 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 3kox n GLY 152 N -0.03 0.89 3.43 5.19 0.00 0.13 -1.52 105.19 113.27 3kox n GLY 152 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 3kox n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kox s ARG 153 N -2.22 0.55 0.43 1.61 3.52 -0.80 -4.68 118.95 117.35 3kox s ARG 153 Ca 0.00 0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 56.26 3kox s ARG 153 Cb 0.00 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.41 3kox s ARG 153 CO 0.00 -0.13 1.18 -0.35 -0.81 0.00 0.00 175.30 175.18 3kox n PRO 154 N 3.87 1.69 -4.86 5.12 -0.04 -1.26 -4.68 135.00 134.85 3kox n PRO 154 Ca -0.20 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.54 3kox n PRO 154 Cb 0.57 -2.26 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 3kox n PRO 154 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kox s ILE 155 N -1.23 2.98 0.00 0.52 1.01 -1.26 -4.90 121.20 118.32 3kox s ILE 155 Ca 0.62 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 60.30 3kox s ILE 155 Cb -0.52 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3kox s ILE 155 CO 0.57 0.55 0.80 0.20 0.00 0.00 0.00 174.94 177.06 3kox s ASN 156 N -0.08 7.18 -0.14 3.58 0.01 -0.34 -4.97 114.94 120.19 3kox s ASN 156 Ca -0.02 1.42 -0.08 0.00 -0.71 0.00 0.00 52.86 53.47 3kox s ASN 156 Cb -0.14 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3kox s ASN 156 CO 0.04 -0.08 0.15 -0.47 -1.51 0.00 0.00 177.10 175.22 3kox s TYR 157 N 0.43 3.55 -0.08 2.20 5.04 -1.26 -0.98 117.35 126.25 3kox s TYR 157 Ca 0.41 0.49 -0.05 0.00 -2.44 0.00 0.00 57.07 55.49 3kox s TYR 157 Cb -0.20 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.12 3kox s TYR 157 CO 0.23 0.61 0.18 -1.58 -1.34 0.00 0.00 175.55 173.64 3kox s HIS 158 N -0.63 -0.22 0.00 4.97 5.65 -0.06 -1.47 115.29 123.53 3kox s HIS 158 Ca 0.13 0.55 0.00 0.00 0.25 0.00 0.00 55.06 56.00 3kox s HIS 158 Cb -0.12 0.00 0.00 0.00 -1.18 0.00 0.00 32.58 31.29 3kox s HIS 158 CO 0.03 -0.16 0.00 0.45 -0.65 0.00 0.00 174.74 174.41 3kox n SER 159 N 3.76 0.00 -4.50 9.88 2.88 -1.15 0.47 113.62 124.97 3kox n SER 159 Ca -0.21 -0.08 -0.33 0.00 -1.33 0.00 0.00 58.87 56.91 3kox n SER 159 Cb 0.55 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.88 3kox n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kox s TYR 160 N -1.29 2.89 -2.05 0.66 2.02 -1.26 -1.97 117.35 116.36 3kox s TYR 160 Ca 0.00 -0.24 0.24 0.00 -0.37 0.00 0.00 57.07 56.70 3kox s TYR 160 Cb 0.00 -1.79 0.21 0.00 -0.40 0.00 0.00 41.96 39.98 3kox s TYR 160 CO 0.00 0.09 1.23 0.28 -1.57 0.00 0.00 175.55 175.58 3kox n VAL 161 N 2.86 0.00 -1.01 0.71 0.31 0.00 -4.90 118.33 116.31 3kox n VAL 161 Ca -0.18 -0.25 -0.36 0.00 -0.01 0.00 0.00 64.34 63.55 3kox n VAL 161 Cb 0.53 1.06 0.06 0.00 -0.91 0.00 0.00 33.84 34.57 3kox n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kox n SER 162 N -0.07 -4.16 0.00 4.52 7.64 -1.25 -4.01 113.62 116.29 3kox n SER 162 Ca 0.10 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3kox n SER 162 Cb 0.45 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3kox n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kox n GLY 163 N 2.64 -0.66 0.22 0.23 0.00 -1.26 -4.49 105.19 101.87 3kox n GLY 163 Ca 0.03 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.95 3kox n GLY 163 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kox h VAL 164 N 0.00 0.65 -0.67 1.61 -1.51 -0.95 -3.31 116.25 112.07 3kox h VAL 164 Ca 0.00 -1.16 -0.30 0.00 -1.23 0.00 0.00 66.70 64.01 3kox h VAL 164 Cb 0.00 1.76 -0.18 0.00 -2.13 0.00 0.00 31.29 30.74 3kox h VAL 164 CO 0.00 0.25 0.28 0.00 -1.23 0.00 0.00 177.57 176.87 3kox n ALA 165 N -2.25 4.74 -0.14 5.19 0.00 -1.25 -4.84 120.51 121.96 3kox n ALA 165 Ca -0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 53.44 50.61 3kox n ALA 165 Cb 0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3kox n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 166 N -0.85 -2.30 0.30 0.00 0.00 -1.25 -1.49 105.19 99.60 3kox n GLY 166 Ca 0.44 0.66 0.03 0.00 0.00 0.00 0.00 46.02 47.16 3kox n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kox h PRO 167 N 0.00 0.50 0.04 1.61 0.11 -1.88 0.81 132.00 133.20 3kox h PRO 167 Ca 0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kox h PRO 167 Cb 0.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3kox h PRO 167 CO -0.31 0.38 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.40 3kox h ASP 168 N 0.51 -0.05 -0.29 -2.05 3.45 -1.65 -2.05 116.42 114.30 3kox h ASP 168 Ca 0.13 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 3kox h ASP 168 Cb 0.03 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 3kox h ASP 168 CO -0.02 -0.02 0.09 0.40 -1.57 0.00 0.00 179.24 178.12 3kox h ILE 169 N -0.06 1.20 -0.78 0.35 2.04 -0.56 -2.00 117.51 117.69 3kox h ILE 169 Ca -0.01 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3kox h ILE 169 Cb 0.05 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3kox h ILE 169 CO 0.01 0.21 0.52 0.00 0.00 0.00 0.00 178.15 178.89 3kox h ALA 170 N 0.93 1.45 0.79 1.87 0.00 -0.80 0.21 119.26 123.70 3kox h ALA 170 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kox h ALA 170 Cb 0.24 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kox h ALA 170 CO -0.00 0.51 -0.40 0.28 0.00 0.00 0.00 179.25 179.64 3kox h VAL 171 N 1.05 0.19 -0.91 0.00 2.07 -1.02 0.17 116.25 117.80 3kox h VAL 171 Ca 0.29 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.95 3kox h VAL 171 Cb -0.11 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 29.78 3kox h VAL 171 CO -0.07 0.00 0.58 -0.03 0.02 0.00 0.00 177.57 178.08 3kox h MET 172 N -1.08 0.70 -0.11 1.57 -1.53 -0.58 0.10 114.93 114.01 3kox h MET 172 Ca -0.11 -0.04 -0.23 0.00 -3.44 0.00 0.00 59.70 55.88 3kox h MET 172 Cb 0.84 -0.16 0.01 0.00 -0.55 0.00 0.00 31.60 31.74 3kox h MET 172 CO 0.16 0.46 -0.84 0.74 0.14 0.00 0.00 176.91 177.58 3kox h PHE 173 N 0.72 1.01 -0.31 1.39 -1.00 -0.38 -2.16 116.94 116.22 3kox h PHE 173 Ca 0.46 -0.47 0.05 0.00 2.81 0.00 0.00 57.97 60.81 3kox h PHE 173 Cb 0.71 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 3kox h PHE 173 CO -0.00 1.30 0.05 0.00 -1.61 0.00 0.00 178.31 178.05 3kox h ALA 174 N 0.56 0.32 -0.00 2.45 0.00 0.26 -1.85 119.26 121.01 3kox h ALA 174 Ca -0.07 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kox h ALA 174 Cb 1.47 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3kox h ALA 174 CO 0.17 -0.35 -0.55 0.93 0.00 0.00 0.00 179.25 179.45 3kox h GLU 175 N 0.16 0.00 -0.45 0.00 5.08 -0.65 -3.29 114.58 115.44 3kox h GLU 175 Ca 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3kox h GLU 175 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kox h GLU 175 CO -0.20 0.55 0.00 0.39 -1.00 0.00 0.00 179.01 178.75 3kox n GLU 176 N -3.89 3.75 -0.21 2.33 -0.58 -0.83 -4.81 120.64 116.40 3kox n GLU 176 Ca -0.01 -2.90 0.00 0.00 -0.42 0.00 0.00 57.16 53.82 3kox n GLU 176 Cb 0.56 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3kox n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kox n GLY 177 N 0.26 1.66 3.67 0.62 0.00 -1.15 -4.76 105.19 105.48 3kox n GLY 177 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 3kox n GLY 177 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kox n VAL 178 N -2.00 0.56 -0.01 1.61 0.31 -0.71 -4.55 118.33 113.54 3kox n VAL 178 Ca 0.00 -0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.13 3kox n VAL 178 Cb 0.00 -1.49 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 3kox n VAL 178 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kox n ASN 179 N 2.66 0.82 -3.81 4.52 4.13 -0.54 -4.68 115.26 118.35 3kox n ASN 179 Ca 0.14 0.38 -0.11 0.00 1.68 0.00 0.00 54.58 56.67 3kox n ASN 179 Cb 0.30 0.07 -0.08 0.00 -1.54 0.00 0.00 39.78 38.54 3kox n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kox s GLY 180 N -5.03 -0.02 -0.01 7.41 0.00 -0.80 -2.54 107.32 106.34 3kox s GLY 180 Ca -0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.32 3kox s GLY 180 CO 0.82 -0.41 0.29 0.00 0.00 0.00 0.00 173.10 173.80 3kox s ALA 181 N -2.74 -0.73 0.10 3.20 0.00 -0.10 -2.95 121.76 118.54 3kox s ALA 181 Ca -0.04 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 3kox s ALA 181 Cb -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 3kox s ALA 181 CO -0.05 -0.27 0.97 -1.01 0.00 0.00 0.00 175.76 175.41 3kox s HIS 182 N -1.43 3.78 -0.30 0.00 3.76 -0.83 -1.04 115.29 119.24 3kox s HIS 182 Ca -0.13 1.78 -0.02 0.00 -0.15 0.00 0.00 55.06 56.54 3kox s HIS 182 Cb -0.05 -3.08 0.18 0.00 1.11 0.00 0.00 32.58 30.74 3kox s HIS 182 CO 0.03 0.13 0.59 -1.14 -0.85 0.00 0.00 174.74 173.51 3kox s GLN 183 N 0.09 0.56 -0.11 1.40 -0.44 -0.65 -0.82 119.66 119.68 3kox s GLN 183 Ca 0.48 1.03 -0.04 0.00 -2.50 0.00 0.00 55.36 54.33 3kox s GLN 183 Cb -0.23 0.53 0.05 0.00 -1.64 0.00 0.00 33.01 31.72 3kox s GLN 183 CO 0.30 -0.58 0.11 0.34 0.50 0.00 0.00 175.29 175.96 3kox s ASP 184 N 2.85 1.52 0.22 6.67 -1.08 -1.26 -4.63 116.67 120.96 3kox s ASP 184 Ca 0.18 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.24 3kox s ASP 184 Cb -0.15 -0.03 0.89 0.00 -1.46 0.00 0.00 42.92 42.17 3kox s ASP 184 CO -0.20 -0.29 1.56 -0.81 0.52 0.00 0.00 175.17 175.94 3kox n PRO 185 N 5.30 0.12 0.09 4.34 -0.04 -1.26 -1.54 135.00 142.01 3kox n PRO 185 Ca -0.05 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 63.80 3kox n PRO 185 Cb 0.50 -1.82 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 3kox n PRO 185 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kox h GLN 186 N 0.00 0.26 0.15 0.54 4.20 -1.95 -3.29 115.11 115.03 3kox h GLN 186 Ca 0.00 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.37 3kox h GLN 186 Cb 0.14 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3kox h GLN 186 CO 0.00 1.10 -0.26 -0.92 -0.67 0.00 0.00 178.83 178.08 3kox h TYR 187 N 0.12 -0.69 -0.73 2.96 3.20 -1.62 -0.19 116.97 120.01 3kox h TYR 187 Ca -0.09 0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.96 3kox h TYR 187 Cb 1.73 0.29 -0.13 0.00 1.54 0.00 0.00 36.73 40.16 3kox h TYR 187 CO 0.05 -0.37 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.28 3kox h ASN 188 N -0.49 -0.37 0.26 -2.11 4.21 -1.63 -1.30 115.58 114.16 3kox h ASN 188 Ca 0.02 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 3kox h ASN 188 Cb 0.50 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 3kox h ASN 188 CO -0.13 -0.18 -0.13 0.58 -1.29 0.00 0.00 177.43 176.29 3kox h VAL 189 N 0.09 0.57 -0.35 2.81 2.07 -1.57 -1.65 116.25 118.23 3kox h VAL 189 Ca 0.39 -0.88 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 3kox h VAL 189 Cb 0.68 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3kox h VAL 189 CO -0.65 0.14 -0.37 -0.07 0.02 0.00 0.00 177.57 176.63 3kox h LEU 190 N -0.93 0.93 0.00 2.57 3.38 -0.84 -2.37 115.31 118.05 3kox h LEU 190 Ca -0.04 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3kox h LEU 190 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kox h LEU 190 CO 0.06 1.21 -1.74 -1.22 0.09 0.00 0.00 178.44 176.84 3kox n TYR 191 N -4.12 0.00 0.39 1.13 4.01 -0.51 -4.55 117.16 113.52 3kox n TYR 191 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 3kox n TYR 191 Cb 0.53 -0.43 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 3kox n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kox n ARG 192 N -2.15 0.40 -3.74 -0.72 5.12 -1.17 -5.04 116.66 109.37 3kox n ARG 192 Ca -0.08 -1.03 -0.22 0.00 -1.93 0.00 0.00 57.85 54.59 3kox n ARG 192 Cb 0.54 -1.17 0.02 0.00 -1.16 0.00 0.00 32.46 30.69 3kox n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kox n ASN 193 N 0.48 -1.10 -4.91 0.55 5.15 -0.89 -4.86 115.26 109.68 3kox n ASN 193 Ca 0.05 -0.86 -0.33 0.00 -0.60 0.00 0.00 54.58 52.85 3kox n ASN 193 Cb 0.23 -3.86 -0.05 0.00 -0.53 0.00 0.00 39.78 35.57 3kox n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kox s ILE 194 N -3.72 5.39 0.35 -1.44 1.01 -0.66 -1.16 121.20 120.96 3kox s ILE 194 Ca 0.01 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 3kox s ILE 194 Cb -0.00 -3.57 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 3kox s ILE 194 CO 0.83 0.26 1.43 -3.20 0.00 0.00 0.00 174.94 174.27 3kox n ASN 195 N 0.74 3.41 0.16 3.58 2.85 0.33 -4.09 115.26 122.23 3kox n ASN 195 Ca -0.09 1.21 0.02 0.00 -0.11 0.00 0.00 54.58 55.60 3kox n ASN 195 Cb 0.52 -1.56 0.23 0.00 1.24 0.00 0.00 39.78 40.21 3kox n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kox h MET 196 N 3.15 0.00 0.05 1.20 -0.00 -1.84 -1.56 114.93 115.93 3kox h MET 196 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.21 3kox h MET 196 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 3kox h MET 196 CO 0.66 0.52 -0.02 0.82 -0.00 0.00 0.00 176.91 178.89 3kox h ILE 197 N 0.00 1.20 -0.90 -0.10 2.04 -1.90 -2.56 117.51 115.28 3kox h ILE 197 Ca -0.01 -1.63 0.24 0.00 1.00 0.00 0.00 64.86 64.46 3kox h ILE 197 Cb 1.04 2.15 -0.14 0.00 -0.74 0.00 0.00 36.82 39.13 3kox h ILE 197 CO 0.07 0.36 0.35 -0.09 0.00 0.00 0.00 178.15 178.84 3kox h ARG 198 N -0.90 0.29 -0.17 2.37 9.65 -1.86 -1.31 114.38 122.45 3kox h ARG 198 Ca -0.01 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 3kox h ARG 198 Cb 0.65 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 3kox h ARG 198 CO 0.01 0.19 -0.02 1.03 2.80 0.00 0.00 179.97 183.98 3kox h SER 199 N 0.30 0.31 0.59 -3.80 0.87 -1.25 -1.68 113.55 108.88 3kox h SER 199 Ca 0.58 -0.34 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 3kox h SER 199 Cb 1.18 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 3kox h SER 199 CO -0.60 0.58 -0.75 -0.26 -0.53 0.00 0.00 176.83 175.27 3kox h PHE 200 N 0.04 0.18 -0.18 2.24 -1.00 -1.01 -1.79 116.94 115.42 3kox h PHE 200 Ca 0.05 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.63 3kox h PHE 200 Cb 0.43 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3kox h PHE 200 CO 0.04 0.83 -0.35 0.82 -1.61 0.00 0.00 178.31 178.04 3kox h ILE 201 N 0.08 1.29 -0.12 -0.55 2.04 -1.21 -2.77 117.51 116.27 3kox h ILE 201 Ca -0.02 -1.42 -0.19 0.00 1.00 0.00 0.00 64.86 64.23 3kox h ILE 201 Cb 1.32 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3kox h ILE 201 CO 0.11 0.44 -0.70 0.44 0.00 0.00 0.00 178.15 178.44 3kox h ASP 202 N 0.32 0.60 -0.14 1.72 5.19 -1.17 -3.19 116.42 119.75 3kox h ASP 202 Ca 0.04 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.04 3kox h ASP 202 Cb 0.77 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3kox h ASP 202 CO 0.06 1.12 -0.00 0.00 -3.12 0.00 0.00 179.24 177.30 3kox h ALA 203 N 0.87 1.53 -0.76 3.45 0.00 -1.11 -0.65 119.26 122.60 3kox h ALA 203 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kox h ALA 203 Cb 1.28 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3kox h ALA 203 CO 0.13 0.34 0.45 0.00 0.00 0.00 0.00 179.25 180.17 3kox h GLU 205 N 1.04 -0.00 -0.20 0.00 4.57 -1.51 -2.98 114.58 115.49 3kox h GLU 205 Ca 0.27 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.48 3kox h GLU 205 Cb -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 3kox h GLU 205 CO -0.05 0.71 -0.49 0.77 -1.18 0.00 0.00 179.01 178.77 3kox h SER 206 N -0.72 -1.58 -0.42 1.04 0.02 -0.98 0.19 113.55 111.10 3kox h SER 206 Ca -0.00 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 3kox h SER 206 Cb 0.71 0.63 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 3kox h SER 206 CO 0.00 -0.41 0.29 0.11 -1.14 0.00 0.00 176.83 175.68 3kox h LYS 207 N -0.46 0.15 -0.31 3.45 1.57 -1.17 0.88 116.57 120.67 3kox h LYS 207 Ca 0.04 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3kox h LYS 207 Cb 0.58 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kox h LYS 207 CO -0.44 0.10 -0.29 1.15 -0.57 0.00 0.00 179.45 179.40 3kox h THR 208 N 0.15 1.30 -0.20 -0.16 2.02 -0.88 0.13 112.91 115.27 3kox h THR 208 Ca 0.19 -1.46 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 3kox h THR 208 Cb 0.57 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3kox h THR 208 CO -0.03 0.47 -0.18 0.40 0.37 0.00 0.00 175.52 176.55 3kox h ILE 209 N 0.50 1.23 -0.02 3.11 2.04 0.40 -0.94 117.51 123.81 3kox h ILE 209 Ca 0.05 -1.03 -0.21 0.00 1.00 0.00 0.00 64.86 64.67 3kox h ILE 209 Cb 0.86 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3kox h ILE 209 CO 0.07 0.32 -0.86 0.24 0.00 0.00 0.00 178.15 177.92 3kox h MET 210 N 0.32 0.37 -0.12 2.37 2.86 -0.44 -2.92 114.93 117.37 3kox h MET 210 Ca 0.06 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3kox h MET 210 Cb 0.51 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3kox h MET 210 CO 0.03 1.03 0.07 0.00 1.06 0.00 0.00 176.91 179.10 3kox h ALA 211 N 0.85 0.15 -0.91 6.32 0.00 -0.19 -2.48 119.26 122.98 3kox h ALA 211 Ca -0.06 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.01 3kox h ALA 211 Cb 1.48 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 3kox h ALA 211 CO 0.15 -0.38 0.59 2.35 0.00 0.00 0.00 179.25 181.95 3kox h TRP 212 N 0.14 0.82 -0.24 0.00 7.01 -1.08 -1.05 115.95 121.55 3kox h TRP 212 Ca 0.05 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3kox h TRP 212 Cb -0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3kox h TRP 212 CO -0.08 0.28 0.00 0.00 -2.79 0.00 0.00 178.44 175.85 3kox n ALA 213 N -2.43 2.48 -3.94 2.65 0.00 -0.95 -4.90 120.51 113.43 3kox n ALA 213 Ca 0.18 -0.48 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 3kox n ALA 213 Cb 0.51 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 3kox n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kox n ASP 214 N 0.27 -1.08 -4.90 0.00 2.03 -0.40 -3.47 116.55 108.99 3kox n ASP 214 Ca 0.11 -0.96 -0.30 0.00 0.52 0.00 0.00 54.79 54.17 3kox n ASP 214 Cb 0.25 -3.26 -0.04 0.00 -0.72 0.00 0.00 41.12 37.36 3kox n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kox s MET 215 N -6.50 3.61 0.09 -0.67 -1.94 -1.13 -1.85 119.30 110.91 3kox s MET 215 Ca 0.13 -0.10 -0.24 0.00 -1.71 0.00 0.00 55.69 53.76 3kox s MET 215 Cb -0.07 -2.78 -0.06 0.00 2.01 0.00 0.00 34.83 33.93 3kox s MET 215 CO 0.88 0.38 0.74 0.00 -0.01 0.00 0.00 175.02 177.00 3kox s ALA 216 N -1.83 3.43 -0.15 3.03 0.00 -1.05 -4.85 121.76 120.33 3kox s ALA 216 Ca 0.42 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3kox s ALA 216 Cb -0.11 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3kox s ALA 216 CO 0.27 0.19 -0.01 -1.14 0.00 0.00 0.00 175.76 175.06 3kox s GLN 217 N -0.56 3.67 -0.11 0.00 0.74 0.10 -0.93 119.66 122.57 3kox s GLN 217 Ca 0.36 -0.47 -0.01 0.00 0.05 0.00 0.00 55.36 55.29 3kox s GLN 217 Cb -0.21 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 3kox s GLN 217 CO 0.23 0.30 -0.06 0.42 -0.55 0.00 0.00 175.29 175.63 3kox s ILE 218 N 0.23 3.75 0.29 -2.34 1.01 -0.20 -0.71 121.20 123.24 3kox s ILE 218 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3kox s ILE 218 Cb -0.13 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.81 3kox s ILE 218 CO 0.02 0.55 0.40 -0.90 0.00 0.00 0.00 174.94 175.01 3kox n ASP 219 N 2.92 0.35 -0.68 3.58 5.68 -1.07 -1.64 116.55 125.70 3kox n ASP 219 Ca -0.18 -1.34 0.06 0.00 -0.50 0.00 0.00 54.79 52.83 3kox n ASP 219 Cb 0.53 -0.28 0.17 0.00 -1.14 0.00 0.00 41.12 40.40 3kox n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kox n GLY 223 N 2.10 3.05 0.33 6.12 0.00 -1.26 -4.58 105.19 110.94 3kox n GLY 223 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.65 3kox n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h ALA 224 N 1.92 1.39 -1.08 4.61 0.00 -1.92 -2.74 119.26 121.45 3kox h ALA 224 Ca 0.00 0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.29 3kox h ALA 224 Cb 0.88 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 3kox h ALA 224 CO 0.05 -0.00 0.67 1.12 0.00 0.00 0.00 179.25 181.08 3kox h HIS 225 N 0.74 0.76 -0.74 0.00 2.07 -1.84 0.31 115.15 116.45 3kox h HIS 225 Ca 0.49 0.03 0.20 0.00 -2.85 0.00 0.00 60.37 58.24 3kox h HIS 225 Cb 0.65 -0.21 -0.03 0.00 2.57 0.00 0.00 27.41 30.38 3kox h HIS 225 CO -0.05 -0.05 0.52 -0.91 -3.07 0.00 0.00 177.93 174.37 3kox h ASN 226 N 0.35 0.06 0.72 3.10 2.35 -1.86 0.15 115.58 120.45 3kox h ASN 226 Ca 0.68 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.39 3kox h ASN 226 Cb 1.70 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 40.06 3kox h ASN 226 CO -0.43 0.02 -0.21 0.00 -1.65 0.00 0.00 177.43 175.17 3kox h ALA 227 N 1.64 1.10 0.08 -0.83 0.00 -0.58 -2.18 119.26 118.49 3kox h ALA 227 Ca 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kox h ALA 227 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kox h ALA 227 CO -0.02 0.26 -0.04 -0.91 0.00 0.00 0.00 179.25 178.54 3kox h ASN 228 N 0.00 -0.10 -0.47 0.00 4.21 -0.79 -2.37 115.58 116.07 3kox h ASN 228 Ca -0.00 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.28 3kox h ASN 228 Cb 0.63 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 3kox h ASN 228 CO 0.03 0.18 0.29 0.00 -1.29 0.00 0.00 177.43 176.64 3kox h ALA 229 N 0.52 0.59 -0.00 -0.83 0.00 -1.35 -2.75 119.26 115.44 3kox h ALA 229 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kox h ALA 229 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kox h ALA 229 CO 0.02 0.07 -0.04 0.25 0.00 0.00 0.00 179.25 179.55 3kox n THR 230 N -4.73 0.00 -2.10 0.00 -2.24 -0.85 -4.84 114.28 99.51 3kox n THR 230 Ca 0.02 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 3kox n THR 230 Cb 0.04 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.10 3kox n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kox s ALA 231 N -2.26 2.74 -0.01 6.98 0.00 -0.89 -4.94 121.76 123.38 3kox s ALA 231 Ca 0.37 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 3kox s ALA 231 Cb 0.21 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.68 3kox s ALA 231 CO 0.42 -0.96 1.11 0.00 0.00 0.00 0.00 175.76 176.33 3kox h ARG 232 N 1.37 0.33 -3.57 0.00 2.47 -1.88 -3.42 114.38 109.69 3kox h ARG 232 Ca -0.50 -0.32 -0.60 0.00 -1.26 0.00 0.00 59.98 57.29 3kox h ARG 232 Cb 1.28 0.08 -0.40 0.00 -1.65 0.00 0.00 29.97 29.28 3kox h ARG 232 CO 0.57 1.00 -0.74 -1.21 0.56 0.00 0.00 179.97 180.15 3kox s GLU 233 N -3.33 1.00 0.61 0.04 2.02 -1.26 -5.01 118.70 112.76 3kox s GLU 233 Ca -0.14 -1.47 0.29 0.00 0.02 0.00 0.00 54.97 53.67 3kox s GLU 233 Cb 0.03 -2.29 1.56 0.00 0.10 0.00 0.00 34.13 33.53 3kox s GLU 233 CO 0.79 -1.03 1.95 0.00 0.02 0.00 0.00 175.26 176.99 3kox h ALA 234 N 7.62 1.88 0.00 5.21 0.00 -1.84 0.19 119.26 132.33 3kox h ALA 234 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kox h ALA 234 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kox h ALA 234 CO 0.48 -0.52 0.00 -2.67 0.00 0.00 0.00 179.25 176.54 3kox n TRP 235 N -3.52 0.00 1.03 0.00 2.14 -1.26 -2.17 117.44 113.65 3kox n TRP 235 Ca 0.04 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.72 3kox n TRP 235 Cb 0.52 -0.31 0.05 0.00 -0.81 0.00 0.00 31.31 30.75 3kox n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kox n LYS 236 N -1.31 0.49 -0.11 -2.67 5.02 0.68 -4.62 118.16 115.64 3kox n LYS 236 Ca 0.11 -0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.13 3kox n LYS 236 Cb 0.21 -1.49 0.32 0.00 -0.02 0.00 0.00 35.03 34.05 3kox n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kox n VAL 237 N -0.93 0.29 -0.04 -0.18 3.14 -0.92 -4.21 118.33 115.47 3kox n VAL 237 Ca 0.07 -0.41 -0.16 0.00 -2.96 0.00 0.00 64.34 60.88 3kox n VAL 237 Cb 0.38 0.40 -0.07 0.00 -1.06 0.00 0.00 33.84 33.49 3kox n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kox h MET 238 N 2.41 0.63 -0.26 1.45 2.86 -1.82 -1.99 114.93 118.21 3kox h MET 238 Ca 0.00 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 3kox h MET 238 Cb 0.53 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 3kox h MET 238 CO 0.00 1.10 -0.00 -1.35 1.06 0.00 0.00 176.91 177.72 3kox h PRO 239 N 0.29 0.39 -0.43 -0.22 0.11 -1.89 0.50 132.00 130.75 3kox h PRO 239 Ca -0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3kox h PRO 239 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3kox h PRO 239 CO 0.11 0.42 0.25 1.49 -0.21 0.00 0.00 178.00 180.06 3kox h GLU 240 N 0.38 0.60 -0.33 1.05 4.81 -1.81 -2.72 114.58 116.56 3kox h GLU 240 Ca 0.09 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3kox h GLU 240 Cb 0.26 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 3kox h GLU 240 CO 0.01 0.47 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.65 3kox h LEU 241 N 0.57 -0.21 -1.43 1.64 3.38 -0.21 -0.70 115.31 118.35 3kox h LEU 241 Ca 0.15 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3kox h LEU 241 Cb 0.04 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kox h LEU 241 CO -0.03 -0.07 0.47 0.24 0.09 0.00 0.00 178.44 179.15 3kox h MET 242 N 0.05 0.64 -0.07 1.13 2.86 -1.02 -0.57 114.93 117.96 3kox h MET 242 Ca 0.16 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3kox h MET 242 Cb 0.23 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3kox h MET 242 CO -0.30 0.43 -0.10 0.28 1.06 0.00 0.00 176.91 178.28 3kox h VAL 243 N 0.66 1.40 -0.78 -2.22 2.07 -0.85 -1.13 116.25 115.40 3kox h VAL 243 Ca 0.33 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3kox h VAL 243 Cb 0.40 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3kox h VAL 243 CO -0.11 0.38 0.51 1.56 0.02 0.00 0.00 177.57 179.92 3kox h GLN 244 N -0.29 1.03 -0.58 1.57 4.20 -0.91 -2.04 115.11 118.10 3kox h GLN 244 Ca 0.01 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.70 3kox h GLN 244 Cb 0.66 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3kox h GLN 244 CO 0.02 0.69 0.31 0.45 -0.67 0.00 0.00 178.83 179.63 3kox h HIS 245 N 1.06 0.57 -0.09 2.96 3.86 -1.07 -2.82 115.15 119.62 3kox h HIS 245 Ca 0.28 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3kox h HIS 245 Cb -0.11 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 3kox h HIS 245 CO -0.02 0.28 0.04 0.00 0.86 0.00 0.00 177.93 179.09 3kox h ALA 246 N 1.30 0.11 -0.22 2.45 0.00 -0.66 -1.54 119.26 120.72 3kox h ALA 246 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kox h ALA 246 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kox h ALA 246 CO -0.16 -0.33 -0.00 -0.07 0.00 0.00 0.00 179.25 178.69 3kox h LEU 247 N 0.02 0.38 -1.45 0.00 3.38 -1.33 0.16 115.31 116.47 3kox h LEU 247 Ca 0.03 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3kox h LEU 247 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kox h LEU 247 CO -0.00 0.60 -0.12 -1.13 0.09 0.00 0.00 178.44 177.87 3kox h ASN 248 N 0.15 0.20 0.04 -0.43 -1.24 -1.54 -1.26 115.58 111.50 3kox h ASN 248 Ca 0.06 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 3kox h ASN 248 Cb 0.40 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.40 3kox h ASN 248 CO 0.01 0.34 -0.02 0.28 -1.29 0.00 0.00 177.43 176.75 3kox h SER 249 N 0.20 -0.05 -0.64 1.15 0.02 -0.15 -1.30 113.55 112.79 3kox h SER 249 Ca 0.04 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 3kox h SER 249 Cb 0.34 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3kox h SER 249 CO 0.02 0.64 0.26 -0.29 -1.14 0.00 0.00 176.83 176.31 3kox h ILE 250 N -0.78 1.23 -0.69 3.27 6.09 -0.80 0.28 117.51 126.12 3kox h ILE 250 Ca -0.01 -0.73 0.06 0.00 -1.37 0.00 0.00 64.86 62.81 3kox h ILE 250 Cb 0.66 0.53 -0.06 0.00 0.47 0.00 0.00 36.82 38.42 3kox h ILE 250 CO 0.01 0.29 0.39 0.15 -3.07 0.00 0.00 178.15 175.91 3kox h PHE 251 N 0.89 0.71 -0.06 2.19 3.57 -1.27 0.35 116.94 123.32 3kox h PHE 251 Ca 0.21 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.53 3kox h PHE 251 Cb 0.20 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3kox h PHE 251 CO 0.01 0.34 -0.80 0.77 -2.23 0.00 0.00 178.31 176.40 3kox h SER 252 N 0.71 0.56 -0.19 0.41 0.02 -0.91 -1.41 113.55 112.75 3kox h SER 252 Ca 0.31 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3kox h SER 252 Cb 0.19 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3kox h SER 252 CO -0.18 1.16 -0.02 0.25 -1.14 0.00 0.00 176.83 176.90 3kox h LEU 253 N 0.30 -0.12 -0.57 5.07 5.85 -0.08 -1.73 115.31 124.03 3kox h LEU 253 Ca -0.05 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3kox h LEU 253 Cb 1.40 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 3kox h LEU 253 CO 0.14 -0.04 -0.69 0.11 -0.34 0.00 0.00 178.44 177.63 3kox h LYS 254 N 0.03 0.13 -0.53 1.25 1.79 -0.68 -0.89 116.57 117.67 3kox h LYS 254 Ca 0.09 -0.11 0.13 0.00 -2.18 0.00 0.00 60.65 58.57 3kox h LYS 254 Cb 0.12 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 3kox h LYS 254 CO -0.17 0.77 0.37 0.28 -1.08 0.00 0.00 179.45 179.62 3kox h VAL 255 N 0.09 0.81 0.00 0.50 2.07 -1.11 -3.46 116.25 115.15 3kox h VAL 255 Ca -0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kox h VAL 255 Cb 1.23 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kox h VAL 255 CO 0.10 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.33 3kox n GLY 256 N -1.59 0.96 3.76 2.17 0.00 -0.34 -4.91 105.19 105.24 3kox n GLY 256 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3kox n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kox s MET 257 N 0.00 3.53 0.27 1.61 -1.94 -0.68 -4.99 119.30 117.10 3kox s MET 257 Ca 0.00 2.15 -0.29 0.00 -1.71 0.00 0.00 55.69 55.84 3kox s MET 257 Cb 0.00 -2.46 -0.09 0.00 2.01 0.00 0.00 34.83 34.29 3kox s MET 257 CO 0.00 -0.85 1.10 0.15 -0.01 0.00 0.00 175.02 175.41 3kox s LYS 258 N -2.65 4.63 0.19 2.03 1.02 -1.26 -4.47 119.74 119.23 3kox s LYS 258 Ca 0.65 1.81 -0.13 0.00 0.02 0.00 0.00 55.97 58.32 3kox s LYS 258 Cb -0.38 -3.19 0.22 0.00 -0.52 0.00 0.00 37.83 33.95 3kox s LYS 258 CO 0.47 0.20 1.68 0.87 -0.92 0.00 0.00 175.35 177.65 3kox h LYS 259 N 3.91 0.13 0.00 1.68 1.57 -1.94 -0.04 116.57 121.88 3kox h LYS 259 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3kox h LYS 259 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3kox h LYS 259 CO 0.67 0.09 0.04 -1.13 -0.57 0.00 0.00 179.45 178.55 3kox n SER 260 N -5.22 0.33 -0.73 0.86 3.41 -1.26 -0.01 113.62 111.00 3kox n SER 260 Ca 0.06 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 3kox n SER 260 Cb 0.29 -0.67 0.06 0.00 -0.26 0.00 0.00 64.21 63.63 3kox n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kox n ASN 261 N -1.94 2.50 -4.47 4.04 3.02 -0.05 -4.79 115.26 113.57 3kox n ASN 261 Ca -0.01 -1.75 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 3kox n ASN 261 Cb 0.06 0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 3kox n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kox s ILE 262 N -1.97 5.07 -0.21 2.41 1.01 0.99 -0.72 121.20 127.77 3kox s ILE 262 Ca 0.22 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3kox s ILE 262 Cb 0.18 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3kox s ILE 262 CO 0.35 -0.48 -0.05 0.00 0.00 0.00 0.00 174.94 174.76 3kox s LEU 264 N 1.39 4.37 -0.90 0.00 1.02 -0.10 -2.58 118.68 121.88 3kox s LEU 264 Ca 0.05 1.86 -0.21 0.00 0.02 0.00 0.00 54.13 55.85 3kox s LEU 264 Cb -0.14 -3.58 0.09 0.00 0.02 0.00 0.00 46.19 42.58 3kox s LEU 264 CO -0.03 -0.37 1.20 -0.55 0.02 0.00 0.00 176.35 176.62 3kox s SER 265 N 1.01 6.49 -0.32 2.29 0.15 -1.26 -0.42 113.70 121.63 3kox s SER 265 Ca 0.56 -1.61 -0.04 0.00 0.70 0.00 0.00 55.95 55.55 3kox s SER 265 Cb -0.26 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3kox s SER 265 CO 0.29 -1.30 0.05 0.28 1.20 0.00 0.00 173.24 173.76 3kox s THR 266 N 3.74 3.40 -0.21 6.45 -1.32 -0.20 -3.51 115.64 123.98 3kox s THR 266 Ca 0.35 -1.25 -0.10 0.00 -1.21 0.00 0.00 61.69 59.48 3kox s THR 266 Cb -0.06 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 67.95 3kox s THR 266 CO -0.05 -0.14 0.13 -0.69 -2.21 0.00 0.00 174.62 171.66 3kox s VAL 267 N 1.33 5.25 0.23 5.08 1.01 -1.26 -1.98 120.40 130.06 3kox s VAL 267 Ca -0.03 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.76 3kox s VAL 267 Cb -0.20 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 3kox s VAL 267 CO 0.01 0.40 1.58 -2.65 0.00 0.00 0.00 175.10 174.44 3kox n PRO 268 N 3.86 2.42 0.20 2.72 -0.02 -1.26 -4.90 135.00 138.02 3kox n PRO 268 Ca -0.16 0.87 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 3kox n PRO 268 Cb 0.52 -2.63 0.36 0.00 -0.02 0.00 0.00 33.50 31.73 3kox n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kox h PRO 269 N 5.40 0.00 -5.49 0.52 0.11 -1.92 -3.45 132.00 127.17 3kox h PRO 269 Ca -0.45 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.02 3kox h PRO 269 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3kox h PRO 269 CO 0.85 0.30 -0.57 0.95 -0.21 0.00 0.00 178.00 179.31 3kox s THR 270 N -3.54 1.69 -0.01 -1.15 -4.23 -1.26 -4.61 115.64 102.53 3kox s THR 270 Ca 0.01 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 3kox s THR 270 Cb 0.10 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3kox s THR 270 CO 0.66 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 175.07 3kox s ALA 271 N -2.79 -0.81 0.68 3.99 0.00 -1.26 -4.90 121.76 116.67 3kox s ALA 271 Ca 0.26 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3kox s ALA 271 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3kox s ALA 271 CO 0.13 -0.28 0.94 -2.30 0.00 0.00 0.00 175.76 174.25 3kox n PRO 272 N 1.17 0.62 -0.08 0.00 -0.02 -1.26 -1.51 135.00 133.92 3kox n PRO 272 Ca -0.21 0.26 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 3kox n PRO 272 Cb 0.56 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3kox n PRO 272 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kox n PRO 273 N -1.53 1.37 -1.56 0.52 -0.04 -1.26 -5.08 135.00 127.42 3kox n PRO 273 Ca 0.13 -0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 62.86 3kox n PRO 273 Cb 0.49 -1.32 0.07 0.00 -0.04 0.00 0.00 33.50 32.70 3kox n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kox s ALA 274 N -1.58 2.27 -1.09 0.55 0.00 -0.57 -4.88 121.76 116.47 3kox s ALA 274 Ca 0.07 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 3kox s ALA 274 Cb 0.05 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3kox s ALA 274 CO 0.03 -1.61 1.94 -0.35 0.00 0.00 0.00 175.76 175.77 3kox n PRO 275 N -2.63 1.98 -0.02 0.00 -0.04 -1.26 -4.78 135.00 128.25 3kox n PRO 275 Ca 0.12 -2.39 -0.18 0.00 -0.04 0.00 0.00 63.50 61.02 3kox n PRO 275 Cb 0.51 -3.34 -0.07 0.00 -0.04 0.00 0.00 33.50 30.56 3kox n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kox h SER 276 N 8.20 0.95 -0.26 3.54 4.64 -1.90 -1.80 113.55 126.93 3kox h SER 276 Ca 0.38 -0.63 0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3kox h SER 276 Cb 0.79 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 3kox h SER 276 CO 1.62 1.44 0.09 0.24 -0.87 0.00 0.00 176.83 179.35 3kox h MET 277 N 0.54 0.21 -0.27 4.77 2.86 -1.92 -0.13 114.93 120.97 3kox h MET 277 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3kox h MET 277 Cb 1.44 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 3kox h MET 277 CO 0.17 0.14 0.07 -0.92 1.06 0.00 0.00 176.91 177.42 3kox h TYR 278 N 0.21 0.38 0.15 -0.22 3.20 -1.91 0.14 116.97 118.93 3kox h TYR 278 Ca 0.11 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.74 3kox h TYR 278 Cb 0.07 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 38.24 3kox h TYR 278 CO -0.12 0.34 -1.05 -0.07 -1.64 0.00 0.00 178.16 175.62 3kox h LEU 279 N 0.38 0.51 0.00 2.82 3.38 -1.14 -3.40 115.31 117.86 3kox h LEU 279 Ca 0.09 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.99 3kox h LEU 279 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kox h LEU 279 CO -0.00 1.49 -1.24 0.44 0.09 0.00 0.00 178.44 179.22 3kox h ASP 280 N -0.27 0.00 -0.88 -0.43 3.32 -0.71 -3.37 116.42 114.07 3kox h ASP 280 Ca -0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3kox h ASP 280 Cb 1.75 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.26 3kox h ASP 280 CO 0.15 0.52 0.54 0.25 -1.72 0.00 0.00 179.24 178.98 3kox h LEU 281 N 0.00 1.04 -0.62 1.55 5.85 -0.92 -1.10 115.31 121.11 3kox h LEU 281 Ca -0.13 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 3kox h LEU 281 Cb 1.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kox h LEU 281 CO 0.04 0.79 -0.60 -0.65 -0.34 0.00 0.00 178.44 177.69 3kox h PRO 282 N 1.21 0.31 0.32 5.25 0.11 -1.80 -1.76 132.00 135.65 3kox h PRO 282 Ca 0.32 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3kox h PRO 282 Cb -0.07 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3kox h PRO 282 CO -0.06 0.81 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.47 3kox h TYR 283 N 0.23 -0.40 -0.70 0.65 3.20 -1.63 0.30 116.97 118.63 3kox h TYR 283 Ca -0.00 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.97 3kox h TYR 283 Cb 1.11 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.43 3kox h TYR 283 CO 0.03 -0.23 0.28 0.00 -1.64 0.00 0.00 178.16 176.60 3kox h ALA 284 N 0.20 0.95 -0.21 1.82 0.00 -1.09 0.26 119.26 121.19 3kox h ALA 284 Ca -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kox h ALA 284 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kox h ALA 284 CO 0.07 -0.18 -0.06 0.28 0.00 0.00 0.00 179.25 179.36 3kox h VAL 285 N 0.45 1.29 -0.46 0.00 2.07 -1.17 -1.94 116.25 116.49 3kox h VAL 285 Ca 0.37 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kox h VAL 285 Cb 0.51 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3kox h VAL 285 CO -0.35 0.32 0.29 0.00 0.02 0.00 0.00 177.57 177.85 3kox h ALA 286 N 0.74 0.59 -0.07 1.67 0.00 -0.18 0.88 119.26 122.89 3kox h ALA 286 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kox h ALA 286 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kox h ALA 286 CO 0.02 0.06 -0.06 1.25 0.00 0.00 0.00 179.25 180.53 3kox h LEU 287 N 0.62 -0.18 -0.82 0.00 5.85 -0.46 -1.57 115.31 118.75 3kox h LEU 287 Ca 0.17 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3kox h LEU 287 Cb -0.03 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3kox h LEU 287 CO -0.03 -0.08 -0.26 0.03 -0.34 0.00 0.00 178.44 177.75 3kox h ARG 288 N -0.07 0.58 0.41 1.25 3.08 -0.84 -1.79 114.38 117.01 3kox h ARG 288 Ca 0.05 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3kox h ARG 288 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3kox h ARG 288 CO -0.11 0.79 -0.26 0.93 -1.07 0.00 0.00 179.97 180.24 3kox h GLU 289 N 0.51 -0.63 -0.25 0.04 5.08 -0.65 -2.80 114.58 115.87 3kox h GLU 289 Ca 0.07 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3kox h GLU 289 Cb 0.72 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3kox h GLU 289 CO 0.06 -0.42 0.17 1.98 -1.00 0.00 0.00 179.01 179.79 3kox h MET 290 N -0.65 0.32 -0.57 2.33 4.05 -1.15 -3.11 114.93 116.14 3kox h MET 290 Ca -0.04 -0.02 -0.38 0.00 -0.28 0.00 0.00 59.70 58.98 3kox h MET 290 Cb 0.54 -0.07 -0.25 0.00 -0.80 0.00 0.00 31.60 31.02 3kox h MET 290 CO 0.04 0.21 -0.26 1.19 0.23 0.00 0.00 176.91 178.32 3kox n PHE 291 N -4.50 1.95 -1.59 1.39 3.72 -0.69 -5.01 117.46 112.73 3kox n PHE 291 Ca 0.01 -2.05 -0.49 0.00 -0.05 0.00 0.00 57.45 54.86 3kox n PHE 291 Cb 0.08 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.02 3kox n PHE 291 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3kox n GLU 292 N -0.94 1.25 0.00 -1.08 -0.00 -1.06 -1.40 120.64 117.41 3kox n GLU 292 Ca 0.41 0.45 0.00 0.00 -0.00 0.00 0.00 57.16 58.01 3kox n GLU 292 Cb 0.92 -1.99 0.00 0.00 -0.00 0.00 0.00 31.44 30.37 3kox n GLU 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kox n GLY 293 N 2.16 3.21 3.90 -1.84 0.00 -1.26 -5.05 105.19 106.31 3kox n GLY 293 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3kox n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kox s TYR 294 N -2.96 3.54 0.36 1.61 2.02 -0.49 -4.23 117.35 117.19 3kox s TYR 294 Ca 0.00 0.87 -0.25 0.00 -0.37 0.00 0.00 57.07 57.33 3kox s TYR 294 Cb 0.00 -2.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.12 3kox s TYR 294 CO 0.00 -0.22 0.96 1.03 -1.57 0.00 0.00 175.55 175.75 3kox s ARG 295 N -4.47 4.44 -0.29 -0.62 1.81 -0.21 -4.99 118.95 114.62 3kox s ARG 295 Ca 0.48 1.32 -0.08 0.00 -1.72 0.00 0.00 55.73 55.74 3kox s ARG 295 Cb -0.10 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 3kox s ARG 295 CO 0.41 0.15 0.10 -1.64 -0.68 0.00 0.00 175.30 173.63 3kox s MET 296 N -2.35 3.22 -0.54 3.54 -1.94 -1.26 -0.92 119.30 119.05 3kox s MET 296 Ca 0.54 -0.78 -0.14 0.00 -1.71 0.00 0.00 55.69 53.59 3kox s MET 296 Cb -0.17 -3.41 0.13 0.00 2.01 0.00 0.00 34.83 33.38 3kox s MET 296 CO 0.22 -0.41 0.48 0.50 -0.01 0.00 0.00 175.02 175.80 3kox s ARG 297 N 1.54 2.90 0.39 2.03 3.00 0.44 0.04 118.95 129.29 3kox s ARG 297 Ca 0.04 -1.75 -0.25 0.00 -1.00 0.00 0.00 55.73 52.76 3kox s ARG 297 Cb -0.17 -4.22 -0.09 0.00 0.00 0.00 0.00 34.95 30.47 3kox s ARG 297 CO 0.03 -1.30 1.14 0.00 0.00 0.00 0.00 175.30 175.17 3kox s ALA 298 N 1.50 3.16 0.03 6.12 0.00 0.19 -1.03 121.76 131.73 3kox s ALA 298 Ca 0.04 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 3kox s ALA 298 Cb -0.29 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3kox s ALA 298 CO 0.02 -0.44 0.01 -1.14 0.00 0.00 0.00 175.76 174.21 3kox s GLN 299 N -2.27 0.44 0.37 0.00 2.00 -0.84 -0.55 119.66 118.82 3kox s GLN 299 Ca 0.56 -0.76 -0.04 0.00 -2.00 0.00 0.00 55.36 53.13 3kox s GLN 299 Cb -0.29 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 33.64 3kox s GLN 299 CO 0.37 -0.09 0.64 -1.64 -0.50 0.00 0.00 175.29 174.06 3kox s MET 300 N -2.23 3.57 0.18 1.67 -1.94 -1.26 -4.08 119.30 115.22 3kox s MET 300 Ca -0.09 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.58 3kox s MET 300 Cb -0.04 -2.55 -0.08 0.00 2.01 0.00 0.00 34.83 34.17 3kox s MET 300 CO -0.04 0.05 1.20 1.21 -0.01 0.00 0.00 175.02 177.44 3kox s ASN 301 N -3.71 7.08 0.00 3.03 3.84 -1.26 -4.87 114.94 119.03 3kox s ASN 301 Ca 0.44 2.23 0.00 0.00 0.21 0.00 0.00 52.86 55.75 3kox s ASN 301 Cb -0.10 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 3kox s ASN 301 CO 0.36 -0.38 0.00 0.35 -2.79 0.00 0.00 177.10 174.64 3kox n THR 302 N 2.57 0.00 0.10 -5.21 -2.24 -1.26 -4.87 114.28 103.37 3kox n THR 302 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3kox n THR 302 Cb 0.45 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 3kox n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kox h LYS 303 N 0.00 -0.50 -2.66 -0.78 3.64 -1.94 -3.29 116.57 111.04 3kox h LYS 303 Ca 0.00 0.03 -0.77 0.00 -1.27 0.00 0.00 60.65 58.64 3kox h LYS 303 Cb 0.67 0.11 -0.30 0.00 -0.41 0.00 0.00 32.23 32.30 3kox h LYS 303 CO 0.00 -0.33 0.59 0.66 -2.27 0.00 0.00 179.45 178.10 3kox n TYR 304 N -5.41 2.60 -4.18 1.91 4.01 -1.26 -4.96 117.16 109.87 3kox n TYR 304 Ca -0.06 -2.84 -0.11 0.00 -0.16 0.00 0.00 57.90 54.72 3kox n TYR 304 Cb 0.32 -1.11 -0.10 0.00 -0.31 0.00 0.00 39.34 38.14 3kox n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kox s MET 305 N -3.10 0.85 0.00 -0.72 1.75 -1.24 -4.88 119.30 111.95 3kox s MET 305 Ca 0.35 -1.32 0.00 0.00 -1.25 0.00 0.00 55.69 53.47 3kox s MET 305 Cb 0.10 -0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.49 3kox s MET 305 CO 0.04 0.00 0.00 0.39 -0.65 0.00 0.00 175.02 174.80 3kox n GLU 306 N 0.04 0.00 0.00 4.11 -0.58 -1.26 -4.95 120.64 118.00 3kox n GLU 306 Ca -0.13 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.74 3kox n GLU 306 Cb 0.60 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.64 3kox n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kox n ALA 307 N -3.00 2.87 -2.61 0.62 0.00 -1.26 -3.75 120.51 113.38 3kox n ALA 307 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 3kox n ALA 307 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3kox n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kox s SER 308 N -2.19 6.75 0.37 0.00 0.15 -1.26 -4.82 113.70 112.70 3kox s SER 308 Ca 0.27 0.71 0.07 0.00 0.70 0.00 0.00 55.95 57.70 3kox s SER 308 Cb 0.20 -2.50 0.72 0.00 -1.71 0.00 0.00 66.02 62.72 3kox s SER 308 CO 0.41 -0.92 1.91 0.71 1.20 0.00 0.00 173.24 176.55 3kox h THR 309 N 5.85 1.18 0.04 6.45 1.35 -1.88 -1.89 112.91 124.01 3kox h THR 309 Ca -0.22 -0.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3kox h THR 309 Cb 1.07 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3kox h THR 309 CO 1.02 0.24 -0.02 -0.09 -0.25 0.00 0.00 175.52 176.42 3kox h ARG 310 N 0.36 -0.05 -0.47 4.72 2.43 -1.91 -0.67 114.38 118.79 3kox h ARG 310 Ca 0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3kox h ARG 310 Cb 0.32 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3kox h ARG 310 CO 0.01 -0.02 0.14 1.49 -1.51 0.00 0.00 179.97 180.09 3kox h GLU 311 N -0.07 0.74 -0.23 0.20 4.81 -1.87 -1.75 114.58 116.40 3kox h GLU 311 Ca -0.01 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3kox h GLU 311 Cb 0.06 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3kox h GLU 311 CO 0.01 0.71 -0.05 0.00 -0.73 0.00 0.00 179.01 178.95 3kox h ALA 312 N 1.00 0.16 -0.21 2.92 0.00 -1.20 -2.32 119.26 119.61 3kox h ALA 312 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kox h ALA 312 Cb 0.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kox h ALA 312 CO -0.00 -0.47 -0.21 1.15 0.00 0.00 0.00 179.25 179.72 3kox h THR 313 N 0.01 1.24 -0.01 0.00 2.02 -0.30 -0.71 112.91 115.17 3kox h THR 313 Ca 0.11 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3kox h THR 313 Cb 0.16 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3kox h THR 313 CO -0.22 0.35 -0.05 0.58 0.37 0.00 0.00 175.52 176.54 3kox h VAL 314 N 0.34 1.52 -0.99 3.16 2.07 -1.09 -2.44 116.25 118.82 3kox h VAL 314 Ca 0.06 -1.60 0.15 0.00 0.82 0.00 0.00 66.70 66.13 3kox h VAL 314 Cb 0.57 2.56 -0.10 0.00 -1.52 0.00 0.00 31.29 32.81 3kox h VAL 314 CO 0.04 0.42 0.61 0.74 0.02 0.00 0.00 177.57 179.40 3kox h THR 315 N -0.59 0.81 -0.39 2.57 2.02 -1.17 -0.32 112.91 115.85 3kox h THR 315 Ca -0.00 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3kox h THR 315 Cb 0.72 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3kox h THR 315 CO 0.01 0.16 0.26 0.45 0.37 0.00 0.00 175.52 176.77 3kox h HIS 316 N 0.87 0.29 -0.25 3.16 3.86 -0.92 0.22 115.15 122.37 3kox h HIS 316 Ca 0.53 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.58 3kox h HIS 316 Cb 0.68 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3kox h HIS 316 CO -0.01 0.16 -0.53 0.28 0.86 0.00 0.00 177.93 178.68 3kox h VAL 317 N 0.29 1.29 -0.33 2.45 2.07 -0.57 -0.36 116.25 121.09 3kox h VAL 317 Ca 0.17 -1.74 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 3kox h VAL 317 Cb 0.31 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3kox h VAL 317 CO -0.04 0.56 -0.09 -0.07 0.02 0.00 0.00 177.57 177.95 3kox h LEU 318 N 0.58 0.53 -0.21 2.57 3.38 -1.19 0.27 115.31 121.24 3kox h LEU 318 Ca 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kox h LEU 318 Cb 1.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kox h LEU 318 CO 0.11 0.66 0.11 0.78 0.09 0.00 0.00 178.44 180.20 3kox h ASN 319 N 0.51 0.26 -0.38 -0.43 -0.26 -0.56 -1.69 115.58 113.02 3kox h ASN 319 Ca 0.10 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3kox h ASN 319 Cb 0.47 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 3kox h ASN 319 CO 0.03 0.26 0.18 -0.07 -1.06 0.00 0.00 177.43 176.77 3kox h LEU 320 N 0.23 0.55 -0.78 1.61 3.38 -0.51 -2.03 115.31 117.76 3kox h LEU 320 Ca 0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kox h LEU 320 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kox h LEU 320 CO -0.01 0.50 0.35 0.25 0.09 0.00 0.00 178.44 179.61 3kox h LEU 321 N 0.61 1.04 -0.28 1.67 5.85 -0.07 -1.71 115.31 122.42 3kox h LEU 321 Ca 0.15 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kox h LEU 321 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3kox h LEU 321 CO -0.02 0.90 0.06 0.40 -0.34 0.00 0.00 178.44 179.44 3kox h ILE 322 N 1.11 0.87 -0.90 4.05 1.08 -0.62 0.10 117.51 123.19 3kox h ILE 322 Ca 0.26 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 3kox h ILE 322 Cb 0.16 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 3kox h ILE 322 CO -0.03 0.03 0.58 0.28 -0.69 0.00 0.00 178.15 178.32 3kox h SER 323 N 0.16 1.06 -0.25 1.72 0.02 -1.11 -1.87 113.55 113.28 3kox h SER 323 Ca 0.13 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 3kox h SER 323 Cb 0.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3kox h SER 323 CO -0.17 0.78 -0.54 0.50 -1.14 0.00 0.00 176.83 176.27 3kox h LYS 324 N 1.23 0.81 0.00 3.45 1.63 -0.37 -1.88 116.57 121.44 3kox h LYS 324 Ca 0.33 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3kox h LYS 324 Cb -0.11 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3kox h LYS 324 CO -0.07 1.16 0.00 -0.07 -3.45 0.00 0.00 179.45 177.02 3kox h LEU 325 N 0.56 0.00 0.00 5.20 3.38 -0.72 -3.44 115.31 120.29 3kox h LEU 325 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kox h LEU 325 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kox h LEU 325 CO 0.12 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.00 3kox n THR 326 N -2.84 0.00 -3.67 0.22 -2.24 -0.71 -4.94 114.28 100.10 3kox n THR 326 Ca -0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 3kox n THR 326 Cb 0.18 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3kox n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kox s ARG 327 N 1.52 0.84 -0.09 -0.78 3.52 -0.77 -5.01 118.95 118.18 3kox s ARG 327 Ca 0.00 -0.10 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3kox s ARG 327 Cb 0.00 0.38 0.05 0.00 -1.56 0.00 0.00 34.95 33.82 3kox s ARG 327 CO 0.00 -0.25 0.17 0.00 -0.81 0.00 0.00 175.30 174.41 3kox s ALA 328 N -1.55 -0.23 -0.14 6.12 0.00 -1.26 -4.84 121.76 119.87 3kox s ALA 328 Ca -0.11 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 3kox s ALA 328 Cb -0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 23.12 22.04 3kox s ALA 328 CO 0.04 -0.52 0.34 -0.25 0.00 0.00 0.00 175.76 175.37 3kox n ASP 329 N 5.19 2.07 -4.37 0.00 8.00 0.11 -4.51 116.55 123.04 3kox n ASP 329 Ca -0.08 0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 3kox n ASP 329 Cb 0.50 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.56 3kox n ASP 329 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kox s ILE 330 N -2.51 2.53 -0.28 0.53 1.01 -0.92 -2.44 121.20 119.13 3kox s ILE 330 Ca -0.24 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.53 3kox s ILE 330 Cb 0.06 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.65 3kox s ILE 330 CO 0.73 0.58 -0.08 -1.58 0.00 0.00 0.00 174.94 174.59 3kox s GLN 331 N -0.48 2.07 0.61 2.79 2.00 0.33 -0.64 119.66 126.35 3kox s GLN 331 Ca 0.06 -1.46 -0.13 0.00 -2.00 0.00 0.00 55.36 51.83 3kox s GLN 331 Cb -0.12 -2.96 -0.04 0.00 0.80 0.00 0.00 33.01 30.70 3kox s GLN 331 CO 0.01 -0.65 1.03 -1.12 -0.50 0.00 0.00 175.29 174.06 3kox s SER 332 N 1.06 6.07 0.14 6.67 0.01 0.29 -1.62 113.70 126.32 3kox s SER 332 Ca -0.05 1.54 0.08 0.00 1.31 0.00 0.00 55.95 58.83 3kox s SER 332 Cb -0.20 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 3kox s SER 332 CO -0.06 -0.97 -0.19 0.42 0.41 0.00 0.00 173.24 172.85 3kox s THR 333 N -2.96 1.78 -0.06 1.44 -4.23 -1.09 -4.14 115.64 106.38 3kox s THR 333 Ca 0.57 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3kox s THR 333 Cb -0.12 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 3kox s THR 333 CO 0.48 -0.23 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.51 3kox s ILE 334 N -1.75 2.69 0.21 2.99 -1.09 -1.26 -4.52 121.20 118.46 3kox s ILE 334 Ca 0.12 -0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 3kox s ILE 334 Cb -0.07 -2.03 -0.08 0.00 -1.58 0.00 0.00 42.46 38.69 3kox s ILE 334 CO 0.06 0.58 1.09 0.42 -1.23 0.00 0.00 174.94 175.85 3kox s THR 335 N -0.46 3.79 -1.27 2.92 -4.23 -1.26 -4.74 115.64 110.37 3kox s THR 335 Ca 0.06 1.62 0.17 0.00 -1.18 0.00 0.00 61.69 62.35 3kox s THR 335 Cb -0.12 -4.03 0.24 0.00 1.34 0.00 0.00 72.50 69.93 3kox s THR 335 CO 0.01 0.31 1.51 -2.65 -0.54 0.00 0.00 174.62 173.26 3kox n PRO 336 N 2.02 0.15 -0.08 3.99 -0.02 -1.26 -2.27 135.00 137.54 3kox n PRO 336 Ca 0.01 0.16 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 3kox n PRO 336 Cb 0.46 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.82 3kox n PRO 336 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kox n ASP 337 N -1.36 1.66 0.14 2.55 5.75 -1.26 -4.16 116.55 119.87 3kox n ASP 337 Ca 0.07 -1.70 0.12 0.00 -0.01 0.00 0.00 54.79 53.27 3kox n ASP 337 Cb 0.16 -0.10 0.51 0.00 -1.03 0.00 0.00 41.12 40.65 3kox n ASP 337 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3kox n GLU 338 N 0.32 0.19 -0.68 0.11 0.00 -0.96 0.07 120.64 119.68 3kox n GLU 338 Ca 0.16 0.46 0.09 0.00 0.00 0.00 0.00 57.16 57.87 3kox n GLU 338 Cb 0.33 -1.89 0.37 0.00 0.00 0.00 0.00 31.44 30.25 3kox n GLU 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kox n GLY 339 N -0.21 2.82 1.46 8.31 0.00 -1.25 -4.65 105.19 111.67 3kox n GLY 339 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3kox n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kox n ARG 340 N 1.03 0.00 -4.15 1.61 0.63 0.11 -4.00 116.66 111.89 3kox n ARG 340 Ca 0.27 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.08 3kox n ARG 340 Cb 0.97 -0.28 -0.09 0.00 0.45 0.00 0.00 32.46 33.51 3kox n ARG 340 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kox s ASN 341 N -5.30 0.14 0.19 6.15 4.22 0.28 -4.98 114.94 115.64 3kox s ASN 341 Ca 0.00 -1.28 -0.31 0.00 -2.14 0.00 0.00 52.86 49.13 3kox s ASN 341 Cb 0.00 0.44 -0.10 0.00 1.28 0.00 0.00 41.25 42.87 3kox s ASN 341 CO 0.00 -0.93 1.51 -0.69 -2.04 0.00 0.00 177.10 174.95 3kox s VAL 342 N -4.09 2.71 0.01 3.54 1.01 -1.26 -4.31 120.40 118.01 3kox s VAL 342 Ca 0.35 0.53 -0.38 0.00 0.00 0.00 0.00 61.98 62.48 3kox s VAL 342 Cb 0.05 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.91 3kox s VAL 342 CO 0.12 0.06 1.35 -2.65 0.00 0.00 0.00 175.10 173.97 3kox n PRO 343 N 3.45 0.90 -3.28 2.72 -0.02 -1.26 -4.97 135.00 132.53 3kox n PRO 343 Ca 0.11 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 3kox n PRO 343 Cb 0.39 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 3kox n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kox s TRP 344 N 0.85 3.47 0.14 6.00 0.51 -1.26 -4.83 118.94 123.81 3kox s TRP 344 Ca 0.88 0.75 -0.21 0.00 -2.12 0.00 0.00 56.10 55.40 3kox s TRP 344 Cb -1.04 -2.19 0.02 0.00 -0.81 0.00 0.00 33.47 29.45 3kox s TRP 344 CO 0.52 0.15 1.19 0.72 -0.51 0.00 0.00 176.95 179.02 3kox n HIS 345 N -0.83 -0.23 0.27 -1.98 8.25 -0.03 -1.01 115.22 119.66 3kox n HIS 345 Ca -0.01 0.96 0.15 0.00 -0.26 0.00 0.00 57.72 58.57 3kox n HIS 345 Cb 0.54 -0.63 0.73 0.00 1.12 0.00 0.00 29.99 31.74 3kox n HIS 345 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3kox h ILE 346 N 0.00 0.27 0.00 1.59 3.07 -1.95 -2.50 117.51 118.00 3kox h ILE 346 Ca 0.17 -0.58 -0.06 0.00 1.55 0.00 0.00 64.86 65.93 3kox h ILE 346 Cb 0.36 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 3kox h ILE 346 CO -0.74 0.08 -1.31 -1.22 -1.05 0.00 0.00 178.15 173.91 3kox n TYR 347 N -3.30 0.81 -0.16 0.16 4.01 -0.18 -1.75 117.16 116.75 3kox n TYR 347 Ca -0.01 0.25 -0.07 0.00 -0.16 0.00 0.00 57.90 57.92 3kox n TYR 347 Cb 0.28 -0.94 0.02 0.00 -0.31 0.00 0.00 39.34 38.40 3kox n TYR 347 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3kox h ASN 348 N 0.00 0.53 -0.50 7.72 4.21 -0.97 -2.76 115.58 123.81 3kox h ASN 348 Ca -0.07 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.33 3kox h ASN 348 Cb 1.22 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.28 3kox h ASN 348 CO 0.01 0.38 -0.09 0.40 -1.29 0.00 0.00 177.43 176.84 3kox h ILE 349 N 0.63 1.27 -0.30 2.81 5.03 -1.37 -0.58 117.51 124.99 3kox h ILE 349 Ca 0.19 -1.23 0.05 0.00 -0.12 0.00 0.00 64.86 63.75 3kox h ILE 349 Cb -0.03 0.95 -0.08 0.00 -3.03 0.00 0.00 36.82 34.63 3kox h ILE 349 CO -0.06 0.43 -0.47 -0.33 -0.68 0.00 0.00 178.15 177.04 3kox h GLU 350 N 0.88 -0.41 -0.83 2.37 5.08 -1.36 -0.37 114.58 119.94 3kox h GLU 350 Ca 0.14 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 3kox h GLU 350 Cb 0.64 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 3kox h GLU 350 CO 0.04 -0.27 0.40 0.00 -1.00 0.00 0.00 179.01 178.18 3kox h ALA 351 N 0.15 1.25 -0.36 3.43 0.00 -0.91 0.47 119.26 123.29 3kox h ALA 351 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3kox h ALA 351 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kox h ALA 351 CO -0.52 -0.15 -0.24 0.00 0.00 0.00 0.00 179.25 178.35 3kox h ASP 353 N 0.63 0.69 0.05 0.00 3.32 0.74 -2.73 116.42 119.12 3kox h ASP 353 Ca 0.09 -0.58 0.02 0.00 0.02 0.00 0.00 57.03 56.57 3kox h ASP 353 Cb 0.74 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3kox h ASP 353 CO 0.06 1.15 -0.16 0.74 -1.72 0.00 0.00 179.24 179.31 3kox h THR 354 N 0.27 0.61 -0.68 0.35 2.02 -0.13 0.42 112.91 115.76 3kox h THR 354 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 3kox h THR 354 Cb 1.07 0.61 -0.10 0.00 -1.74 0.00 0.00 68.15 68.00 3kox h THR 354 CO 0.10 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.18 3kox h ALA 355 N 0.59 0.88 -0.02 6.16 0.00 -1.48 0.06 119.26 125.44 3kox h ALA 355 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kox h ALA 355 Cb 0.34 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kox h ALA 355 CO -0.12 -0.29 -0.07 -0.22 0.00 0.00 0.00 179.25 178.55 3kox h LYS 356 N 0.31 0.09 -0.04 0.00 3.64 -1.20 -2.51 116.57 116.86 3kox h LYS 356 Ca 0.37 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3kox h LYS 356 Cb 0.59 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3kox h LYS 356 CO -0.44 0.70 0.02 0.37 -2.27 0.00 0.00 179.45 177.83 3kox h GLN 357 N -0.51 0.04 -0.60 1.90 4.15 0.08 -0.04 115.11 120.12 3kox h GLN 357 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3kox h GLN 357 Cb 0.71 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 3kox h GLN 357 CO 0.02 0.02 0.34 0.00 -1.93 0.00 0.00 178.83 177.28 3kox h ALA 358 N 1.02 0.77 -0.06 3.38 0.00 -1.08 0.20 119.26 123.48 3kox h ALA 358 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kox h ALA 358 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kox h ALA 358 CO -0.02 0.28 -0.13 -0.07 0.00 0.00 0.00 179.25 179.31 3kox h LEU 359 N 0.81 0.23 -0.45 0.00 3.38 -1.20 -1.14 115.31 116.94 3kox h LEU 359 Ca 0.21 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3kox h LEU 359 Cb 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3kox h LEU 359 CO -0.04 0.76 0.19 0.40 0.09 0.00 0.00 178.44 179.84 3kox h ILE 360 N -0.29 0.91 -0.27 1.22 1.08 -1.00 -0.31 117.51 118.85 3kox h ILE 360 Ca 0.00 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 64.42 3kox h ILE 360 Cb 0.72 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3kox h ILE 360 CO 0.03 0.07 0.27 1.23 -0.69 0.00 0.00 178.15 179.06 3kox h GLY 361 N 0.38 0.00 -2.46 5.37 0.00 -0.67 0.28 103.07 105.97 3kox h GLY 361 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3kox h GLY 361 CO -0.18 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.39 3kox n MET 362 N -3.85 2.85 -1.65 4.80 2.81 -0.19 -4.99 117.12 116.90 3kox n MET 362 Ca 0.04 -2.31 -0.46 0.00 -1.81 0.00 0.00 57.70 53.16 3kox n MET 362 Cb 0.42 -1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 3kox n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kox n ASP 363 N 1.12 2.58 0.00 7.83 2.03 0.97 -0.58 116.55 130.49 3kox n ASP 363 Ca 0.21 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.64 3kox n ASP 363 Cb 0.64 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 3kox n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kox n GLY 364 N 2.60 0.71 0.36 0.27 0.00 -1.26 -4.89 105.19 102.98 3kox n GLY 364 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3kox n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kox h LEU 365 N 0.00 0.40 -0.81 0.99 5.85 -1.22 0.26 115.31 120.77 3kox h LEU 365 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kox h LEU 365 Cb 0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3kox h LEU 365 CO 0.00 0.24 0.00 0.23 -0.34 0.00 0.00 178.44 178.57 3kox n MET 366 N -4.47 1.47 0.01 1.25 2.81 -1.26 -2.17 117.12 114.76 3kox n MET 366 Ca 0.11 -0.58 0.11 0.00 -1.81 0.00 0.00 57.70 55.53 3kox n MET 366 Cb 0.39 -1.26 0.11 0.00 -0.71 0.00 0.00 33.22 31.76 3kox n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kox n ASP 367 N -0.00 0.63 -0.00 7.83 8.00 0.08 -4.40 116.55 128.69 3kox n ASP 367 Ca 0.05 -0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.25 3kox n ASP 367 Cb 0.21 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.82 3kox n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kox n MET 368 N -1.71 3.27 -4.06 -1.24 2.81 -0.92 -5.03 117.12 110.23 3kox n MET 368 Ca 0.04 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.78 3kox n MET 368 Cb 0.38 -0.82 -0.13 0.00 -0.71 0.00 0.00 33.22 31.93 3kox n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kox s VAL 369 N -1.67 0.33 0.09 2.03 1.01 -1.08 -5.16 120.40 115.95 3kox s VAL 369 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kox s VAL 369 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3kox s VAL 369 CO 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 175.10 175.17 3kox s GLN 370 N -0.51 0.79 0.23 2.72 -2.07 -1.26 -4.52 119.66 115.04 3kox s GLN 370 Ca -0.02 -1.31 -0.30 0.00 -1.82 0.00 0.00 55.36 51.91 3kox s GLN 370 Cb -0.04 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 3kox s GLN 370 CO -0.00 -0.20 1.08 -0.51 -1.32 0.00 0.00 175.29 174.34 3kox s LEU 371 N -2.98 4.53 -1.22 2.60 1.43 -1.26 -4.96 118.68 116.83 3kox s LEU 371 Ca 0.15 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 3kox s LEU 371 Cb 0.07 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.83 3kox s LEU 371 CO -0.04 -0.14 1.49 -0.54 0.23 0.00 0.00 176.35 177.35 3kox s LYS 372 N -0.93 4.06 0.23 1.70 1.02 -1.26 -4.81 119.74 119.74 3kox s LYS 372 Ca 0.46 -2.44 0.06 0.00 0.02 0.00 0.00 55.97 54.08 3kox s LYS 372 Cb -0.30 -5.16 0.20 0.00 -0.52 0.00 0.00 37.83 32.05 3kox s LYS 372 CO 0.37 -1.87 1.52 -0.09 -0.92 0.00 0.00 175.35 174.36 3kox h ARG 373 N 7.29 0.15 -6.65 1.68 9.65 -1.98 -3.39 114.38 121.13 3kox h ARG 373 Ca 0.34 -0.12 -0.51 0.00 -1.10 0.00 0.00 59.98 58.60 3kox h ARG 373 Cb 0.88 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3kox h ARG 373 CO 1.29 0.78 -0.03 -1.21 2.80 0.00 0.00 179.97 183.60 3kox s GLU 374 N -3.54 3.68 0.72 0.20 0.41 -1.26 -1.88 118.70 117.03 3kox s GLU 374 Ca -0.03 0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 3kox s GLU 374 Cb 0.12 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 3kox s GLU 374 CO 0.80 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 176.07 3kox n GLY 375 N -1.17 -1.79 0.33 -1.39 0.00 -1.26 -4.69 105.19 95.22 3kox n GLY 375 Ca -0.00 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.44 3kox n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kox h VAL 376 N 0.00 0.81 0.20 1.61 3.04 -1.89 -1.39 116.25 118.63 3kox h VAL 376 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3kox h VAL 376 Cb 0.00 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3kox h VAL 376 CO 0.00 0.00 -0.09 0.25 -1.01 0.00 0.00 177.57 176.72 3kox h LEU 377 N 0.00 -0.22 -1.02 3.16 5.85 -1.83 -2.24 115.31 119.01 3kox h LEU 377 Ca 0.13 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3kox h LEU 377 Cb 0.53 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3kox h LEU 377 CO -0.00 0.08 0.37 1.23 -0.34 0.00 0.00 178.44 179.78 3kox h GLY 378 N -0.54 1.14 0.52 3.75 0.00 -0.53 0.15 103.07 107.56 3kox h GLY 378 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 47.33 46.82 3kox h GLY 378 CO 0.04 0.52 0.10 -0.55 0.00 0.00 0.00 176.54 176.65 3kox h ASP 379 N 1.06 0.05 -0.04 0.19 3.32 -1.46 -0.90 116.42 118.63 3kox h ASP 379 Ca 0.26 0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.20 3kox h ASP 379 Cb 0.09 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kox h ASP 379 CO -0.03 0.06 -0.60 0.74 -1.72 0.00 0.00 179.24 177.68 3kox h THR 380 N 0.24 1.31 -0.58 0.35 2.02 -0.85 -0.92 112.91 114.48 3kox h THR 380 Ca 0.20 -1.85 0.10 0.00 0.77 0.00 0.00 66.41 65.63 3kox h THR 380 Cb 0.23 1.81 -0.08 0.00 -1.74 0.00 0.00 68.15 68.38 3kox h THR 380 CO -0.25 0.58 0.15 0.58 0.37 0.00 0.00 175.52 176.95 3kox h VAL 381 N 0.48 0.69 -0.12 3.16 2.07 -0.48 0.86 116.25 122.92 3kox h VAL 381 Ca -0.00 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3kox h VAL 381 Cb 1.18 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3kox h VAL 381 CO 0.12 0.05 -0.04 -0.09 0.02 0.00 0.00 177.57 177.63 3kox h ARG 382 N 0.29 0.23 -0.60 1.57 9.65 -1.03 -1.79 114.38 122.71 3kox h ARG 382 Ca 0.30 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 3kox h ARG 382 Cb 0.42 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 3kox h ARG 382 CO -0.36 0.55 0.35 1.49 2.80 0.00 0.00 179.97 184.80 3kox h GLU 383 N -0.10 0.65 -0.32 0.20 4.81 -0.91 -1.16 114.58 117.75 3kox h GLU 383 Ca 0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kox h GLU 383 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3kox h GLU 383 CO 0.01 0.43 0.18 -0.07 -0.73 0.00 0.00 179.01 178.84 3kox h LEU 384 N 0.67 0.39 -0.90 1.64 3.38 -0.68 -0.28 115.31 119.53 3kox h LEU 384 Ca 0.26 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.27 3kox h LEU 384 Cb 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3kox h LEU 384 CO -0.14 0.35 0.52 0.11 0.09 0.00 0.00 178.44 179.38 3kox h LYS 385 N 0.40 0.80 -0.23 1.13 1.57 -1.03 -1.24 116.57 117.98 3kox h LYS 385 Ca 0.11 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3kox h LYS 385 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3kox h LYS 385 CO -0.02 0.53 -0.28 0.93 -0.57 0.00 0.00 179.45 180.04 3kox h GLU 386 N 0.82 0.59 -0.87 3.15 5.08 -0.51 -0.32 114.58 122.53 3kox h GLU 386 Ca 0.45 -0.33 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 3kox h GLU 386 Cb 0.49 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 3kox h GLU 386 CO -0.28 0.93 0.56 0.00 -1.00 0.00 0.00 179.01 179.22 3kox h ARG 387 N 0.29 0.63 -0.06 2.33 3.08 -0.75 -0.63 114.38 119.27 3kox h ARG 387 Ca 0.03 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3kox h ARG 387 Cb 0.85 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.77 3kox h ARG 387 CO 0.07 0.42 -0.84 0.00 -1.07 0.00 0.00 179.97 178.54 3kox h ALA 388 N 1.60 0.18 -0.93 0.04 0.00 -0.76 -1.90 119.26 117.49 3kox h ALA 388 Ca 0.44 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kox h ALA 388 Cb 0.74 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3kox h ALA 388 CO -0.19 0.60 0.57 0.28 0.00 0.00 0.00 179.25 180.51 3kox h VAL 389 N 0.34 1.25 -0.54 0.00 2.07 -0.26 -2.30 116.25 116.82 3kox h VAL 389 Ca -0.09 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3kox h VAL 389 Cb 1.50 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kox h VAL 389 CO 0.17 0.26 0.05 -0.07 0.02 0.00 0.00 177.57 178.00 3kox h LEU 390 N 1.28 0.90 -0.63 2.57 3.38 -1.08 -0.76 115.31 120.97 3kox h LEU 390 Ca 0.33 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 58.15 3kox h LEU 390 Cb -0.07 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 40.32 3kox h LEU 390 CO -0.06 0.96 -0.11 0.15 0.09 0.00 0.00 178.44 179.46 3kox h PHE 391 N 0.81 -0.25 -0.53 1.13 -0.00 -1.02 -0.90 116.94 116.18 3kox h PHE 391 Ca 0.16 0.05 -0.12 0.00 -0.00 0.00 0.00 57.97 58.07 3kox h PHE 391 Cb 0.47 0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 36.61 3kox h PHE 391 CO 0.03 -0.25 -0.13 0.52 -0.00 0.00 0.00 178.31 178.49 3kox h MET 392 N 0.03 1.01 -0.35 1.11 2.86 -0.81 -2.41 114.93 116.37 3kox h MET 392 Ca 0.31 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3kox h MET 392 Cb 0.49 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 3kox h MET 392 CO -0.62 1.07 0.11 0.93 1.06 0.00 0.00 176.91 179.46 3kox h GLU 393 N 0.89 0.24 -0.20 1.72 5.08 -0.46 -1.20 114.58 120.67 3kox h GLU 393 Ca 0.13 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3kox h GLU 393 Cb 0.70 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3kox h GLU 393 CO 0.05 0.16 -0.12 1.49 -1.00 0.00 0.00 179.01 179.59 3kox h GLU 394 N 0.25 0.32 -0.20 2.33 4.81 -0.97 0.22 114.58 121.34 3kox h GLU 394 Ca 0.16 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3kox h GLU 394 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3kox h GLU 394 CO -0.17 0.45 0.10 0.82 -0.73 0.00 0.00 179.01 179.48 3kox h ILE 395 N 0.30 1.12 -0.55 2.32 2.04 -0.75 0.24 117.51 122.23 3kox h ILE 395 Ca 0.06 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3kox h ILE 395 Cb 0.41 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3kox h ILE 395 CO 0.02 0.12 0.24 0.40 0.00 0.00 0.00 178.15 178.93 3kox h ILE 396 N 0.20 1.21 -0.64 -0.67 2.04 -0.66 0.99 117.51 119.99 3kox h ILE 396 Ca 0.07 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3kox h ILE 396 Cb 0.10 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3kox h ILE 396 CO -0.01 0.25 0.30 -0.08 0.00 0.00 0.00 178.15 178.62 3kox h GLU 397 N 0.75 0.91 0.00 2.37 4.81 -0.20 0.37 114.58 123.59 3kox h GLU 397 Ca 0.19 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kox h GLU 397 Cb 0.17 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kox h GLU 397 CO -0.02 0.70 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 3kox n ALA 398 N -2.44 1.42 -1.72 2.92 0.00 0.82 -4.87 120.51 116.63 3kox n ALA 398 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kox n ALA 398 Cb 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3kox n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kox n GLY 399 N -0.68 0.71 0.04 0.00 0.00 0.13 -4.70 105.19 100.69 3kox n GLY 399 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3kox n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 400 N -0.89 -3.78 0.14 -0.02 0.00 0.31 -4.50 105.19 96.45 3kox n GLY 400 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 3kox n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kox h TYR 401 N 0.00 -0.19 -0.62 1.61 3.20 -1.96 -0.90 116.97 118.12 3kox h TYR 401 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3kox h TYR 401 Cb 0.00 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3kox h TYR 401 CO 0.00 -0.13 0.32 0.74 -1.64 0.00 0.00 178.16 177.45 3kox h PHE 402 N -0.04 0.83 -0.06 -3.82 0.04 -1.96 -1.52 116.94 110.41 3kox h PHE 402 Ca 0.11 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3kox h PHE 402 Cb 0.21 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.10 3kox h PHE 402 CO -0.26 0.59 -0.30 -0.91 -0.60 0.00 0.00 178.31 176.84 3kox h ASN 403 N 0.86 0.36 -0.70 2.17 2.35 -1.64 -2.35 115.58 116.63 3kox h ASN 403 Ca 0.22 -0.66 0.13 0.00 -0.55 0.00 0.00 56.30 55.44 3kox h ASN 403 Cb 0.04 -0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.17 3kox h ASN 403 CO -0.03 0.96 -0.26 0.00 -1.65 0.00 0.00 177.43 176.44 3kox h ALA 404 N 0.41 0.25 -0.22 -0.83 0.00 -0.67 0.24 119.26 118.44 3kox h ALA 404 Ca -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3kox h ALA 404 Cb 0.95 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3kox h ALA 404 CO 0.06 -0.54 0.00 0.28 0.00 0.00 0.00 179.25 179.06 3kox h VAL 405 N -0.07 1.25 -0.85 0.00 2.07 -1.30 -1.35 116.25 116.01 3kox h VAL 405 Ca 0.31 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 67.03 3kox h VAL 405 Cb 0.55 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3kox h VAL 405 CO -0.75 0.27 0.55 -0.33 0.02 0.00 0.00 177.57 177.33 3kox h GLU 406 N 0.15 0.89 -0.39 1.57 5.08 -0.80 -0.25 114.58 120.82 3kox h GLU 406 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kox h GLU 406 Cb 0.39 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kox h GLU 406 CO 0.01 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.65 3kox n GLN 407 N -4.49 1.65 -2.19 2.33 6.02 0.78 -4.64 117.38 116.83 3kox n GLN 407 Ca 0.13 -0.79 -0.12 0.00 -0.01 0.00 0.00 57.00 56.21 3kox n GLN 407 Cb 0.23 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 3kox n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kox n GLY 408 N 0.66 -0.07 0.28 1.08 0.00 -0.11 -4.91 105.19 102.12 3kox n GLY 408 Ca 0.07 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3kox n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kox h PHE 409 N 0.00 0.00 -3.31 1.61 -1.00 -1.45 -3.38 116.94 109.41 3kox h PHE 409 Ca -0.29 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.83 3kox h PHE 409 Cb 1.20 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.63 3kox h PHE 409 CO 0.33 0.04 -0.63 -0.06 -1.61 0.00 0.00 178.31 176.37 3kox s PHE 410 N -4.56 3.10 -1.15 -0.55 0.08 -1.26 -4.31 117.98 109.32 3kox s PHE 410 Ca -0.04 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.08 3kox s PHE 410 Cb 0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 3kox s PHE 410 CO 0.57 0.48 0.00 0.28 -0.10 0.00 0.00 175.22 176.45 3kox n VAL 411 N 1.14 -0.37 -3.12 -0.44 0.31 -1.26 -2.12 118.33 112.46 3kox n VAL 411 Ca -0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.81 3kox n VAL 411 Cb 0.52 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.64 3kox n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kox s ASP 412 N -2.60 7.22 0.00 4.52 2.15 -1.26 -3.98 116.67 122.71 3kox s ASP 412 Ca 0.00 1.45 0.30 0.00 0.43 0.00 0.00 52.55 54.73 3kox s ASP 412 Cb 0.00 -2.43 1.64 0.00 -0.30 0.00 0.00 42.92 41.83 3kox s ASP 412 CO 0.00 0.22 2.08 -1.54 -0.17 0.00 0.00 175.17 175.76 3kox n SER 413 N 1.57 0.00 -4.85 -0.34 3.41 -1.26 -4.88 113.62 107.26 3kox n SER 413 Ca -0.07 -0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 57.72 3kox n SER 413 Cb 0.50 -0.15 0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3kox n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kox s GLY 414 N -2.30 1.62 -0.82 5.00 0.00 -1.26 -4.77 107.32 104.79 3kox s GLY 414 Ca 0.36 -0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.54 3kox s GLY 414 CO 0.40 0.05 0.93 -0.47 0.00 0.00 0.00 173.10 174.01 3kox s TYR 415 N -3.33 3.27 0.00 1.90 5.04 -1.24 -4.69 117.35 118.31 3kox s TYR 415 Ca 0.60 -1.46 -0.34 0.00 -2.44 0.00 0.00 57.07 53.43 3kox s TYR 415 Cb -0.12 -4.09 -0.17 0.00 0.35 0.00 0.00 41.96 37.93 3kox s TYR 415 CO 0.52 -1.30 0.91 0.98 -1.34 0.00 0.00 175.55 175.32 3kox n TYR 416 N 5.76 0.53 1.45 4.97 9.36 -1.26 -1.46 117.16 136.51 3kox n TYR 416 Ca 0.13 0.91 0.14 0.00 3.32 0.00 0.00 57.90 62.40 3kox n TYR 416 Cb 0.47 -1.80 0.60 0.00 -0.63 0.00 0.00 39.34 37.98 3kox n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kox n PRO 417 N 1.28 0.85 -1.62 2.98 -0.05 -1.26 -4.93 135.00 132.26 3kox n PRO 417 Ca 0.17 -0.33 -0.49 0.00 -0.05 0.00 0.00 63.50 62.80 3kox n PRO 417 Cb 0.07 -1.49 -0.05 0.00 -0.05 0.00 0.00 33.50 31.98 3kox n PRO 417 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3kox n GLU 418 N -0.79 1.50 -4.44 0.54 2.13 -0.54 -4.96 120.64 114.08 3kox n GLU 418 Ca 0.16 0.54 -0.25 0.00 0.66 0.00 0.00 57.16 58.27 3kox n GLU 418 Cb 0.28 -2.18 -0.17 0.00 0.27 0.00 0.00 31.44 29.64 3kox n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kox s ARG 419 N 0.31 1.61 0.00 5.31 3.52 -1.26 -3.59 118.95 124.85 3kox s ARG 419 Ca 0.79 -0.37 0.24 0.00 -0.13 0.00 0.00 55.73 56.26 3kox s ARG 419 Cb -0.83 -1.40 0.27 0.00 -1.56 0.00 0.00 34.95 31.43 3kox s ARG 419 CO 0.46 -0.03 1.25 0.09 -0.81 0.00 0.00 175.30 176.25 3kox n ASN 420 N 4.02 0.65 0.00 -2.12 3.02 -1.26 -4.93 115.26 114.64 3kox n ASN 420 Ca -0.21 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3kox n ASN 420 Cb 0.51 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 3kox n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kox n GLY 421 N 1.49 0.76 1.53 7.41 0.00 -1.26 -4.96 105.19 110.16 3kox n GLY 421 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3kox n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kox n ASP 422 N 0.00 4.72 -4.64 1.61 5.68 -1.26 -5.01 116.55 117.64 3kox n ASP 422 Ca 0.00 -2.50 -0.29 0.00 -0.50 0.00 0.00 54.79 51.50 3kox n ASP 422 Cb 0.00 -0.57 0.19 0.00 -1.14 0.00 0.00 41.12 39.60 3kox n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kox s GLY 423 N -0.98 1.57 0.20 6.12 0.00 -1.26 -4.70 107.32 108.28 3kox s GLY 423 Ca 0.50 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 3kox s GLY 423 CO 0.23 0.36 0.92 -0.42 0.00 0.00 0.00 173.10 174.19 3kox s ILE 424 N -2.85 4.19 -0.13 0.90 -1.09 -0.90 -4.91 121.20 116.41 3kox s ILE 424 Ca 0.66 2.04 0.02 0.00 -2.23 0.00 0.00 60.65 61.13 3kox s ILE 424 Cb -0.20 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 3kox s ILE 424 CO 0.59 0.47 -0.17 0.00 -1.23 0.00 0.00 174.94 174.60 3kox s ALA 425 N -0.94 1.91 0.06 9.38 0.00 -1.26 -4.14 121.76 126.76 3kox s ALA 425 Ca 0.41 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3kox s ALA 425 Cb -0.25 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3kox s ALA 425 CO 0.31 -0.13 0.08 1.03 0.00 0.00 0.00 175.76 177.04 3kox s ARG 426 N 1.05 2.91 -0.30 0.00 1.81 -1.22 -4.99 118.95 118.20 3kox s ARG 426 Ca -0.04 -0.65 -0.16 0.00 -1.72 0.00 0.00 55.73 53.16 3kox s ARG 426 Cb -0.15 -2.75 -0.03 0.00 -0.45 0.00 0.00 34.95 31.58 3kox s ARG 426 CO -0.04 0.58 0.40 -0.65 -0.68 0.00 0.00 175.30 174.91 3kox s GLN 427 N -2.25 3.84 0.43 3.54 1.11 -1.26 -3.68 119.66 121.39 3kox s GLN 427 Ca 0.28 -0.09 0.23 0.00 0.01 0.00 0.00 55.36 55.79 3kox s GLN 427 Cb -0.12 -3.72 1.22 0.00 -1.01 0.00 0.00 33.01 29.38 3kox s GLN 427 CO 0.20 -0.40 1.75 0.97 0.01 0.00 0.00 175.29 177.83 3kox h ILE 428 N 5.46 0.44 -0.00 1.08 2.10 -1.98 0.92 117.51 125.53 3kox h ILE 428 Ca -0.30 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3kox h ILE 428 Cb 1.15 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 3kox h ILE 428 CO 0.68 0.05 -0.00 -0.46 -1.08 0.00 0.00 178.15 177.34 3kox n ASN 429 N -4.57 0.00 -2.01 2.19 6.94 -1.26 -4.70 115.26 111.85 3kox n ASN 429 Ca 0.27 0.40 -0.01 0.00 -0.02 0.00 0.00 54.58 55.22 3kox n ASN 429 Cb 1.02 -0.47 -0.00 0.00 -2.36 0.00 0.00 39.78 37.97 3kox n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kox n GLY 430 N 1.47 4.18 2.20 4.83 0.00 0.32 -4.71 105.19 113.48 3kox n GLY 430 Ca 0.08 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3kox n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kox n GLY 431 N 4.67 -2.51 3.68 -0.02 0.00 -1.26 -4.13 105.19 105.62 3kox n GLY 431 Ca -0.00 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3kox n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kox s ILE 432 N -0.52 3.73 0.00 -0.61 -1.09 -0.31 -2.39 121.20 120.00 3kox s ILE 432 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 3kox s ILE 432 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 3kox s ILE 432 CO 0.00 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 3kox n GLY 433 N 3.81 0.52 3.71 6.18 0.00 -1.26 -0.51 105.19 117.64 3kox n GLY 433 Ca 0.15 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3kox n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox s ALA 434 N -2.00 3.76 0.00 4.61 0.00 -1.01 -2.99 121.76 124.13 3kox s ALA 434 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3kox s ALA 434 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3kox s ALA 434 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3kox n GLY 435 N 3.78 0.68 0.56 0.00 0.00 -1.26 -4.97 105.19 103.98 3kox n GLY 435 Ca 0.14 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.50 3kox n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kox n THR 436 N -3.16 1.82 -3.40 2.61 -2.24 -1.16 -4.98 114.28 103.77 3kox n THR 436 Ca 0.00 -1.71 -0.38 0.00 -2.27 0.00 0.00 64.05 59.69 3kox n THR 436 Cb 0.27 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 3kox n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kox s VAL 437 N -2.31 5.21 -0.04 2.28 1.01 -1.26 -5.03 120.40 120.26 3kox s VAL 437 Ca 0.32 0.68 0.06 0.00 0.00 0.00 0.00 61.98 63.04 3kox s VAL 437 Cb 0.25 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3kox s VAL 437 CO 0.08 0.26 -0.23 -0.36 0.00 0.00 0.00 175.10 174.86 3kox s PHE 438 N 1.25 2.15 0.18 5.22 0.08 -1.26 -5.10 117.98 120.50 3kox s PHE 438 Ca 0.19 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 3kox s PHE 438 Cb -0.15 -1.41 -0.08 0.00 -0.57 0.00 0.00 43.02 40.81 3kox s PHE 438 CO 0.08 -0.15 1.26 -2.00 -0.10 0.00 0.00 175.22 174.31 3kox s GLU 439 N -0.23 4.43 0.18 0.44 2.12 -1.26 -4.99 118.70 119.39 3kox s GLU 439 Ca 0.00 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 57.00 3kox s GLU 439 Cb -0.12 -3.22 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 3kox s GLU 439 CO 0.02 -0.19 1.07 1.03 -0.54 0.00 0.00 175.26 176.65 3kox s ARG 440 N -0.06 4.63 0.60 4.30 0.52 -1.26 -5.04 118.95 122.64 3kox s ARG 440 Ca 0.55 1.67 -0.03 0.00 -0.52 0.00 0.00 55.73 57.41 3kox s ARG 440 Cb -0.34 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 31.87 3kox s ARG 440 CO 0.37 0.14 0.87 -0.51 0.02 0.00 0.00 175.30 176.18 3kox s ASP 441 N -0.24 5.26 0.49 0.23 1.01 -1.26 -4.94 116.67 117.22 3kox s ASP 441 Ca 0.48 0.33 0.16 0.00 0.71 0.00 0.00 52.55 54.22 3kox s ASP 441 Cb -0.28 -1.20 1.17 0.00 1.01 0.00 0.00 42.92 43.62 3kox s ASP 441 CO 0.34 -1.22 2.09 1.05 0.21 0.00 0.00 175.17 177.64 3kox h GLU 442 N -0.16 0.00 -0.65 8.23 9.09 -2.01 -0.27 114.58 128.81 3kox h GLU 442 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3kox h GLU 442 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3kox h GLU 442 CO 0.57 0.08 0.00 -0.40 0.05 0.00 0.00 179.01 179.31 3kox n ASP 443 N -4.43 4.00 -4.65 3.06 5.75 -1.26 -4.75 116.55 114.28 3kox n ASP 443 Ca -0.03 -2.25 -0.46 0.00 -0.01 0.00 0.00 54.79 52.04 3kox n ASP 443 Cb 0.15 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 3kox n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kox n TYR 444 N 1.15 2.04 -3.78 2.11 9.36 -0.12 -4.87 117.16 123.06 3kox n TYR 444 Ca 0.23 0.43 -0.13 0.00 3.32 0.00 0.00 57.90 61.75 3kox n TYR 444 Cb 0.71 -2.45 -0.10 0.00 -0.63 0.00 0.00 39.34 36.87 3kox n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kox s MET 445 N 0.08 0.53 -0.16 2.98 -2.45 -1.26 -1.18 119.30 117.83 3kox s MET 445 Ca 0.73 -0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 55.13 3kox s MET 445 Cb -0.71 0.24 0.05 0.00 1.25 0.00 0.00 34.83 35.66 3kox s MET 445 CO 0.46 -0.12 0.04 0.00 1.05 0.00 0.00 175.02 176.45 3kox s ALA 446 N -0.82 0.79 -1.51 4.11 0.00 -1.26 -5.01 121.76 118.05 3kox s ALA 446 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 3kox s ALA 446 Cb -0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3kox s ALA 446 CO 0.02 -1.01 2.69 -0.35 0.00 0.00 0.00 175.76 177.11 3kox n PRO 447 N 5.13 3.86 -3.68 0.00 -0.04 -1.26 -4.86 135.00 134.14 3kox n PRO 447 Ca -0.08 -2.65 -0.11 0.00 -0.04 0.00 0.00 63.50 60.62 3kox n PRO 447 Cb 0.48 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 3kox n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kox s VAL 448 N 1.28 0.07 0.46 0.52 -7.23 -1.26 -4.14 120.40 110.11 3kox s VAL 448 Ca 0.62 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 3kox s VAL 448 Cb 0.17 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.93 3kox s VAL 448 CO -0.07 -0.34 0.97 -0.89 -0.31 0.00 0.00 175.10 174.46 3kox s THR 449 N -3.22 4.31 -0.32 5.32 2.01 -1.26 -4.35 115.64 118.13 3kox s THR 449 Ca -0.01 1.38 -0.01 0.00 0.31 0.00 0.00 61.69 63.37 3kox s THR 449 Cb 0.01 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3kox s THR 449 CO -0.08 -0.37 0.07 0.00 -0.69 0.00 0.00 174.62 173.56 3kox n ALA 450 N -0.87 -0.16 -2.78 7.40 0.00 -1.26 -5.03 120.51 117.81 3kox n ALA 450 Ca 0.07 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 3kox n ALA 450 Cb 0.54 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 3kox n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kox s HIS 451 N -2.48 3.38 -0.17 0.00 5.04 -1.26 -4.20 115.29 115.60 3kox s HIS 451 Ca 0.04 0.36 -0.16 0.00 -1.54 0.00 0.00 55.06 53.76 3kox s HIS 451 Cb -0.02 -1.87 -0.12 0.00 0.04 0.00 0.00 32.58 30.62 3kox s HIS 451 CO 0.05 0.60 0.08 0.35 -2.34 0.00 0.00 174.74 173.47 3kox h PHE 452 N 5.09 0.00 -3.13 3.88 3.57 -1.89 -3.49 116.94 120.96 3kox h PHE 452 Ca -0.53 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.62 3kox h PHE 452 Cb 1.21 0.00 0.18 0.00 2.79 0.00 0.00 35.95 40.13 3kox h PHE 452 CO 0.69 0.79 0.08 0.41 -2.23 0.00 0.00 178.31 178.06 3kox n GLY 453 N 1.53 -2.87 3.70 2.40 0.00 -1.26 -4.91 105.19 103.78 3kox n GLY 453 Ca -0.19 -1.47 -0.55 0.00 0.00 0.00 0.00 46.02 43.81 3kox n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kox n TYR 454 N -4.72 2.09 -3.90 1.61 9.36 -1.26 -4.94 117.16 115.39 3kox n TYR 454 Ca 0.14 0.40 -0.28 0.00 3.32 0.00 0.00 57.90 61.48 3kox n TYR 454 Cb 0.53 -2.50 -0.16 0.00 -0.63 0.00 0.00 39.34 36.57 3kox n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kox s ASN 455 N 3.41 2.77 -1.01 2.98 3.84 -1.26 -4.80 114.94 120.88 3kox s ASN 455 Ca 0.96 -0.62 -0.15 0.00 0.21 0.00 0.00 52.86 53.25 3kox s ASN 455 Cb -0.96 -0.93 0.18 0.00 -0.55 0.00 0.00 41.25 38.99 3kox s ASN 455 CO 0.60 -0.17 1.13 0.21 -2.79 0.00 0.00 177.10 176.09 3kox s ASN 456 N 1.62 6.88 0.10 -4.21 2.47 -0.33 -4.71 114.94 116.77 3kox s ASN 456 Ca 0.01 -2.66 0.23 0.00 0.42 0.00 0.00 52.86 50.87 3kox s ASN 456 Cb -0.15 -2.33 0.04 0.00 -1.45 0.00 0.00 41.25 37.36 3kox s ASN 456 CO -0.08 -0.77 1.02 0.52 -3.72 0.00 0.00 177.10 174.08 3kox n VAL 457 N 4.55 0.32 -0.31 -5.21 0.31 -1.26 -4.28 118.33 112.44 3kox n VAL 457 Ca 0.25 -0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.28 3kox n VAL 457 Cb 0.46 -0.04 0.27 0.00 -0.91 0.00 0.00 33.84 33.62 3kox n VAL 457 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kox h LYS 458 N 0.00 0.92 0.00 5.55 1.63 -1.84 0.26 116.57 123.09 3kox h LYS 458 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3kox h LYS 458 Cb 0.84 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3kox h LYS 458 CO 0.00 0.61 0.00 0.00 -3.45 0.00 0.00 179.45 176.61 3kox n GLN 459 N -4.54 0.04 -0.01 1.90 10.64 -1.26 -2.75 117.38 121.40 3kox n GLN 459 Ca 0.16 0.45 -0.00 0.00 -1.83 0.00 0.00 57.00 55.77 3kox n GLN 459 Cb 0.29 -1.60 -0.03 0.00 -0.86 0.00 0.00 30.24 28.04 3kox n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kox n TYR 460 N -1.68 0.00 0.00 2.61 4.01 -0.07 -5.06 117.16 116.98 3kox n TYR 460 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3kox n TYR 460 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3kox n TYR 460 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kox n ASP 461 N -1.96 0.00 0.23 7.72 -0.08 -0.36 -5.03 116.55 117.07 3kox n ASP 461 Ca -0.04 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.33 3kox n ASP 461 Cb 0.43 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.42 3kox n ASP 461 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kox h GLU 462 N 0.00 0.00 0.00 -0.67 3.07 -1.78 -2.90 114.58 112.30 3kox h GLU 462 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3kox h GLU 462 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3kox h GLU 462 CO 0.00 0.24 -0.44 0.00 -1.40 0.00 0.00 179.01 177.41 3kox h ALA 463 N 1.76 1.17 -0.13 3.43 0.00 -1.95 -2.83 119.26 120.72 3kox h ALA 463 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kox h ALA 463 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kox h ALA 463 CO 0.03 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3kox n LEU 464 N -3.86 1.63 -0.34 0.00 4.32 -1.10 -4.45 117.00 113.20 3kox n LEU 464 Ca -0.01 -0.65 0.13 0.00 -0.02 0.00 0.00 56.01 55.46 3kox n LEU 464 Cb 0.48 -0.08 0.34 0.00 -1.62 0.00 0.00 43.42 42.54 3kox n LEU 464 CO 0.39 0.32 1.20 0.58 -1.22 0.00 0.00 177.39 178.66 3kox h VAL 465 N 2.26 0.71 -0.00 4.08 2.07 -1.59 0.34 116.25 124.12 3kox h VAL 465 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kox h VAL 465 Cb 0.49 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3kox h VAL 465 CO 0.00 0.14 -0.17 -1.54 0.02 0.00 0.00 177.57 176.02 3kox n SER 466 N -4.73 0.36 -3.14 0.57 3.41 -1.26 -4.37 113.62 104.45 3kox n SER 466 Ca 0.23 -0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 3kox n SER 466 Cb 0.58 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 3kox n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kox n GLU 467 N -1.21 0.85 0.28 4.33 -0.58 0.12 -5.01 120.64 119.42 3kox n GLU 467 Ca 0.11 -3.14 0.18 0.00 -0.42 0.00 0.00 57.16 53.88 3kox n GLU 467 Cb 0.31 -1.44 0.94 0.00 -0.57 0.00 0.00 31.44 30.68 3kox n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kox h PRO 468 N 3.50 0.00 0.00 3.49 0.11 -1.68 -1.13 132.00 136.30 3kox h PRO 468 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kox h PRO 468 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kox h PRO 468 CO 0.45 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 3kox n SER 469 N -3.33 0.00 0.12 -2.05 3.41 -1.26 -2.64 113.62 107.87 3kox n SER 469 Ca -0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3kox n SER 469 Cb 0.27 -0.33 0.30 0.00 -0.26 0.00 0.00 64.21 64.20 3kox n SER 469 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kox h LYS 470 N 0.00 0.19 -1.32 4.33 1.57 -1.53 0.43 116.57 120.24 3kox h LYS 470 Ca 0.00 -0.07 0.38 0.00 -1.87 0.00 0.00 60.65 59.09 3kox h LYS 470 Cb 0.27 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 3kox h LYS 470 CO 0.00 0.49 0.92 -0.07 -0.57 0.00 0.00 179.45 180.22 3kox h LEU 471 N 0.17 0.12 -2.89 2.94 4.07 -1.71 -1.74 115.31 116.27 3kox h LEU 471 Ca 0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3kox h LEU 471 Cb 0.64 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.40 3kox h LEU 471 CO 0.05 -0.01 -0.01 2.30 -1.08 0.00 0.00 178.44 179.68 3kox n ILE 472 N -4.29 1.22 -3.36 1.22 -5.35 -0.47 -5.02 119.36 103.32 3kox n ILE 472 Ca 0.31 -1.35 -0.17 0.00 -0.27 0.00 0.00 62.75 61.27 3kox n ILE 472 Cb 1.34 0.28 0.08 0.00 -1.74 0.00 0.00 39.64 39.61 3kox n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kox n ASP 473 N -0.77 -2.53 0.00 7.28 8.00 0.27 -4.75 116.55 124.05 3kox n ASP 473 Ca 0.05 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3kox n ASP 473 Cb 0.40 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 3kox n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kox n GLY 474 N -1.22 -1.05 3.96 0.44 0.00 0.12 -4.93 105.19 102.52 3kox n GLY 474 Ca -0.24 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3kox n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h THR 476 N -0.93 0.26 -0.14 0.00 1.35 -1.95 0.54 112.91 112.04 3kox h THR 476 Ca -0.41 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.38 3kox h THR 476 Cb 1.27 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3kox h THR 476 CO 0.44 0.00 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.40 3kox h LEU 477 N 0.00 0.24 0.00 3.87 3.38 -1.95 -2.87 115.31 117.98 3kox h LEU 477 Ca 0.18 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3kox h LEU 477 Cb 1.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3kox h LEU 477 CO -0.00 0.49 -1.84 -0.62 0.09 0.00 0.00 178.44 176.56 3kox n GLU 478 N -4.18 0.65 -3.10 1.13 4.71 0.15 -4.72 120.64 115.28 3kox n GLU 478 Ca -0.01 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.16 56.90 3kox n GLU 478 Cb 0.35 -1.62 -0.03 0.00 -1.01 0.00 0.00 31.44 29.13 3kox n GLU 478 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kox n VAL 479 N -2.55 0.93 -0.28 2.62 0.31 0.96 -4.94 118.33 115.38 3kox n VAL 479 Ca -0.11 -4.92 0.23 0.00 -0.01 0.00 0.00 64.34 59.52 3kox n VAL 479 Cb 0.75 -0.64 0.36 0.00 -0.91 0.00 0.00 33.84 33.40 3kox n VAL 479 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kox n PRO 480 N 0.10 -0.01 -0.29 5.55 -0.01 -1.09 0.01 135.00 139.27 3kox n PRO 480 Ca 0.27 0.58 0.23 0.00 -0.01 0.00 0.00 63.50 64.57 3kox n PRO 480 Cb 0.57 -1.22 0.54 0.00 -0.01 0.00 0.00 33.50 33.38 3kox n PRO 480 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3kox h GLU 481 N 0.00 0.33 0.00 -0.52 3.07 -1.93 -2.06 114.58 113.47 3kox h GLU 481 Ca 0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3kox h GLU 481 Cb 1.59 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 3kox h GLU 481 CO -0.14 0.22 0.00 1.63 -1.40 0.00 0.00 179.01 179.32 3kox n LYS 482 N -4.52 0.04 -2.04 2.33 5.02 0.10 -4.85 118.16 114.23 3kox n LYS 482 Ca 0.23 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.22 3kox n LYS 482 Cb 0.85 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 3kox n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kox s ILE 483 N -2.95 2.66 -0.40 -0.18 1.01 -0.78 -4.95 121.20 115.61 3kox s ILE 483 Ca 0.12 0.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 3kox s ILE 483 Cb 0.14 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3kox s ILE 483 CO 0.39 0.11 0.42 -0.69 0.00 0.00 0.00 174.94 175.18 3kox s VAL 484 N -0.44 5.10 -0.21 2.92 1.01 -1.26 -5.04 120.40 122.49 3kox s VAL 484 Ca 0.55 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 3kox s VAL 484 Cb -0.41 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3kox s VAL 484 CO 0.48 -0.32 0.60 -0.47 0.00 0.00 0.00 175.10 175.38 3kox s TYR 485 N 2.12 3.36 -0.22 5.22 5.04 -1.26 -5.06 117.35 126.55 3kox s TYR 485 Ca 0.12 0.87 -0.06 0.00 -2.44 0.00 0.00 57.07 55.56 3kox s TYR 485 Cb -0.17 -2.77 -0.03 0.00 0.35 0.00 0.00 41.96 39.34 3kox s TYR 485 CO 0.13 -0.18 0.04 0.42 -1.34 0.00 0.00 175.55 174.62 3kox s ILE 486 N 1.92 4.20 0.00 3.14 1.01 -1.26 -5.05 121.20 125.16 3kox s ILE 486 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3kox s ILE 486 Cb -0.16 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3kox s ILE 486 CO 0.10 0.38 0.20 -0.67 0.00 0.00 0.00 174.94 174.95 3kox n ASP 487 N 4.55 0.00 -4.00 3.58 2.03 -1.26 -4.20 116.55 117.25 3kox n ASP 487 Ca -0.17 0.20 -0.16 0.00 0.52 0.00 0.00 54.79 55.18 3kox n ASP 487 Cb 0.52 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 3kox n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kox s GLU 488 N -0.40 0.53 -0.12 -0.67 0.41 -1.26 -2.98 118.70 114.22 3kox s GLU 488 Ca 0.00 -0.35 0.17 0.00 -0.41 0.00 0.00 54.97 54.37 3kox s GLU 488 Cb 0.00 -0.48 -0.24 0.00 -1.78 0.00 0.00 34.13 31.63 3kox s GLU 488 CO 0.00 0.12 0.19 1.28 -0.49 0.00 0.00 175.26 176.37 3kox n LEU 489 N 2.60 0.00 -4.25 1.80 4.77 -1.26 -4.91 117.00 115.74 3kox n LEU 489 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 3kox n LEU 489 Cb 0.57 0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.78 3kox n LEU 489 CO 0.24 0.27 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.51 3kox s ASP 490 N -4.77 3.85 0.00 -1.43 -1.08 -1.26 -5.02 116.67 106.96 3kox s ASP 490 Ca -0.08 -0.48 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3kox s ASP 490 Cb 0.08 -1.63 1.35 0.00 -1.46 0.00 0.00 42.92 41.25 3kox s ASP 490 CO 0.74 0.01 1.91 -1.84 0.52 0.00 0.00 175.17 176.51 3kox n GLU 491 N 4.59 1.37 -0.11 4.34 -0.00 -1.26 -4.09 120.64 125.47 3kox n GLU 491 Ca -0.19 -0.58 -0.23 0.00 -0.00 0.00 0.00 57.16 56.15 3kox n GLU 491 Cb 0.51 -1.49 -0.09 0.00 -0.00 0.00 0.00 31.44 30.37 3kox n GLU 491 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3kox n ASN 492 N -0.31 1.73 -4.38 -1.84 5.03 -1.26 -4.82 115.26 109.41 3kox n ASN 492 Ca 0.20 0.22 -0.45 0.00 0.87 0.00 0.00 54.58 55.42 3kox n ASN 492 Cb 0.27 -0.63 -0.01 0.00 -1.02 0.00 0.00 39.78 38.39 3kox n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kox s ASP 493 N -6.93 7.07 0.28 6.41 2.15 -1.26 -4.73 116.67 119.66 3kox s ASP 493 Ca -0.32 -3.08 -0.09 0.00 0.43 0.00 0.00 52.55 49.49 3kox s ASP 493 Cb 0.12 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3kox s ASP 493 CO 0.42 -0.54 0.46 0.54 -0.17 0.00 0.00 175.17 175.88 3kox s ASN 494 N 2.11 0.25 0.46 -0.34 2.20 -1.26 -3.84 114.94 114.52 3kox s ASN 494 Ca 0.31 -1.16 0.14 0.00 -0.94 0.00 0.00 52.86 51.21 3kox s ASN 494 Cb -0.08 0.61 1.04 0.00 -2.00 0.00 0.00 41.25 40.82 3kox s ASN 494 CO -0.07 -1.19 2.03 1.62 -2.94 0.00 0.00 177.10 176.55 3kox h VAL 495 N 2.23 1.10 0.01 3.54 3.04 -1.92 -2.93 116.25 121.33 3kox h VAL 495 Ca -0.28 -0.46 -0.21 0.00 -1.01 0.00 0.00 66.70 64.74 3kox h VAL 495 Cb 1.25 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3kox h VAL 495 CO 0.38 0.14 -0.92 0.78 -1.01 0.00 0.00 177.57 176.94 3kox h ASN 496 N 0.04 0.28 -0.64 3.17 2.35 -1.95 -1.85 115.58 116.98 3kox h ASN 496 Ca 0.01 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 3kox h ASN 496 Cb 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3kox h ASN 496 CO 0.02 1.06 0.08 0.58 -1.65 0.00 0.00 177.43 177.51 3kox h VAL 497 N 0.11 1.26 -0.62 2.81 2.07 -1.80 -0.91 116.25 119.17 3kox h VAL 497 Ca -0.05 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 3kox h VAL 497 Cb 1.56 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3kox h VAL 497 CO 0.14 0.39 0.02 0.03 0.02 0.00 0.00 177.57 178.18 3kox h ARG 498 N 0.99 1.07 -0.41 1.57 3.08 -1.47 -2.55 114.38 116.66 3kox h ARG 498 Ca 0.19 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 3kox h ARG 498 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3kox h ARG 498 CO 0.02 1.03 -0.06 0.52 -1.07 0.00 0.00 179.97 180.41 3kox h MET 499 N 0.98 0.77 0.00 0.04 2.86 -1.12 -2.32 114.93 116.14 3kox h MET 499 Ca 0.18 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3kox h MET 499 Cb 0.53 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3kox h MET 499 CO 0.03 0.88 -0.06 1.49 1.06 0.00 0.00 176.91 180.31 3kox h GLU 500 N 0.59 0.00 0.00 1.72 4.22 -1.09 -1.91 114.58 118.12 3kox h GLU 500 Ca 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.47 3kox h GLU 500 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3kox h GLU 500 CO 0.03 0.06 -0.38 0.93 -2.18 0.00 0.00 179.01 177.47 3kox h GLU 501 N 0.00 0.00 0.00 1.92 4.39 -0.98 -3.25 114.58 116.66 3kox h GLU 501 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kox h GLU 501 Cb 0.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3kox h GLU 501 CO 0.01 0.38 -0.44 0.25 -1.16 0.00 0.00 179.01 178.05 3kox n THR 502 N -4.01 1.91 -0.34 1.13 -2.24 -0.94 -4.80 114.28 104.98 3kox n THR 502 Ca -0.02 -2.78 0.02 0.00 -2.27 0.00 0.00 64.05 59.00 3kox n THR 502 Cb 0.42 -0.12 0.16 0.00 -2.10 0.00 0.00 70.33 68.69 3kox n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kox h LYS 503 N 0.76 1.06 0.04 -0.78 1.57 -1.40 -3.14 116.57 114.69 3kox h LYS 503 Ca -0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3kox h LYS 503 Cb 1.08 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3kox h LYS 503 CO 0.01 0.70 -0.32 1.05 -0.57 0.00 0.00 179.45 180.32 3kox h GLU 504 N 1.09 -0.41 0.00 3.15 9.09 -1.87 -2.51 114.58 123.13 3kox h GLU 504 Ca 0.41 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3kox h GLU 504 Cb 0.16 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3kox h GLU 504 CO -0.17 -0.27 0.00 1.19 0.05 0.00 0.00 179.01 179.81 3kox n PHE 505 N -4.25 0.00 -1.69 2.06 3.01 -1.18 -4.04 117.46 111.37 3kox n PHE 505 Ca -0.05 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.47 3kox n PHE 505 Cb 0.24 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.85 3kox n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3kox n ARG 506 N 0.32 1.11 -0.20 -1.08 0.63 -0.95 -4.83 116.66 111.66 3kox n ARG 506 Ca 0.00 -2.74 0.06 0.00 -0.92 0.00 0.00 57.85 54.25 3kox n ARG 506 Cb 0.00 -1.20 0.15 0.00 0.45 0.00 0.00 32.46 31.85 3kox n ARG 506 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3kox n SER 509 N -0.80 2.92 -4.94 6.15 3.41 -1.26 -5.10 113.62 114.00 3kox n SER 509 Ca 0.15 -2.35 -0.24 0.00 -0.26 0.00 0.00 58.87 56.17 3kox n SER 509 Cb 0.77 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3kox n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kox s MET 510 N -1.62 3.07 -0.01 4.33 -1.94 -1.26 -2.84 119.30 119.02 3kox s MET 510 Ca 0.24 -0.37 -0.04 0.00 -1.71 0.00 0.00 55.69 53.81 3kox s MET 510 Cb 0.17 -2.50 0.00 0.00 2.01 0.00 0.00 34.83 34.51 3kox s MET 510 CO 0.10 -0.34 0.09 0.42 -0.01 0.00 0.00 175.02 175.28 3kox s ILE 511 N -2.64 0.05 0.23 2.53 -1.09 0.13 -4.78 121.20 115.64 3kox s ILE 511 Ca 0.49 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.45 3kox s ILE 511 Cb -0.10 -0.28 -0.04 0.00 -1.58 0.00 0.00 42.46 40.46 3kox s ILE 511 CO 0.39 -0.25 0.18 -1.59 -1.23 0.00 0.00 174.94 172.45 3kox s LYS 512 N -0.81 1.32 0.71 2.79 -2.85 -1.26 -1.69 119.74 117.96 3kox s LYS 512 Ca -0.09 -1.67 -0.14 0.00 -1.00 0.00 0.00 55.97 53.07 3kox s LYS 512 Cb -0.05 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.04 3kox s LYS 512 CO 0.00 -0.45 1.14 -1.25 0.10 0.00 0.00 175.35 174.89 3kox s PRO 513 N -4.02 2.40 0.04 1.78 0.04 -1.26 -4.73 135.00 129.24 3kox s PRO 513 Ca 0.38 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 3kox s PRO 513 Cb 0.06 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 3kox s PRO 513 CO 0.14 -1.58 0.14 -1.83 0.04 0.00 0.00 177.00 173.91 3kox s GLU 514 N -4.18 0.62 -0.16 4.56 -1.05 -1.26 0.14 118.70 117.37 3kox s GLU 514 Ca 0.68 -0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 54.82 3kox s GLU 514 Cb -0.23 0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.62 3kox s GLU 514 CO 0.46 -0.17 -0.16 1.33 0.95 0.00 0.00 175.26 177.67 3kox n VAL 515 N 0.78 0.91 0.00 1.83 0.24 -1.26 -4.86 118.33 115.97 3kox n VAL 515 Ca -0.19 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3kox n VAL 515 Cb 0.58 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3kox n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kox n GLU 516 N -3.13 0.81 -4.96 7.34 0.28 -1.26 -0.85 120.64 118.88 3kox n GLU 516 Ca -0.29 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.43 3kox n GLU 516 Cb 0.79 -0.60 -0.16 0.00 1.43 0.00 0.00 31.44 32.89 3kox n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kox s TRP 517 N -1.20 1.99 -0.30 -1.84 0.51 -1.26 -4.72 118.94 112.10 3kox s TRP 517 Ca 0.00 -0.66 -0.28 0.00 -2.12 0.00 0.00 56.10 53.04 3kox s TRP 517 Cb 0.00 -1.34 -0.12 0.00 -0.81 0.00 0.00 33.47 31.20 3kox s TRP 517 CO 0.00 -0.25 1.14 0.94 -0.51 0.00 0.00 176.95 178.27 3kox n GLN 518 N 3.30 0.00 -2.09 4.98 7.27 -1.26 -0.47 117.38 129.11 3kox n GLN 518 Ca -0.19 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.67 3kox n GLN 518 Cb 0.53 -0.91 -0.04 0.00 2.41 0.00 0.00 30.24 32.22 3kox n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kox n ALA 519 N 3.50 -0.50 0.36 1.69 0.00 -1.26 -4.88 120.51 119.41 3kox n ALA 519 Ca 0.26 0.23 0.07 0.00 0.00 0.00 0.00 53.44 54.01 3kox n ALA 519 Cb -0.03 -2.13 0.32 0.00 0.00 0.00 0.00 19.45 17.61 3kox n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kox n ASP 520 N -1.75 0.20 0.00 0.00 5.68 0.38 -4.87 116.55 116.19 3kox n ASP 520 Ca -0.23 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 3kox n ASP 520 Cb 0.68 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3kox n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kox n GLY 521 N -0.38 1.28 3.77 6.12 0.00 0.12 -4.81 105.19 111.30 3kox n GLY 521 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3kox n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kox s THR 522 N -3.50 3.43 0.19 2.61 2.01 -1.25 -0.20 115.64 118.94 3kox s THR 522 Ca 0.00 1.19 -0.04 0.00 0.31 0.00 0.00 61.69 63.15 3kox s THR 522 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3kox s THR 522 CO 0.00 0.09 0.19 0.68 -0.69 0.00 0.00 174.62 174.89 3kox s VAL 523 N -1.48 0.02 0.01 3.82 -7.23 -0.76 -4.14 120.40 110.64 3kox s VAL 523 Ca 0.56 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 3kox s VAL 523 Cb -0.27 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 3kox s VAL 523 CO 0.34 -0.11 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.68 3kox s LEU 524 N -3.10 2.87 -0.09 1.32 2.96 -1.26 -2.93 118.68 118.45 3kox s LEU 524 Ca 0.32 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3kox s LEU 524 Cb 0.05 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3kox s LEU 524 CO 0.09 0.28 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.11 3kox s LEU 525 N -1.32 1.20 0.03 -0.68 2.96 -0.19 -4.99 118.68 115.69 3kox s LEU 525 Ca 0.15 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3kox s LEU 525 Cb -0.11 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3kox s LEU 525 CO 0.06 -0.09 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.87 3kox s THR 526 N 1.42 2.35 0.06 3.68 2.01 -1.26 -1.25 115.64 122.64 3kox s THR 526 Ca -0.01 -1.24 -0.27 0.00 0.31 0.00 0.00 61.69 60.48 3kox s THR 526 Cb -0.13 -1.92 0.07 0.00 0.01 0.00 0.00 72.50 70.53 3kox s THR 526 CO -0.04 0.42 0.65 0.00 -0.69 0.00 0.00 174.62 174.95 3kox s MET 527 N -1.14 1.17 -0.04 4.92 0.00 -0.71 -5.03 119.30 118.48 3kox s MET 527 Ca 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 55.69 55.71 3kox s MET 527 Cb -0.10 0.54 -0.03 0.00 0.00 0.00 0.00 34.83 35.24 3kox s MET 527 CO 0.02 -0.45 -0.16 0.12 0.00 0.00 0.00 175.02 174.56 3kox s PHE 528 N -2.59 2.66 -0.04 3.16 5.36 -1.26 -1.15 117.98 124.11 3kox s PHE 528 Ca -0.04 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 3kox s PHE 528 Cb -0.01 -1.61 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 3kox s PHE 528 CO -0.03 0.17 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.32 3kox s LEU 529 N -0.76 1.56 -1.41 6.12 1.43 -0.96 -5.00 118.68 119.66 3kox s LEU 529 Ca 0.12 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3kox s LEU 529 Cb -0.11 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.64 3kox s LEU 529 CO 0.01 0.00 2.10 -0.81 0.23 0.00 0.00 176.35 177.88 3kox n PRO 530 N 3.70 2.98 -3.65 1.29 -0.04 -1.26 -1.78 135.00 136.24 3kox n PRO 530 Ca -0.22 -2.81 -0.05 0.00 -0.04 0.00 0.00 63.50 60.37 3kox n PRO 530 Cb 0.52 -3.29 -0.02 0.00 -0.04 0.00 0.00 33.50 30.67 3kox n PRO 530 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kox s THR 531 N 3.13 0.00 0.93 0.52 -1.32 -1.25 -4.71 115.64 112.94 3kox s THR 531 Ca 0.48 -0.40 -0.12 0.00 -1.21 0.00 0.00 61.69 60.44 3kox s THR 531 Cb 0.12 -1.60 0.07 0.00 -1.51 0.00 0.00 72.50 69.57 3kox s THR 531 CO -0.05 0.00 0.64 -1.54 -2.21 0.00 0.00 174.62 171.46 3kox n SER 532 N -0.39 -1.31 0.03 8.08 3.41 -1.25 -3.64 113.62 118.55 3kox n SER 532 Ca -0.07 0.36 -0.05 0.00 -0.26 0.00 0.00 58.87 58.85 3kox n SER 532 Cb 0.61 -1.29 0.16 0.00 -0.26 0.00 0.00 64.21 63.43 3kox n SER 532 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kox h LYS 533 N -1.63 0.45 0.71 4.33 2.10 -1.92 -0.96 116.57 119.66 3kox h LYS 533 Ca -0.43 -0.21 -0.04 0.00 -2.00 0.00 0.00 60.65 57.97 3kox h LYS 533 Cb 1.28 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.61 3kox h LYS 533 CO 0.37 0.75 -0.34 -0.09 -2.00 0.00 0.00 179.45 178.13 3kox h ARG 534 N 0.38 -0.92 -0.74 0.07 2.43 -1.98 0.19 114.38 113.81 3kox h ARG 534 Ca 0.04 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.40 3kox h ARG 534 Cb 0.81 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.49 3kox h ARG 534 CO 0.07 -0.62 0.32 0.28 -1.51 0.00 0.00 179.97 178.51 3kox h VAL 535 N -1.03 0.73 -0.49 0.20 2.07 -1.92 -1.29 116.25 114.51 3kox h VAL 535 Ca -0.10 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3kox h VAL 535 Cb 0.74 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3kox h VAL 535 CO 0.16 0.09 0.19 0.00 0.02 0.00 0.00 177.57 178.04 3kox h ALA 536 N 1.50 0.60 -0.09 1.67 0.00 -1.00 0.91 119.26 122.86 3kox h ALA 536 Ca 0.39 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.39 3kox h ALA 536 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3kox h ALA 536 CO -0.35 -0.19 -0.19 1.49 0.00 0.00 0.00 179.25 180.01 3kox h GLU 537 N 0.39 -0.25 -0.37 0.00 4.81 0.48 0.19 114.58 119.82 3kox h GLU 537 Ca 0.23 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3kox h GLU 537 Cb 0.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3kox h GLU 537 CO -0.22 -0.17 0.02 0.74 -0.73 0.00 0.00 179.01 178.65 3kox h PHE 538 N -0.26 0.70 -0.51 0.92 0.04 -0.43 -1.19 116.94 116.21 3kox h PHE 538 Ca 0.09 -0.12 0.08 0.00 2.80 0.00 0.00 57.97 60.82 3kox h PHE 538 Cb 0.38 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 3kox h PHE 538 CO -0.28 0.73 0.14 0.00 -0.60 0.00 0.00 178.31 178.30 3kox h ALA 539 N 0.88 0.61 -0.97 2.45 0.00 0.10 -1.48 119.26 120.85 3kox h ALA 539 Ca 0.11 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3kox h ALA 539 Cb 0.44 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3kox h ALA 539 CO 0.02 -0.26 0.62 0.00 0.00 0.00 0.00 179.25 179.62 3kox h ALA 540 N 1.37 1.52 -0.66 0.00 0.00 0.10 -0.02 119.26 121.57 3kox h ALA 540 Ca 0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kox h ALA 540 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kox h ALA 540 CO -0.30 0.29 0.27 0.82 0.00 0.00 0.00 179.25 180.33 3kox h ILE 541 N 1.02 1.24 -0.23 0.00 2.04 -0.22 -2.15 117.51 119.21 3kox h ILE 541 Ca 0.45 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3kox h ILE 541 Cb 0.35 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3kox h ILE 541 CO -0.20 0.30 0.00 -0.33 0.00 0.00 0.00 178.15 177.91 3kox h GLU 542 N 0.93 0.40 -0.79 2.37 4.39 -0.42 -0.53 114.58 120.94 3kox h GLU 542 Ca 0.22 -0.13 0.11 0.00 0.34 0.00 0.00 59.36 59.91 3kox h GLU 542 Cb 0.21 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 3kox h GLU 542 CO -0.02 0.58 0.41 0.74 -1.16 0.00 0.00 179.01 179.56 3kox h PHE 543 N 0.17 0.72 -0.75 4.33 0.04 -1.28 0.41 116.94 120.58 3kox h PHE 543 Ca 0.06 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 3kox h PHE 543 Cb 0.40 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3kox h PHE 543 CO 0.03 0.23 0.24 0.00 -0.60 0.00 0.00 178.31 178.22 3kox h ALA 544 N 1.48 0.98 0.55 2.45 0.00 -1.06 -2.18 119.26 121.49 3kox h ALA 544 Ca 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kox h ALA 544 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kox h ALA 544 CO -0.30 0.67 -0.47 0.87 0.00 0.00 0.00 179.25 180.02 3kox h LYS 545 N 1.12 -0.96 0.00 0.00 1.79 -0.23 -2.21 116.57 116.08 3kox h LYS 545 Ca 0.24 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3kox h LYS 545 Cb 0.31 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3kox h LYS 545 CO -0.01 -0.64 0.00 1.63 -1.08 0.00 0.00 179.45 179.35 3kox n LYS 546 N -5.56 0.02 -0.35 3.15 4.76 0.05 -0.64 118.16 119.60 3kox n LYS 546 Ca -0.12 0.14 0.09 0.00 -2.87 0.00 0.00 58.31 55.55 3kox n LYS 546 Cb 0.45 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.41 3kox n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kox n MET 547 N -1.14 2.95 -2.97 1.97 2.81 -0.84 -4.95 117.12 114.95 3kox n MET 547 Ca 0.01 -2.51 -0.15 0.00 -1.81 0.00 0.00 57.70 53.23 3kox n MET 547 Cb 0.01 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 3kox n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kox n ASN 548 N 1.12 -4.73 -4.77 7.83 3.02 0.19 -5.04 115.26 112.88 3kox n ASN 548 Ca 0.20 -0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 3kox n ASN 548 Cb 0.61 -3.47 -0.08 0.00 -0.61 0.00 0.00 39.78 36.23 3kox n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kox s LEU 549 N -4.85 3.92 0.22 3.41 1.43 -1.07 -4.30 118.68 117.45 3kox s LEU 549 Ca 0.28 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 3kox s LEU 549 Cb -0.13 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3kox s LEU 549 CO 0.35 0.34 -0.04 -1.61 0.23 0.00 0.00 176.35 175.62 3kox s GLU 550 N -1.27 2.21 -1.31 1.70 0.41 -0.46 -4.53 118.70 115.45 3kox s GLU 550 Ca 0.18 -1.33 -0.06 0.00 -0.41 0.00 0.00 54.97 53.35 3kox s GLU 550 Cb -0.12 -2.18 0.01 0.00 -1.78 0.00 0.00 34.13 30.06 3kox s GLU 550 CO 0.07 0.40 1.12 0.39 -0.49 0.00 0.00 175.26 176.76 3kox n GLU 551 N -0.44 -7.49 -2.57 1.61 1.02 -1.26 -0.17 120.64 111.34 3kox n GLU 551 Ca -0.08 0.83 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 3kox n GLU 551 Cb 0.57 -5.87 -0.02 0.00 -0.02 0.00 0.00 31.44 26.10 3kox n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kox s VAL 552 N -3.34 4.44 -0.08 2.62 1.01 -1.26 -4.45 120.40 119.35 3kox s VAL 552 Ca 0.38 1.69 0.02 0.00 0.00 0.00 0.00 61.98 64.08 3kox s VAL 552 Cb -0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3kox s VAL 552 CO 0.73 -0.35 -0.14 -1.61 0.00 0.00 0.00 175.10 173.73 3kox s GLU 553 N 3.62 2.83 0.21 2.72 2.02 -0.62 -5.00 118.70 124.47 3kox s GLU 553 Ca 0.49 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 3kox s GLU 553 Cb -0.15 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.53 3kox s GLU 553 CO 0.14 0.47 1.29 0.08 0.02 0.00 0.00 175.26 177.26 3kox s VAL 554 N -0.32 3.24 -0.03 2.63 1.01 -1.26 -1.58 120.40 124.09 3kox s VAL 554 Ca 0.03 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.06 3kox s VAL 554 Cb -0.13 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3kox s VAL 554 CO 0.03 0.17 0.03 2.30 0.00 0.00 0.00 175.10 177.62 3kox n ILE 555 N 2.45 0.00 -3.67 2.22 -5.35 0.02 -4.94 119.36 110.09 3kox n ILE 555 Ca 0.05 -0.33 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 3kox n ILE 555 Cb 0.43 0.83 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 3kox n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kox s ASN 556 N -1.41 -0.68 -0.11 7.28 2.47 -1.16 -4.83 114.94 116.50 3kox s ASN 556 Ca 0.00 1.14 0.02 0.00 0.42 0.00 0.00 52.86 54.45 3kox s ASN 556 Cb 0.01 1.06 0.01 0.00 -1.45 0.00 0.00 41.25 40.88 3kox s ASN 556 CO 0.04 -0.21 -0.19 -0.13 -3.72 0.00 0.00 177.10 172.89 3kox s ARG 557 N 1.59 2.58 -0.10 0.43 0.52 -1.26 -0.97 118.95 121.74 3kox s ARG 557 Ca -0.09 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3kox s ARG 557 Cb -0.07 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.32 3kox s ARG 557 CO -0.16 0.01 -0.15 -1.21 0.02 0.00 0.00 175.30 173.81 3kox s GLU 558 N 0.78 2.12 -0.35 3.54 2.02 0.66 -4.99 118.70 122.48 3kox s GLU 558 Ca -0.10 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.07 3kox s GLU 558 Cb -0.16 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.27 3kox s GLU 558 CO 0.01 -0.05 1.43 0.08 0.02 0.00 0.00 175.26 176.74 3kox s VAL 559 N 0.94 3.93 0.00 2.63 1.01 -1.26 0.29 120.40 127.94 3kox s VAL 559 Ca -0.08 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 3kox s VAL 559 Cb -0.15 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 3kox s VAL 559 CO -0.01 -0.59 0.91 0.24 0.00 0.00 0.00 175.10 175.66 3kox h MET 560 N 10.38 -0.57 -3.45 2.72 0.00 -1.76 -3.47 114.93 118.78 3kox h MET 560 Ca -0.28 0.04 -0.11 0.00 0.00 0.00 0.00 59.70 59.34 3kox h MET 560 Cb 1.11 0.13 -0.18 0.00 0.00 0.00 0.00 31.60 32.66 3kox h MET 560 CO 1.06 -0.38 -0.37 -1.14 0.00 0.00 0.00 176.91 176.08 3kox s GLN 561 N -3.74 0.68 0.22 1.72 -0.44 -0.93 -4.98 119.66 112.19 3kox s GLN 561 Ca -0.09 -0.53 -0.16 0.00 -2.50 0.00 0.00 55.36 52.08 3kox s GLN 561 Cb 0.01 0.29 0.25 0.00 -1.64 0.00 0.00 33.01 31.91 3kox s GLN 561 CO 0.26 -0.20 1.57 1.49 0.50 0.00 0.00 175.29 178.91 3kox h GLU 562 N 3.56 -0.05 0.04 1.67 4.81 -1.91 -2.30 114.58 120.41 3kox h GLU 562 Ca -0.32 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.66 3kox h GLU 562 Cb 1.19 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3kox h GLU 562 CO 0.46 -0.03 -1.39 0.00 -0.73 0.00 0.00 179.01 177.31 3kox h ALA 563 N 1.41 0.28 0.00 2.92 0.00 -1.98 -3.32 119.26 118.58 3kox h ALA 563 Ca 0.33 -1.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 3kox h ALA 563 Cb 0.59 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kox h ALA 563 CO -0.86 0.82 -0.09 0.93 0.00 0.00 0.00 179.25 180.05 3kox h GLU 564 N -0.70 0.00 0.00 0.00 4.39 -1.86 -3.34 114.58 113.07 3kox h GLU 564 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3kox h GLU 564 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 3kox h GLU 564 CO -0.11 0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 3kox n GLY 565 N -0.91 0.89 3.25 -3.84 0.00 -0.88 -4.06 105.19 99.63 3kox n GLY 565 Ca -0.02 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 3kox n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kox s THR 566 N -1.47 -0.01 -0.13 2.61 2.01 -0.73 -2.04 115.64 115.88 3kox s THR 566 Ca 0.00 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 3kox s THR 566 Cb 0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3kox s THR 566 CO 0.00 0.02 0.69 -0.60 -0.69 0.00 0.00 174.62 174.04 3kox s ARG 567 N 0.62 4.33 -0.01 4.92 3.52 0.14 -2.25 118.95 130.22 3kox s ARG 567 Ca -0.03 0.80 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 3kox s ARG 567 Cb -0.05 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3kox s ARG 567 CO -0.04 -0.11 -0.17 0.42 -0.81 0.00 0.00 175.30 174.59 3kox s ILE 568 N 1.43 2.83 -0.01 4.11 -1.09 -0.30 -0.25 121.20 127.91 3kox s ILE 568 Ca 0.34 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 3kox s ILE 568 Cb -0.17 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 3kox s ILE 568 CO 0.14 0.48 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.53 3kox s GLU 569 N -1.04 1.52 0.02 2.79 2.02 -0.14 -1.73 118.70 122.14 3kox s GLU 569 Ca 0.13 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3kox s GLU 569 Cb -0.10 -1.47 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 3kox s GLU 569 CO 0.03 0.40 -0.03 -0.51 0.02 0.00 0.00 175.26 175.17 3kox s LEU 570 N -0.45 2.21 0.23 1.80 1.02 -0.38 -0.80 118.68 122.31 3kox s LEU 570 Ca 0.07 -0.44 0.09 0.00 0.02 0.00 0.00 54.13 53.87 3kox s LEU 570 Cb -0.07 0.06 -0.04 0.00 0.02 0.00 0.00 46.19 46.16 3kox s LEU 570 CO -0.01 -0.25 0.01 -1.59 0.02 0.00 0.00 176.35 174.53 3kox s LYS 571 N -1.29 2.38 0.07 1.70 -2.85 -0.62 -1.02 119.74 118.11 3kox s LYS 571 Ca -0.13 -1.27 -0.27 0.00 -1.00 0.00 0.00 55.97 53.30 3kox s LYS 571 Cb -0.09 -2.27 0.09 0.00 -2.06 0.00 0.00 37.83 33.51 3kox s LYS 571 CO -0.01 0.40 1.16 0.20 0.10 0.00 0.00 175.35 177.20 3kox s GLY 572 N -3.39 -0.17 -0.05 0.59 0.00 -1.15 -1.60 107.32 101.56 3kox s GLY 572 Ca 0.30 0.15 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3kox s GLY 572 CO 0.20 2.02 -0.19 -1.60 0.00 0.00 0.00 173.10 173.53 3kox s ARG 573 N -2.41 2.48 -0.34 2.90 3.52 0.76 -1.82 118.95 124.03 3kox s ARG 573 Ca 0.19 -0.79 -0.22 0.00 -0.13 0.00 0.00 55.73 54.79 3kox s ARG 573 Cb 0.00 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 3kox s ARG 573 CO 0.01 0.54 0.71 0.08 -0.81 0.00 0.00 175.30 175.83 3kox s VAL 574 N -0.52 4.82 -1.63 7.11 1.01 0.73 -1.35 120.40 130.57 3kox s VAL 574 Ca 0.07 0.83 0.27 0.00 0.00 0.00 0.00 61.98 63.15 3kox s VAL 574 Cb -0.11 -4.13 0.58 0.00 0.00 0.00 0.00 36.38 32.72 3kox s VAL 574 CO 0.01 -0.32 1.95 -0.81 0.00 0.00 0.00 175.10 175.93 3kox n PRO 575 N 6.19 0.56 -3.88 2.72 -0.04 -1.26 -4.76 135.00 134.53 3kox n PRO 575 Ca 0.01 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 3kox n PRO 575 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3kox n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kox s PHE 576 N -2.37 2.67 0.36 0.54 -0.12 -1.26 -5.14 117.98 112.66 3kox s PHE 576 Ca 0.31 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3kox s PHE 576 Cb 0.18 -2.02 -0.06 0.00 -0.63 0.00 0.00 43.02 40.50 3kox s PHE 576 CO 0.38 0.07 0.06 -1.12 -0.05 0.00 0.00 175.22 174.56 3kox s SER 577 N -4.00 2.78 -0.00 1.98 0.01 -1.26 -4.83 113.70 108.37 3kox s SER 577 Ca 0.44 -1.45 0.01 0.00 1.31 0.00 0.00 55.95 56.26 3kox s SER 577 Cb 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.25 3kox s SER 577 CO 0.25 -0.66 -0.04 -0.63 0.41 0.00 0.00 173.24 172.56 3kox s ILE 578 N -3.17 0.34 -0.05 1.44 1.09 -0.68 -4.96 121.20 115.21 3kox s ILE 578 Ca 0.32 -0.18 -0.23 0.00 -1.10 0.00 0.00 60.65 59.46 3kox s ILE 578 Cb 0.07 -0.29 -0.04 0.00 -1.06 0.00 0.00 42.46 41.14 3kox s ILE 578 CO 0.15 0.10 0.68 -0.62 -0.10 0.00 0.00 174.94 175.15 3kox s ASP 579 N -0.07 7.00 0.13 3.58 -1.08 -1.26 -0.69 116.67 124.27 3kox s ASP 579 Ca 0.01 1.19 0.19 0.00 -0.52 0.00 0.00 52.55 53.42 3kox s ASP 579 Cb -0.02 -2.40 0.79 0.00 -1.46 0.00 0.00 42.92 39.82 3kox s ASP 579 CO -0.00 -0.06 1.57 -0.38 0.52 0.00 0.00 175.17 176.82 3kox n ILE 580 N 3.49 0.94 -0.01 4.11 2.08 -1.13 -2.81 119.36 126.03 3kox n ILE 580 Ca -0.03 0.25 -0.21 0.00 0.56 0.00 0.00 62.75 63.33 3kox n ILE 580 Cb 0.51 -1.10 -0.14 0.00 -0.75 0.00 0.00 39.64 38.17 3kox n ILE 580 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3kox h ASN 581 N 0.00 0.31 0.00 4.38 2.35 -1.93 -3.31 115.58 117.39 3kox h ASN 581 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 3kox h ASN 581 Cb 0.29 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3kox h ASN 581 CO 0.00 1.55 0.03 -1.20 -1.65 0.00 0.00 177.43 176.16 3kox n SER 582 N -4.03 0.00 -4.72 5.81 7.64 -1.12 -4.61 113.62 112.59 3kox n SER 582 Ca -0.24 0.05 -0.38 0.00 1.01 0.00 0.00 58.87 59.30 3kox n SER 582 Cb 0.84 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.94 3kox n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kox s LEU 583 N -1.75 4.26 -0.59 -3.43 1.43 -1.25 -5.04 118.68 112.31 3kox s LEU 583 Ca 0.00 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.69 3kox s LEU 583 Cb 0.00 -2.67 0.09 0.00 0.03 0.00 0.00 46.19 43.64 3kox s LEU 583 CO 0.00 -0.01 0.73 -0.69 0.23 0.00 0.00 176.35 176.61 3kox s VAL 584 N 0.71 4.76 -0.24 -1.59 1.01 -1.26 -5.03 120.40 118.74 3kox s VAL 584 Ca 0.25 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kox s VAL 584 Cb -0.15 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.78 3kox s VAL 584 CO 0.10 -1.14 -0.12 -0.63 0.00 0.00 0.00 175.10 173.31 3kox s ILE 585 N 2.87 2.29 0.67 2.22 1.01 -1.26 -5.12 121.20 123.88 3kox s ILE 585 Ca 0.13 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.24 3kox s ILE 585 Cb -0.23 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3kox s ILE 585 CO 0.07 0.12 1.16 -2.84 0.00 0.00 0.00 174.94 173.45 3kox s PRO 586 N 1.18 2.61 0.00 2.79 0.02 -1.26 -5.30 135.00 135.05 3kox s PRO 586 Ca -0.04 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3kox s PRO 586 Cb -0.18 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kox s PRO 586 CO -0.06 -1.43 0.00 -2.30 -0.33 0.00 0.00 177.00 172.87 3kox n PRO 587 N -2.34 3.68 0.00 5.54 -0.02 -1.26 -5.34 135.00 135.27 3kox n PRO 587 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3kox n PRO 587 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3kox n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kox n ILE 591 N 0.00 0.00 -3.77 4.25 5.41 -1.26 -5.37 119.36 118.63 3kox n ILE 591 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3kox n ILE 591 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3kox n ILE 591 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kox s LEU 592 N 0.00 4.38 0.62 1.39 1.43 -1.26 -5.10 118.68 120.15 3kox s LEU 592 Ca 0.00 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 3kox s LEU 592 Cb 0.00 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 3kox s LEU 592 CO 0.00 0.35 0.98 -0.94 0.23 0.00 0.00 176.35 176.97 3kox s SER 593 N -0.81 5.72 0.21 2.29 1.04 -1.26 -4.91 113.70 115.98 3kox s SER 593 Ca 0.16 1.00 -0.16 0.00 0.48 0.00 0.00 55.95 57.43 3kox s SER 593 Cb -0.13 -1.97 0.21 0.00 0.10 0.00 0.00 66.02 64.23 3kox s SER 593 CO 0.05 -1.07 1.60 1.05 0.98 0.00 0.00 173.24 175.85 3kox h GLU 594 N -0.32 -0.07 -0.15 4.02 9.09 -1.99 -1.69 114.58 123.46 3kox h GLU 594 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3kox h GLU 594 Cb 1.24 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 3kox h GLU 594 CO 0.62 -0.05 0.10 -0.44 0.05 0.00 0.00 179.01 179.29 3kox h ASP 595 N -0.08 0.18 -0.51 3.06 3.32 -1.98 0.18 116.42 120.59 3kox h ASP 595 Ca 0.29 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.42 3kox h ASP 595 Cb 0.54 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 3kox h ASP 595 CO -0.72 0.13 0.09 -0.33 -1.72 0.00 0.00 179.24 176.69 3kox h GLU 596 N 0.21 0.21 -0.51 3.56 3.07 -1.88 0.53 114.58 119.77 3kox h GLU 596 Ca 0.06 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 3kox h GLU 596 Cb -0.02 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3kox h GLU 596 CO -0.01 0.14 0.05 0.82 -1.40 0.00 0.00 179.01 178.61 3kox h ILE 597 N 0.22 1.26 -0.74 3.13 2.04 -1.00 -0.81 117.51 121.61 3kox h ILE 597 Ca 0.26 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3kox h ILE 597 Cb 0.36 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3kox h ILE 597 CO -0.35 0.36 0.44 -0.09 0.00 0.00 0.00 178.15 178.51 3kox h ARG 598 N 0.74 1.01 -0.22 2.37 2.43 -0.38 -2.88 114.38 117.44 3kox h ARG 598 Ca 0.15 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3kox h ARG 598 Cb 0.45 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3kox h ARG 598 CO 0.02 0.72 -0.02 0.93 -1.51 0.00 0.00 179.97 180.10 3kox h GLU 599 N 1.01 0.40 -0.85 0.20 5.08 0.39 -1.08 114.58 119.73 3kox h GLU 599 Ca 0.26 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3kox h GLU 599 Cb -0.02 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 3kox h GLU 599 CO -0.05 0.61 0.55 0.22 -1.00 0.00 0.00 179.01 179.35 3kox h ASP 600 N 0.15 0.76 0.85 1.42 3.58 -1.12 -2.48 116.42 119.59 3kox h ASP 600 Ca 0.06 0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.33 3kox h ASP 600 Cb 0.45 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3kox h ASP 600 CO 0.02 0.46 -1.24 0.40 -2.88 0.00 0.00 179.24 175.99 3kox h ILE 601 N 0.85 0.92 0.35 2.25 2.04 -1.30 -2.15 117.51 120.46 3kox h ILE 601 Ca 0.39 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.71 3kox h ILE 601 Cb 0.39 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3kox h ILE 601 CO -0.16 0.52 -0.28 -0.33 0.00 0.00 0.00 178.15 177.91 3kox h GLU 602 N 0.00 -0.61 0.32 2.37 5.08 -0.83 -3.21 114.58 117.70 3kox h GLU 602 Ca -0.14 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3kox h GLU 602 Cb 1.71 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3kox h GLU 602 CO 0.08 -0.41 -0.15 0.87 -1.00 0.00 0.00 179.01 178.39 3kox h LYS 603 N -0.64 -0.41 -4.49 2.33 1.57 -1.54 -3.38 116.57 110.01 3kox h LYS 603 Ca -0.03 0.03 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 3kox h LYS 603 Cb 0.55 0.09 -0.31 0.00 0.08 0.00 0.00 32.23 32.65 3kox h LYS 603 CO -0.01 -0.11 -0.52 0.99 -0.57 0.00 0.00 179.45 179.24 3kox s THR 604 N -4.80 3.78 0.83 -0.16 2.01 -0.81 -5.09 115.64 111.40 3kox s THR 604 Ca -0.14 -1.62 -0.11 0.00 0.31 0.00 0.00 61.69 60.13 3kox s THR 604 Cb 0.02 -3.38 0.10 0.00 0.01 0.00 0.00 72.50 69.25 3kox s THR 604 CO 0.55 -0.52 1.13 -2.84 -0.69 0.00 0.00 174.62 172.25 3kox s PRO 605 N 1.31 1.68 -0.20 4.92 0.02 -1.21 -4.27 135.00 137.26 3kox s PRO 605 Ca 0.04 1.40 -0.04 0.00 0.02 0.00 0.00 61.00 62.42 3kox s PRO 605 Cb -0.23 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.57 3kox s PRO 605 CO -0.00 -2.11 0.24 -1.17 -0.33 0.00 0.00 177.00 173.62 3kox s LEU 606 N -6.16 -0.18 -0.15 -5.54 2.96 -1.26 -5.06 118.68 103.28 3kox s LEU 606 Ca 0.65 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3kox s LEU 606 Cb -0.21 0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.96 3kox s LEU 606 CO 0.56 -0.31 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.40 3kox s LYS 607 N 2.36 3.34 -0.01 1.98 2.20 -1.26 -1.17 119.74 127.17 3kox s LYS 607 Ca 0.07 -0.69 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 3kox s LYS 607 Cb -0.15 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 3kox s LYS 607 CO -0.12 0.08 -0.26 0.42 -0.36 0.00 0.00 175.35 175.11 3kox s ILE 608 N 0.69 2.06 -0.10 5.43 1.09 0.12 -0.44 121.20 130.06 3kox s ILE 608 Ca -0.06 -1.14 -0.03 0.00 -1.10 0.00 0.00 60.65 58.32 3kox s ILE 608 Cb -0.15 -1.71 -0.03 0.00 -1.06 0.00 0.00 42.46 39.50 3kox s ILE 608 CO 0.02 0.56 0.04 0.68 -0.10 0.00 0.00 174.94 176.13 3kox s VAL 609 N -0.63 4.62 0.06 2.92 -7.23 -0.98 0.46 120.40 119.61 3kox s VAL 609 Ca 0.10 -0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 3kox s VAL 609 Cb -0.10 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3kox s VAL 609 CO -0.01 0.61 0.04 0.00 -0.31 0.00 0.00 175.10 175.43 3kox s ALA 610 N -0.90 0.25 -0.24 1.32 0.00 -0.24 -2.23 121.76 119.72 3kox s ALA 610 Ca 0.14 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 3kox s ALA 610 Cb -0.12 0.32 0.12 0.00 0.00 0.00 0.00 23.12 23.44 3kox s ALA 610 CO 0.03 -0.39 0.98 0.00 0.00 0.00 0.00 175.76 176.37 3kox s ALA 611 N -3.69 -1.93 -0.02 0.00 0.00 -1.05 -0.95 121.76 114.11 3kox s ALA 611 Ca 0.04 1.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 3kox s ALA 611 Cb 0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 3kox s ALA 611 CO -0.09 -0.27 1.09 0.99 0.00 0.00 0.00 175.76 177.47 3kox s THR 612 N -0.19 4.52 0.31 0.00 2.01 -0.57 -1.32 115.64 120.40 3kox s THR 612 Ca 0.01 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.90 3kox s THR 612 Cb -0.04 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3kox s THR 612 CO -0.03 0.07 0.13 0.54 -0.69 0.00 0.00 174.62 174.65 3kox s VAL 613 N 1.55 3.36 0.00 3.82 0.11 -0.93 -1.65 120.40 126.65 3kox s VAL 613 Ca 0.54 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3kox s VAL 613 Cb -0.23 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 3kox s VAL 613 CO 0.24 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3kox n GLY 614 N -1.12 0.37 0.83 6.54 0.00 -1.03 -2.90 105.19 107.88 3kox n GLY 614 Ca -0.04 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.29 3kox n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kox n GLU 615 N 12.04 2.14 -1.99 1.61 1.02 -1.26 -3.39 120.64 130.81 3kox n GLU 615 Ca 0.00 -1.66 -0.42 0.00 -0.02 0.00 0.00 57.16 55.06 3kox n GLU 615 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3kox n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kox s ASP 616 N -2.00 6.64 0.00 1.62 3.68 -1.14 -4.44 116.67 121.03 3kox s ASP 616 Ca 0.31 2.56 0.16 0.00 2.13 0.00 0.00 52.55 57.70 3kox s ASP 616 Cb 0.20 -2.59 -0.08 0.00 -1.45 0.00 0.00 42.92 39.00 3kox s ASP 616 CO 0.31 -0.78 0.76 -0.62 0.13 0.00 0.00 175.17 174.98 3kox n GLU 617 N 3.82 1.81 -2.01 4.34 -0.58 -1.26 -1.23 120.64 125.53 3kox n GLU 617 Ca 0.13 -0.43 -0.41 0.00 -0.42 0.00 0.00 57.16 56.02 3kox n GLU 617 Cb 0.39 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 3kox n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kox s HIS 618 N -2.15 1.75 -0.12 -0.32 3.76 -1.26 -4.83 115.29 112.12 3kox s HIS 618 Ca 0.10 0.72 0.15 0.00 -0.15 0.00 0.00 55.06 55.88 3kox s HIS 618 Cb 0.12 -4.10 -0.22 0.00 1.11 0.00 0.00 32.58 29.50 3kox s HIS 618 CO 0.51 -2.68 0.15 -1.13 -0.85 0.00 0.00 174.74 170.74 3kox n SER 619 N 11.28 1.06 -0.09 1.40 3.41 -1.26 -4.72 113.62 124.70 3kox n SER 619 Ca 0.22 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 3kox n SER 619 Cb 0.49 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 3kox n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kox h VAL 620 N 0.00 0.53 -0.62 -3.33 2.07 -2.00 -2.80 116.25 110.10 3kox h VAL 620 Ca -0.31 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.34 3kox h VAL 620 Cb 1.64 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 3kox h VAL 620 CO 0.02 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.91 3kox h GLY 621 N -0.10 0.74 1.47 2.17 0.00 -1.99 0.29 103.07 105.65 3kox h GLY 621 Ca 0.17 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 3kox h GLY 621 CO -0.39 -0.16 -0.35 -2.00 0.00 0.00 0.00 176.54 173.64 3kox h LEU 622 N 0.19 0.61 -0.76 3.11 5.85 -1.83 -2.93 115.31 119.57 3kox h LEU 622 Ca 0.33 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 3kox h LEU 622 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3kox h LEU 622 CO -0.47 0.92 -0.60 0.03 -0.34 0.00 0.00 178.44 177.98 3kox h ARG 623 N 0.50 0.00 0.00 1.25 3.08 -1.07 -2.92 114.38 115.22 3kox h ARG 623 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 3kox h ARG 623 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3kox h ARG 623 CO 0.07 0.60 -0.38 1.49 -1.07 0.00 0.00 179.97 180.68 3kox h GLU 624 N 0.00 0.00 -0.13 0.04 4.57 -0.82 1.79 114.58 120.03 3kox h GLU 624 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3kox h GLU 624 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3kox h GLU 624 CO 0.08 0.38 0.00 1.33 -1.18 0.00 0.00 179.01 179.62 3kox n VAL 625 N -3.81 0.16 0.01 0.32 0.24 -1.11 -4.33 118.33 109.81 3kox n VAL 625 Ca -0.01 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3kox n VAL 625 Cb 0.45 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 3kox n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kox n ILE 626 N 0.24 0.22 -1.74 1.34 5.41 -0.25 -1.53 119.36 123.04 3kox n ILE 626 Ca 0.17 0.07 -0.38 0.00 1.00 0.00 0.00 62.75 63.61 3kox n ILE 626 Cb 0.32 -1.46 0.05 0.00 -0.71 0.00 0.00 39.64 37.84 3kox n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kox n ASP 627 N -3.07 2.53 0.13 4.38 8.00 0.59 -2.46 116.55 126.65 3kox n ASP 627 Ca 0.00 0.94 0.12 0.00 0.71 0.00 0.00 54.79 56.56 3kox n ASP 627 Cb 0.39 -1.57 0.50 0.00 -0.02 0.00 0.00 41.12 40.41 3kox n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kox n ILE 628 N -1.25 0.88 0.28 0.53 3.06 -1.26 -2.10 119.36 119.48 3kox n ILE 628 Ca 0.12 0.31 -0.16 0.00 -2.50 0.00 0.00 62.75 60.52 3kox n ILE 628 Cb 0.45 -1.25 -0.08 0.00 0.54 0.00 0.00 39.64 39.30 3kox n ILE 628 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3kox h LYS 629 N 0.00 -0.68 -1.68 9.51 1.63 -1.91 -3.02 116.57 120.41 3kox h LYS 629 Ca 0.00 0.05 -0.68 0.00 -0.85 0.00 0.00 60.65 59.16 3kox h LYS 629 Cb 0.30 0.15 -0.34 0.00 -0.60 0.00 0.00 32.23 31.75 3kox h LYS 629 CO 0.00 -0.45 0.28 0.72 -3.45 0.00 0.00 179.45 176.55 3kox n HIS 630 N -5.41 3.15 -2.07 1.91 8.25 -1.26 -4.90 115.22 114.90 3kox n HIS 630 Ca -0.11 -2.66 -0.02 0.00 -0.26 0.00 0.00 57.72 54.66 3kox n HIS 630 Cb 0.31 -0.75 -0.00 0.00 1.12 0.00 0.00 29.99 30.67 3kox n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kox n GLY 631 N -0.55 0.29 3.90 -1.41 0.00 -1.14 -4.65 105.19 101.62 3kox n GLY 631 Ca 0.49 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3kox n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kox s GLY 632 N -2.89 1.62 0.17 -0.02 0.00 -0.89 -2.66 107.32 102.64 3kox s GLY 632 Ca 0.00 -0.53 0.16 0.00 0.00 0.00 0.00 44.72 44.35 3kox s GLY 632 CO 0.00 -0.17 1.50 0.29 0.00 0.00 0.00 173.10 174.72 3kox n ILE 633 N -2.93 1.16 -0.12 0.90 -5.35 -0.58 -1.22 119.36 111.22 3kox n ILE 633 Ca 0.06 0.43 0.20 0.00 -0.27 0.00 0.00 62.75 63.17 3kox n ILE 633 Cb 0.58 -1.36 0.60 0.00 -1.74 0.00 0.00 39.64 37.73 3kox n ILE 633 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3kox h GLU 634 N 0.00 0.20 0.00 6.28 4.81 -1.74 -2.35 114.58 121.78 3kox h GLU 634 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kox h GLU 634 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kox h GLU 634 CO 0.00 0.13 0.00 1.57 -0.73 0.00 0.00 179.01 179.98 3kox h LYS 635 N 0.21 0.00 -0.00 1.92 2.10 -1.43 -2.61 116.57 116.76 3kox h LYS 635 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3kox h LYS 635 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3kox h LYS 635 CO -0.07 0.00 -0.43 0.66 -2.00 0.00 0.00 179.45 177.61 3kox n TYR 636 N -3.08 0.00 0.00 0.07 4.01 -0.88 -4.95 117.16 112.32 3kox n TYR 636 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3kox n TYR 636 Cb 0.37 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3kox n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kox n GLY 637 N 1.48 1.07 3.70 2.72 0.00 -0.98 -4.56 105.19 108.63 3kox n GLY 637 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3kox n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kox s VAL 638 N -2.00 3.80 -0.27 1.61 1.01 -1.22 -4.77 120.40 118.55 3kox s VAL 638 Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 3kox s VAL 638 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 3kox s VAL 638 CO 0.00 0.05 1.00 -0.70 0.00 0.00 0.00 175.10 175.45 3kox s GLU 639 N 1.70 4.15 -0.23 2.72 2.12 -0.32 -4.64 118.70 124.20 3kox s GLU 639 Ca 0.61 1.13 0.01 0.00 0.36 0.00 0.00 54.97 57.08 3kox s GLU 639 Cb -0.31 -3.68 0.04 0.00 0.26 0.00 0.00 34.13 30.43 3kox s GLU 639 CO 0.27 -0.72 -0.13 0.08 -0.54 0.00 0.00 175.26 174.22 3kox s VAL 640 N 3.30 2.30 -0.34 3.70 1.01 -1.26 0.16 120.40 129.27 3kox s VAL 640 Ca 0.42 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3kox s VAL 640 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3kox s VAL 640 CO 0.10 0.23 0.44 -1.00 0.00 0.00 0.00 175.10 174.87 3kox s HIS 641 N 1.22 3.20 -0.20 5.22 3.76 0.17 -4.98 115.29 123.69 3kox s HIS 641 Ca -0.02 0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 54.85 3kox s HIS 641 Cb -0.17 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 3kox s HIS 641 CO -0.08 -0.47 0.29 -0.47 -0.85 0.00 0.00 174.74 173.16 3kox s TYR 642 N 2.20 3.39 -1.57 1.40 5.04 -1.26 -1.08 117.35 125.47 3kox s TYR 642 Ca 0.15 0.50 0.23 0.00 -2.44 0.00 0.00 57.07 55.52 3kox s TYR 642 Cb -0.16 -2.38 0.19 0.00 0.35 0.00 0.00 41.96 39.96 3kox s TYR 642 CO 0.12 0.11 1.20 1.28 -1.34 0.00 0.00 175.55 176.93 3kox n LEU 643 N 4.05 1.33 0.00 6.97 4.77 -0.13 -4.95 117.00 129.04 3kox n LEU 643 Ca -0.12 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3kox n LEU 643 Cb 0.52 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3kox n LEU 643 CO 0.39 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3kox n GLY 644 N 1.43 -1.14 3.77 -0.72 0.00 -1.26 -4.94 105.19 102.33 3kox n GLY 644 Ca 0.08 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 3kox n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kox s THR 645 N 0.00 2.15 -1.67 2.61 -4.23 -1.26 -1.51 115.64 111.74 3kox s THR 645 Ca 0.00 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3kox s THR 645 Cb 0.00 -2.82 0.12 0.00 1.34 0.00 0.00 72.50 71.14 3kox s THR 645 CO 0.00 0.00 0.53 -1.20 -0.54 0.00 0.00 174.62 173.41 3kox n SER 646 N -1.33 -1.60 -4.58 3.99 7.64 -0.36 -4.93 113.62 112.45 3kox n SER 646 Ca -0.02 -1.12 -0.40 0.00 1.01 0.00 0.00 58.87 58.33 3kox n SER 646 Cb 0.65 -2.30 -0.08 0.00 -1.01 0.00 0.00 64.21 61.46 3kox n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kox s VAL 647 N -3.61 5.11 0.66 0.44 1.01 -0.96 -4.66 120.40 118.39 3kox s VAL 647 Ca 0.50 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 3kox s VAL 647 Cb -0.28 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kox s VAL 647 CO 0.96 -0.02 1.18 -2.84 0.00 0.00 0.00 175.10 174.38 3kox s PRO 648 N 2.20 2.62 0.15 2.72 0.02 -1.26 -2.46 135.00 138.99 3kox s PRO 648 Ca 0.16 1.68 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 3kox s PRO 648 Cb -0.16 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.51 3kox s PRO 648 CO 0.11 -1.45 1.71 0.28 -0.33 0.00 0.00 177.00 177.32 3kox h VAL 649 N 0.22 0.78 -0.73 3.83 2.07 -1.96 0.39 116.25 120.86 3kox h VAL 649 Ca -0.48 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3kox h VAL 649 Cb 1.28 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3kox h VAL 649 CO 0.53 0.02 0.44 -0.08 0.02 0.00 0.00 177.57 178.50 3kox h GLU 650 N 0.10 0.81 -0.47 1.57 4.81 -1.93 -1.33 114.58 118.14 3kox h GLU 650 Ca 0.15 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3kox h GLU 650 Cb 0.19 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 3kox h GLU 650 CO -0.24 0.54 0.08 0.87 -0.73 0.00 0.00 179.01 179.52 3kox h LYS 651 N 0.83 0.20 -0.59 1.92 6.56 -1.30 0.14 116.57 124.33 3kox h LYS 651 Ca 0.31 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.84 3kox h LYS 651 Cb 0.10 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 3kox h LYS 651 CO -0.14 0.13 0.20 1.25 -2.06 0.00 0.00 179.45 178.82 3kox h LEU 652 N 0.20 0.81 -0.18 2.94 5.85 -0.46 0.15 115.31 124.62 3kox h LEU 652 Ca 0.23 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kox h LEU 652 Cb 0.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kox h LEU 652 CO -0.32 0.75 -0.04 0.58 -0.34 0.00 0.00 178.44 179.07 3kox h VAL 653 N 0.85 1.29 -0.90 1.05 2.07 -0.23 -2.32 116.25 118.05 3kox h VAL 653 Ca 0.20 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3kox h VAL 653 Cb 0.23 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3kox h VAL 653 CO -0.01 0.30 0.55 0.44 0.02 0.00 0.00 177.57 178.87 3kox h ASP 654 N 0.07 1.08 -1.01 0.57 3.32 -0.33 -1.76 116.42 118.36 3kox h ASP 654 Ca 0.05 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3kox h ASP 654 Cb 0.48 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3kox h ASP 654 CO 0.02 0.83 0.66 0.00 -1.72 0.00 0.00 179.24 179.03 3kox h ALA 655 N 1.30 1.37 -0.27 3.45 0.00 -0.63 -1.69 119.26 122.79 3kox h ALA 655 Ca 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kox h ALA 655 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3kox h ALA 655 CO -0.06 0.49 -0.22 0.00 0.00 0.00 0.00 179.25 179.46 3kox h ALA 656 N 1.44 1.12 0.13 0.00 0.00 -0.75 0.33 119.26 121.53 3kox h ALA 656 Ca 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kox h ALA 656 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kox h ALA 656 CO -0.15 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 180.40 3kox h ILE 657 N 0.44 1.02 -0.79 0.00 2.04 -1.15 0.22 117.51 119.29 3kox h ILE 657 Ca 0.07 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 64.90 3kox h ILE 657 Cb 0.64 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 3kox h ILE 657 CO 0.05 0.24 0.47 -0.08 0.00 0.00 0.00 178.15 178.83 3kox h GLU 658 N -0.73 0.83 -0.00 2.37 4.81 -1.20 -1.59 114.58 119.06 3kox h GLU 658 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kox h GLU 658 Cb 0.53 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3kox h GLU 658 CO 0.03 0.55 -0.21 1.28 -0.73 0.00 0.00 179.01 179.92 3kox n LEU 659 N -4.69 0.49 -2.60 1.64 4.77 0.09 -4.96 117.00 111.75 3kox n LEU 659 Ca 0.11 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 3kox n LEU 659 Cb 0.19 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3kox n LEU 659 CO 0.30 0.10 -0.06 2.29 -1.33 0.00 0.00 177.39 178.69 3kox n LYS 660 N -1.13 -3.74 -1.73 3.23 2.85 -0.39 -4.95 118.16 112.30 3kox n LYS 660 Ca 0.11 0.85 -0.39 0.00 -1.05 0.00 0.00 58.31 57.83 3kox n LYS 660 Cb 0.31 -5.50 0.04 0.00 -0.65 0.00 0.00 35.03 29.24 3kox n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kox n ALA 661 N -3.03 1.52 0.37 0.58 0.00 -0.07 -4.91 120.51 114.97 3kox n ALA 661 Ca -0.13 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3kox n ALA 661 Cb 0.62 -2.34 0.24 0.00 0.00 0.00 0.00 19.45 17.97 3kox n ALA 661 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kox h ASP 662 N 1.52 0.00 -5.01 0.00 3.32 -1.09 -3.47 116.42 111.68 3kox h ASP 662 Ca -0.50 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 3kox h ASP 662 Cb 1.30 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.73 3kox h ASP 662 CO 0.57 0.01 0.15 0.00 -1.72 0.00 0.00 179.24 178.25 3kox s ALA 663 N -3.18 -1.48 -0.11 3.45 0.00 -1.21 -1.70 121.76 117.52 3kox s ALA 663 Ca 0.08 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.52 3kox s ALA 663 Cb 0.09 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 3kox s ALA 663 CO 0.66 -0.71 -0.22 0.42 0.00 0.00 0.00 175.76 175.91 3kox s ILE 664 N -3.52 2.26 -0.12 0.00 1.01 0.80 -2.31 121.20 119.32 3kox s ILE 664 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3kox s ILE 664 Cb -0.00 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.59 3kox s ILE 664 CO -0.11 0.55 -0.22 -0.76 0.00 0.00 0.00 174.94 174.41 3kox s LEU 665 N 0.38 2.04 0.03 2.97 1.43 -0.95 -0.41 118.68 124.17 3kox s LEU 665 Ca -0.17 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3kox s LEU 665 Cb -0.17 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3kox s LEU 665 CO 0.08 0.10 -0.05 0.00 0.23 0.00 0.00 176.35 176.70 3kox s ALA 666 N 0.64 0.38 0.16 4.21 0.00 -0.27 -2.53 121.76 124.35 3kox s ALA 666 Ca -0.12 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.34 3kox s ALA 666 Cb -0.16 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3kox s ALA 666 CO 0.03 -0.04 -0.05 0.45 0.00 0.00 0.00 175.76 176.15 3kox s SER 667 N -1.21 4.53 -0.37 0.00 0.15 -0.44 -0.48 113.70 115.88 3kox s SER 667 Ca -0.09 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.17 3kox s SER 667 Cb -0.08 -0.89 0.18 0.00 -1.71 0.00 0.00 66.02 63.52 3kox s SER 667 CO -0.00 0.11 0.59 0.28 1.20 0.00 0.00 173.24 175.42 3kox s THR 668 N -1.63 -0.93 -0.22 6.45 -1.32 -0.36 -2.20 115.64 115.43 3kox s THR 668 Ca 0.26 -0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 60.48 3kox s THR 668 Cb -0.09 -0.33 -0.18 0.00 -1.51 0.00 0.00 72.50 70.39 3kox s THR 668 CO 0.17 -0.06 0.04 -0.38 -2.21 0.00 0.00 174.62 172.18 3kox n ILE 669 N 4.67 1.56 -1.96 5.08 2.08 -1.26 -4.23 119.36 125.30 3kox n ILE 669 Ca 0.09 -0.25 -0.42 0.00 0.56 0.00 0.00 62.75 62.74 3kox n ILE 669 Cb 0.55 -1.91 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 3kox n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3kox s ILE 670 N -2.44 2.63 0.00 1.39 1.01 -1.26 -4.62 121.20 117.90 3kox s ILE 670 Ca -0.31 0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3kox s ILE 670 Cb 0.09 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3kox s ILE 670 CO 0.59 0.06 0.69 -1.54 0.00 0.00 0.00 174.94 174.74 3kox n SER 671 N 3.17 0.96 -4.61 3.58 3.41 -1.26 -4.16 113.62 114.70 3kox n SER 671 Ca 0.10 -1.45 -0.55 0.00 -0.26 0.00 0.00 58.87 56.72 3kox n SER 671 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 3kox n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kox n HIS 672 N -0.22 1.52 -2.59 7.33 -0.00 -1.26 -1.80 115.22 118.20 3kox n HIS 672 Ca 0.00 0.71 -0.15 0.00 -0.00 0.00 0.00 57.72 58.27 3kox n HIS 672 Cb 0.34 -2.32 0.01 0.00 -0.00 0.00 0.00 29.99 28.02 3kox n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kox n ASP 673 N 3.12 -4.66 -2.01 0.26 2.03 -1.26 -2.25 116.55 111.78 3kox n ASP 673 Ca 0.21 -0.13 -0.18 0.00 0.52 0.00 0.00 54.79 55.22 3kox n ASP 673 Cb 0.15 -3.64 -0.04 0.00 -0.72 0.00 0.00 41.12 36.87 3kox n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kox n ASP 674 N -1.08 -4.96 0.28 1.67 8.00 -0.75 -4.84 116.55 114.87 3kox n ASP 674 Ca -0.12 0.23 0.14 0.00 0.71 0.00 0.00 54.79 55.76 3kox n ASP 674 Cb 0.60 -4.29 0.81 0.00 -0.02 0.00 0.00 41.12 38.22 3kox n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kox h ILE 675 N 0.00 0.49 0.69 0.53 6.09 -1.54 -1.10 117.51 122.67 3kox h ILE 675 Ca -0.40 -0.37 -0.03 0.00 -1.37 0.00 0.00 64.86 62.69 3kox h ILE 675 Cb 1.24 1.25 0.01 0.00 0.47 0.00 0.00 36.82 39.79 3kox h ILE 675 CO 0.51 0.08 -0.33 1.12 -3.07 0.00 0.00 178.15 176.46 3kox h HIS 676 N 0.00 -0.86 -0.27 2.19 2.07 -1.81 -2.24 115.15 114.22 3kox h HIS 676 Ca -0.00 -0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 3kox h HIS 676 Cb 0.24 0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 3kox h HIS 676 CO 0.00 -0.51 0.16 1.88 -3.07 0.00 0.00 177.93 176.39 3kox h TYR 677 N -1.15 0.35 0.13 6.12 0.05 -1.87 -2.43 116.97 118.18 3kox h TYR 677 Ca -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3kox h TYR 677 Cb 0.74 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3kox h TYR 677 CO -0.00 0.24 -0.06 0.87 -1.05 0.00 0.00 178.16 178.16 3kox h LYS 678 N 0.37 -0.17 0.00 4.88 1.57 -1.19 -2.20 116.57 119.84 3kox h LYS 678 Ca 0.10 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3kox h LYS 678 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kox h LYS 678 CO -0.02 0.16 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.06 3kox h ASN 679 N -0.52 0.00 -0.13 0.86 2.35 -1.33 0.18 115.58 116.99 3kox h ASN 679 Ca -0.02 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3kox h ASN 679 Cb 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3kox h ASN 679 CO 0.03 0.06 0.03 0.24 -1.65 0.00 0.00 177.43 176.13 3kox h MET 680 N 0.00 0.08 -0.48 0.81 2.86 -1.10 -2.61 114.93 114.49 3kox h MET 680 Ca -0.00 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3kox h MET 680 Cb 0.36 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3kox h MET 680 CO 0.01 0.05 -0.15 -0.22 1.06 0.00 0.00 176.91 177.66 3kox h LYS 681 N 0.08 0.94 0.00 1.72 3.64 -0.13 -2.70 116.57 120.13 3kox h LYS 681 Ca 0.06 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3kox h LYS 681 Cb 0.05 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kox h LYS 681 CO -0.08 1.04 -0.10 0.00 -2.27 0.00 0.00 179.45 178.04 3kox h ARG 682 N 0.79 0.00 0.07 1.90 3.08 -0.97 -1.36 114.38 117.90 3kox h ARG 682 Ca 0.12 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.88 3kox h ARG 682 Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.79 3kox h ARG 682 CO 0.05 0.10 -1.16 0.82 -1.07 0.00 0.00 179.97 178.72 3kox h ILE 683 N 0.00 1.30 -0.20 2.04 2.04 -1.14 -1.29 117.51 120.26 3kox h ILE 683 Ca -0.00 -2.42 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 3kox h ILE 683 Cb 0.32 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3kox h ILE 683 CO 0.01 0.74 -0.11 -0.74 0.00 0.00 0.00 178.15 178.05 3kox h HIS 684 N 0.30 0.50 0.38 1.37 2.76 -1.31 -1.12 115.15 118.03 3kox h HIS 684 Ca -0.16 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 57.88 3kox h HIS 684 Cb 1.82 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.64 3kox h HIS 684 CO 0.10 0.73 -0.48 0.93 -1.30 0.00 0.00 177.93 177.92 3kox h GLU 685 N 0.12 -0.85 -1.00 5.26 5.08 -1.31 -0.23 114.58 121.65 3kox h GLU 685 Ca 0.04 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.68 3kox h GLU 685 Cb 0.61 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 3kox h GLU 685 CO 0.03 -0.57 0.62 -0.07 -1.00 0.00 0.00 179.01 178.02 3kox h LEU 686 N -0.88 0.66 0.49 1.33 3.38 -1.27 0.65 115.31 119.67 3kox h LEU 686 Ca -0.05 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kox h LEU 686 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3kox h LEU 686 CO -0.11 0.19 -0.24 0.00 0.09 0.00 0.00 178.44 178.36 3kox h ALA 687 N 1.66 -0.80 -0.50 1.53 0.00 -0.31 -0.38 119.26 120.45 3kox h ALA 687 Ca 0.59 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.40 3kox h ALA 687 Cb 1.13 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3kox h ALA 687 CO -0.37 -0.75 -0.30 0.28 0.00 0.00 0.00 179.25 178.11 3kox n VAL 688 N -4.60 -0.34 -0.20 0.00 0.31 -0.18 -1.09 118.33 112.22 3kox n VAL 688 Ca -0.08 1.50 -0.02 0.00 -0.01 0.00 0.00 64.34 65.72 3kox n VAL 688 Cb 0.26 -1.87 0.04 0.00 -0.91 0.00 0.00 33.84 31.36 3kox n VAL 688 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kox h GLU 689 N 0.00 -0.07 0.00 5.55 4.81 0.49 0.33 114.58 125.69 3kox h GLU 689 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kox h GLU 689 Cb 0.21 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kox h GLU 689 CO -0.47 -0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.39 3kox n LYS 690 N -5.44 0.93 -1.94 1.92 5.02 -0.17 -4.91 118.16 113.57 3kox n LYS 690 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 3kox n LYS 690 Cb 0.34 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3kox n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kox n GLY 691 N 0.75 0.27 0.15 0.72 0.00 0.12 -4.90 105.19 102.29 3kox n GLY 691 Ca 0.17 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.66 3kox n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kox n ILE 692 N -3.69 0.82 0.05 -0.61 -5.35 -1.14 -4.86 119.36 104.59 3kox n ILE 692 Ca -0.10 -0.91 0.02 0.00 -0.27 0.00 0.00 62.75 61.48 3kox n ILE 692 Cb 0.51 0.60 0.36 0.00 -1.74 0.00 0.00 39.64 39.37 3kox n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3kox h ARG 693 N 0.50 0.41 -0.06 6.28 9.65 -1.86 -2.12 114.38 127.19 3kox h ARG 693 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3kox h ARG 693 Cb 0.48 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 3kox h ARG 693 CO 0.00 0.45 0.00 -0.40 2.80 0.00 0.00 179.97 182.82 3kox n ASP 694 N -4.31 1.68 -0.00 -3.80 5.75 -1.26 -3.41 116.55 111.19 3kox n ASP 694 Ca 0.01 -1.59 0.09 0.00 -0.01 0.00 0.00 54.79 53.29 3kox n ASP 694 Cb 0.22 -0.03 -0.12 0.00 -1.03 0.00 0.00 41.12 40.16 3kox n ASP 694 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3kox n LYS 695 N 0.31 0.59 -4.76 0.11 4.81 -0.81 -5.00 118.16 113.41 3kox n LYS 695 Ca 0.18 -0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.32 3kox n LYS 695 Cb 0.37 -1.43 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 3kox n LYS 695 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3kox s ILE 696 N -2.97 1.64 -0.14 3.15 2.07 -1.11 -4.93 121.20 118.90 3kox s ILE 696 Ca 0.04 -1.08 -0.13 0.00 -1.41 0.00 0.00 60.65 58.06 3kox s ILE 696 Cb 0.14 -1.40 -0.05 0.00 0.13 0.00 0.00 42.46 41.28 3kox s ILE 696 CO 0.81 0.29 0.29 -0.04 -1.91 0.00 0.00 174.94 174.37 3kox s MET 697 N -0.93 4.15 -0.18 3.50 -1.94 -0.69 -4.93 119.30 118.28 3kox s MET 697 Ca 0.07 0.10 0.01 0.00 -1.71 0.00 0.00 55.69 54.17 3kox s MET 697 Cb -0.08 -3.38 0.02 0.00 2.01 0.00 0.00 34.83 33.39 3kox s MET 697 CO 0.01 0.33 -0.19 0.42 -0.01 0.00 0.00 175.02 175.58 3kox s ILE 698 N 0.18 2.16 -0.04 2.53 1.01 -1.26 -0.14 121.20 125.64 3kox s ILE 698 Ca 0.17 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.97 3kox s ILE 698 Cb -0.13 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3kox s ILE 698 CO 0.05 0.53 -0.23 -0.83 0.00 0.00 0.00 174.94 174.46 3kox s GLY 699 N 1.24 1.17 -0.03 6.18 0.00 0.46 -2.07 107.32 114.26 3kox s GLY 699 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3kox s GLY 699 CO -0.11 -0.66 -0.08 0.00 0.00 0.00 0.00 173.10 172.24 3kox s GLY 701 N 0.38 0.73 0.00 0.00 0.00 0.37 -1.70 107.32 107.09 3kox s GLY 701 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3kox s GLY 701 CO 0.01 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.33 3kox n GLY 702 N -0.01 2.46 0.31 0.20 0.00 -0.65 -1.23 105.19 106.27 3kox n GLY 702 Ca -0.11 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.02 3kox n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kox h THR 703 N 0.87 1.10 -0.47 2.61 2.02 -1.82 -0.16 112.91 117.05 3kox h THR 703 Ca 0.00 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3kox h THR 703 Cb 0.00 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3kox h THR 703 CO 0.00 0.10 0.03 0.00 0.37 0.00 0.00 175.52 176.02 3kox n GLN 704 N -4.48 3.93 -2.99 6.66 1.13 -1.26 -4.15 117.38 116.22 3kox n GLN 704 Ca 0.03 -3.04 -0.40 0.00 -1.94 0.00 0.00 57.00 51.65 3kox n GLN 704 Cb 0.06 -2.09 -0.04 0.00 0.11 0.00 0.00 30.24 28.28 3kox n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kox s VAL 705 N -2.84 4.97 -0.23 5.09 1.01 -0.07 -5.03 120.40 123.29 3kox s VAL 705 Ca 0.50 1.56 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 3kox s VAL 705 Cb 0.39 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3kox s VAL 705 CO 0.12 0.26 -0.01 -0.89 0.00 0.00 0.00 175.10 174.58 3kox s THR 706 N 0.67 3.58 0.16 3.92 2.01 -1.26 -4.12 115.64 120.60 3kox s THR 706 Ca 0.40 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3kox s THR 706 Cb -0.19 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.73 3kox s THR 706 CO 0.20 0.38 1.65 -0.65 -0.69 0.00 0.00 174.62 175.51 3kox h PRO 707 N 8.14 -0.13 -0.58 4.92 0.11 -1.93 0.31 132.00 142.84 3kox h PRO 707 Ca -0.40 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.84 3kox h PRO 707 Cb 1.16 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 3kox h PRO 707 CO 0.60 -0.09 -0.00 0.93 -0.21 0.00 0.00 178.00 179.23 3kox h GLU 708 N -0.14 0.11 -0.52 1.05 3.07 -1.95 0.91 114.58 117.11 3kox h GLU 708 Ca 0.16 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 3kox h GLU 708 Cb 0.39 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 3kox h GLU 708 CO -0.40 0.07 0.06 0.28 -1.40 0.00 0.00 179.01 177.62 3kox h VAL 709 N 0.12 1.24 -0.43 3.13 2.07 -1.48 -2.85 116.25 118.04 3kox h VAL 709 Ca 0.30 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3kox h VAL 709 Cb 0.47 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kox h VAL 709 CO -0.49 0.34 0.25 0.00 0.02 0.00 0.00 177.57 177.69 3kox h ALA 710 N 1.26 0.55 -0.10 1.67 0.00 0.99 -2.73 119.26 120.90 3kox h ALA 710 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3kox h ALA 710 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kox h ALA 710 CO 0.01 -0.08 -0.10 0.28 0.00 0.00 0.00 179.25 179.36 3kox h VAL 711 N 0.50 1.14 0.00 0.00 2.07 -0.73 -1.43 116.25 117.80 3kox h VAL 711 Ca 0.18 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3kox h VAL 711 Cb 0.03 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3kox h VAL 711 CO -0.09 0.18 0.00 0.29 0.02 0.00 0.00 177.57 177.97 3kox n LYS 712 N -4.34 0.04 -0.08 1.57 5.02 -1.03 -1.58 118.16 117.76 3kox n LYS 712 Ca -0.01 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3kox n LYS 712 Cb 0.22 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.07 3kox n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kox n GLN 713 N -1.47 1.95 0.00 1.97 1.13 -0.54 -4.93 117.38 115.50 3kox n GLN 713 Ca 0.04 -1.42 0.00 0.00 -1.94 0.00 0.00 57.00 53.68 3kox n GLN 713 Cb 0.17 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3kox n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kox n GLY 714 N 1.25 2.46 3.78 1.08 0.00 -0.62 -4.15 105.19 108.99 3kox n GLY 714 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kox n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kox s VAL 715 N -2.63 3.47 0.24 1.61 -7.23 -1.25 -4.96 120.40 109.65 3kox s VAL 715 Ca 0.00 0.68 0.14 0.00 -1.81 0.00 0.00 61.98 60.99 3kox s VAL 715 Cb 0.00 -3.21 0.06 0.00 0.56 0.00 0.00 36.38 33.79 3kox s VAL 715 CO 0.00 -0.43 1.69 0.44 -0.31 0.00 0.00 175.10 176.49 3kox h ASP 716 N 0.13 0.00 -4.57 4.85 3.32 -1.75 -3.38 116.42 115.01 3kox h ASP 716 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 3kox h ASP 716 Cb 1.24 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.58 3kox h ASP 716 CO 0.55 0.48 0.21 0.00 -1.72 0.00 0.00 179.24 178.76 3kox s ALA 717 N -3.67 -1.79 0.18 3.45 0.00 -1.18 -4.90 121.76 113.84 3kox s ALA 717 Ca -0.01 1.57 0.11 0.00 0.00 0.00 0.00 51.96 53.63 3kox s ALA 717 Cb 0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3kox s ALA 717 CO 0.72 -0.35 -0.24 0.20 0.00 0.00 0.00 175.76 176.09 3kox s GLY 718 N -0.66 1.65 -0.04 0.00 0.00 -1.26 -1.86 107.32 105.15 3kox s GLY 718 Ca -0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 3kox s GLY 718 CO 0.06 -1.61 0.06 -1.36 0.00 0.00 0.00 173.10 170.24 3kox s PHE 719 N -1.61 0.04 0.00 1.90 0.08 -0.69 -4.48 117.98 113.22 3kox s PHE 719 Ca 0.19 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.47 3kox s PHE 719 Cb -0.08 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.98 3kox s PHE 719 CO 0.09 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.46 3kox n GLY 720 N 4.95 4.37 2.34 4.36 0.00 -1.26 -1.64 105.19 118.30 3kox n GLY 720 Ca -0.11 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 3kox n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kox n ARG 721 N -0.17 0.00 -1.12 1.61 1.74 -1.26 -2.28 116.66 115.19 3kox n ARG 721 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3kox n ARG 721 Cb 0.00 -0.83 -0.02 0.00 -1.02 0.00 0.00 32.46 30.59 3kox n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kox n GLY 722 N 1.20 0.68 3.78 -0.13 0.00 -1.26 -5.01 105.19 104.46 3kox n GLY 722 Ca 0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3kox n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kox s SER 723 N -2.54 5.87 0.11 1.61 0.01 -0.96 -5.06 113.70 112.73 3kox s SER 723 Ca 0.00 2.11 0.02 0.00 1.31 0.00 0.00 55.95 59.39 3kox s SER 723 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 3kox s SER 723 CO 0.00 -1.11 -0.07 -0.54 0.41 0.00 0.00 173.24 171.93 3kox s LYS 724 N -3.28 0.89 0.34 12.44 1.02 -1.26 -4.89 119.74 125.00 3kox s LYS 724 Ca 0.71 -1.37 0.15 0.00 0.02 0.00 0.00 55.97 55.48 3kox s LYS 724 Cb -0.22 -0.27 1.11 0.00 -0.52 0.00 0.00 37.83 37.92 3kox s LYS 724 CO 0.25 -0.01 1.65 0.78 -0.92 0.00 0.00 175.35 177.10 3kox h GLY 725 N 2.92 2.06 1.04 -3.33 0.00 -1.69 0.20 103.07 104.27 3kox h GLY 725 Ca -0.36 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3kox h GLY 725 CO 0.64 -0.54 0.11 1.19 0.00 0.00 0.00 176.54 177.95 3kox h ILE 726 N 0.27 1.26 0.15 2.60 6.09 -1.92 0.60 117.51 126.55 3kox h ILE 726 Ca 0.74 -0.99 0.01 0.00 -1.37 0.00 0.00 64.86 63.25 3kox h ILE 726 Cb 1.73 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 3kox h ILE 726 CO -0.64 0.37 -0.16 0.45 -3.07 0.00 0.00 178.15 175.10 3kox h HIS 727 N 0.92 -0.43 0.12 2.19 3.86 -1.01 0.00 115.15 120.81 3kox h HIS 727 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3kox h HIS 727 Cb 0.41 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3kox h HIS 727 CO 0.03 -0.25 -0.06 0.28 0.86 0.00 0.00 177.93 178.80 3kox h VAL 728 N -0.35 0.99 -0.26 2.45 2.07 -1.12 -1.94 116.25 118.09 3kox h VAL 728 Ca 0.01 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3kox h VAL 728 Cb 0.34 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3kox h VAL 728 CO -0.05 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.82 3kox h ALA 729 N 0.51 1.91 -0.50 1.67 0.00 0.19 -1.53 119.26 121.51 3kox h ALA 729 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3kox h ALA 729 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kox h ALA 729 CO 0.03 0.06 0.01 1.15 0.00 0.00 0.00 179.25 180.49 3kox h THR 730 N 0.27 1.26 -0.28 0.00 2.02 -0.59 -2.23 112.91 113.37 3kox h THR 730 Ca 0.11 -1.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 3kox h THR 730 Cb 0.09 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3kox h THR 730 CO -0.02 0.37 -0.37 0.15 0.37 0.00 0.00 175.52 176.02 3kox h PHE 731 N 0.73 0.75 -0.35 3.16 3.57 -0.95 -2.09 116.94 121.76 3kox h PHE 731 Ca 0.14 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3kox h PHE 731 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3kox h PHE 731 CO 0.04 0.91 0.06 -0.07 -2.23 0.00 0.00 178.31 177.01 3kox h LEU 732 N 0.53 0.56 0.01 0.59 3.38 -1.11 0.57 115.31 119.85 3kox h LEU 732 Ca 0.05 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 3kox h LEU 732 Cb 0.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3kox h LEU 732 CO 0.08 0.68 -1.08 -0.37 0.09 0.00 0.00 178.44 177.84 3kox h VAL 733 N 0.42 1.60 0.26 1.22 -1.51 -1.38 -2.57 116.25 114.29 3kox h VAL 733 Ca 0.11 -3.17 -0.01 0.00 -1.23 0.00 0.00 66.70 62.40 3kox h VAL 733 Cb 0.36 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 3kox h VAL 733 CO 0.01 0.91 -0.12 0.11 -1.23 0.00 0.00 177.57 177.25 3kox h LYS 734 N 0.04 -0.34 -0.21 5.19 1.57 -1.34 -2.49 116.57 119.00 3kox h LYS 734 Ca -0.07 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kox h LYS 734 Cb 1.82 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.19 3kox h LYS 734 CO 0.16 -0.09 0.12 -0.22 -0.57 0.00 0.00 179.45 178.85 3kox h LYS 735 N -0.54 0.25 -0.41 3.15 1.63 -0.95 -0.58 116.57 119.11 3kox h LYS 735 Ca -0.04 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 3kox h LYS 735 Cb 0.40 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 3kox h LYS 735 CO 0.06 0.16 0.07 -0.09 -3.45 0.00 0.00 179.45 176.21 3kox h ARG 736 N 0.26 0.19 0.48 1.90 2.43 -1.54 0.53 114.38 118.63 3kox h ARG 736 Ca 0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3kox h ARG 736 Cb -0.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kox h ARG 736 CO -0.03 0.13 -0.41 0.00 -1.51 0.00 0.00 179.97 178.15 3kox h ARG 737 N 0.20 -0.84 -0.94 0.20 3.08 -1.14 -2.24 114.38 112.70 3kox h ARG 737 Ca 0.20 0.06 0.28 0.00 0.07 0.00 0.00 59.98 60.59 3kox h ARG 737 Cb 0.25 0.19 -0.16 0.00 0.08 0.00 0.00 29.97 30.33 3kox h ARG 737 CO -0.27 -0.56 0.22 1.49 -1.07 0.00 0.00 179.97 179.78 3kox h GLU 738 N -0.87 0.10 -0.75 0.04 4.81 -0.83 -1.85 114.58 115.24 3kox h GLU 738 Ca -0.06 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3kox h GLU 738 Cb 0.74 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 3kox h GLU 738 CO -0.01 0.07 0.43 0.52 -0.73 0.00 0.00 179.01 179.29 3kox h MET 739 N 0.10 0.75 -0.02 1.92 2.86 0.65 -3.51 114.93 117.69 3kox h MET 739 Ca 0.62 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 3kox h MET 739 Cb 1.36 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3kox h MET 739 CO -0.77 0.50 0.00 0.54 1.06 0.00 0.00 176.91 178.24