#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kow n GLN 6 N 0.00 0.00 -2.67 1.96 0.00 -1.26 -5.02 117.38 110.38 3kow n GLN 6 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 3kow n GLN 6 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 3kow n GLN 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kow n LEU 7 N 0.00 -7.66 -4.77 1.69 4.77 -1.26 -4.97 117.00 104.80 3kow n LEU 7 Ca 0.00 1.54 -0.38 0.00 -0.03 0.00 0.00 56.01 57.14 3kow n LEU 7 Cb 0.00 -3.31 -0.06 0.00 -2.33 0.00 0.00 43.42 37.73 3kow n LEU 7 CO 0.00 -3.29 0.22 -0.13 -1.33 0.00 0.00 177.39 172.86 3kow s ARG 8 N -1.47 4.24 0.00 3.23 0.52 -1.26 -4.93 118.95 119.28 3kow s ARG 8 Ca -0.04 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 3kow s ARG 8 Cb 0.00 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.13 3kow s ARG 8 CO 0.77 0.38 0.49 1.33 0.02 0.00 0.00 175.30 178.30 3kow n VAL 9 N 2.77 0.36 -0.32 3.52 0.24 -1.26 -0.85 118.33 122.79 3kow n VAL 9 Ca -0.08 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3kow n VAL 9 Cb 0.51 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3kow n VAL 9 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3kow n ASN 10 N -0.99 0.78 -4.60 -1.34 6.94 -1.26 -5.00 115.26 109.79 3kow n ASN 10 Ca 0.00 -1.11 -0.35 0.00 -0.02 0.00 0.00 54.58 53.11 3kow n ASN 10 Cb 0.03 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.35 3kow n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kow s GLU 11 N -0.11 3.90 1.05 -3.83 2.02 -0.03 -5.08 118.70 116.62 3kow s GLU 11 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 3kow s GLU 11 Cb 0.00 -3.18 0.16 0.00 0.10 0.00 0.00 34.13 31.21 3kow s GLU 11 CO 0.00 0.22 0.72 1.63 0.02 0.00 0.00 175.26 177.85 3kow n LYS 12 N 3.68 -1.29 -2.53 1.61 5.02 -1.26 -4.63 118.16 118.75 3kow n LYS 12 Ca -0.17 -0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 3kow n LYS 12 Cb 0.52 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3kow n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kow s LEU 13 N -4.57 4.37 -1.28 -0.35 0.20 -1.26 -4.95 118.68 110.85 3kow s LEU 13 Ca 0.63 1.88 -0.13 0.00 0.69 0.00 0.00 54.13 57.21 3kow s LEU 13 Cb -0.21 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.11 3kow s LEU 13 CO 0.64 -0.39 1.75 -0.67 -0.29 0.00 0.00 176.35 177.39 3kow n ASP 14 N 3.92 4.96 -0.18 3.68 -0.08 -1.26 -4.85 116.55 122.74 3kow n ASP 14 Ca 0.08 -3.01 -0.01 0.00 -1.51 0.00 0.00 54.79 50.34 3kow n ASP 14 Cb 0.48 -1.57 0.09 0.00 2.34 0.00 0.00 41.12 42.46 3kow n ASP 14 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3kow h VAL 15 N 4.32 0.78 -0.87 5.18 3.04 -1.95 -0.86 116.25 125.88 3kow h VAL 15 Ca 0.40 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 65.96 3kow h VAL 15 Cb 0.74 0.38 -0.04 0.00 -2.01 0.00 0.00 31.29 30.37 3kow h VAL 15 CO 1.51 0.07 0.54 -0.08 -1.01 0.00 0.00 177.57 178.60 3kow h GLU 16 N 0.36 1.17 -0.07 4.17 4.81 -2.00 -1.96 114.58 121.06 3kow h GLU 16 Ca 0.28 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 3kow h GLU 16 Cb 0.33 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kow h GLU 16 CO -0.29 0.81 -0.59 -0.97 -0.73 0.00 0.00 179.01 177.24 3kow h ASN 17 N 1.20 0.27 -0.27 1.04 -1.24 -1.74 -3.13 115.58 111.70 3kow h ASN 17 Ca 0.32 -0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 3kow h ASN 17 Cb -0.08 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 3kow h ASN 17 CO -0.06 0.79 -0.02 0.40 -1.29 0.00 0.00 177.43 177.25 3kow h ILE 18 N 0.18 1.27 0.00 2.57 2.04 -0.56 -2.48 117.51 120.53 3kow h ILE 18 Ca -0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3kow h ILE 18 Cb 1.08 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3kow h ILE 18 CO 0.09 0.31 0.00 0.18 0.00 0.00 0.00 178.15 178.73 3kow n LEU 19 N -4.57 0.33 -4.60 1.44 4.77 -0.80 -4.56 117.00 109.01 3kow n LEU 19 Ca -0.03 0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 56.12 3kow n LEU 19 Cb 0.27 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3kow n LEU 19 CO 0.39 -0.54 1.45 -0.54 -1.33 0.00 0.00 177.39 176.82 3kow s LYS 20 N -3.21 3.42 0.00 3.23 1.02 -0.94 -3.69 119.74 119.58 3kow s LYS 20 Ca 0.03 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.34 3kow s LYS 20 Cb 0.07 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 3kow s LYS 20 CO 0.24 -1.75 0.00 -0.25 -0.92 0.00 0.00 175.35 172.67 3kow n ASP 21 N 9.80 -1.15 -0.41 2.83 8.00 -1.26 -4.95 116.55 129.41 3kow n ASP 21 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3kow n ASP 21 Cb 0.47 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3kow n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kow n LEU 22 N -0.36 0.54 -0.03 0.64 4.77 -1.24 -2.25 117.00 119.07 3kow n LEU 22 Ca 0.00 -0.27 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 3kow n LEU 22 Cb 0.29 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3kow n LEU 22 CO 0.00 0.13 -0.75 -0.90 -1.33 0.00 0.00 177.39 174.54 3kow n ASP 23 N 0.05 2.10 -0.95 -1.43 5.75 -1.26 -4.45 116.55 116.36 3kow n ASP 23 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 3kow n ASP 23 Cb 0.13 1.23 0.26 0.00 -1.03 0.00 0.00 41.12 41.71 3kow n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kow n LYS 24 N -2.16 2.25 -3.12 0.11 4.76 -0.95 -4.94 118.16 114.10 3kow n LYS 24 Ca -0.10 -1.88 -0.40 0.00 -2.87 0.00 0.00 58.31 53.06 3kow n LYS 24 Cb 0.58 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 3kow n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kow s TYR 25 N -1.62 3.38 0.08 2.13 5.04 -1.25 -5.06 117.35 120.05 3kow s TYR 25 Ca 0.36 0.92 0.07 0.00 -2.44 0.00 0.00 57.07 55.98 3kow s TYR 25 Cb 0.21 -2.79 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 3kow s TYR 25 CO 0.30 -0.17 -0.19 0.95 -1.34 0.00 0.00 175.55 175.10 3kow s THR 26 N 1.89 1.55 0.31 4.34 -4.23 -1.26 -5.09 115.64 113.16 3kow s THR 26 Ca 0.28 -1.36 -0.28 0.00 -1.18 0.00 0.00 61.69 59.15 3kow s THR 26 Cb -0.16 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 3kow s THR 26 CO 0.10 -0.01 1.07 -2.84 -0.54 0.00 0.00 174.62 172.41 3kow s PRO 27 N -1.62 4.51 0.01 3.99 0.02 -1.26 -4.98 135.00 135.67 3kow s PRO 27 Ca 0.05 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.51 3kow s PRO 27 Cb -0.09 -3.00 -0.16 0.00 0.02 0.00 0.00 34.50 31.27 3kow s PRO 27 CO 0.03 0.12 1.19 0.87 -0.33 0.00 0.00 177.00 178.88 3kow h LYS 28 N 3.43 -0.54 -6.70 5.54 1.57 -1.99 -3.47 116.57 114.41 3kow h LYS 28 Ca -0.47 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 57.85 3kow h LYS 28 Cb 1.21 0.12 0.03 0.00 0.08 0.00 0.00 32.23 33.68 3kow h LYS 28 CO 0.66 -0.23 -0.07 1.03 -0.57 0.00 0.00 179.45 180.26 3kow s ARG 29 N -4.64 2.21 0.16 3.15 0.52 -1.26 -5.15 118.95 113.94 3kow s ARG 29 Ca -0.14 -1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 53.29 3kow s ARG 29 Cb 0.02 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.90 3kow s ARG 29 CO 0.50 -0.96 0.42 1.03 0.02 0.00 0.00 175.30 176.31 3kow s ARG 30 N -4.73 1.20 0.54 3.54 0.52 -1.26 -4.84 118.95 113.92 3kow s ARG 30 Ca 0.63 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 3kow s ARG 30 Cb -0.05 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.88 3kow s ARG 30 CO 0.40 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.65 3kow n GLY 31 N -0.26 -1.80 3.87 -3.53 0.00 -1.24 -4.89 105.19 97.33 3kow n GLY 31 Ca -0.12 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3kow n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kow s TRP 32 N -1.87 3.45 -0.03 1.61 -0.11 -1.11 -4.75 118.94 116.14 3kow s TRP 32 Ca 0.00 1.12 0.01 0.00 1.22 0.00 0.00 56.10 58.45 3kow s TRP 32 Cb 0.00 -2.50 0.02 0.00 -1.50 0.00 0.00 33.47 29.49 3kow s TRP 32 CO 0.00 -0.11 -0.02 0.95 -4.62 0.00 0.00 176.95 173.15 3kow s THR 33 N -2.35 0.27 0.61 5.86 -4.23 -1.26 -5.06 115.64 109.48 3kow s THR 33 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 3kow s THR 33 Cb -0.10 -0.33 0.07 0.00 1.34 0.00 0.00 72.50 73.48 3kow s THR 33 CO 0.29 0.15 0.85 0.26 -0.54 0.00 0.00 174.62 175.63 3kow s TRP 34 N 0.81 2.25 0.25 3.99 0.52 -1.26 -4.89 118.94 120.62 3kow s TRP 34 Ca -0.09 -0.20 -0.20 0.00 0.02 0.00 0.00 56.10 55.63 3kow s TRP 34 Cb -0.12 -2.77 -0.09 0.00 -1.15 0.00 0.00 33.47 29.35 3kow s TRP 34 CO -0.01 -1.18 0.76 1.03 0.02 0.00 0.00 176.95 177.57 3kow s ARG 35 N -4.87 4.26 -0.26 4.98 0.52 -1.26 -5.04 118.95 117.28 3kow s ARG 35 Ca 0.61 0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 56.54 3kow s ARG 35 Cb -0.08 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 3kow s ARG 35 CO 0.40 0.34 0.57 -0.65 0.02 0.00 0.00 175.30 175.97 3kow s GLN 36 N -2.15 4.06 0.41 3.54 -1.52 -1.26 -5.02 119.66 117.72 3kow s GLN 36 Ca 0.46 0.40 -0.26 0.00 -1.95 0.00 0.00 55.36 54.01 3kow s GLN 36 Cb -0.16 -3.66 -0.10 0.00 -0.22 0.00 0.00 33.01 28.87 3kow s GLN 36 CO 0.21 -0.39 1.25 -2.30 -0.25 0.00 0.00 175.29 173.80 3kow n PRO 37 N 5.63 1.89 -3.17 2.91 -0.02 -1.26 -2.16 135.00 138.82 3kow n PRO 37 Ca -0.03 0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 3kow n PRO 37 Cb 0.49 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3kow n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kow n ALA 38 N -0.17 3.81 -1.00 3.55 0.00 -0.66 -4.74 120.51 121.30 3kow n ALA 38 Ca 0.07 -4.38 -0.32 0.00 0.00 0.00 0.00 53.44 48.81 3kow n ALA 38 Cb 0.39 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 3kow n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kow n GLU 39 N 0.40 0.00 -3.19 0.00 4.71 -1.26 -3.14 120.64 118.16 3kow n GLU 39 Ca 0.29 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.31 3kow n GLU 39 Cb 0.45 -0.77 0.00 0.00 -1.01 0.00 0.00 31.44 30.12 3kow n GLU 39 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kow n ASN 40 N 1.79 -1.93 -4.81 1.62 3.02 -1.23 -4.88 115.26 108.84 3kow n ASN 40 Ca 0.09 -0.43 -0.38 0.00 -0.03 0.00 0.00 54.58 53.82 3kow n ASN 40 Cb 0.30 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 3kow n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kow s LEU 41 N -3.74 4.44 -0.34 3.41 2.96 -0.77 -4.81 118.68 119.83 3kow s LEU 41 Ca 0.04 0.97 -0.12 0.00 -0.22 0.00 0.00 54.13 54.80 3kow s LEU 41 Cb -0.02 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3kow s LEU 41 CO 0.38 0.25 0.21 -1.58 -1.32 0.00 0.00 176.35 174.29 3kow s GLN 42 N -0.72 3.33 -0.04 1.98 2.00 -1.26 -0.06 119.66 124.88 3kow s GLN 42 Ca 0.25 -0.75 0.01 0.00 -2.00 0.00 0.00 55.36 52.87 3kow s GLN 42 Cb -0.17 -3.74 0.02 0.00 0.80 0.00 0.00 33.01 29.92 3kow s GLN 42 CO 0.13 -0.49 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.74 3kow s MET 43 N 1.67 0.90 3.47 1.67 -1.94 -0.55 -4.99 119.30 119.53 3kow s MET 43 Ca 0.05 -0.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 3kow s MET 43 Cb -0.18 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 35.80 3kow s MET 43 CO 0.09 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 3kow n GLY 44 N 3.87 1.84 0.00 -0.03 0.00 -1.26 -1.07 105.19 108.54 3kow n GLY 44 Ca -0.24 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.37 3kow n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kow n PRO 45 N 8.37 0.94 -4.46 1.61 -0.04 -1.26 -4.95 135.00 135.21 3kow n PRO 45 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3kow n PRO 45 Cb 0.00 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3kow n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kow s PHE 46 N -2.00 2.25 -0.15 0.54 0.08 -0.23 -5.14 117.98 113.33 3kow s PHE 46 Ca 0.09 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 3kow s PHE 46 Cb 0.04 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 3kow s PHE 46 CO 0.07 0.68 -0.07 0.42 -0.10 0.00 0.00 175.22 176.22 3kow s ILE 47 N -2.50 3.55 -0.10 0.64 1.01 -1.26 -1.49 121.20 121.05 3kow s ILE 47 Ca 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 3kow s ILE 47 Cb -0.05 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3kow s ILE 47 CO 0.14 0.50 0.01 -0.31 0.00 0.00 0.00 174.94 175.28 3kow s TYR 48 N 0.45 3.17 -0.19 3.97 2.02 0.91 -4.93 117.35 122.75 3kow s TYR 48 Ca -0.06 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.72 3kow s TYR 48 Cb -0.15 -1.83 -0.21 0.00 -0.40 0.00 0.00 41.96 39.37 3kow s TYR 48 CO 0.04 0.41 0.07 1.63 -1.57 0.00 0.00 175.55 176.12 3kow n LYS 49 N 2.38 0.68 -2.90 -0.62 4.01 -1.26 -1.84 118.16 118.61 3kow n LYS 49 Ca -0.18 0.27 -0.27 0.00 -0.51 0.00 0.00 58.31 57.62 3kow n LYS 49 Cb 0.53 -1.63 -0.04 0.00 -0.51 0.00 0.00 35.03 33.39 3kow n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kow n ASP 50 N -3.63 4.45 -4.63 4.39 8.00 -1.26 -4.54 116.55 119.33 3kow n ASP 50 Ca -0.39 -3.68 -0.25 0.00 0.71 0.00 0.00 54.79 51.18 3kow n ASP 50 Cb 0.96 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 3kow n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kow s ALA 51 N -3.47 3.11 0.41 2.24 0.00 -1.26 -3.68 121.76 119.11 3kow s ALA 51 Ca 0.49 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 51.02 3kow s ALA 51 Cb 0.29 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3kow s ALA 51 CO -0.14 0.40 0.33 -1.54 0.00 0.00 0.00 175.76 174.80 3kow s SER 52 N -3.18 4.94 0.24 0.00 1.04 0.11 -1.64 113.70 115.21 3kow s SER 52 Ca 0.28 -0.79 -0.31 0.00 0.48 0.00 0.00 55.95 55.61 3kow s SER 52 Cb -0.08 -0.59 -0.12 0.00 0.10 0.00 0.00 66.02 65.33 3kow s SER 52 CO 0.18 -0.59 1.65 0.41 0.98 0.00 0.00 173.24 175.87 3kow n THR 53 N -1.46 0.46 -1.10 2.02 -1.04 -0.92 -4.36 114.28 107.87 3kow n THR 53 Ca 0.02 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 3kow n THR 53 Cb 0.62 -1.92 0.13 0.00 -1.82 0.00 0.00 70.33 67.33 3kow n THR 53 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kow s PRO 54 N 0.40 1.52 0.60 -2.82 0.02 -1.26 -4.84 135.00 128.62 3kow s PRO 54 Ca 0.71 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 3kow s PRO 54 Cb -0.52 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3kow s PRO 54 CO 0.40 -2.14 1.02 -0.51 -0.33 0.00 0.00 177.00 175.45 3kow s LEU 55 N -6.21 3.34 0.00 -5.54 1.43 -1.26 -4.97 118.68 105.47 3kow s LEU 55 Ca 0.63 1.52 0.25 0.00 -1.03 0.00 0.00 54.13 55.50 3kow s LEU 55 Cb -0.19 -4.49 0.45 0.00 0.03 0.00 0.00 46.19 41.99 3kow s LEU 55 CO 0.57 -0.89 1.37 -0.62 0.23 0.00 0.00 176.35 177.01 3kow n GLU 56 N -2.43 1.07 -3.64 1.70 1.02 -0.56 -4.84 120.64 112.96 3kow n GLU 56 Ca 0.07 -0.76 -0.09 0.00 -0.02 0.00 0.00 57.16 56.36 3kow n GLU 56 Cb 0.54 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3kow n GLU 56 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kow s ASN 57 N -2.45 -0.77 0.06 1.62 0.01 -1.24 -5.01 114.94 107.15 3kow s ASN 57 Ca 0.23 1.32 -0.10 0.00 -0.71 0.00 0.00 52.86 53.60 3kow s ASN 57 Cb 0.19 1.33 0.04 0.00 0.41 0.00 0.00 41.25 43.21 3kow s ASN 57 CO 0.53 -0.22 0.49 -1.54 -1.51 0.00 0.00 177.10 174.85 3kow n SER 58 N 3.47 -0.71 -4.13 -1.22 3.41 -1.26 -4.75 113.62 108.43 3kow n SER 58 Ca -0.17 -1.33 -0.33 0.00 -0.26 0.00 0.00 58.87 56.78 3kow n SER 58 Cb 0.57 1.15 -0.15 0.00 -0.26 0.00 0.00 64.21 65.51 3kow n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kow s VAL 59 N -2.27 2.27 0.55 -3.33 1.01 -0.93 -5.03 120.40 112.66 3kow s VAL 59 Ca 0.11 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 3kow s VAL 59 Cb -0.01 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3kow s VAL 59 CO 0.02 0.33 1.03 0.00 0.00 0.00 0.00 175.10 176.47 3kow s ALA 60 N 1.25 2.88 0.45 5.51 0.00 -1.26 -4.76 121.76 125.83 3kow s ALA 60 Ca 0.01 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 3kow s ALA 60 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3kow s ALA 60 CO -0.09 -0.51 1.27 1.28 0.00 0.00 0.00 175.76 177.70 3kow n LEU 61 N -1.69 4.23 -0.34 0.00 4.77 -1.26 -4.84 117.00 117.86 3kow n LEU 61 Ca 0.08 1.07 0.21 0.00 -0.03 0.00 0.00 56.01 57.34 3kow n LEU 61 Cb 0.53 -1.51 0.45 0.00 -2.33 0.00 0.00 43.42 40.56 3kow n LEU 61 CO 0.46 -0.70 1.18 -0.65 -1.33 0.00 0.00 177.39 176.34 3kow h PRO 62 N 1.91 0.46 0.00 3.23 0.11 -1.99 0.24 132.00 135.96 3kow h PRO 62 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kow h PRO 62 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kow h PRO 62 CO 0.59 0.31 0.00 0.43 -0.21 0.00 0.00 178.00 179.11 3kow n SER 63 N -4.81 0.00 0.16 -2.05 7.64 -1.26 -2.96 113.62 110.34 3kow n SER 63 Ca 0.27 0.33 0.13 0.00 1.01 0.00 0.00 58.87 60.62 3kow n SER 63 Cb 0.84 -0.42 0.50 0.00 -1.01 0.00 0.00 64.21 64.12 3kow n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kow h ALA 64 N 2.64 1.00 -0.73 -0.43 0.00 -0.84 -3.13 119.26 117.77 3kow h ALA 64 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3kow h ALA 64 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kow h ALA 64 CO 0.00 0.00 0.48 1.57 0.00 0.00 0.00 179.25 181.30 3kow h LYS 65 N 0.00 0.56 0.00 0.00 2.10 -1.72 0.72 116.57 118.24 3kow h LYS 65 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3kow h LYS 65 Cb 0.51 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3kow h LYS 65 CO 0.00 0.37 0.00 0.66 -2.00 0.00 0.00 179.45 178.48 3kow n TYR 66 N -4.49 0.00 -0.32 0.07 4.01 -1.18 -3.67 117.16 111.58 3kow n TYR 66 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3kow n TYR 66 Cb 0.37 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3kow n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kow n PHE 67 N -1.03 0.00 -0.15 -0.72 3.72 0.24 -4.99 117.46 114.53 3kow n PHE 67 Ca 0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3kow n PHE 67 Cb 0.08 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3kow n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kow n GLY 68 N -0.26 0.91 2.78 1.37 0.00 -1.02 -4.45 105.19 104.53 3kow n GLY 68 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 3kow n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kow n ASP 69 N 0.25 -4.31 -4.77 1.61 8.00 -0.30 -4.97 116.55 112.06 3kow n ASP 69 Ca 0.00 -0.06 -0.39 0.00 0.71 0.00 0.00 54.79 55.05 3kow n ASP 69 Cb 0.00 -3.60 -0.01 0.00 -0.02 0.00 0.00 41.12 37.50 3kow n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kow s ILE 70 N -2.82 2.68 -0.51 0.53 -4.36 -1.26 -4.75 121.20 110.71 3kow s ILE 70 Ca 0.16 0.60 0.03 0.00 -0.26 0.00 0.00 60.65 61.19 3kow s ILE 70 Cb -0.08 -3.35 0.15 0.00 1.25 0.00 0.00 42.46 40.43 3kow s ILE 70 CO 0.19 0.09 0.34 -0.62 0.24 0.00 0.00 174.94 175.17 3kow s ASP 71 N -0.78 3.52 0.39 4.36 2.15 -1.26 -4.60 116.67 120.45 3kow s ASP 71 Ca 0.57 -3.10 -0.27 0.00 0.43 0.00 0.00 52.55 50.18 3kow s ASP 71 Cb -0.37 -1.10 -0.09 0.00 -0.30 0.00 0.00 42.92 41.05 3kow s ASP 71 CO 0.48 -0.19 1.34 -2.84 -0.17 0.00 0.00 175.17 173.79 3kow s PRO 72 N -0.26 4.05 -0.12 4.34 0.02 -1.26 -4.64 135.00 137.12 3kow s PRO 72 Ca 0.23 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 3kow s PRO 72 Cb -0.12 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 3kow s PRO 72 CO -0.09 -0.46 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.44 3kow s GLN 73 N -2.13 3.31 0.92 5.54 -1.52 -1.26 -4.99 119.66 119.52 3kow s GLN 73 Ca 0.55 -0.48 -0.13 0.00 -1.95 0.00 0.00 55.36 53.34 3kow s GLN 73 Cb -0.40 -2.83 0.15 0.00 -0.22 0.00 0.00 33.01 29.71 3kow s GLN 73 CO 0.53 0.46 1.16 -1.25 -0.25 0.00 0.00 175.29 175.94 3kow s PRO 74 N -0.23 1.03 0.01 2.91 0.04 -1.26 0.06 135.00 137.55 3kow s PRO 74 Ca 0.05 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 61.04 3kow s PRO 74 Cb -0.13 -1.84 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 3kow s PRO 74 CO 0.02 -2.24 1.09 -0.07 0.04 0.00 0.00 177.00 175.84 3kow h LEU 75 N -1.53 0.56-10.08 -3.56 3.38 -1.85 -3.32 115.31 98.90 3kow h LEU 75 Ca -0.49 -0.77 -0.55 0.00 0.09 0.00 0.00 57.88 56.17 3kow h LEU 75 Cb 1.32 -0.17 0.14 0.00 0.09 0.00 0.00 40.66 42.03 3kow h LEU 75 CO 0.58 1.26 0.54 -2.84 0.09 0.00 0.00 178.44 178.07 3kow s PRO 76 N -3.16 2.91 0.04 1.13 0.02 -1.26 -4.54 135.00 130.13 3kow s PRO 76 Ca -0.13 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 3kow s PRO 76 Cb 0.04 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3kow s PRO 76 CO 0.83 -1.33 1.18 0.08 -0.33 0.00 0.00 177.00 177.44 3kow s VAL 77 N -1.40 4.14 -0.17 3.83 1.01 -0.83 -4.89 120.40 122.09 3kow s VAL 77 Ca 0.77 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 64.16 3kow s VAL 77 Cb -0.37 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3kow s VAL 77 CO 0.41 0.10 0.20 -0.63 0.00 0.00 0.00 175.10 175.18 3kow s ILE 78 N 1.23 5.37 -0.09 2.22 -1.09 -1.26 -1.03 121.20 126.56 3kow s ILE 78 Ca 0.58 0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 59.33 3kow s ILE 78 Cb -0.28 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3kow s ILE 78 CO 0.28 0.46 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.50 3kow s THR 79 N 0.13 3.83 -0.08 2.92 2.01 -0.91 -2.16 115.64 121.37 3kow s THR 79 Ca 0.13 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3kow s THR 79 Cb -0.12 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.80 3kow s THR 79 CO 0.02 0.58 -0.17 0.28 -0.69 0.00 0.00 174.62 174.63 3kow s THR 80 N -0.55 1.55 0.27 -0.82 -1.32 -0.38 -2.01 115.64 112.38 3kow s THR 80 Ca 0.08 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.55 3kow s THR 80 Cb -0.12 -1.38 -0.09 0.00 -1.51 0.00 0.00 72.50 69.40 3kow s THR 80 CO 0.02 0.45 1.08 -1.61 -2.21 0.00 0.00 174.62 172.35 3kow s GLU 81 N 0.57 4.66 -0.28 7.08 2.02 -1.26 -1.88 118.70 129.61 3kow s GLU 81 Ca -0.15 1.77 -0.01 0.00 0.02 0.00 0.00 54.97 56.60 3kow s GLU 81 Cb -0.17 -3.20 0.14 0.00 0.10 0.00 0.00 34.13 31.00 3kow s GLU 81 CO 0.05 0.24 0.32 0.42 0.02 0.00 0.00 175.26 176.31 3kow s ILE 82 N -1.13 -0.47 -0.28 -1.63 1.01 0.40 -4.91 121.20 114.19 3kow s ILE 82 Ca 0.44 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 3kow s ILE 82 Cb -0.31 -0.93 0.10 0.00 0.01 0.00 0.00 42.46 41.32 3kow s ILE 82 CO 0.40 -0.36 0.82 0.00 0.00 0.00 0.00 174.94 175.80 3kow s ALA 83 N 2.42 -1.93 0.00 9.38 0.00 -1.26 -4.38 121.76 125.99 3kow s ALA 83 Ca 0.10 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3kow s ALA 83 Cb -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3kow s ALA 83 CO -0.28 -0.33 0.00 -1.13 0.00 0.00 0.00 175.76 174.02 3kow n SER 84 N 3.24 3.30 0.00 0.00 3.41 -1.26 -4.70 113.62 117.61 3kow n SER 84 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3kow n SER 84 Cb 0.57 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3kow n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kow n GLY 85 N 2.54 1.25 2.98 5.00 0.00 -1.25 -4.45 105.19 111.25 3kow n GLY 85 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kow n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kow s ARG 86 N 0.00 1.60 0.00 1.61 0.52 -1.26 -2.07 118.95 119.35 3kow s ARG 86 Ca 0.00 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 3kow s ARG 86 Cb 0.00 -2.85 0.12 0.00 0.52 0.00 0.00 34.95 32.74 3kow s ARG 86 CO 0.00 -0.78 0.83 1.97 0.02 0.00 0.00 175.30 177.34 3kow n PHE 87 N 4.46 0.00 -0.04 -0.53 1.16 -1.26 -2.91 117.46 118.34 3kow n PHE 87 Ca -0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.35 3kow n PHE 87 Cb 0.42 -0.23 -0.13 0.00 -1.61 0.00 0.00 39.48 37.93 3kow n PHE 87 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 3kow h GLU 88 N 0.00 0.11 0.00 3.97 9.09 -2.01 -3.07 114.58 122.67 3kow h GLU 88 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 59.36 59.20 3kow h GLU 88 Cb 0.02 0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3kow h GLU 88 CO 0.00 1.09 -0.13 -0.44 0.05 0.00 0.00 179.01 179.58 3kow h ASP 89 N -0.74 0.00 1.38 3.06 3.32 -1.86 -2.66 116.42 118.92 3kow h ASP 89 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3kow h ASP 89 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3kow h ASP 89 CO 0.00 0.13 0.00 0.44 -1.72 0.00 0.00 179.24 178.09 3kow h ASP 90 N 0.00 0.00 0.25 6.45 5.19 -1.58 -3.01 116.42 123.71 3kow h ASP 90 Ca -0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.19 3kow h ASP 90 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3kow h ASP 90 CO 0.02 0.00 -0.86 0.40 -3.12 0.00 0.00 179.24 175.67 3kow h ILE 91 N 0.00 1.38 -0.33 0.35 2.04 -1.37 -2.57 117.51 117.00 3kow h ILE 91 Ca 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.52 3kow h ILE 91 Cb 0.69 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3kow h ILE 91 CO 0.00 0.69 0.04 0.03 0.00 0.00 0.00 178.15 178.91 3kow h ARG 92 N 0.28 0.56 -0.13 2.37 3.08 -1.63 -1.99 114.38 116.92 3kow h ARG 92 Ca -0.06 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.86 3kow h ARG 92 Cb 1.48 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 3kow h ARG 92 CO 0.15 0.66 0.11 -0.09 -1.07 0.00 0.00 179.97 179.73 3kow h ARG 93 N 0.38 0.00 -0.02 0.04 2.43 -1.55 -2.03 114.38 113.63 3kow h ARG 93 Ca 0.10 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.04 3kow h ARG 93 Cb 0.38 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3kow h ARG 93 CO 0.01 0.00 -0.92 0.52 -1.51 0.00 0.00 179.97 178.07 3kow h MET 94 N 0.00 0.49 -0.54 0.20 2.86 -0.95 0.17 114.93 117.15 3kow h MET 94 Ca 0.06 -0.50 -0.11 0.00 -2.06 0.00 0.00 59.70 57.10 3kow h MET 94 Cb 0.27 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3kow h MET 94 CO -0.00 1.14 -0.08 -0.09 1.06 0.00 0.00 176.91 178.94 3kow h ARG 95 N 0.29 1.01 0.36 1.72 2.43 -0.87 -0.91 114.38 118.40 3kow h ARG 95 Ca -0.08 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3kow h ARG 95 Cb 1.55 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 3kow h ARG 95 CO 0.17 1.04 -0.37 0.52 -1.51 0.00 0.00 179.97 179.81 3kow h MET 96 N 0.88 -0.74 -0.94 0.20 2.86 -1.32 -2.87 114.93 113.01 3kow h MET 96 Ca 0.14 0.05 0.20 0.00 -2.06 0.00 0.00 59.70 58.03 3kow h MET 96 Cb 0.64 0.17 -0.11 0.00 0.06 0.00 0.00 31.60 32.35 3kow h MET 96 CO 0.04 -0.49 0.52 0.00 1.06 0.00 0.00 176.91 178.04 3kow h ALA 97 N -0.33 1.55 -0.08 6.32 0.00 -0.30 -2.53 119.26 123.88 3kow h ALA 97 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kow h ALA 97 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kow h ALA 97 CO -0.07 -0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.04 3kow h ALA 98 N 1.66 0.11 -0.00 0.00 0.00 -0.98 -2.69 119.26 117.35 3kow h ALA 98 Ca 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kow h ALA 98 Cb 0.94 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kow h ALA 98 CO -0.43 -0.28 0.00 -1.49 0.00 0.00 0.00 179.25 177.06 3kow h TRP 99 N -0.06 0.00 -0.29 0.00 4.06 -1.25 0.33 115.95 118.75 3kow h TRP 99 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3kow h TRP 99 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3kow h TRP 99 CO -0.00 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 175.60 3kow n HIS 100 N -4.16 0.68 -0.02 0.49 8.25 -1.07 -2.20 115.22 117.18 3kow n HIS 100 Ca -0.03 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3kow n HIS 100 Cb 0.09 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3kow n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 101 N 0.64 0.48 3.76 -1.41 0.00 0.11 -4.50 105.19 104.26 3kow n GLY 101 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3kow n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow s ALA 102 N -2.18 3.57 -0.13 4.61 0.00 -1.04 -4.77 121.76 121.83 3kow s ALA 102 Ca 0.00 1.30 0.21 0.00 0.00 0.00 0.00 51.96 53.47 3kow s ALA 102 Cb 0.00 -3.53 0.45 0.00 0.00 0.00 0.00 23.12 20.04 3kow s ALA 102 CO 0.00 -0.71 1.17 -0.40 0.00 0.00 0.00 175.76 175.82 3kow n ASP 103 N 1.69 1.61 -3.26 0.00 5.75 -0.92 -4.31 116.55 117.12 3kow n ASP 103 Ca 0.04 -2.51 -0.03 0.00 -0.01 0.00 0.00 54.79 52.28 3kow n ASP 103 Cb 0.41 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 40.06 3kow n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kow s HIS 104 N -1.81 -1.21 -0.34 2.11 5.04 -1.12 -2.36 115.29 115.59 3kow s HIS 104 Ca 0.35 1.13 -0.13 0.00 -1.54 0.00 0.00 55.06 54.86 3kow s HIS 104 Cb 0.37 0.23 -0.01 0.00 0.04 0.00 0.00 32.58 33.20 3kow s HIS 104 CO -0.10 -0.83 0.24 0.42 -2.34 0.00 0.00 174.74 172.12 3kow s ILE 105 N 2.68 5.24 -0.14 0.89 -1.09 -0.01 -1.25 121.20 127.52 3kow s ILE 105 Ca 0.15 -0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 3kow s ILE 105 Cb -0.15 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3kow s ILE 105 CO -0.20 -0.03 0.03 -0.32 -1.23 0.00 0.00 174.94 173.19 3kow s MET 106 N 1.71 3.54 -0.25 2.79 1.75 -0.79 -1.39 119.30 126.67 3kow s MET 106 Ca 0.06 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.15 3kow s MET 106 Cb -0.18 -3.02 0.06 0.00 2.84 0.00 0.00 34.83 34.54 3kow s MET 106 CO 0.10 0.46 -0.10 0.08 -0.65 0.00 0.00 175.02 174.92 3kow s VAL 107 N -0.20 1.97 0.48 10.11 1.01 -0.36 -0.45 120.40 132.97 3kow s VAL 107 Ca 0.06 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 3kow s VAL 107 Cb -0.12 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 3kow s VAL 107 CO 0.02 -0.00 1.01 -0.63 0.00 0.00 0.00 175.10 175.50 3kow s ILE 108 N 1.20 4.00 0.10 2.22 1.09 -1.26 -4.46 121.20 124.09 3kow s ILE 108 Ca -0.07 1.21 -0.05 0.00 -1.10 0.00 0.00 60.65 60.64 3kow s ILE 108 Cb -0.19 -3.50 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 3kow s ILE 108 CO -0.06 -0.30 0.33 -0.13 -0.10 0.00 0.00 174.94 174.68 3kow s ARG 109 N -3.32 3.59 0.27 2.79 0.52 -1.25 -1.30 118.95 120.25 3kow s ARG 109 Ca 0.65 -0.12 -0.28 0.00 -0.52 0.00 0.00 55.73 55.45 3kow s ARG 109 Cb -0.14 -2.93 -0.15 0.00 0.52 0.00 0.00 34.95 32.25 3kow s ARG 109 CO 0.20 0.53 0.94 -2.37 0.02 0.00 0.00 175.30 174.62 3kow n THR 110 N 0.37 1.94 -1.27 0.02 5.66 -0.09 -4.40 114.28 116.50 3kow n THR 110 Ca -0.05 -0.49 -0.50 0.00 -3.05 0.00 0.00 64.05 59.97 3kow n THR 110 Cb 0.52 -0.83 -0.07 0.00 -1.55 0.00 0.00 70.33 68.40 3kow n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kow n ALA 111 N 0.25 -2.98 -1.21 1.79 0.00 -0.22 -1.28 120.51 116.86 3kow n ALA 111 Ca 0.11 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 53.97 3kow n ALA 111 Cb 0.30 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 3kow n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 112 N 1.43 0.79 0.35 0.00 0.00 -1.26 -4.83 105.19 101.67 3kow n GLY 112 Ca 0.17 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.26 3kow n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kow h GLN 113 N 0.11 0.00 -0.22 1.61 4.15 -1.49 0.33 115.11 119.61 3kow h GLN 113 Ca -0.15 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.33 3kow h GLN 113 Cb 0.92 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 3kow h GLN 113 CO 0.22 0.00 0.24 1.03 -1.93 0.00 0.00 178.83 178.39 3kow h SER 114 N 0.00 0.00 0.72 -0.69 0.87 -1.84 -1.07 113.55 111.54 3kow h SER 114 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kow h SER 114 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3kow h SER 114 CO -0.00 0.00 -0.83 1.41 -0.53 0.00 0.00 176.83 176.88 3kow n HIS 115 N -3.82 0.49 -1.68 2.24 8.25 0.12 -2.44 115.22 118.39 3kow n HIS 115 Ca 0.02 0.14 -0.46 0.00 -0.26 0.00 0.00 57.72 57.17 3kow n HIS 115 Cb 0.37 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 3kow n HIS 115 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kow n TYR 116 N -2.12 2.34 -2.44 4.41 4.02 -0.41 -4.83 117.16 118.14 3kow n TYR 116 Ca 0.02 0.13 -0.41 0.00 -0.01 0.00 0.00 57.90 57.63 3kow n TYR 116 Cb 0.45 -2.61 0.01 0.00 -0.02 0.00 0.00 39.34 37.18 3kow n TYR 116 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3kow n ASP 117 N 4.70 7.57 0.00 7.72 2.03 -1.26 -3.81 116.55 133.50 3kow n ASP 117 Ca 0.19 -3.51 0.00 0.00 0.52 0.00 0.00 54.79 51.99 3kow n ASP 117 Cb 0.30 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 3kow n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kow n GLY 118 N 0.53 2.97 3.67 0.27 0.00 -1.26 -4.95 105.19 106.43 3kow n GLY 118 Ca 0.52 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3kow n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kow s LEU 119 N 0.00 2.12 0.21 0.99 1.43 -1.26 -4.94 118.68 117.23 3kow s LEU 119 Ca 0.00 1.63 0.09 0.00 -1.03 0.00 0.00 54.13 54.81 3kow s LEU 119 Cb 0.00 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 3kow s LEU 119 CO 0.00 -2.99 -0.16 0.27 0.23 0.00 0.00 176.35 173.70 3kow s ILE 120 N -2.79 1.87 0.34 -0.59 -4.36 -1.26 -5.15 121.20 109.24 3kow s ILE 120 Ca 0.65 -2.19 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 3kow s ILE 120 Cb -0.20 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 3kow s ILE 120 CO 0.58 -0.52 0.15 -1.61 0.24 0.00 0.00 174.94 173.78 3kow s GLU 121 N -3.48 2.40 2.81 0.37 0.41 -1.26 -4.47 118.70 115.48 3kow s GLU 121 Ca 0.22 -1.52 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 3kow s GLU 121 Cb -0.02 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 3kow s GLU 121 CO 0.08 0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.38 3kow n GLY 122 N -1.16 -0.11 2.22 -1.39 0.00 -1.21 -4.57 105.19 98.97 3kow n GLY 122 Ca -0.03 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 3kow n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 123 N 0.00 -0.51 -0.97 2.61 -2.24 -1.26 -4.57 114.28 107.33 3kow n THR 123 Ca 0.00 -4.02 -0.29 0.00 -2.27 0.00 0.00 64.05 57.47 3kow n THR 123 Cb 0.00 -1.29 0.17 0.00 -2.10 0.00 0.00 70.33 67.11 3kow n THR 123 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kow s PRO 124 N -1.42 0.60 -0.05 -0.78 0.02 -1.26 -3.67 135.00 128.44 3kow s PRO 124 Ca 0.36 0.90 -0.29 0.00 0.02 0.00 0.00 61.00 61.99 3kow s PRO 124 Cb 0.22 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.99 3kow s PRO 124 CO -0.11 -2.71 0.96 -1.14 -0.33 0.00 0.00 177.00 173.67 3kow s GLN 125 N -4.78 4.49 0.54 5.54 0.74 -1.26 -4.71 119.66 120.22 3kow s GLN 125 Ca 0.65 1.34 0.09 0.00 0.05 0.00 0.00 55.36 57.49 3kow s GLN 125 Cb -0.20 -3.49 0.06 0.00 1.10 0.00 0.00 33.01 30.48 3kow s GLN 125 CO 0.59 -0.14 0.69 0.20 -0.55 0.00 0.00 175.29 176.08 3kow s GLY 126 N 1.03 1.87 -0.27 2.59 0.00 -0.88 -4.99 107.32 106.66 3kow s GLY 126 Ca 0.49 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3kow s GLY 126 CO 0.23 -1.69 -0.03 -0.42 0.00 0.00 0.00 173.10 171.19 3kow s ILE 127 N -2.63 1.77 -1.47 0.90 -1.09 -1.26 -4.58 121.20 112.85 3kow s ILE 127 Ca 0.56 -1.58 -0.08 0.00 -2.23 0.00 0.00 60.65 57.33 3kow s ILE 127 Cb -0.06 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.76 3kow s ILE 127 CO 0.35 -0.25 0.82 0.61 -1.23 0.00 0.00 174.94 175.24 3kow n GLY 128 N 4.54 -0.52 0.00 6.18 0.00 -1.26 -1.05 105.19 113.08 3kow n GLY 128 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3kow n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 129 N -1.65 2.55 3.75 -0.02 0.00 -1.26 -4.26 105.19 104.30 3kow n GLY 129 Ca -0.04 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3kow n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 130 N -2.00 4.59 0.18 1.61 1.01 -0.42 -3.63 120.40 121.74 3kow s VAL 130 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 3kow s VAL 130 Cb 0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 3kow s VAL 130 CO 0.00 0.39 1.07 -2.84 0.00 0.00 0.00 175.10 173.73 3kow s PRO 131 N -0.32 4.63 -0.44 2.72 0.02 -1.26 -0.92 135.00 139.44 3kow s PRO 131 Ca 0.39 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 62.92 3kow s PRO 131 Cb -0.22 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.05 3kow s PRO 131 CO 0.25 0.13 0.42 0.42 -0.33 0.00 0.00 177.00 177.88 3kow s ILE 132 N -0.30 5.13 0.17 2.83 -1.09 -1.26 -4.92 121.20 121.76 3kow s ILE 132 Ca 0.48 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 3kow s ILE 132 Cb -0.28 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 3kow s ILE 132 CO 0.34 -0.46 0.07 0.35 -1.23 0.00 0.00 174.94 174.01 3kow n THR 133 N 5.35 0.00 0.11 2.92 -2.24 -1.26 -4.49 114.28 114.67 3kow n THR 133 Ca -0.09 -1.03 -0.20 0.00 -2.27 0.00 0.00 64.05 60.46 3kow n THR 133 Cb 0.46 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.94 3kow n THR 133 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3kow h ARG 134 N 0.00 0.38 -0.11 -0.78 2.43 -1.84 -2.38 114.38 112.09 3kow h ARG 134 Ca -0.13 -0.65 0.02 0.00 -0.81 0.00 0.00 59.98 58.41 3kow h ARG 134 Cb 0.52 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3kow h ARG 134 CO 0.21 1.30 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.70 3kow h LYS 135 N 0.10 -0.03 -0.42 0.20 3.64 -1.82 -1.33 116.57 116.91 3kow h LYS 135 Ca -0.22 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 3kow h LYS 135 Cb 2.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.87 3kow h LYS 135 CO 0.22 -0.02 -0.09 0.37 -2.27 0.00 0.00 179.45 177.67 3kow h GLN 136 N -0.03 0.73 0.00 1.90 -0.00 -1.82 -0.63 115.11 115.27 3kow h GLN 136 Ca 0.06 -0.23 -0.09 0.00 -0.00 0.00 0.00 58.65 58.39 3kow h GLN 136 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 3kow h GLN 136 CO -0.13 0.80 -0.43 0.28 0.00 0.00 0.00 178.83 179.35 3kow h VAL 137 N 0.67 1.04 0.17 2.39 2.07 -1.28 -1.94 116.25 119.37 3kow h VAL 137 Ca 0.12 -1.65 -0.31 0.00 0.82 0.00 0.00 66.70 65.68 3kow h VAL 137 Cb 0.54 1.97 0.03 0.00 -1.52 0.00 0.00 31.29 32.31 3kow h VAL 137 CO 0.03 0.42 -1.32 0.03 0.02 0.00 0.00 177.57 176.75 3kow h ARG 138 N 0.00 0.51 0.03 1.57 3.08 -0.69 -1.78 114.38 117.10 3kow h ARG 138 Ca -0.00 -0.78 -0.00 0.00 0.07 0.00 0.00 59.98 59.27 3kow h ARG 138 Cb 0.93 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3kow h ARG 138 CO 0.06 1.36 -0.01 0.00 -1.07 0.00 0.00 179.97 180.30 3kow h ALA 139 N 0.32 -0.04 -0.18 0.04 0.00 -1.08 -0.64 119.26 117.68 3kow h ALA 139 Ca -0.20 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3kow h ALA 139 Cb 2.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 3kow h ALA 139 CO 0.24 -0.51 -0.25 1.96 0.00 0.00 0.00 179.25 180.69 3kow h GLN 140 N -0.07 0.49 0.00 0.00 4.20 -1.45 -1.34 115.11 116.94 3kow h GLN 140 Ca -0.00 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3kow h GLN 140 Cb 0.06 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kow h GLN 140 CO 0.01 0.88 0.00 -0.09 -0.67 0.00 0.00 178.83 178.95 3kow h ARG 141 N 0.14 0.00 0.16 1.46 9.65 -1.34 -0.84 114.38 123.60 3kow h ARG 141 Ca 0.02 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.56 3kow h ARG 141 Cb 0.83 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 3kow h ARG 141 CO 0.06 0.00 -1.72 -0.22 2.80 0.00 0.00 179.97 180.89 3kow h LYS 142 N 0.00 0.33 -0.07 0.20 3.64 -0.93 -3.24 116.57 116.50 3kow h LYS 142 Ca 0.00 -0.57 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3kow h LYS 142 Cb 0.23 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3kow h LYS 142 CO 0.00 1.27 0.03 0.00 -2.27 0.00 0.00 179.45 178.48 3kow h ALA 143 N 0.06 0.09 -0.25 5.00 0.00 -0.86 -2.37 119.26 120.92 3kow h ALA 143 Ca -0.35 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3kow h ALA 143 Cb 2.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3kow h ALA 143 CO 0.13 -0.35 0.32 -0.07 0.00 0.00 0.00 179.25 179.29 3kow h LEU 144 N -0.02 0.00 -0.70 0.00 3.38 -1.32 0.31 115.31 116.97 3kow h LEU 144 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3kow h LEU 144 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kow h LEU 144 CO -0.00 0.00 -0.48 0.44 0.09 0.00 0.00 178.44 178.49 3kow h ASP 145 N 0.00 0.00 0.00 -0.43 5.19 -1.45 0.28 116.42 120.01 3kow h ASP 145 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3kow h ASP 145 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 3kow h ASP 145 CO -0.00 0.48 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.51 3kow h LEU 146 N 0.00 0.00 -0.97 1.55 3.38 -0.93 -3.14 115.31 115.19 3kow h LEU 146 Ca -0.00 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.30 3kow h LEU 146 Cb 1.06 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 3kow h LEU 146 CO 0.06 0.31 0.25 -0.38 0.09 0.00 0.00 178.44 178.77 3kow n ILE 147 N -3.70 -0.41 -0.03 1.22 5.41 -0.42 -0.35 119.36 121.09 3kow n ILE 147 Ca -0.00 2.07 -0.13 0.00 1.00 0.00 0.00 62.75 65.69 3kow n ILE 147 Cb 0.01 -3.17 -0.08 0.00 -0.71 0.00 0.00 39.64 35.69 3kow n ILE 147 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 3kow h GLU 148 N 0.00 0.18 0.00 0.38 4.11 -0.58 -2.03 114.58 116.63 3kow h GLU 148 Ca 0.70 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 60.05 3kow h GLU 148 Cb 1.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 3kow h GLU 148 CO -0.84 0.55 0.00 0.39 0.07 0.00 0.00 179.01 179.17 3kow n GLU 149 N -4.75 0.15 -0.05 1.06 1.02 0.53 -0.89 120.64 117.71 3kow n GLU 149 Ca -0.07 0.60 -0.02 0.00 -0.02 0.00 0.00 57.16 57.64 3kow n GLU 149 Cb 0.27 -1.94 -0.02 0.00 -0.02 0.00 0.00 31.44 29.73 3kow n GLU 149 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3kow h GLU 150 N 0.00 0.00 0.00 3.49 4.81 -0.22 -3.36 114.58 119.30 3kow h GLU 150 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kow h GLU 150 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kow h GLU 150 CO 0.00 0.12 -0.03 -0.39 -0.73 0.00 0.00 179.01 177.98 3kow h VAL 151 N -1.00 0.07 -1.72 0.32 -1.51 -1.23 -3.43 116.25 107.75 3kow h VAL 151 Ca -0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3kow h VAL 151 Cb 0.17 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3kow h VAL 151 CO -0.00 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 3kow n GLY 152 N 0.07 0.51 0.00 5.19 0.00 -0.07 -1.50 105.19 109.39 3kow n GLY 152 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3kow n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kow n ARG 153 N -0.86 0.00 -1.73 1.61 0.63 -1.18 -4.57 116.66 110.56 3kow n ARG 153 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 3kow n ARG 153 Cb 0.41 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.35 3kow n ARG 153 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3kow n PRO 154 N -0.00 1.73 -4.85 -0.14 -0.02 -1.26 -4.74 135.00 125.72 3kow n PRO 154 Ca 0.00 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3kow n PRO 154 Cb 0.00 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 30.79 3kow n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kow s ILE 155 N -1.28 1.86 -0.24 4.25 1.01 -1.26 -4.92 121.20 120.62 3kow s ILE 155 Ca 0.69 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 3kow s ILE 155 Cb -0.43 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3kow s ILE 155 CO 0.51 0.51 1.03 0.20 0.00 0.00 0.00 174.94 177.20 3kow s ASN 156 N 0.63 7.08 0.13 3.58 0.01 -0.99 -4.96 114.94 120.41 3kow s ASN 156 Ca -0.13 1.34 -0.23 0.00 -0.71 0.00 0.00 52.86 53.13 3kow s ASN 156 Cb -0.16 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.89 3kow s ASN 156 CO 0.03 -0.68 0.70 -0.47 -1.51 0.00 0.00 177.10 175.18 3kow s TYR 157 N 3.21 3.87 -0.12 2.20 5.04 -1.26 -0.83 117.35 129.46 3kow s TYR 157 Ca 0.44 1.50 -0.14 0.00 -2.44 0.00 0.00 57.07 56.43 3kow s TYR 157 Cb -0.15 -2.68 0.04 0.00 0.35 0.00 0.00 41.96 39.52 3kow s TYR 157 CO 0.07 0.53 0.37 -1.58 -1.34 0.00 0.00 175.55 173.60 3kow s HIS 158 N -1.10 -0.38 0.00 4.97 5.65 -0.49 -0.45 115.29 123.50 3kow s HIS 158 Ca 0.33 0.89 0.00 0.00 0.25 0.00 0.00 55.06 56.54 3kow s HIS 158 Cb -0.22 0.14 0.00 0.00 -1.18 0.00 0.00 32.58 31.32 3kow s HIS 158 CO 0.24 -0.24 0.00 0.45 -0.65 0.00 0.00 174.74 174.54 3kow n SER 159 N 2.57 0.00 -4.11 9.88 2.88 -1.11 -1.22 113.62 122.52 3kow n SER 159 Ca -0.15 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.12 3kow n SER 159 Cb 0.57 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.87 3kow n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kow s TYR 160 N -1.17 1.84 -0.67 0.66 2.02 -1.26 -0.22 117.35 118.55 3kow s TYR 160 Ca 0.00 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3kow s TYR 160 Cb 0.00 -1.28 0.21 0.00 -0.40 0.00 0.00 41.96 40.49 3kow s TYR 160 CO 0.00 -0.30 0.61 0.28 -1.57 0.00 0.00 175.55 174.57 3kow n VAL 161 N 3.59 1.90 -4.18 0.71 0.31 -0.89 -4.92 118.33 114.85 3kow n VAL 161 Ca -0.21 -5.00 -0.11 0.00 -0.01 0.00 0.00 64.34 59.02 3kow n VAL 161 Cb 0.52 -2.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.22 3kow n VAL 161 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3kow s SER 162 N -1.91 1.19 0.21 4.52 0.01 -1.26 -4.66 113.70 111.80 3kow s SER 162 Ca 0.32 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.57 3kow s SER 162 Cb 0.05 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.37 3kow s SER 162 CO -0.10 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.71 3kow n GLY 163 N -0.06 -2.04 0.07 3.44 0.00 -1.26 -4.21 105.19 101.13 3kow n GLY 163 Ca -0.12 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.61 3kow n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kow n VAL 164 N -2.94 0.47 -1.31 1.61 0.24 -1.02 -0.90 118.33 114.49 3kow n VAL 164 Ca 0.01 0.60 -0.06 0.00 -2.04 0.00 0.00 64.34 62.85 3kow n VAL 164 Cb 0.39 -1.60 0.21 0.00 -1.47 0.00 0.00 33.84 31.38 3kow n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kow n ALA 165 N -1.25 4.34 -0.03 2.33 0.00 -1.25 -4.78 120.51 119.87 3kow n ALA 165 Ca -0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 53.44 50.53 3kow n ALA 165 Cb 0.43 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3kow n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 166 N -0.96 -2.85 0.30 0.00 0.00 -0.07 -2.16 105.19 99.45 3kow n GLY 166 Ca 0.37 0.59 0.15 0.00 0.00 0.00 0.00 46.02 47.13 3kow n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kow h PRO 167 N 0.00 0.00 0.38 1.61 0.11 -1.90 -2.15 132.00 130.05 3kow h PRO 167 Ca 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3kow h PRO 167 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3kow h PRO 167 CO -0.07 0.00 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.10 3kow h ASP 168 N 0.00 -0.43 -0.69 -2.05 3.45 -1.83 -1.70 116.42 113.17 3kow h ASP 168 Ca -0.00 0.01 0.12 0.00 0.43 0.00 0.00 57.03 57.59 3kow h ASP 168 Cb 0.01 0.11 -0.08 0.00 -0.56 0.00 0.00 39.33 38.81 3kow h ASP 168 CO 0.00 -0.07 0.26 0.40 -1.57 0.00 0.00 179.24 178.27 3kow h ILE 169 N -0.99 0.71 -0.72 0.35 2.04 -1.42 0.26 117.51 117.73 3kow h ILE 169 Ca -0.05 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.71 3kow h ILE 169 Cb 0.39 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3kow h ILE 169 CO 0.09 0.08 0.43 0.00 0.00 0.00 0.00 178.15 178.74 3kow h ALA 170 N 1.49 0.96 -0.41 1.87 0.00 -1.44 0.64 119.26 122.37 3kow h ALA 170 Ca 0.36 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3kow h ALA 170 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kow h ALA 170 CO -0.36 0.15 0.02 0.28 0.00 0.00 0.00 179.25 179.34 3kow h VAL 171 N 0.80 1.26 -0.61 0.00 2.07 -0.05 -1.65 116.25 118.07 3kow h VAL 171 Ca 0.31 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3kow h VAL 171 Cb 0.13 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3kow h VAL 171 CO -0.15 0.34 0.19 -0.03 0.02 0.00 0.00 177.57 177.93 3kow h MET 172 N 0.56 0.92 -0.24 1.57 -1.53 0.39 -1.12 114.93 115.48 3kow h MET 172 Ca 0.12 -0.18 -0.05 0.00 -3.44 0.00 0.00 59.70 56.15 3kow h MET 172 Cb 0.46 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 3kow h MET 172 CO 0.02 0.80 -0.09 0.74 0.14 0.00 0.00 176.91 178.51 3kow h PHE 173 N 0.90 0.40 0.20 1.39 -1.00 0.64 -1.85 116.94 117.62 3kow h PHE 173 Ca 0.20 -0.05 -0.31 0.00 2.81 0.00 0.00 57.97 60.62 3kow h PHE 173 Cb 0.26 -0.11 0.03 0.00 3.61 0.00 0.00 35.95 39.74 3kow h PHE 173 CO 0.02 0.47 -1.35 0.00 -1.61 0.00 0.00 178.31 175.85 3kow h ALA 174 N 1.55 -0.11 -0.70 2.45 0.00 -0.75 -1.10 119.26 120.60 3kow h ALA 174 Ca 0.07 -0.81 0.06 0.00 0.00 0.00 0.00 54.91 54.23 3kow h ALA 174 Cb 0.39 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3kow h ALA 174 CO 0.02 0.66 0.40 0.93 0.00 0.00 0.00 179.25 181.26 3kow h GLU 175 N 0.15 0.70 -0.50 0.00 5.08 -1.13 -3.19 114.58 115.69 3kow h GLU 175 Ca -0.23 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3kow h GLU 175 Cb 2.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 3kow h GLU 175 CO 0.25 0.47 0.03 0.39 -1.00 0.00 0.00 179.01 179.15 3kow n GLU 176 N -4.77 4.19 -2.74 2.33 -0.58 -0.70 -4.88 120.64 113.49 3kow n GLU 176 Ca 0.09 -3.07 -0.18 0.00 -0.42 0.00 0.00 57.16 53.58 3kow n GLU 176 Cb 0.18 -2.14 0.02 0.00 -0.57 0.00 0.00 31.44 28.93 3kow n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kow n GLY 177 N 0.19 -0.30 3.77 0.62 0.00 -0.83 -4.87 105.19 103.77 3kow n GLY 177 Ca 0.27 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3kow n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 178 N -3.01 3.04 -0.12 1.61 1.01 -0.48 -4.79 120.40 117.67 3kow s VAL 178 Ca 0.19 0.97 0.22 0.00 0.00 0.00 0.00 61.98 63.36 3kow s VAL 178 Cb -0.08 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.52 3kow s VAL 178 CO 0.23 0.18 0.73 0.59 0.00 0.00 0.00 175.10 176.82 3kow n ASN 179 N 0.56 0.38 -3.73 3.32 4.13 0.41 -4.58 115.26 115.75 3kow n ASN 179 Ca 0.02 0.15 -0.06 0.00 1.68 0.00 0.00 54.58 56.36 3kow n ASN 179 Cb 0.44 1.31 -0.01 0.00 -1.54 0.00 0.00 39.78 39.98 3kow n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kow s GLY 180 N -4.46 -0.09 0.02 7.41 0.00 -1.09 -2.01 107.32 107.10 3kow s GLY 180 Ca -0.05 -0.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 3kow s GLY 180 CO 0.86 0.02 0.66 0.00 0.00 0.00 0.00 173.10 174.63 3kow s ALA 181 N -3.50 -1.71 0.17 3.20 0.00 -0.62 -2.76 121.76 116.54 3kow s ALA 181 Ca 0.12 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 3kow s ALA 181 Cb -0.04 0.30 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 3kow s ALA 181 CO 0.06 -0.51 0.79 -1.01 0.00 0.00 0.00 175.76 175.09 3kow s HIS 182 N -2.06 3.91 -0.30 0.00 3.76 0.69 -1.40 115.29 119.89 3kow s HIS 182 Ca -0.07 1.65 -0.10 0.00 -0.15 0.00 0.00 55.06 56.39 3kow s HIS 182 Cb -0.00 -2.78 0.13 0.00 1.11 0.00 0.00 32.58 31.04 3kow s HIS 182 CO 0.02 0.51 0.67 -1.14 -0.85 0.00 0.00 174.74 173.95 3kow s GLN 183 N -1.13 0.56 -0.23 1.40 -0.44 -0.38 -2.08 119.66 117.35 3kow s GLN 183 Ca 0.36 1.40 -0.03 0.00 -2.50 0.00 0.00 55.36 54.59 3kow s GLN 183 Cb -0.23 0.84 0.12 0.00 -1.64 0.00 0.00 33.01 32.10 3kow s GLN 183 CO 0.27 -0.20 0.32 0.34 0.50 0.00 0.00 175.29 176.52 3kow s ASP 184 N 2.87 0.67 0.38 6.67 -1.08 -1.26 -4.54 116.67 120.38 3kow s ASP 184 Ca -0.05 0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.27 3kow s ASP 184 Cb -0.12 0.84 1.32 0.00 -1.46 0.00 0.00 42.92 43.50 3kow s ASP 184 CO -0.19 -0.31 1.46 -2.65 0.52 0.00 0.00 175.17 174.00 3kow n PRO 185 N 5.35 -0.04 0.02 4.34 -0.02 -1.26 -1.76 135.00 141.62 3kow n PRO 185 Ca -0.04 1.22 -0.07 0.00 -2.02 0.00 0.00 63.50 62.59 3kow n PRO 185 Cb 0.50 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3kow n PRO 185 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3kow h GLN 186 N 0.00 0.00 -0.62 -0.52 4.20 -1.96 -2.91 115.11 113.30 3kow h GLN 186 Ca 0.80 0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.64 3kow h GLN 186 Cb 2.36 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 30.03 3kow h GLN 186 CO -0.58 0.68 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.31 3kow h TYR 187 N 0.00 -0.11 -0.22 2.96 3.20 -1.70 -1.07 116.97 120.03 3kow h TYR 187 Ca -0.16 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.81 3kow h TYR 187 Cb 1.87 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 40.23 3kow h TYR 187 CO 0.00 -0.19 -0.11 -0.91 -1.64 0.00 0.00 178.16 175.31 3kow h ASN 188 N 0.09 -0.38 0.00 -2.11 2.35 -1.50 -1.59 115.58 112.44 3kow h ASN 188 Ca 0.32 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3kow h ASN 188 Cb 0.52 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3kow h ASN 188 CO -0.56 -0.15 0.00 0.52 -1.65 0.00 0.00 177.43 175.60 3kow n VAL 189 N -5.27 0.00 -0.25 2.81 0.31 -0.88 -1.58 118.33 113.47 3kow n VAL 189 Ca -0.01 0.62 0.01 0.00 -0.01 0.00 0.00 64.34 64.95 3kow n VAL 189 Cb 0.19 -1.26 0.08 0.00 -0.91 0.00 0.00 33.84 31.95 3kow n VAL 189 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kow h LEU 190 N 0.00 -0.65 0.01 7.52 3.38 -1.33 -1.72 115.31 122.51 3kow h LEU 190 Ca 0.00 0.21 -0.36 0.00 0.09 0.00 0.00 57.88 57.83 3kow h LEU 190 Cb 0.00 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3kow h LEU 190 CO 0.00 -0.23 -2.24 -1.22 0.09 0.00 0.00 178.44 174.84 3kow n TYR 191 N -5.47 0.30 0.14 1.13 4.01 -0.61 -4.37 117.16 112.30 3kow n TYR 191 Ca 0.10 0.10 0.09 0.00 -0.16 0.00 0.00 57.90 58.02 3kow n TYR 191 Cb 0.37 -1.05 0.18 0.00 -0.31 0.00 0.00 39.34 38.53 3kow n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kow n ARG 192 N -2.96 2.26 -3.91 -0.72 5.12 -1.09 -4.98 116.66 110.39 3kow n ARG 192 Ca -0.32 -2.06 -0.35 0.00 -1.93 0.00 0.00 57.85 53.20 3kow n ARG 192 Cb 1.10 -1.40 0.01 0.00 -1.16 0.00 0.00 32.46 31.01 3kow n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kow n ASN 193 N 1.10 -3.41 -4.60 0.55 5.15 -0.65 -4.84 115.26 108.55 3kow n ASN 193 Ca 0.15 -1.12 -0.34 0.00 -0.60 0.00 0.00 54.58 52.67 3kow n ASN 193 Cb 0.50 -2.67 -0.10 0.00 -0.53 0.00 0.00 39.78 36.98 3kow n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kow s ILE 194 N -3.66 4.41 -0.18 -1.44 1.01 -0.61 -1.76 121.20 118.97 3kow s ILE 194 Ca 0.34 -0.18 -0.42 0.00 0.00 0.00 0.00 60.65 60.40 3kow s ILE 194 Cb -0.15 -2.95 -0.19 0.00 0.01 0.00 0.00 42.46 39.18 3kow s ILE 194 CO 0.91 0.50 1.36 -3.20 0.00 0.00 0.00 174.94 174.51 3kow n ASN 195 N 3.26 0.90 0.31 3.58 2.85 -0.65 -4.09 115.26 121.41 3kow n ASN 195 Ca -0.17 1.15 0.20 0.00 -0.11 0.00 0.00 54.58 55.65 3kow n ASN 195 Cb 0.53 -0.97 0.96 0.00 1.24 0.00 0.00 39.78 41.53 3kow n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kow h MET 196 N 4.35 0.00 0.00 1.20 -0.00 -1.82 -0.91 114.93 117.75 3kow h MET 196 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 3kow h MET 196 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.98 3kow h MET 196 CO 0.81 0.00 -0.04 0.82 -0.00 0.00 0.00 176.91 178.50 3kow h ILE 197 N 0.00 0.00 -0.48 -0.10 2.04 -1.86 -2.73 117.51 114.38 3kow h ILE 197 Ca 0.00 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.71 3kow h ILE 197 Cb 0.24 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.23 3kow h ILE 197 CO 0.00 0.00 -0.00 -1.14 0.00 0.00 0.00 178.15 177.01 3kow n ARG 198 N -2.82 -0.04 -0.03 2.37 3.00 -1.20 -1.72 116.66 116.23 3kow n ARG 198 Ca -0.01 0.72 -0.13 0.00 -0.00 0.00 0.00 57.85 58.43 3kow n ARG 198 Cb 0.02 -1.14 -0.10 0.00 0.00 0.00 0.00 32.46 31.24 3kow n ARG 198 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kow h SER 199 N 0.00 0.02 0.66 6.15 0.87 -1.23 -2.06 113.55 117.96 3kow h SER 199 Ca 0.29 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3kow h SER 199 Cb 0.58 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3kow h SER 199 CO -0.46 0.60 0.00 -0.26 -0.53 0.00 0.00 176.83 176.18 3kow h PHE 200 N -0.57 0.00 0.00 2.24 -1.00 -1.00 -1.40 116.94 115.21 3kow h PHE 200 Ca 0.00 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 3kow h PHE 200 Cb 0.60 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 3kow h PHE 200 CO 0.13 0.00 -1.30 0.82 -1.61 0.00 0.00 178.31 176.35 3kow h ILE 201 N 0.00 0.69 -0.52 -0.55 2.04 -1.38 -3.29 117.51 114.50 3kow h ILE 201 Ca 0.00 -2.23 -0.07 0.00 1.00 0.00 0.00 64.86 63.56 3kow h ILE 201 Cb 0.33 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3kow h ILE 201 CO 0.00 0.39 0.07 0.44 0.00 0.00 0.00 178.15 179.05 3kow h ASP 202 N 0.00 0.84 0.63 1.72 5.19 -0.54 -3.19 116.42 121.07 3kow h ASP 202 Ca -0.15 -0.27 -0.05 0.00 -0.62 0.00 0.00 57.03 55.94 3kow h ASP 202 Cb 1.64 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.92 3kow h ASP 202 CO 0.06 0.90 -0.25 0.00 -3.12 0.00 0.00 179.24 176.83 3kow h ALA 203 N 0.97 1.15 0.29 3.45 0.00 -1.48 -1.18 119.26 122.47 3kow h ALA 203 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kow h ALA 203 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kow h ALA 203 CO 0.01 0.31 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 3kow h GLU 205 N -0.47 -0.10 -0.03 0.00 4.57 -1.57 -2.25 114.58 114.73 3kow h GLU 205 Ca -0.04 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3kow h GLU 205 Cb 0.36 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3kow h GLU 205 CO 0.07 -0.00 -0.04 0.77 -1.18 0.00 0.00 179.01 178.63 3kow h SER 206 N -0.17 -0.13 -0.89 1.04 0.02 -1.18 -1.73 113.55 110.51 3kow h SER 206 Ca -0.01 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.13 3kow h SER 206 Cb 0.14 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3kow h SER 206 CO 0.02 -0.03 0.58 0.11 -1.14 0.00 0.00 176.83 176.37 3kow h LYS 207 N -0.02 0.52 -0.18 3.45 1.57 -1.16 -0.90 116.57 119.85 3kow h LYS 207 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kow h LYS 207 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3kow h LYS 207 CO -0.04 0.34 0.07 1.15 -0.57 0.00 0.00 179.45 180.40 3kow h THR 208 N 0.54 1.17 -0.37 -0.16 2.02 -0.89 0.78 112.91 116.00 3kow h THR 208 Ca 0.46 -0.52 0.08 0.00 0.77 0.00 0.00 66.41 67.20 3kow h THR 208 Cb 0.95 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.46 3kow h THR 208 CO -0.20 0.16 -0.21 0.40 0.37 0.00 0.00 175.52 176.04 3kow h ILE 209 N 0.13 0.40 -0.44 3.11 1.08 -0.31 -1.83 117.51 119.65 3kow h ILE 209 Ca 0.06 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3kow h ILE 209 Cb 0.20 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3kow h ILE 209 CO -0.00 0.00 0.08 0.24 -0.69 0.00 0.00 178.15 177.77 3kow h MET 210 N -0.15 0.67 -0.71 2.37 2.86 -1.04 -1.58 114.93 117.35 3kow h MET 210 Ca 0.18 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3kow h MET 210 Cb 0.44 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3kow h MET 210 CO -0.47 0.63 0.26 0.00 1.06 0.00 0.00 176.91 178.40 3kow h ALA 211 N 1.44 0.93 -0.41 6.32 0.00 -0.65 -1.92 119.26 124.97 3kow h ALA 211 Ca 0.14 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3kow h ALA 211 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kow h ALA 211 CO 0.00 0.57 0.28 2.35 0.00 0.00 0.00 179.25 182.45 3kow h TRP 212 N 1.03 0.23 -0.65 0.00 7.01 -0.43 -2.14 115.95 121.00 3kow h TRP 212 Ca 0.23 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 3kow h TRP 212 Cb 0.25 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 3kow h TRP 212 CO 0.02 0.12 0.00 0.00 -2.79 0.00 0.00 178.44 175.79 3kow n ALA 213 N -2.55 2.75 -2.30 2.65 0.00 -0.95 -4.93 120.51 115.17 3kow n ALA 213 Ca 0.06 -1.35 -0.17 0.00 0.00 0.00 0.00 53.44 51.98 3kow n ALA 213 Cb 0.32 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3kow n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kow n ASP 214 N 1.27 -4.89 -4.81 0.00 2.03 -0.81 -3.63 116.55 105.72 3kow n ASP 214 Ca 0.24 0.13 -0.34 0.00 0.52 0.00 0.00 54.79 55.33 3kow n ASP 214 Cb 0.72 -4.14 -0.07 0.00 -0.72 0.00 0.00 41.12 36.91 3kow n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kow s MET 215 N -4.84 4.32 0.36 -0.67 -1.94 -0.74 -2.77 119.30 113.02 3kow s MET 215 Ca 0.00 1.17 -0.25 0.00 -1.71 0.00 0.00 55.69 54.90 3kow s MET 215 Cb 0.00 -2.35 -0.09 0.00 2.01 0.00 0.00 34.83 34.40 3kow s MET 215 CO 0.00 0.05 1.01 0.00 -0.01 0.00 0.00 175.02 176.08 3kow s ALA 216 N -2.03 3.16 -0.15 3.03 0.00 -0.85 -4.79 121.76 120.12 3kow s ALA 216 Ca 0.59 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3kow s ALA 216 Cb -0.12 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3kow s ALA 216 CO 0.16 -0.06 -0.11 -1.14 0.00 0.00 0.00 175.76 174.61 3kow s GLN 217 N -2.26 2.00 -0.13 0.00 -0.44 -0.22 -1.58 119.66 117.03 3kow s GLN 217 Ca 0.54 -0.53 -0.05 0.00 -2.50 0.00 0.00 55.36 52.81 3kow s GLN 217 Cb -0.21 -2.04 -0.04 0.00 -1.64 0.00 0.00 33.01 29.08 3kow s GLN 217 CO 0.27 -0.29 0.06 0.42 0.50 0.00 0.00 175.29 176.25 3kow s ILE 218 N 1.54 4.82 0.61 -2.34 1.01 -0.50 -1.22 121.20 125.12 3kow s ILE 218 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 3kow s ILE 218 Cb -0.14 -3.11 0.13 0.00 0.01 0.00 0.00 42.46 39.36 3kow s ILE 218 CO -0.09 0.55 0.83 -0.90 0.00 0.00 0.00 174.94 175.33 3kow n ASP 219 N 2.63 0.73 -1.10 3.58 5.68 -1.15 -1.25 116.55 125.67 3kow n ASP 219 Ca -0.18 -1.71 0.08 0.00 -0.50 0.00 0.00 54.79 52.48 3kow n ASP 219 Cb 0.53 -0.57 0.27 0.00 -1.14 0.00 0.00 41.12 40.21 3kow n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kow n GLY 223 N -1.03 3.39 0.25 6.12 0.00 -1.26 -4.63 105.19 108.04 3kow n GLY 223 Ca 0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 3kow n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h ALA 224 N 2.56 1.21 -0.95 4.61 0.00 -1.95 -2.39 119.26 122.35 3kow h ALA 224 Ca 0.00 -0.29 0.27 0.00 0.00 0.00 0.00 54.91 54.89 3kow h ALA 224 Cb 1.36 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3kow h ALA 224 CO 0.21 0.51 0.46 1.12 0.00 0.00 0.00 179.25 181.55 3kow h HIS 225 N 0.46 0.74 0.00 0.00 2.07 -1.84 0.58 115.15 117.17 3kow h HIS 225 Ca 0.08 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 3kow h HIS 225 Cb 0.53 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3kow h HIS 225 CO 0.02 -0.12 0.44 -0.91 -3.07 0.00 0.00 177.93 174.29 3kow h ASN 226 N 0.35 0.00 -0.13 3.10 2.35 -1.79 0.12 115.58 119.58 3kow h ASN 226 Ca 0.64 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.30 3kow h ASN 226 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3kow h ASN 226 CO -0.59 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 174.93 3kow h ALA 227 N 0.82 0.20 -0.02 -0.83 0.00 -0.01 -3.03 119.26 116.40 3kow h ALA 227 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3kow h ALA 227 Cb 0.89 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kow h ALA 227 CO 0.00 0.20 0.03 -0.91 0.00 0.00 0.00 179.25 178.57 3kow h ASN 228 N -0.00 0.00 0.22 0.00 4.21 -0.90 -1.21 115.58 117.89 3kow h ASN 228 Ca 0.00 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 3kow h ASN 228 Cb 0.86 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 3kow h ASN 228 CO 0.06 0.00 -0.62 0.00 -1.29 0.00 0.00 177.43 175.58 3kow h ALA 229 N 1.97 0.73 0.00 -0.83 0.00 -1.53 -3.27 119.26 116.32 3kow h ALA 229 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kow h ALA 229 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kow h ALA 229 CO -0.00 0.72 -1.83 0.25 0.00 0.00 0.00 179.25 178.39 3kow n THR 230 N -3.89 0.00 -1.68 0.00 -2.24 -0.87 -4.95 114.28 100.65 3kow n THR 230 Ca -0.03 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 60.88 3kow n THR 230 Cb 0.64 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3kow n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow n ALA 231 N -2.13 1.44 -0.13 6.98 0.00 -0.51 -4.89 120.51 121.27 3kow n ALA 231 Ca -0.03 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 3kow n ALA 231 Cb 0.53 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 3kow n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kow h ARG 232 N 6.69 0.56 -3.63 0.00 2.47 -1.91 -3.37 114.38 115.20 3kow h ARG 232 Ca -0.45 -0.07 -0.59 0.00 -1.26 0.00 0.00 59.98 57.61 3kow h ARG 232 Cb 1.25 -0.11 -0.40 0.00 -1.65 0.00 0.00 29.97 29.06 3kow h ARG 232 CO 0.91 0.46 -0.75 -1.21 0.56 0.00 0.00 179.97 179.93 3kow s GLU 233 N -5.84 0.76 0.34 0.04 8.01 -1.26 -5.03 118.70 115.72 3kow s GLU 233 Ca -0.13 -1.12 0.13 0.00 0.01 0.00 0.00 54.97 53.86 3kow s GLU 233 Cb 0.10 -2.06 1.04 0.00 -4.31 0.00 0.00 34.13 28.90 3kow s GLU 233 CO 0.74 -0.98 1.68 0.00 0.01 0.00 0.00 175.26 176.70 3kow h ALA 234 N 8.06 1.92 0.00 5.21 0.00 -1.86 -1.06 119.26 131.52 3kow h ALA 234 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kow h ALA 234 Cb 1.01 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kow h ALA 234 CO 0.48 -0.50 0.00 -2.67 0.00 0.00 0.00 179.25 176.55 3kow n TRP 235 N -5.01 0.00 -0.07 0.00 2.14 -1.26 -1.84 117.44 111.41 3kow n TRP 235 Ca 0.31 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.88 3kow n TRP 235 Cb 0.93 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.43 3kow n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3kow n LYS 236 N -0.44 2.46 -0.63 -2.67 5.02 -0.40 -4.69 118.16 116.81 3kow n LYS 236 Ca 0.00 -0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.13 3kow n LYS 236 Cb 0.01 -0.70 0.31 0.00 -0.02 0.00 0.00 35.03 34.63 3kow n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kow n VAL 237 N -0.42 1.90 -0.07 -0.18 3.14 -0.76 -4.15 118.33 117.78 3kow n VAL 237 Ca 0.00 -1.05 -0.13 0.00 -2.96 0.00 0.00 64.34 60.20 3kow n VAL 237 Cb 0.02 -0.16 -0.06 0.00 -1.06 0.00 0.00 33.84 32.58 3kow n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kow h MET 238 N 3.28 0.44 -0.44 1.45 2.86 -1.84 -1.80 114.93 118.88 3kow h MET 238 Ca 0.00 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3kow h MET 238 Cb 1.49 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 3kow h MET 238 CO 0.31 0.77 0.27 -1.35 1.06 0.00 0.00 176.91 177.97 3kow h PRO 239 N 0.12 0.54 -0.87 -0.22 0.11 -1.89 -1.84 132.00 127.95 3kow h PRO 239 Ca 0.04 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.22 3kow h PRO 239 Cb 0.66 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.58 3kow h PRO 239 CO 0.04 0.36 0.56 1.49 -0.21 0.00 0.00 178.00 180.24 3kow h GLU 240 N 0.55 0.80 0.68 1.05 4.81 -1.86 -2.41 114.58 118.20 3kow h GLU 240 Ca 0.17 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3kow h GLU 240 Cb -0.02 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.19 3kow h GLU 240 CO -0.07 0.53 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.35 3kow h LEU 241 N 0.82 -0.77 -1.11 1.64 3.38 -0.54 -1.22 115.31 117.50 3kow h LEU 241 Ca 0.41 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.53 3kow h LEU 241 Cb 0.46 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 3kow h LEU 241 CO -0.17 -0.43 0.61 0.24 0.09 0.00 0.00 178.44 178.78 3kow h MET 242 N -1.13 0.78 0.49 1.13 2.86 -1.29 -0.21 114.93 117.56 3kow h MET 242 Ca -0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3kow h MET 242 Cb 0.73 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3kow h MET 242 CO 0.15 0.52 -0.24 0.28 1.06 0.00 0.00 176.91 178.68 3kow h VAL 243 N 0.80 0.43 -0.45 -2.22 2.07 -1.31 -0.76 116.25 114.81 3kow h VAL 243 Ca 0.52 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.76 3kow h VAL 243 Cb 0.75 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3kow h VAL 243 CO -0.29 0.05 0.04 1.56 0.02 0.00 0.00 177.57 178.96 3kow h GLN 244 N -0.90 0.16 -0.72 1.57 4.20 -0.70 0.29 115.11 119.01 3kow h GLN 244 Ca -0.07 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.77 3kow h GLN 244 Cb 0.60 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.24 3kow h GLN 244 CO 0.11 0.11 0.25 0.45 -0.67 0.00 0.00 178.83 179.07 3kow h HIS 245 N 0.16 0.41 -0.20 2.96 3.86 -0.94 -2.33 115.15 119.07 3kow h HIS 245 Ca 0.23 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 3kow h HIS 245 Cb 0.32 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3kow h HIS 245 CO -0.25 0.02 -0.46 0.00 0.86 0.00 0.00 177.93 178.09 3kow h ALA 246 N 1.55 0.84 0.08 2.45 0.00 0.55 -0.97 119.26 123.76 3kow h ALA 246 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kow h ALA 246 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kow h ALA 246 CO -0.42 0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 179.37 3kow h LEU 247 N 0.40 -0.09 -1.26 0.00 3.38 -0.69 -1.87 115.31 115.18 3kow h LEU 247 Ca 0.03 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.66 3kow h LEU 247 Cb 0.96 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3kow h LEU 247 CO 0.08 0.35 0.52 -1.13 0.09 0.00 0.00 178.44 178.36 3kow h ASN 248 N -0.56 0.82 0.22 -0.43 -1.24 -1.38 0.94 115.58 113.94 3kow h ASN 248 Ca -0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3kow h ASN 248 Cb 0.47 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.34 3kow h ASN 248 CO 0.02 0.55 -0.11 0.28 -1.29 0.00 0.00 177.43 176.88 3kow h SER 249 N 0.94 -0.25 -0.28 1.15 0.02 -1.09 -1.52 113.55 112.52 3kow h SER 249 Ca 0.32 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3kow h SER 249 Cb 0.10 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kow h SER 249 CO -0.10 -0.04 0.05 -0.29 -1.14 0.00 0.00 176.83 175.31 3kow h ILE 250 N -0.46 1.23 -0.32 3.27 6.09 -1.04 -1.18 117.51 125.11 3kow h ILE 250 Ca -0.03 -0.78 0.07 0.00 -1.37 0.00 0.00 64.86 62.75 3kow h ILE 250 Cb 0.35 1.21 -0.08 0.00 0.47 0.00 0.00 36.82 38.76 3kow h ILE 250 CO 0.05 0.25 -0.32 0.15 -3.07 0.00 0.00 178.15 175.22 3kow h PHE 251 N 0.28 -0.87 0.00 2.19 3.57 -0.86 -1.45 116.94 119.80 3kow h PHE 251 Ca 0.08 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kow h PHE 251 Cb 0.33 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3kow h PHE 251 CO 0.02 -0.38 -0.02 0.77 -2.23 0.00 0.00 178.31 176.47 3kow h SER 252 N -0.29 0.00 0.36 0.41 0.02 -1.09 -2.53 113.55 110.43 3kow h SER 252 Ca 0.15 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 3kow h SER 252 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3kow h SER 252 CO -0.48 0.02 -0.75 0.25 -1.14 0.00 0.00 176.83 174.72 3kow h LEU 253 N 0.00 0.39 0.00 5.07 5.85 -0.17 -2.36 115.31 124.09 3kow h LEU 253 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3kow h LEU 253 Cb 0.03 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3kow h LEU 253 CO 0.00 1.01 -0.90 0.29 -0.34 0.00 0.00 178.44 178.50 3kow n LYS 254 N -3.80 0.42 -0.07 1.25 4.76 -0.87 -3.29 118.16 116.56 3kow n LYS 254 Ca -0.04 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 3kow n LYS 254 Cb 0.72 -1.71 0.02 0.00 -1.84 0.00 0.00 35.03 32.22 3kow n LYS 254 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kow h VAL 255 N 0.00 1.28 0.00 -0.18 2.07 -1.46 -3.48 116.25 114.48 3kow h VAL 255 Ca 0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.93 3kow h VAL 255 Cb 0.84 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3kow h VAL 255 CO 0.00 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.72 3kow n GLY 256 N 0.10 -0.90 3.80 2.17 0.00 -1.14 -4.88 105.19 104.35 3kow n GLY 256 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3kow n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kow s MET 257 N 0.00 2.53 -0.03 1.61 -1.94 -0.90 -4.97 119.30 115.59 3kow s MET 257 Ca 0.00 0.94 -0.16 0.00 -1.71 0.00 0.00 55.69 54.76 3kow s MET 257 Cb 0.00 -1.94 -0.05 0.00 2.01 0.00 0.00 34.83 34.84 3kow s MET 257 CO 0.00 -1.39 0.43 0.15 -0.01 0.00 0.00 175.02 174.20 3kow s LYS 258 N -5.03 4.06 0.48 2.03 1.02 -1.26 -4.68 119.74 116.37 3kow s LYS 258 Ca 0.60 0.42 0.28 0.00 0.02 0.00 0.00 55.97 57.28 3kow s LYS 258 Cb -0.15 -3.29 1.36 0.00 -0.52 0.00 0.00 37.83 35.23 3kow s LYS 258 CO 0.55 0.53 1.82 0.87 -0.92 0.00 0.00 175.35 178.20 3kow h LYS 259 N 5.31 0.15 0.00 1.68 1.57 -1.92 1.30 116.57 124.67 3kow h LYS 259 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3kow h LYS 259 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kow h LYS 259 CO 0.66 0.10 0.00 -1.13 -0.57 0.00 0.00 179.45 178.51 3kow n SER 260 N -4.37 0.00 0.00 0.86 3.41 -1.26 -2.61 113.62 109.65 3kow n SER 260 Ca 0.23 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 3kow n SER 260 Cb 1.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 3kow n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kow n ASN 261 N -0.76 1.14 -4.40 4.04 4.13 0.44 -4.92 115.26 114.93 3kow n ASN 261 Ca 0.12 -1.34 -0.35 0.00 1.68 0.00 0.00 54.58 54.69 3kow n ASN 261 Cb 0.05 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.16 3kow n ASN 261 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kow s ILE 262 N -0.34 3.77 -0.05 2.41 1.01 -0.80 -1.05 121.20 126.15 3kow s ILE 262 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3kow s ILE 262 Cb 0.00 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3kow s ILE 262 CO 0.00 0.42 -0.23 0.00 0.00 0.00 0.00 174.94 175.13 3kow s LEU 264 N -0.18 4.44 -0.69 0.00 1.02 0.15 -2.94 118.68 120.47 3kow s LEU 264 Ca -0.02 1.36 -0.08 0.00 0.02 0.00 0.00 54.13 55.41 3kow s LEU 264 Cb -0.12 -3.28 0.18 0.00 0.02 0.00 0.00 46.19 42.98 3kow s LEU 264 CO 0.03 0.15 0.57 -0.55 0.02 0.00 0.00 176.35 176.56 3kow s SER 265 N -1.41 5.94 -0.10 2.29 0.15 -1.26 -0.09 113.70 119.21 3kow s SER 265 Ca 0.37 -2.68 -0.01 0.00 0.70 0.00 0.00 55.95 54.33 3kow s SER 265 Cb -0.18 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 3kow s SER 265 CO 0.21 -0.49 -0.06 0.28 1.20 0.00 0.00 173.24 174.38 3kow s THR 266 N 0.19 3.76 -0.12 6.45 -1.32 -0.61 -3.27 115.64 120.71 3kow s THR 266 Ca 0.16 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 3kow s THR 266 Cb -0.17 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 68.26 3kow s THR 266 CO -0.05 0.56 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.06 3kow s VAL 267 N -0.36 1.68 -0.44 5.08 1.01 -1.26 -0.50 120.40 125.61 3kow s VAL 267 Ca 0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 61.98 60.87 3kow s VAL 267 Cb -0.12 -1.52 -0.17 0.00 0.00 0.00 0.00 36.38 34.56 3kow s VAL 267 CO 0.02 0.48 2.01 -2.65 0.00 0.00 0.00 175.10 174.96 3kow n PRO 268 N 4.26 0.37 -0.26 2.72 -0.02 -1.26 -4.85 135.00 135.96 3kow n PRO 268 Ca -0.19 0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.29 3kow n PRO 268 Cb 0.51 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 3kow n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kow h PRO 269 N 8.84 -0.16 0.00 0.52 0.11 -1.92 -3.43 132.00 135.95 3kow h PRO 269 Ca -0.24 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 3kow h PRO 269 Cb 1.38 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 3kow h PRO 269 CO 1.04 -0.11 -0.03 0.25 -0.21 0.00 0.00 178.00 178.95 3kow n THR 270 N -5.03 0.00 -3.69 -1.15 -2.24 -1.26 -4.73 114.28 96.18 3kow n THR 270 Ca -0.01 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3kow n THR 270 Cb 0.26 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 3kow n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow s ALA 271 N -2.06 -1.01 0.33 6.98 0.00 -1.26 -4.92 121.76 119.81 3kow s ALA 271 Ca 0.01 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 3kow s ALA 271 Cb -0.00 0.13 -0.13 0.00 0.00 0.00 0.00 23.12 23.12 3kow s ALA 271 CO 0.00 -0.33 1.05 -2.30 0.00 0.00 0.00 175.76 174.18 3kow n PRO 272 N 1.01 1.47 0.00 0.00 -0.02 -1.26 -1.93 135.00 134.27 3kow n PRO 272 Ca -0.20 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 3kow n PRO 272 Cb 0.57 -1.96 0.38 0.00 -0.02 0.00 0.00 33.50 32.48 3kow n PRO 272 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kow n PRO 273 N 0.58 0.16 -1.69 0.52 -0.02 -1.26 -5.07 135.00 128.23 3kow n PRO 273 Ca 0.09 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3kow n PRO 273 Cb 0.34 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 3kow n PRO 273 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kow n ALA 274 N -1.35 1.10 -1.13 3.55 0.00 -0.82 -4.81 120.51 117.06 3kow n ALA 274 Ca 0.06 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 3kow n ALA 274 Cb 0.14 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 3kow n ALA 274 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kow n PRO 275 N 0.00 1.21 0.06 0.00 -0.02 -1.26 -4.75 135.00 130.24 3kow n PRO 275 Ca 0.07 -1.75 -0.13 0.00 -2.02 0.00 0.00 63.50 59.68 3kow n PRO 275 Cb 0.40 -2.94 -0.07 0.00 -0.02 0.00 0.00 33.50 30.87 3kow n PRO 275 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kow h SER 276 N 8.52 -0.05 -0.54 2.55 4.64 -1.87 -2.36 113.55 124.43 3kow h SER 276 Ca 0.37 -0.06 0.10 0.00 -0.47 0.00 0.00 61.79 61.72 3kow h SER 276 Cb 0.71 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 3kow h SER 276 CO 1.89 0.03 0.11 0.24 -0.87 0.00 0.00 176.83 178.23 3kow h MET 277 N -0.13 0.24 0.00 4.77 2.86 -1.94 -0.26 114.93 120.46 3kow h MET 277 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kow h MET 277 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kow h MET 277 CO 0.01 0.16 0.00 0.98 1.06 0.00 0.00 176.91 179.12 3kow n TYR 278 N -5.12 0.55 -0.09 -0.22 9.36 -0.93 -1.16 117.16 119.54 3kow n TYR 278 Ca 0.07 0.21 -0.09 0.00 3.32 0.00 0.00 57.90 61.41 3kow n TYR 278 Cb 0.28 -0.83 -0.15 0.00 -0.63 0.00 0.00 39.34 38.00 3kow n TYR 278 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3kow n LEU 279 N -1.99 0.00 0.02 2.98 4.77 -0.71 -4.61 117.00 117.45 3kow n LEU 279 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3kow n LEU 279 Cb 0.24 0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 41.64 3kow n LEU 279 CO 0.19 0.46 -0.46 0.44 -1.33 0.00 0.00 177.39 176.69 3kow h ASP 280 N 0.00 0.20 -0.90 -1.43 5.19 -0.85 -3.38 116.42 115.25 3kow h ASP 280 Ca -0.50 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 3kow h ASP 280 Cb 2.14 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 41.54 3kow h ASP 280 CO 0.03 1.30 0.58 0.25 -3.12 0.00 0.00 179.24 178.28 3kow h LEU 281 N 0.03 1.06 -0.40 1.55 5.85 -1.36 0.88 115.31 122.92 3kow h LEU 281 Ca -0.27 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 3kow h LEU 281 Cb 2.00 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 3kow h LEU 281 CO 0.11 0.78 0.13 -0.65 -0.34 0.00 0.00 178.44 178.48 3kow h PRO 282 N 1.23 0.61 -0.53 5.25 0.11 -1.82 -1.22 132.00 135.64 3kow h PRO 282 Ca 0.33 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3kow h PRO 282 Cb -0.11 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.89 3kow h PRO 282 CO -0.07 0.60 0.32 -0.92 -0.21 0.00 0.00 178.00 177.73 3kow h TYR 283 N 0.50 0.69 -0.68 0.65 3.20 -1.53 0.20 116.97 119.99 3kow h TYR 283 Ca 0.13 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3kow h TYR 283 Cb 0.24 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3kow h TYR 283 CO 0.01 0.47 0.43 0.00 -1.64 0.00 0.00 178.16 177.43 3kow h ALA 284 N 1.16 0.89 -0.24 1.82 0.00 -0.76 0.07 119.26 122.20 3kow h ALA 284 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3kow h ALA 284 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kow h ALA 284 CO -0.04 0.22 -0.35 0.28 0.00 0.00 0.00 179.25 179.36 3kow h VAL 285 N 0.86 1.32 -0.61 0.00 2.07 -0.67 -1.76 116.25 117.46 3kow h VAL 285 Ca 0.27 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3kow h VAL 285 Cb -0.01 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3kow h VAL 285 CO -0.10 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.23 3kow h ALA 286 N 0.64 0.79 -0.58 1.67 0.00 -0.44 -0.45 119.26 120.89 3kow h ALA 286 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kow h ALA 286 Cb 0.93 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3kow h ALA 286 CO 0.08 0.40 0.38 1.25 0.00 0.00 0.00 179.25 181.36 3kow h LEU 287 N 0.84 0.66 -0.47 0.00 5.85 -0.90 -0.05 115.31 121.25 3kow h LEU 287 Ca 0.20 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kow h LEU 287 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3kow h LEU 287 CO -0.02 0.48 -0.00 0.03 -0.34 0.00 0.00 178.44 178.59 3kow h ARG 288 N 0.78 0.83 0.43 1.25 -0.00 -1.01 -1.92 114.38 114.74 3kow h ARG 288 Ca 0.21 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 3kow h ARG 288 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 29.78 3kow h ARG 288 CO -0.05 0.88 -0.51 0.93 0.00 0.00 0.00 179.97 181.23 3kow h GLU 289 N 0.68 -0.92 -0.48 0.04 5.08 -0.81 -3.20 114.58 114.97 3kow h GLU 289 Ca 0.13 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3kow h GLU 289 Cb 0.51 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3kow h GLU 289 CO 0.02 -0.61 0.18 1.98 -1.00 0.00 0.00 179.01 179.58 3kow h MET 290 N -0.96 0.69 -1.96 2.33 4.05 -0.90 -3.00 114.93 115.19 3kow h MET 290 Ca -0.05 -0.10 -0.71 0.00 -0.28 0.00 0.00 59.70 58.56 3kow h MET 290 Cb 0.85 -0.12 -0.33 0.00 -0.80 0.00 0.00 31.60 31.20 3kow h MET 290 CO -0.11 0.58 0.40 1.19 0.23 0.00 0.00 176.91 179.20 3kow n PHE 291 N -4.35 3.18 -1.93 1.39 3.72 -0.73 -5.02 117.46 113.71 3kow n PHE 291 Ca 0.04 -2.77 -0.41 0.00 -0.05 0.00 0.00 57.45 54.26 3kow n PHE 291 Cb 0.16 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 37.86 3kow n PHE 291 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kow s GLU 292 N -3.92 4.17 0.00 -1.08 8.01 -1.14 -2.54 118.70 122.20 3kow s GLU 292 Ca 0.48 2.41 0.00 0.00 0.01 0.00 0.00 54.97 57.87 3kow s GLU 292 Cb 0.36 -2.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 3kow s GLU 292 CO -0.27 -0.42 0.00 0.41 0.01 0.00 0.00 175.26 174.99 3kow n GLY 293 N 0.60 2.27 3.93 -1.39 0.00 -1.26 -5.04 105.19 104.30 3kow n GLY 293 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3kow n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kow s TYR 294 N -2.29 3.51 0.25 1.61 2.02 -1.05 -4.33 117.35 117.07 3kow s TYR 294 Ca 0.00 0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 3kow s TYR 294 Cb 0.00 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.50 3kow s TYR 294 CO 0.00 0.06 0.75 1.03 -1.57 0.00 0.00 175.55 175.82 3kow s ARG 295 N -4.34 4.22 -0.22 -0.62 1.81 -0.69 -4.98 118.95 114.14 3kow s ARG 295 Ca 0.41 0.87 -0.08 0.00 -1.72 0.00 0.00 55.73 55.21 3kow s ARG 295 Cb -0.10 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 31.59 3kow s ARG 295 CO 0.37 0.33 0.07 -1.64 -0.68 0.00 0.00 175.30 173.76 3kow s MET 296 N -2.20 3.84 -0.43 3.54 -1.94 -1.26 -0.68 119.30 120.17 3kow s MET 296 Ca 0.46 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.93 3kow s MET 296 Cb -0.15 -3.28 0.08 0.00 2.01 0.00 0.00 34.83 33.48 3kow s MET 296 CO 0.20 0.05 0.30 0.50 -0.01 0.00 0.00 175.02 176.06 3kow s ARG 297 N 0.98 2.71 -0.12 2.03 3.00 0.88 -1.70 118.95 126.72 3kow s ARG 297 Ca 0.04 -1.42 -0.29 0.00 -1.00 0.00 0.00 55.73 53.06 3kow s ARG 297 Cb -0.14 -3.88 -0.01 0.00 0.00 0.00 0.00 34.95 30.92 3kow s ARG 297 CO 0.03 -0.97 1.09 0.00 0.00 0.00 0.00 175.30 175.45 3kow s ALA 298 N 1.49 3.50 0.05 6.12 0.00 -0.48 -1.58 121.76 130.86 3kow s ALA 298 Ca 0.03 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3kow s ALA 298 Cb -0.23 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3kow s ALA 298 CO 0.03 -0.78 -0.07 -1.14 0.00 0.00 0.00 175.76 173.80 3kow s GLN 299 N 2.42 2.40 0.50 0.00 2.00 0.35 -0.64 119.66 126.70 3kow s GLN 299 Ca 0.50 -0.84 -0.18 0.00 -2.00 0.00 0.00 55.36 52.84 3kow s GLN 299 Cb -0.20 -2.44 -0.08 0.00 0.80 0.00 0.00 33.01 31.10 3kow s GLN 299 CO 0.16 0.56 1.00 -1.64 -0.50 0.00 0.00 175.29 174.87 3kow s MET 300 N -1.80 3.88 0.50 1.67 -1.94 -1.22 -4.17 119.30 116.23 3kow s MET 300 Ca 0.20 1.09 -0.23 0.00 -1.71 0.00 0.00 55.69 55.04 3kow s MET 300 Cb -0.11 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.54 3kow s MET 300 CO 0.11 -0.33 1.36 1.21 -0.01 0.00 0.00 175.02 177.35 3kow s ASN 301 N -2.66 5.58 0.00 3.03 3.84 -1.26 -4.90 114.94 118.56 3kow s ASN 301 Ca 0.62 2.76 0.00 0.00 0.21 0.00 0.00 52.86 56.45 3kow s ASN 301 Cb -0.12 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3kow s ASN 301 CO 0.26 -1.36 0.01 0.35 -2.79 0.00 0.00 177.10 173.57 3kow n THR 302 N -0.68 0.00 0.08 -5.21 -2.24 -1.26 -4.93 114.28 100.04 3kow n THR 302 Ca 0.08 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3kow n THR 302 Cb 0.44 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3kow n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kow h LYS 303 N 0.00 -0.21 -3.42 -0.78 3.64 -1.91 -3.36 116.57 110.53 3kow h LYS 303 Ca 0.00 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.72 3kow h LYS 303 Cb 0.05 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3kow h LYS 303 CO 0.00 -0.14 3.51 0.66 -2.27 0.00 0.00 179.45 181.21 3kow n TYR 304 N -3.01 2.77 -3.79 1.91 4.01 -1.26 -4.85 117.16 112.94 3kow n TYR 304 Ca -0.03 -2.98 -0.13 0.00 -0.16 0.00 0.00 57.90 54.61 3kow n TYR 304 Cb 0.09 -2.47 -0.14 0.00 -0.31 0.00 0.00 39.34 36.51 3kow n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kow s MET 305 N 2.67 0.07 0.00 -0.72 1.75 -1.26 -4.89 119.30 116.93 3kow s MET 305 Ca 0.60 0.23 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 3kow s MET 305 Cb 0.16 -0.09 0.00 0.00 2.84 0.00 0.00 34.83 37.74 3kow s MET 305 CO -0.07 -0.10 0.00 0.39 -0.65 0.00 0.00 175.02 174.60 3kow n GLU 306 N 3.67 3.98 0.00 4.11 -0.58 -1.26 -4.77 120.64 125.78 3kow n GLU 306 Ca -0.20 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.66 3kow n GLU 306 Cb 0.55 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.64 3kow n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kow n ALA 307 N -3.00 3.40 -2.52 0.62 0.00 -1.26 -4.06 120.51 113.69 3kow n ALA 307 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3kow n ALA 307 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 3kow n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kow s SER 308 N -2.59 6.27 0.34 0.00 0.15 -1.26 -4.77 113.70 111.84 3kow s SER 308 Ca 0.20 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.53 3kow s SER 308 Cb 0.18 -2.27 0.75 0.00 -1.71 0.00 0.00 66.02 62.98 3kow s SER 308 CO 0.58 -0.62 1.88 0.71 1.20 0.00 0.00 173.24 177.00 3kow h THR 309 N 5.75 0.89 -0.01 6.45 1.35 -1.89 0.27 112.91 125.72 3kow h THR 309 Ca -0.27 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3kow h THR 309 Cb 1.11 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3kow h THR 309 CO 0.82 0.14 0.00 -0.09 -0.25 0.00 0.00 175.52 176.15 3kow h ARG 310 N 0.77 0.01 -0.20 4.72 2.43 -1.91 0.73 114.38 120.93 3kow h ARG 310 Ca 0.43 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.56 3kow h ARG 310 Cb 0.58 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3kow h ARG 310 CO -0.19 0.13 -0.02 1.49 -1.51 0.00 0.00 179.97 179.87 3kow h GLU 311 N -0.10 0.29 -0.08 0.20 4.81 -1.40 -0.30 114.58 117.99 3kow h GLU 311 Ca 0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 3kow h GLU 311 Cb 0.12 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kow h GLU 311 CO -0.00 0.34 -0.49 0.00 -0.73 0.00 0.00 179.01 178.13 3kow h ALA 312 N 1.70 0.17 -0.72 2.92 0.00 -0.91 -2.89 119.26 119.53 3kow h ALA 312 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kow h ALA 312 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3kow h ALA 312 CO 0.01 0.34 0.46 1.15 0.00 0.00 0.00 179.25 181.21 3kow h THR 313 N 0.04 1.19 -0.46 0.00 2.02 -0.14 -0.79 112.91 114.77 3kow h THR 313 Ca -0.04 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3kow h THR 313 Cb 1.14 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3kow h THR 313 CO 0.10 0.19 0.11 0.58 0.37 0.00 0.00 175.52 176.87 3kow h VAL 314 N 0.98 1.24 -0.57 3.16 2.07 -1.12 -2.32 116.25 119.68 3kow h VAL 314 Ca 0.26 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3kow h VAL 314 Cb -0.08 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3kow h VAL 314 CO -0.05 0.30 0.27 0.74 0.02 0.00 0.00 177.57 178.85 3kow h THR 315 N 0.61 1.19 -0.37 2.57 2.02 -1.28 -1.85 112.91 115.80 3kow h THR 315 Ca 0.14 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3kow h THR 315 Cb 0.33 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3kow h THR 315 CO 0.00 0.22 -0.11 0.45 0.37 0.00 0.00 175.52 176.45 3kow h HIS 316 N 0.81 0.70 -0.57 3.16 3.86 -0.91 0.08 115.15 122.28 3kow h HIS 316 Ca 0.20 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3kow h HIS 316 Cb 0.09 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 3kow h HIS 316 CO 0.01 0.74 0.23 0.28 0.86 0.00 0.00 177.93 180.04 3kow h VAL 317 N 0.59 1.23 -0.79 2.45 2.07 -0.79 0.24 116.25 121.26 3kow h VAL 317 Ca 0.11 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3kow h VAL 317 Cb 0.54 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3kow h VAL 317 CO 0.03 0.27 0.50 -0.07 0.02 0.00 0.00 177.57 178.33 3kow h LEU 318 N 0.79 0.92 -1.30 2.57 3.38 -1.14 0.39 115.31 120.92 3kow h LEU 318 Ca 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kow h LEU 318 Cb 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kow h LEU 318 CO -0.02 0.69 0.42 0.78 0.09 0.00 0.00 178.44 180.40 3kow h ASN 319 N 1.07 0.78 0.40 -0.43 -0.26 -0.41 -2.15 115.58 114.58 3kow h ASN 319 Ca 0.29 -0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.85 3kow h ASN 319 Cb -0.09 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 3kow h ASN 319 CO -0.06 0.59 -0.60 -0.07 -1.06 0.00 0.00 177.43 176.23 3kow h LEU 320 N 0.91 0.23 -0.49 1.61 3.38 0.47 -2.84 115.31 118.58 3kow h LEU 320 Ca 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kow h LEU 320 Cb -0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kow h LEU 320 CO -0.05 0.77 0.24 0.25 0.09 0.00 0.00 178.44 179.75 3kow h LEU 321 N 0.15 0.63 -0.47 1.67 5.85 -0.32 -2.58 115.31 120.24 3kow h LEU 321 Ca -0.01 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3kow h LEU 321 Cb 1.09 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3kow h LEU 321 CO 0.09 0.57 0.20 0.40 -0.34 0.00 0.00 178.44 179.35 3kow h ILE 322 N 0.64 0.89 -0.75 4.05 1.08 -1.22 0.42 117.51 122.62 3kow h ILE 322 Ca 0.17 -0.13 0.09 0.00 -0.39 0.00 0.00 64.86 64.60 3kow h ILE 322 Cb 0.10 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 34.24 3kow h ILE 322 CO -0.02 0.07 0.40 0.28 -0.69 0.00 0.00 178.15 178.19 3kow h SER 323 N 0.39 0.54 -0.44 1.72 0.02 -1.45 -1.98 113.55 112.35 3kow h SER 323 Ca 0.22 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3kow h SER 323 Cb 0.18 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3kow h SER 323 CO -0.19 0.31 -0.14 0.50 -1.14 0.00 0.00 176.83 176.16 3kow h LYS 324 N 0.67 0.92 0.00 3.45 1.63 -0.76 -2.10 116.57 120.38 3kow h LYS 324 Ca 0.37 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3kow h LYS 324 Cb 0.37 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3kow h LYS 324 CO -0.26 1.00 0.00 1.28 -3.45 0.00 0.00 179.45 178.02 3kow n LEU 325 N -4.14 0.00 0.00 5.20 4.77 -0.00 -4.68 117.00 118.14 3kow n LEU 325 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3kow n LEU 325 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kow n LEU 325 CO 0.45 -0.02 0.00 0.35 -1.33 0.00 0.00 177.39 176.84 3kow n THR 326 N -1.15 0.00 -3.77 -5.08 -2.24 -0.78 -4.93 114.28 96.34 3kow n THR 326 Ca 0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 3kow n THR 326 Cb 0.16 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 3kow n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kow s ARG 327 N 2.09 0.72 -0.30 -0.78 3.52 -0.82 -5.00 118.95 118.38 3kow s ARG 327 Ca 0.00 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.20 3kow s ARG 327 Cb 0.00 0.31 0.19 0.00 -1.56 0.00 0.00 34.95 33.89 3kow s ARG 327 CO 0.00 -0.21 0.80 0.00 -0.81 0.00 0.00 175.30 175.08 3kow s ALA 328 N -1.90 -3.02 0.17 6.12 0.00 -1.26 -4.78 121.76 117.09 3kow s ALA 328 Ca -0.10 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 3kow s ALA 328 Cb -0.03 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.59 3kow s ALA 328 CO 0.01 -1.74 1.42 -0.44 0.00 0.00 0.00 175.76 175.01 3kow h ASP 329 N 7.79 0.46 -3.90 0.00 3.32 -1.72 -3.41 116.42 118.96 3kow h ASP 329 Ca -0.10 -0.31 -0.66 0.00 0.02 0.00 0.00 57.03 55.98 3kow h ASP 329 Cb 1.18 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 3kow h ASP 329 CO 0.06 1.06 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.15 3kow s ILE 330 N -3.57 2.14 -0.37 0.35 1.01 -0.77 -1.97 121.20 118.02 3kow s ILE 330 Ca -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 60.65 58.86 3kow s ILE 330 Cb 0.10 -1.91 0.13 0.00 0.01 0.00 0.00 42.46 40.80 3kow s ILE 330 CO 0.84 0.03 0.21 -1.58 0.00 0.00 0.00 174.94 174.44 3kow s GLN 331 N -2.10 0.73 0.20 2.79 2.00 -0.19 -1.38 119.66 121.71 3kow s GLN 331 Ca 0.13 -1.45 -0.30 0.00 -2.00 0.00 0.00 55.36 51.74 3kow s GLN 331 Cb -0.10 -1.60 -0.08 0.00 0.80 0.00 0.00 33.01 32.03 3kow s GLN 331 CO 0.06 -1.18 1.11 -1.12 -0.50 0.00 0.00 175.29 173.66 3kow s SER 332 N 0.96 7.24 0.39 6.67 0.01 0.18 -2.15 113.70 127.02 3kow s SER 332 Ca 0.17 2.14 0.04 0.00 1.31 0.00 0.00 55.95 59.62 3kow s SER 332 Cb -0.23 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.39 3kow s SER 332 CO -0.02 -0.22 0.56 0.42 0.41 0.00 0.00 173.24 174.39 3kow s THR 333 N -0.41 3.88 -0.02 1.44 -4.23 -0.85 -3.41 115.64 112.05 3kow s THR 333 Ca 0.49 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 3kow s THR 333 Cb -0.30 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3kow s THR 333 CO 0.36 -0.19 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.44 3kow s ILE 334 N -2.35 1.46 0.16 2.99 -1.09 -1.26 -4.69 121.20 116.43 3kow s ILE 334 Ca 0.48 -0.79 -0.31 0.00 -2.23 0.00 0.00 60.65 57.80 3kow s ILE 334 Cb -0.10 -1.22 -0.10 0.00 -1.58 0.00 0.00 42.46 39.47 3kow s ILE 334 CO 0.34 0.41 1.52 0.42 -1.23 0.00 0.00 174.94 176.40 3kow s THR 335 N -0.39 2.77 -1.35 2.92 -4.23 -1.26 -4.68 115.64 109.41 3kow s THR 335 Ca 0.06 0.56 0.10 0.00 -1.18 0.00 0.00 61.69 61.23 3kow s THR 335 Cb -0.08 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.57 3kow s THR 335 CO -0.00 0.05 1.24 -2.65 -0.54 0.00 0.00 174.62 172.71 3kow n PRO 336 N 3.80 0.12 -0.03 3.99 -0.02 -1.26 -1.49 135.00 140.12 3kow n PRO 336 Ca 0.13 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 3kow n PRO 336 Cb 0.39 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.47 3kow n PRO 336 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kow n ASP 337 N -1.33 2.63 -0.34 2.55 5.75 -1.26 -4.06 116.55 120.50 3kow n ASP 337 Ca 0.04 -1.79 0.17 0.00 -0.01 0.00 0.00 54.79 53.20 3kow n ASP 337 Cb 0.09 -0.03 0.37 0.00 -1.03 0.00 0.00 41.12 40.52 3kow n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kow h GLU 338 N 3.61 0.51 -0.00 0.11 4.22 -1.46 0.29 114.58 121.87 3kow h GLU 338 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3kow h GLU 338 Cb 0.78 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kow h GLU 338 CO 0.00 0.34 0.00 0.41 -2.18 0.00 0.00 179.01 177.58 3kow n GLY 339 N -1.31 -1.00 0.04 1.92 0.00 -1.26 -3.70 105.19 99.88 3kow n GLY 339 Ca 0.26 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3kow n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kow n ARG 340 N -0.97 2.28 0.00 1.61 0.63 0.98 -4.42 116.66 116.77 3kow n ARG 340 Ca 0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3kow n ARG 340 Cb 0.10 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3kow n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3kow n ASN 341 N -2.39 0.00 -4.76 6.15 6.94 -0.84 -4.98 115.26 115.38 3kow n ASN 341 Ca -0.15 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.00 3kow n ASN 341 Cb 0.77 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.18 3kow n ASN 341 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kow s VAL 342 N -2.00 2.01 0.18 3.53 1.01 -1.26 -4.36 120.40 119.51 3kow s VAL 342 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 61.98 61.66 3kow s VAL 342 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 3kow s VAL 342 CO 0.00 0.00 1.70 -2.65 0.00 0.00 0.00 175.10 174.15 3kow n PRO 343 N 1.41 2.59 -2.74 2.72 -0.02 -1.26 -4.97 135.00 132.72 3kow n PRO 343 Ca 0.05 0.94 -0.25 0.00 -2.02 0.00 0.00 63.50 62.22 3kow n PRO 343 Cb 0.38 -2.76 0.01 0.00 -0.02 0.00 0.00 33.50 31.11 3kow n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kow s TRP 344 N 1.28 3.32 0.18 6.00 0.51 -1.26 -4.83 118.94 124.14 3kow s TRP 344 Ca 0.77 0.49 -0.16 0.00 -2.12 0.00 0.00 56.10 55.08 3kow s TRP 344 Cb -0.56 -2.43 0.15 0.00 -0.81 0.00 0.00 33.47 29.83 3kow s TRP 344 CO 0.35 -0.47 1.64 0.45 -0.51 0.00 0.00 176.95 178.41 3kow h HIS 345 N 0.19 -0.32 -0.33 -1.98 3.86 0.22 -2.68 115.15 114.12 3kow h HIS 345 Ca -0.46 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 3kow h HIS 345 Cb 1.24 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.91 3kow h HIS 345 CO 0.49 -0.23 0.17 -0.84 0.86 0.00 0.00 177.93 178.37 3kow h ILE 346 N -0.02 1.15 0.00 2.45 3.07 -1.95 -2.10 117.51 120.11 3kow h ILE 346 Ca 0.24 -0.41 -0.03 0.00 1.55 0.00 0.00 64.86 66.21 3kow h ILE 346 Cb 0.39 0.82 -0.00 0.00 -0.27 0.00 0.00 36.82 37.75 3kow h ILE 346 CO -0.52 0.15 -0.15 1.88 -1.05 0.00 0.00 178.15 178.47 3kow h TYR 347 N 0.40 0.00 -0.79 0.16 0.05 -1.90 0.14 116.97 115.02 3kow h TYR 347 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 3kow h TYR 347 Cb 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 3kow h TYR 347 CO -0.02 0.15 0.32 -0.91 -1.05 0.00 0.00 178.16 176.64 3kow h ASN 348 N 0.00 1.09 -0.04 3.88 -0.26 -1.06 -1.84 115.58 117.36 3kow h ASN 348 Ca -0.00 -0.17 -0.15 0.00 -0.56 0.00 0.00 56.30 55.42 3kow h ASN 348 Cb 0.52 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3kow h ASN 348 CO 0.02 0.96 -0.47 0.40 -1.06 0.00 0.00 177.43 177.29 3kow h ILE 349 N 1.15 1.31 0.16 2.81 5.03 -0.50 -2.83 117.51 124.65 3kow h ILE 349 Ca 0.26 -1.67 0.01 0.00 -0.12 0.00 0.00 64.86 63.35 3kow h ILE 349 Cb 0.21 1.64 -0.03 0.00 -3.03 0.00 0.00 36.82 35.60 3kow h ILE 349 CO -0.02 0.53 -0.30 -0.33 -0.68 0.00 0.00 178.15 177.34 3kow h GLU 350 N 0.47 -0.53 -0.25 2.37 5.08 -0.99 0.50 114.58 121.24 3kow h GLU 350 Ca 0.03 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3kow h GLU 350 Cb 0.99 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3kow h GLU 350 CO 0.09 -0.36 -0.13 0.00 -1.00 0.00 0.00 179.01 177.61 3kow h ALA 351 N 0.09 0.06 -0.63 3.43 0.00 -1.28 0.14 119.26 121.07 3kow h ALA 351 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kow h ALA 351 Cb 0.56 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3kow h ALA 351 CO -0.15 -0.54 0.34 0.00 0.00 0.00 0.00 179.25 178.89 3kow h ASP 353 N 0.62 0.54 0.10 0.00 5.19 -0.41 -2.17 116.42 120.28 3kow h ASP 353 Ca 0.29 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3kow h ASP 353 Cb 0.20 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.56 3kow h ASP 353 CO -0.19 0.85 -0.05 0.74 -3.12 0.00 0.00 179.24 177.47 3kow h THR 354 N 0.44 0.94 -0.61 0.35 2.02 -0.24 0.34 112.91 116.14 3kow h THR 354 Ca 0.05 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 3kow h THR 354 Cb 0.81 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3kow h THR 354 CO 0.07 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.99 3kow h ALA 355 N 0.72 0.82 -0.13 6.16 0.00 -1.30 0.19 119.26 125.73 3kow h ALA 355 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3kow h ALA 355 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kow h ALA 355 CO 0.02 0.67 0.06 -0.22 0.00 0.00 0.00 179.25 179.78 3kow h LYS 356 N 0.98 0.13 -0.06 0.00 3.64 -1.29 -1.16 116.57 118.81 3kow h LYS 356 Ca 0.17 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3kow h LYS 356 Cb 0.56 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3kow h LYS 356 CO 0.03 0.09 -0.04 0.37 -2.27 0.00 0.00 179.45 177.63 3kow h GLN 357 N 0.14 -0.04 -0.24 1.90 4.15 0.29 -0.51 115.11 120.81 3kow h GLN 357 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3kow h GLN 357 Cb 0.01 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3kow h GLN 357 CO -0.04 -0.03 0.03 0.00 -1.93 0.00 0.00 178.83 176.87 3kow h ALA 358 N 1.01 0.32 -0.57 3.38 0.00 -0.56 0.45 119.26 123.29 3kow h ALA 358 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kow h ALA 358 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kow h ALA 358 CO -0.09 0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.07 3kow h LEU 359 N 0.20 1.00 -0.24 0.00 3.38 -1.18 -0.19 115.31 118.28 3kow h LEU 359 Ca 0.07 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kow h LEU 359 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kow h LEU 359 CO 0.01 1.07 0.03 0.40 0.09 0.00 0.00 178.44 180.04 3kow h ILE 360 N 0.93 1.24 -0.58 1.22 1.08 -1.07 -2.81 117.51 117.51 3kow h ILE 360 Ca 0.16 -0.80 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 3kow h ILE 360 Cb 0.58 1.30 -0.11 0.00 -3.07 0.00 0.00 36.82 35.52 3kow h ILE 360 CO 0.04 0.25 -0.31 1.23 -0.69 0.00 0.00 178.15 178.67 3kow h GLY 361 N 0.20 -0.03 -3.66 5.37 0.00 -0.69 -1.18 103.07 103.08 3kow h GLY 361 Ca 0.07 0.40 -0.46 0.00 0.00 0.00 0.00 47.33 47.34 3kow h GLY 361 CO 0.01 -0.22 0.60 1.03 0.00 0.00 0.00 176.54 177.96 3kow n MET 362 N -5.44 2.15 -2.12 4.80 2.81 -0.10 -4.92 117.12 114.30 3kow n MET 362 Ca 0.04 -2.29 -0.41 0.00 -1.81 0.00 0.00 57.70 53.23 3kow n MET 362 Cb 0.35 -1.90 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 3kow n MET 362 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3kow s ASP 363 N -0.68 6.78 0.00 7.83 2.15 -0.45 -2.88 116.67 129.42 3kow s ASP 363 Ca 0.45 2.56 0.00 0.00 0.43 0.00 0.00 52.55 55.99 3kow s ASP 363 Cb 0.36 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3kow s ASP 363 CO 0.00 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 3kow n GLY 364 N 2.02 0.72 0.11 2.66 0.00 -1.26 -4.92 105.19 104.52 3kow n GLY 364 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kow n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kow h LEU 365 N 0.00 -0.15 -0.19 0.99 5.85 -1.90 -1.17 115.31 118.73 3kow h LEU 365 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kow h LEU 365 Cb 0.04 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kow h LEU 365 CO 0.00 -0.05 0.00 0.23 -0.34 0.00 0.00 178.44 178.28 3kow n MET 366 N -5.18 0.52 0.02 1.25 2.81 -1.26 0.36 117.12 115.63 3kow n MET 366 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 3kow n MET 366 Cb 0.12 -1.05 0.08 0.00 -0.71 0.00 0.00 33.22 31.66 3kow n MET 366 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kow n ASP 367 N -0.36 0.64 -0.00 7.83 8.00 -0.44 -4.46 116.55 127.76 3kow n ASP 367 Ca 0.00 -0.33 0.01 0.00 0.71 0.00 0.00 54.79 55.18 3kow n ASP 367 Cb 0.02 0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 3kow n ASP 367 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kow n MET 368 N -1.76 0.67 -4.21 -1.24 2.81 0.16 -5.04 117.12 108.52 3kow n MET 368 Ca 0.03 -0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.73 3kow n MET 368 Cb 0.39 -1.02 -0.13 0.00 -0.71 0.00 0.00 33.22 31.75 3kow n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kow s VAL 369 N -2.10 0.86 0.15 2.03 1.01 -0.87 -5.14 120.40 116.34 3kow s VAL 369 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 3kow s VAL 369 Cb 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3kow s VAL 369 CO 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 175.10 175.11 3kow s GLN 370 N -1.28 1.00 0.16 2.72 -2.07 -1.26 -4.55 119.66 114.38 3kow s GLN 370 Ca -0.03 -1.48 -0.23 0.00 -1.82 0.00 0.00 55.36 51.81 3kow s GLN 370 Cb -0.08 0.09 -0.08 0.00 -1.09 0.00 0.00 33.01 31.85 3kow s GLN 370 CO 0.01 -0.23 0.72 -0.51 -1.32 0.00 0.00 175.29 173.96 3kow s LEU 371 N -3.09 4.52 -1.27 2.60 1.43 -1.26 -4.97 118.68 116.63 3kow s LEU 371 Ca 0.25 1.50 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 3kow s LEU 371 Cb 0.07 -3.28 0.10 0.00 0.03 0.00 0.00 46.19 43.11 3kow s LEU 371 CO 0.03 0.18 1.64 -0.54 0.23 0.00 0.00 176.35 177.88 3kow s LYS 372 N -1.35 4.02 0.05 1.70 1.02 -1.26 -4.81 119.74 119.10 3kow s LYS 372 Ca 0.36 -2.18 0.12 0.00 0.02 0.00 0.00 55.97 54.29 3kow s LYS 372 Cb -0.21 -5.38 0.54 0.00 -0.52 0.00 0.00 37.83 32.26 3kow s LYS 372 CO 0.23 -2.10 1.39 -2.13 -0.92 0.00 0.00 175.35 171.83 3kow n ARG 373 N 7.49 0.03 0.00 1.68 3.00 -1.26 -4.22 116.66 123.38 3kow n ARG 373 Ca 0.45 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.65 3kow n ARG 373 Cb 0.45 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.34 3kow n ARG 373 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3kow n GLU 374 N -1.63 3.23 0.00 -0.14 -0.58 -1.26 -3.30 120.64 116.96 3kow n GLU 374 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3kow n GLU 374 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 3kow n GLU 374 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kow n GLY 375 N 5.00 0.66 0.35 0.62 0.00 -1.26 -2.80 105.19 107.76 3kow n GLY 375 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.22 3kow n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kow h VAL 376 N 0.00 0.98 0.02 1.61 3.04 -1.95 -2.24 116.25 117.71 3kow h VAL 376 Ca 0.00 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 3kow h VAL 376 Cb 0.00 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 29.13 3kow h VAL 376 CO 0.00 0.18 -0.21 0.25 -1.01 0.00 0.00 177.57 176.79 3kow h LEU 377 N 1.00 -0.60 -2.41 3.16 5.85 -1.76 -1.96 115.31 118.59 3kow h LEU 377 Ca 0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 3kow h LEU 377 Cb 0.34 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3kow h LEU 377 CO -0.23 -0.28 -0.03 1.23 -0.34 0.00 0.00 178.44 178.80 3kow h GLY 378 N -0.34 0.00 0.13 3.75 0.00 -1.24 -2.21 103.07 103.17 3kow h GLY 378 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3kow h GLY 378 CO -0.18 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.66 3kow h ASP 379 N 0.00 0.09 -0.90 0.19 3.32 -1.13 -3.16 116.42 114.82 3kow h ASP 379 Ca -0.00 -0.99 0.02 0.00 0.02 0.00 0.00 57.03 56.08 3kow h ASP 379 Cb 0.10 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3kow h ASP 379 CO 0.00 1.07 0.60 0.74 -1.72 0.00 0.00 179.24 179.93 3kow h THR 380 N -0.88 1.21 -0.41 0.35 2.02 -1.32 -1.71 112.91 112.17 3kow h THR 380 Ca -0.03 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 66.82 3kow h THR 380 Cb 1.12 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 3kow h THR 380 CO 0.03 0.22 0.01 0.58 0.37 0.00 0.00 175.52 176.73 3kow h VAL 381 N 1.19 0.70 -0.65 3.16 2.07 -1.48 -1.30 116.25 119.95 3kow h VAL 381 Ca 0.34 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.87 3kow h VAL 381 Cb -0.09 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3kow h VAL 381 CO -0.08 0.02 0.36 -0.09 0.02 0.00 0.00 177.57 177.80 3kow h ARG 382 N 0.12 0.67 -0.67 1.57 9.65 -1.32 -2.35 114.38 122.04 3kow h ARG 382 Ca 0.20 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3kow h ARG 382 Cb 0.28 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 3kow h ARG 382 CO -0.33 0.44 0.41 1.49 2.80 0.00 0.00 179.97 184.79 3kow h GLU 383 N 0.69 0.90 0.05 0.20 4.81 -0.41 -0.43 114.58 120.38 3kow h GLU 383 Ca 0.28 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kow h GLU 383 Cb 0.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3kow h GLU 383 CO -0.16 0.62 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.64 3kow h LEU 384 N 0.92 -0.06 -0.61 1.64 3.38 -0.87 -1.88 115.31 117.83 3kow h LEU 384 Ca 0.24 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.90 3kow h LEU 384 Cb -0.05 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3kow h LEU 384 CO -0.05 0.41 0.13 0.11 0.09 0.00 0.00 178.44 179.13 3kow h LYS 385 N -0.54 0.25 -0.47 1.13 1.57 -1.22 0.25 116.57 117.53 3kow h LYS 385 Ca -0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3kow h LYS 385 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3kow h LYS 385 CO 0.01 0.16 0.07 0.93 -0.57 0.00 0.00 179.45 180.06 3kow h GLU 386 N 0.26 0.73 -0.19 3.15 5.08 -1.01 -0.57 114.58 122.03 3kow h GLU 386 Ca 0.32 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3kow h GLU 386 Cb 0.48 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kow h GLU 386 CO -0.41 0.70 -0.30 0.00 -1.00 0.00 0.00 179.01 177.99 3kow h ARG 387 N 0.70 0.53 -0.99 2.33 3.08 -0.53 -0.57 114.38 118.93 3kow h ARG 387 Ca 0.15 -0.32 0.16 0.00 0.07 0.00 0.00 59.98 60.03 3kow h ARG 387 Cb 0.33 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 3kow h ARG 387 CO 0.01 0.93 0.62 0.00 -1.07 0.00 0.00 179.97 180.45 3kow h ALA 388 N 0.60 1.65 -0.06 0.04 0.00 -0.33 -0.41 119.26 120.75 3kow h ALA 388 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kow h ALA 388 Cb 0.88 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kow h ALA 388 CO 0.07 0.05 -0.38 0.28 0.00 0.00 0.00 179.25 179.27 3kow h VAL 389 N 0.84 1.42 -0.47 0.00 2.07 -0.82 -2.24 116.25 117.06 3kow h VAL 389 Ca 0.53 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 66.31 3kow h VAL 389 Cb 0.72 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 3kow h VAL 389 CO -0.30 0.52 0.17 -0.07 0.02 0.00 0.00 177.57 177.91 3kow h LEU 390 N -0.12 0.18 -0.41 2.57 3.38 -0.90 -2.24 115.31 117.77 3kow h LEU 390 Ca -0.03 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3kow h LEU 390 Cb 1.05 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3kow h LEU 390 CO 0.08 0.13 0.05 0.15 0.09 0.00 0.00 178.44 178.94 3kow h PHE 391 N 0.35 0.07 -0.54 1.13 3.57 -1.01 -1.30 116.94 119.21 3kow h PHE 391 Ca 0.22 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3kow h PHE 391 Cb 0.22 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 3kow h PHE 391 CO -0.16 -0.03 -0.56 0.52 -2.23 0.00 0.00 178.31 175.85 3kow h MET 392 N 0.17 -0.30 -0.84 1.11 2.86 -0.84 -1.85 114.93 115.24 3kow h MET 392 Ca 0.20 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 3kow h MET 392 Cb 0.26 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 3kow h MET 392 CO -0.29 -0.20 0.55 0.93 1.06 0.00 0.00 176.91 178.96 3kow h GLU 393 N -0.31 1.01 -0.89 1.72 5.08 -0.87 0.69 114.58 121.02 3kow h GLU 393 Ca 0.09 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3kow h GLU 393 Cb 0.55 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3kow h GLU 393 CO -0.67 0.67 0.57 1.49 -1.00 0.00 0.00 179.01 180.08 3kow h GLU 394 N 1.04 1.08 0.06 2.33 4.57 -0.87 0.63 114.58 123.43 3kow h GLU 394 Ca 0.34 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3kow h GLU 394 Cb 0.03 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3kow h GLU 394 CO -0.10 0.72 -0.03 0.82 -1.18 0.00 0.00 179.01 179.24 3kow h ILE 395 N 1.11 1.00 -0.07 2.32 2.04 -0.11 -2.94 117.51 120.86 3kow h ILE 395 Ca 0.36 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 3kow h ILE 395 Cb 0.01 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3kow h ILE 395 CO -0.12 0.05 0.03 0.40 0.00 0.00 0.00 178.15 178.51 3kow h ILE 396 N -0.17 1.12 0.00 -0.67 2.04 -0.65 -2.55 117.51 116.63 3kow h ILE 396 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3kow h ILE 396 Cb 0.14 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kow h ILE 396 CO 0.01 0.10 0.00 1.21 0.00 0.00 0.00 178.15 179.47 3kow n GLU 397 N -4.96 0.47 0.00 2.37 2.13 0.22 -0.30 120.64 120.56 3kow n GLU 397 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3kow n GLU 397 Cb 0.10 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.79 3kow n GLU 397 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kow n ALA 398 N -0.51 2.07 -0.82 4.31 0.00 -0.98 -5.02 120.51 119.56 3kow n ALA 398 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3kow n ALA 398 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kow n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 399 N -0.32 0.83 2.55 0.00 0.00 0.59 -4.54 105.19 104.30 3kow n GLY 399 Ca 0.00 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.66 3kow n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 400 N -0.79 -1.71 0.50 -0.02 0.00 -1.11 -3.86 105.19 98.20 3kow n GLY 400 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 3kow n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kow h TYR 401 N -1.09 -1.40 -1.06 1.61 3.20 -1.96 -2.79 116.97 113.48 3kow h TYR 401 Ca 0.02 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.20 3kow h TYR 401 Cb 1.07 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 39.83 3kow h TYR 401 CO 0.00 -0.67 0.74 0.74 -1.64 0.00 0.00 178.16 177.33 3kow h PHE 402 N -0.99 0.25 0.26 -3.82 0.04 -1.98 -2.31 116.94 108.38 3kow h PHE 402 Ca -0.06 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3kow h PHE 402 Cb 0.87 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.95 3kow h PHE 402 CO -0.27 0.03 -0.12 -0.91 -0.60 0.00 0.00 178.31 176.44 3kow h ASN 403 N 0.15 -0.29 -0.99 2.17 2.35 -1.60 -3.08 115.58 114.28 3kow h ASN 403 Ca 0.54 0.01 0.37 0.00 -0.55 0.00 0.00 56.30 56.67 3kow h ASN 403 Cb 1.84 0.08 -0.17 0.00 0.05 0.00 0.00 38.32 40.12 3kow h ASN 403 CO -0.11 0.16 0.44 0.00 -1.65 0.00 0.00 177.43 176.26 3kow h ALA 404 N -1.11 1.91 -0.37 -0.83 0.00 -1.30 0.24 119.26 117.80 3kow h ALA 404 Ca -0.04 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kow h ALA 404 Cb 0.26 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kow h ALA 404 CO 0.06 -0.80 -0.01 0.28 0.00 0.00 0.00 179.25 178.78 3kow h VAL 405 N 0.07 1.26 -0.73 0.00 2.07 -1.55 -1.66 116.25 115.70 3kow h VAL 405 Ca 0.77 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3kow h VAL 405 Cb 1.91 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 3kow h VAL 405 CO -0.77 0.33 0.48 -0.33 0.02 0.00 0.00 177.57 177.31 3kow h GLU 406 N 0.47 0.84 -0.55 1.57 5.08 -0.50 -1.86 114.58 119.63 3kow h GLU 406 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kow h GLU 406 Cb 0.47 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3kow h GLU 406 CO 0.02 0.55 0.00 1.04 -1.00 0.00 0.00 179.01 179.62 3kow n GLN 407 N -4.46 2.15 -3.31 2.33 6.02 -0.31 -4.54 117.38 115.26 3kow n GLN 407 Ca 0.10 -1.22 -0.18 0.00 -0.01 0.00 0.00 57.00 55.69 3kow n GLN 407 Cb 0.14 -1.51 0.07 0.00 1.02 0.00 0.00 30.24 29.96 3kow n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kow n GLY 408 N 0.66 -0.23 0.15 1.08 0.00 -0.71 -4.93 105.19 101.21 3kow n GLY 408 Ca 0.11 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3kow n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kow h PHE 409 N -1.99 0.00 -3.16 1.61 -1.00 -1.54 -3.37 116.94 107.48 3kow h PHE 409 Ca -0.46 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.68 3kow h PHE 409 Cb 1.29 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.76 3kow h PHE 409 CO 0.39 0.00 -0.59 -0.06 -1.61 0.00 0.00 178.31 176.43 3kow s PHE 410 N -3.19 3.22 -1.45 -0.55 0.08 -1.26 -4.20 117.98 110.63 3kow s PHE 410 Ca 0.08 0.11 -0.08 0.00 0.12 0.00 0.00 56.93 57.16 3kow s PHE 410 Cb 0.10 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3kow s PHE 410 CO 0.60 0.53 0.70 0.28 -0.10 0.00 0.00 175.22 177.23 3kow n VAL 411 N 0.58 -1.79 -2.96 -0.44 0.31 -1.26 -1.64 118.33 111.14 3kow n VAL 411 Ca -0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 3kow n VAL 411 Cb 0.52 -2.90 -0.06 0.00 -0.91 0.00 0.00 33.84 30.49 3kow n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kow s ASP 412 N -2.88 7.37 -0.00 4.52 2.15 -1.26 -3.35 116.67 123.22 3kow s ASP 412 Ca 0.43 1.63 0.05 0.00 0.43 0.00 0.00 52.55 55.08 3kow s ASP 412 Cb -0.21 -2.50 0.14 0.00 -0.30 0.00 0.00 42.92 40.05 3kow s ASP 412 CO 0.53 0.15 1.08 -1.54 -0.17 0.00 0.00 175.17 175.22 3kow n SER 413 N 1.91 0.95 -4.98 -0.34 3.41 -1.26 -4.88 113.62 108.43 3kow n SER 413 Ca -0.04 -2.02 -0.18 0.00 -0.26 0.00 0.00 58.87 56.36 3kow n SER 413 Cb 0.49 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3kow n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kow s GLY 414 N -0.92 1.86 -0.73 5.00 0.00 -1.26 -4.74 107.32 106.53 3kow s GLY 414 Ca 0.11 -1.63 -0.19 0.00 0.00 0.00 0.00 44.72 43.00 3kow s GLY 414 CO 0.07 -1.49 0.89 -0.47 0.00 0.00 0.00 173.10 172.10 3kow s TYR 415 N -2.31 3.05 0.24 1.90 5.04 -1.25 -4.63 117.35 119.38 3kow s TYR 415 Ca 0.50 -1.11 -0.31 0.00 -2.44 0.00 0.00 57.07 53.71 3kow s TYR 415 Cb -0.09 -4.13 -0.13 0.00 0.35 0.00 0.00 41.96 37.96 3kow s TYR 415 CO 0.31 -1.39 1.42 0.98 -1.34 0.00 0.00 175.55 175.53 3kow n TYR 416 N 6.43 2.19 -0.09 4.97 9.36 -1.26 -1.96 117.16 136.79 3kow n TYR 416 Ca 0.04 0.42 -0.06 0.00 3.32 0.00 0.00 57.90 61.62 3kow n TYR 416 Cb 0.45 -2.47 0.01 0.00 -0.63 0.00 0.00 39.34 36.71 3kow n TYR 416 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3kow h PRO 417 N 4.30 0.20 -2.31 2.98 0.11 -1.96 -3.48 132.00 131.84 3kow h PRO 417 Ca -0.45 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.33 3kow h PRO 417 Cb 1.27 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kow h PRO 417 CO 0.76 0.13 0.11 -1.91 -0.21 0.00 0.00 178.00 176.88 3kow n GLU 418 N -5.07 0.00 -3.86 1.05 2.13 -0.83 -4.94 120.64 109.12 3kow n GLU 418 Ca 0.01 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.61 3kow n GLU 418 Cb 0.14 -0.58 -0.17 0.00 0.27 0.00 0.00 31.44 31.10 3kow n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kow s ARG 419 N 0.41 0.66 0.21 5.31 3.52 -1.26 -3.97 118.95 123.83 3kow s ARG 419 Ca 0.37 0.05 0.19 0.00 -0.13 0.00 0.00 55.73 56.21 3kow s ARG 419 Cb -0.52 -0.93 0.02 0.00 -1.56 0.00 0.00 34.95 31.96 3kow s ARG 419 CO 0.25 -0.25 1.16 -0.91 -0.81 0.00 0.00 175.30 174.75 3kow h ASN 420 N 8.04 0.00 -1.92 -2.12 2.35 -1.92 -3.49 115.58 116.52 3kow h ASN 420 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3kow h ASN 420 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3kow h ASN 420 CO 0.32 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 177.03 3kow n GLY 421 N 1.25 0.57 0.24 2.83 0.00 -1.26 -5.00 105.19 103.82 3kow n GLY 421 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kow n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kow n ASP 422 N -0.96 0.00 -4.76 1.61 5.75 -1.26 -5.10 116.55 111.83 3kow n ASP 422 Ca 0.00 -1.33 -0.34 0.00 -0.01 0.00 0.00 54.79 53.11 3kow n ASP 422 Cb 0.43 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.50 3kow n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kow s GLY 423 N -0.33 2.34 -0.12 6.12 0.00 -1.21 -4.70 107.32 109.43 3kow s GLY 423 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 3kow s GLY 423 CO 0.00 1.10 1.89 -0.42 0.00 0.00 0.00 173.10 175.66 3kow s ILE 424 N -2.08 3.29 -0.24 0.90 -1.09 -0.65 -4.85 121.20 116.49 3kow s ILE 424 Ca 0.71 0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 59.38 3kow s ILE 424 Cb -0.24 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 3kow s ILE 424 CO 0.39 -0.10 0.10 0.00 -1.23 0.00 0.00 174.94 174.10 3kow s ALA 425 N 5.62 3.35 -0.03 9.38 0.00 -1.26 -4.59 121.76 134.22 3kow s ALA 425 Ca 0.85 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3kow s ALA 425 Cb -0.34 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 3kow s ALA 425 CO 0.35 -0.28 0.05 1.03 0.00 0.00 0.00 175.76 176.91 3kow s ARG 426 N 1.24 3.02 0.09 0.00 1.81 -1.15 -4.97 118.95 118.98 3kow s ARG 426 Ca 0.05 -0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 53.30 3kow s ARG 426 Cb -0.14 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.47 3kow s ARG 426 CO 0.04 0.67 1.02 -0.65 -0.68 0.00 0.00 175.30 175.70 3kow s GLN 427 N -1.46 4.61 0.38 3.54 1.11 -1.26 -3.62 119.66 122.96 3kow s GLN 427 Ca 0.19 1.53 0.28 0.00 0.01 0.00 0.00 55.36 57.37 3kow s GLN 427 Cb -0.12 -3.37 1.08 0.00 -1.01 0.00 0.00 33.01 29.59 3kow s GLN 427 CO 0.10 0.07 1.82 0.97 0.01 0.00 0.00 175.29 178.25 3kow h ILE 428 N 4.22 0.00 -0.03 1.08 2.10 -1.98 -1.89 117.51 121.02 3kow h ILE 428 Ca -0.43 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.12 3kow h ILE 428 Cb 1.21 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 3kow h ILE 428 CO 0.74 0.00 -0.02 -0.46 -1.08 0.00 0.00 178.15 177.33 3kow n ASN 429 N -2.61 2.70 0.00 2.19 6.94 -1.26 -4.72 115.26 118.50 3kow n ASN 429 Ca 0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 3kow n ASN 429 Cb 0.29 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3kow n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kow n GLY 430 N 1.18 4.07 0.75 4.83 0.00 -0.71 -4.77 105.19 110.54 3kow n GLY 430 Ca 0.12 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.24 3kow n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 431 N 5.00 -2.19 3.70 -0.02 0.00 -1.26 -4.04 105.19 106.38 3kow n GLY 431 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3kow n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kow s ILE 432 N -1.10 4.14 -0.51 -0.61 -1.09 -0.72 -3.25 121.20 118.06 3kow s ILE 432 Ca 0.00 1.52 -0.00 0.00 -2.23 0.00 0.00 60.65 59.94 3kow s ILE 432 Cb 0.00 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3kow s ILE 432 CO 0.00 0.07 0.01 0.61 -1.23 0.00 0.00 174.94 174.40 3kow n GLY 433 N 3.27 0.13 3.72 6.18 0.00 -1.26 -1.64 105.19 115.58 3kow n GLY 433 Ca 0.10 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3kow n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow s ALA 434 N -2.31 3.52 0.00 4.61 0.00 -1.20 -3.13 121.76 123.24 3kow s ALA 434 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3kow s ALA 434 Cb -0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3kow s ALA 434 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3kow n GLY 435 N 3.35 0.63 0.68 0.00 0.00 -1.26 -4.97 105.19 103.62 3kow n GLY 435 Ca 0.10 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.44 3kow n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 436 N -2.83 1.57 -3.19 2.61 -2.24 -1.18 -4.96 114.28 104.06 3kow n THR 436 Ca 0.00 -1.42 -0.39 0.00 -2.27 0.00 0.00 64.05 59.97 3kow n THR 436 Cb 0.09 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 3kow n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kow s VAL 437 N -1.84 5.09 -0.09 2.28 1.01 -1.26 -5.02 120.40 120.57 3kow s VAL 437 Ca 0.30 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.43 3kow s VAL 437 Cb 0.21 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3kow s VAL 437 CO 0.11 0.21 -0.22 -0.36 0.00 0.00 0.00 175.10 174.84 3kow s PHE 438 N 1.31 2.56 0.19 5.22 0.08 -1.26 -5.10 117.98 120.98 3kow s PHE 438 Ca 0.28 -0.86 -0.32 0.00 0.12 0.00 0.00 56.93 56.16 3kow s PHE 438 Cb -0.16 -1.69 -0.11 0.00 -0.57 0.00 0.00 43.02 40.49 3kow s PHE 438 CO 0.11 -0.30 1.66 -2.00 -0.10 0.00 0.00 175.22 174.59 3kow s GLU 439 N 0.14 4.17 0.58 0.44 2.12 -1.26 -4.98 118.70 119.91 3kow s GLU 439 Ca -0.12 2.50 -0.17 0.00 0.36 0.00 0.00 54.97 57.54 3kow s GLU 439 Cb -0.16 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3kow s GLU 439 CO 0.07 -0.69 1.07 1.03 -0.54 0.00 0.00 175.26 176.20 3kow s ARG 440 N 1.20 3.29 0.22 4.30 0.52 -1.26 -5.05 118.95 122.15 3kow s ARG 440 Ca 0.73 1.32 0.07 0.00 -0.52 0.00 0.00 55.73 57.32 3kow s ARG 440 Cb -0.47 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 3kow s ARG 440 CO 0.32 -0.85 0.11 -0.51 0.02 0.00 0.00 175.30 174.39 3kow s ASP 441 N -2.50 5.23 0.63 0.23 1.01 -1.26 -4.97 116.67 115.04 3kow s ASP 441 Ca 0.66 -0.31 0.33 0.00 0.71 0.00 0.00 52.55 53.94 3kow s ASP 441 Cb -0.18 -1.26 1.82 0.00 1.01 0.00 0.00 42.92 44.32 3kow s ASP 441 CO 0.34 0.02 2.11 1.05 0.21 0.00 0.00 175.17 178.90 3kow h GLU 442 N 2.02 0.00 -0.54 8.23 9.09 -1.99 0.30 114.58 131.69 3kow h GLU 442 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3kow h GLU 442 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 3kow h GLU 442 CO 0.61 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.27 3kow n ASP 443 N -3.42 4.26 -4.75 3.06 5.75 -1.26 -4.74 116.55 115.45 3kow n ASP 443 Ca -0.00 -2.43 -0.41 0.00 -0.01 0.00 0.00 54.79 51.93 3kow n ASP 443 Cb 0.29 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3kow n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kow n TYR 444 N 0.78 2.71 -3.74 2.11 9.36 0.11 -4.89 117.16 123.59 3kow n TYR 444 Ca 0.22 0.48 -0.13 0.00 3.32 0.00 0.00 57.90 61.79 3kow n TYR 444 Cb 0.79 -2.48 -0.09 0.00 -0.63 0.00 0.00 39.34 36.93 3kow n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3kow s MET 445 N -2.11 0.60 -0.14 2.98 1.75 -1.26 -1.61 119.30 119.51 3kow s MET 445 Ca 0.55 0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 55.04 3kow s MET 445 Cb -0.50 0.27 0.06 0.00 2.84 0.00 0.00 34.83 37.50 3kow s MET 445 CO 0.62 -0.14 0.10 0.00 -0.65 0.00 0.00 175.02 174.95 3kow s ALA 446 N -0.76 0.30 -0.06 4.11 0.00 -1.26 -5.01 121.76 119.08 3kow s ALA 446 Ca -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3kow s ALA 446 Cb -0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3kow s ALA 446 CO 0.03 -1.00 2.64 -0.35 0.00 0.00 0.00 175.76 177.08 3kow n PRO 447 N 5.29 1.52 -4.35 0.00 -0.05 -1.26 -4.79 135.00 131.35 3kow n PRO 447 Ca -0.06 -0.64 -0.18 0.00 -0.05 0.00 0.00 63.50 62.57 3kow n PRO 447 Cb 0.49 -1.49 -0.10 0.00 -0.05 0.00 0.00 33.50 32.36 3kow n PRO 447 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3kow s VAL 448 N 0.02 1.31 0.47 0.52 -7.23 -1.26 -3.85 120.40 110.38 3kow s VAL 448 Ca 0.31 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3kow s VAL 448 Cb 0.16 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3kow s VAL 448 CO -0.01 -0.39 0.85 -0.89 -0.31 0.00 0.00 175.10 174.35 3kow s THR 449 N -3.24 4.74 -1.23 5.32 2.01 -1.26 -4.12 115.64 117.87 3kow s THR 449 Ca 0.27 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 3kow s THR 449 Cb 0.04 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 3kow s THR 449 CO 0.09 -0.71 0.88 0.00 -0.69 0.00 0.00 174.62 174.19 3kow n ALA 450 N -1.74 -2.05 -3.10 7.40 0.00 -1.26 -4.99 120.51 114.78 3kow n ALA 450 Ca 0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 3kow n ALA 450 Cb 0.54 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 3kow n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kow s HIS 451 N -3.48 3.10 0.00 0.00 5.04 -1.26 -4.22 115.29 114.47 3kow s HIS 451 Ca 0.03 -0.59 -0.06 0.00 -1.54 0.00 0.00 55.06 52.90 3kow s HIS 451 Cb -0.01 -2.24 -0.03 0.00 0.04 0.00 0.00 32.58 30.34 3kow s HIS 451 CO 0.76 -0.43 0.77 0.35 -2.34 0.00 0.00 174.74 173.85 3kow h PHE 452 N 8.24 -0.19 -1.34 3.88 3.57 -1.88 -3.47 116.94 125.74 3kow h PHE 452 Ca -0.37 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.04 3kow h PHE 452 Cb 1.16 0.06 0.06 0.00 2.79 0.00 0.00 35.95 40.02 3kow h PHE 452 CO 0.65 -0.12 -0.05 0.41 -2.23 0.00 0.00 178.31 176.97 3kow n GLY 453 N -0.16 -2.89 3.70 2.40 0.00 -1.26 -4.90 105.19 102.08 3kow n GLY 453 Ca -0.03 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3kow n GLY 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kow s TYR 454 N -1.21 3.10 -0.17 1.61 5.04 -1.26 -5.00 117.35 119.46 3kow s TYR 454 Ca 0.17 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.76 3kow s TYR 454 Cb -0.03 -3.58 0.06 0.00 0.35 0.00 0.00 41.96 38.76 3kow s TYR 454 CO 0.15 -2.02 0.08 1.21 -1.34 0.00 0.00 175.55 173.63 3kow s ASN 455 N 1.50 2.43 -1.25 4.32 2.47 -1.26 -4.84 114.94 118.30 3kow s ASN 455 Ca 0.62 -0.64 -0.15 0.00 0.42 0.00 0.00 52.86 53.11 3kow s ASN 455 Cb -0.31 -0.31 0.13 0.00 -1.45 0.00 0.00 41.25 39.31 3kow s ASN 455 CO 0.27 -0.34 1.59 -3.20 -3.72 0.00 0.00 177.10 171.70 3kow n ASN 456 N 5.23 5.08 0.10 -4.21 5.15 -0.63 -4.67 115.26 121.32 3kow n ASN 456 Ca -0.07 -2.96 0.12 0.00 -0.60 0.00 0.00 54.58 51.07 3kow n ASN 456 Cb 0.49 -1.64 0.25 0.00 -0.53 0.00 0.00 39.78 38.34 3kow n ASN 456 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3kow h VAL 457 N 4.97 0.00 -0.23 3.44 2.07 -1.92 -3.36 116.25 121.23 3kow h VAL 457 Ca 0.38 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kow h VAL 457 Cb 0.86 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3kow h VAL 457 CO 1.35 0.00 0.06 0.50 0.02 0.00 0.00 177.57 179.51 3kow h LYS 458 N 0.00 0.32 -1.15 1.57 3.64 -1.83 -2.54 116.57 116.57 3kow h LYS 458 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kow h LYS 458 Cb 0.79 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kow h LYS 458 CO 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 3kow n GLN 459 N -4.41 0.69 0.00 1.90 10.64 -1.26 -2.75 117.38 122.18 3kow n GLN 459 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kow n GLN 459 Cb 0.14 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 3kow n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kow n TYR 460 N 0.53 0.00 0.00 2.61 4.01 -0.98 -5.12 117.16 118.22 3kow n TYR 460 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kow n TYR 460 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 3kow n TYR 460 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kow n ASP 461 N -0.42 0.00 -0.02 7.72 -0.08 -1.09 -5.06 116.55 117.60 3kow n ASP 461 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 3kow n ASP 461 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 3kow n ASP 461 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kow h GLU 462 N 0.00 0.19 0.00 -0.67 3.07 -1.82 -3.17 114.58 112.18 3kow h GLU 462 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kow h GLU 462 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3kow h GLU 462 CO 0.00 0.14 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 3kow n ALA 463 N -2.14 1.31 0.08 3.43 0.00 -1.26 -1.30 120.51 120.63 3kow n ALA 463 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3kow n ALA 463 Cb 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 18.62 3kow n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kow n LEU 464 N -0.91 1.00 -0.29 0.00 4.32 -1.20 -4.70 117.00 115.23 3kow n LEU 464 Ca 0.00 -0.93 0.11 0.00 -0.02 0.00 0.00 56.01 55.17 3kow n LEU 464 Cb 0.00 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.05 3kow n LEU 464 CO 0.00 0.23 0.90 0.58 -1.22 0.00 0.00 177.39 177.88 3kow h VAL 465 N 0.33 0.31 -0.00 4.08 2.07 -1.37 0.38 116.25 122.05 3kow h VAL 465 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kow h VAL 465 Cb 0.08 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3kow h VAL 465 CO 0.00 0.03 -0.24 -1.54 0.02 0.00 0.00 177.57 175.84 3kow n SER 466 N -5.28 0.28 -2.72 0.57 3.41 -1.26 -4.11 113.62 104.52 3kow n SER 466 Ca 0.19 0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.67 3kow n SER 466 Cb 0.62 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3kow n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kow n GLU 467 N -1.44 1.91 -0.19 4.33 -0.58 0.12 -4.97 120.64 119.83 3kow n GLU 467 Ca 0.07 -3.75 0.30 0.00 -0.42 0.00 0.00 57.16 53.36 3kow n GLU 467 Cb 0.33 -1.67 0.70 0.00 -0.57 0.00 0.00 31.44 30.23 3kow n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kow h PRO 468 N 2.89 0.00 0.00 3.49 0.11 -1.41 0.28 132.00 137.36 3kow h PRO 468 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kow h PRO 468 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kow h PRO 468 CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3kow h SER 469 N 0.00 0.00 -0.06 -2.05 4.64 -1.72 -2.36 113.55 112.00 3kow h SER 469 Ca 0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.79 3kow h SER 469 Cb 2.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3kow h SER 469 CO -0.00 0.00 0.05 0.11 -0.87 0.00 0.00 176.83 176.12 3kow h LYS 470 N 0.00 0.00 -0.09 4.77 1.57 -0.72 -0.77 116.57 121.34 3kow h LYS 470 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3kow h LYS 470 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kow h LYS 470 CO 0.00 0.00 0.36 1.25 -0.57 0.00 0.00 179.45 180.49 3kow h LEU 471 N 0.00 0.00 -1.56 2.94 5.85 -1.62 -1.68 115.31 119.24 3kow h LEU 471 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kow h LEU 471 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3kow h LEU 471 CO -0.00 0.00 -0.18 2.30 -0.34 0.00 0.00 178.44 180.22 3kow n ILE 472 N -3.06 0.13 -2.97 4.05 -5.35 -0.73 -5.02 119.36 106.42 3kow n ILE 472 Ca -0.00 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 3kow n ILE 472 Cb 0.43 0.74 0.05 0.00 -1.74 0.00 0.00 39.64 39.12 3kow n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kow n ASP 473 N -0.09 -3.38 -0.06 7.28 8.00 -0.63 -4.77 116.55 122.89 3kow n ASP 473 Ca 0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3kow n ASP 473 Cb 0.56 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 3kow n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kow n GLY 474 N -1.22 -0.15 1.96 0.44 0.00 -0.37 -4.97 105.19 100.88 3kow n GLY 474 Ca -0.07 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3kow n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow n THR 476 N -2.40 0.50 0.07 0.00 -2.24 -1.26 -1.75 114.28 107.20 3kow n THR 476 Ca 0.08 0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.85 3kow n THR 476 Cb 0.30 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.50 3kow n THR 476 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kow h LEU 477 N 0.00 0.31 0.19 3.22 3.38 -1.98 -3.31 115.31 117.13 3kow h LEU 477 Ca 0.00 -0.38 -0.32 0.00 0.09 0.00 0.00 57.88 57.27 3kow h LEU 477 Cb 0.12 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kow h LEU 477 CO 0.00 1.31 -1.48 -0.33 0.09 0.00 0.00 178.44 178.03 3kow h GLU 478 N 0.05 0.41 -2.55 1.13 3.07 -1.74 -3.43 114.58 111.51 3kow h GLU 478 Ca -0.16 -0.70 -0.60 0.00 -0.50 0.00 0.00 59.36 57.40 3kow h GLU 478 Cb 1.96 0.26 -0.41 0.00 -0.84 0.00 0.00 28.75 29.72 3kow h GLU 478 CO 0.17 1.32 -0.71 0.28 -1.40 0.00 0.00 179.01 178.66 3kow n VAL 479 N -3.61 1.08 -0.26 3.13 0.31 -0.72 -4.95 118.33 113.31 3kow n VAL 479 Ca -0.16 -4.62 0.32 0.00 -0.01 0.00 0.00 64.34 59.86 3kow n VAL 479 Cb 1.07 -2.04 0.56 0.00 -0.91 0.00 0.00 33.84 32.53 3kow n VAL 479 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kow h PRO 480 N 4.88 0.00 0.00 5.55 0.11 -1.85 0.22 132.00 140.92 3kow h PRO 480 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kow h PRO 480 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3kow h PRO 480 CO 0.66 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 3kow n GLU 481 N -3.48 0.14 0.00 1.05 4.71 -1.26 -2.49 120.64 119.31 3kow n GLU 481 Ca 0.25 0.31 0.14 0.00 -0.01 0.00 0.00 57.16 57.85 3kow n GLU 481 Cb 1.47 -1.73 0.49 0.00 -1.01 0.00 0.00 31.44 30.66 3kow n GLU 481 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kow n LYS 482 N -1.98 1.47 -2.68 3.49 5.02 0.78 -4.89 118.16 119.37 3kow n LYS 482 Ca 0.03 -0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 55.05 3kow n LYS 482 Cb 0.25 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3kow n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kow s ILE 483 N -2.12 4.72 -0.16 -0.18 1.01 -1.04 -4.94 121.20 118.50 3kow s ILE 483 Ca 0.35 2.00 -0.20 0.00 0.00 0.00 0.00 60.65 62.80 3kow s ILE 483 Cb 0.21 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3kow s ILE 483 CO 0.38 0.18 0.57 -0.69 0.00 0.00 0.00 174.94 175.38 3kow s VAL 484 N 0.85 5.09 -0.42 2.92 1.01 -1.26 -5.03 120.40 123.56 3kow s VAL 484 Ca 0.52 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 3kow s VAL 484 Cb -0.22 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.34 3kow s VAL 484 CO 0.29 0.21 0.27 -0.47 0.00 0.00 0.00 175.10 175.39 3kow s TYR 485 N 1.31 3.35 -0.04 5.22 5.04 -1.26 -5.06 117.35 125.91 3kow s TYR 485 Ca 0.28 -1.56 -0.24 0.00 -2.44 0.00 0.00 57.07 53.12 3kow s TYR 485 Cb -0.16 -3.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 3kow s TYR 485 CO 0.11 -0.86 0.71 0.42 -1.34 0.00 0.00 175.55 174.59 3kow s ILE 486 N 1.42 4.97 -0.09 3.14 1.01 -1.26 -4.99 121.20 125.40 3kow s ILE 486 Ca 0.03 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.14 3kow s ILE 486 Cb -0.23 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 3kow s ILE 486 CO 0.02 0.29 -0.03 -0.78 0.00 0.00 0.00 174.94 174.43 3kow h ASP 487 N 6.44 0.00 -4.85 3.58 3.58 -1.98 -3.39 116.42 119.80 3kow h ASP 487 Ca -0.42 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 3kow h ASP 487 Cb 1.20 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.04 3kow h ASP 487 CO 0.74 0.47 -0.26 -1.61 -2.88 0.00 0.00 179.24 175.69 3kow s GLU 488 N -1.59 0.65 -0.07 0.28 0.41 -1.26 -3.32 118.70 113.80 3kow s GLU 488 Ca -0.03 -0.09 0.07 0.00 -0.41 0.00 0.00 54.97 54.51 3kow s GLU 488 Cb 0.00 0.29 -0.10 0.00 -1.78 0.00 0.00 34.13 32.54 3kow s GLU 488 CO 0.04 -0.17 0.05 1.28 -0.49 0.00 0.00 175.26 175.97 3kow n LEU 489 N 1.46 0.00 -4.68 1.80 4.77 -1.26 -4.91 117.00 114.18 3kow n LEU 489 Ca -0.20 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.43 3kow n LEU 489 Cb 0.56 0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 3kow n LEU 489 CO 0.21 0.17 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.53 3kow s ASP 490 N -3.83 5.38 0.00 -1.43 -1.08 -1.26 -5.00 116.67 109.45 3kow s ASP 490 Ca -0.04 0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.33 3kow s ASP 490 Cb 0.03 -1.63 0.45 0.00 -1.46 0.00 0.00 42.92 40.31 3kow s ASP 490 CO 0.33 0.34 1.37 -1.84 0.52 0.00 0.00 175.17 175.88 3kow n GLU 491 N 2.42 2.55 0.00 4.34 -0.00 -1.26 -4.62 120.64 124.07 3kow n GLU 491 Ca -0.18 -2.28 0.00 0.00 -0.00 0.00 0.00 57.16 54.69 3kow n GLU 491 Cb 0.53 -1.44 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 3kow n GLU 491 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3kow n ASN 492 N 1.21 0.00 -4.56 -1.84 5.03 -1.26 -4.87 115.26 108.98 3kow n ASN 492 Ca 0.18 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.35 3kow n ASN 492 Cb 0.54 -0.23 -0.05 0.00 -1.02 0.00 0.00 39.78 39.02 3kow n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kow s ASP 493 N -2.81 5.17 0.24 6.41 2.15 -1.26 -4.67 116.67 121.90 3kow s ASP 493 Ca 0.00 -0.62 -0.18 0.00 0.43 0.00 0.00 52.55 52.19 3kow s ASP 493 Cb 0.00 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3kow s ASP 493 CO 0.00 -2.70 0.58 0.54 -0.17 0.00 0.00 175.17 173.42 3kow s ASN 494 N 7.99 -0.23 0.21 -0.34 2.20 -1.26 -4.38 114.94 119.13 3kow s ASN 494 Ca 0.70 -0.62 -0.07 0.00 -0.94 0.00 0.00 52.86 51.92 3kow s ASN 494 Cb -0.07 0.64 0.16 0.00 -2.00 0.00 0.00 41.25 39.97 3kow s ASN 494 CO 0.01 -1.18 1.69 1.62 -2.94 0.00 0.00 177.10 176.29 3kow h VAL 495 N 2.13 1.26 -0.71 3.54 3.04 -1.91 -1.63 116.25 121.98 3kow h VAL 495 Ca -0.25 -1.10 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 3kow h VAL 495 Cb 1.26 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 3kow h VAL 495 CO 0.32 0.40 0.46 0.78 -1.01 0.00 0.00 177.57 178.51 3kow h ASN 496 N 0.92 0.82 -0.82 3.17 2.35 -1.95 0.45 115.58 120.53 3kow h ASN 496 Ca 0.17 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3kow h ASN 496 Cb 0.51 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3kow h ASN 496 CO 0.02 0.61 0.43 0.58 -1.65 0.00 0.00 177.43 177.42 3kow h VAL 497 N 0.96 1.25 0.00 2.81 2.07 -1.74 -2.46 116.25 119.13 3kow h VAL 497 Ca 0.26 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3kow h VAL 497 Cb -0.09 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3kow h VAL 497 CO -0.05 0.28 -0.34 0.03 0.02 0.00 0.00 177.57 177.51 3kow h ARG 498 N 1.16 0.00 -0.34 1.57 3.08 -0.62 -2.73 114.38 116.50 3kow h ARG 498 Ca 0.29 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.21 3kow h ARG 498 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kow h ARG 498 CO -0.04 0.34 -0.31 0.52 -1.07 0.00 0.00 179.97 179.41 3kow h MET 499 N 0.00 0.81 -0.13 0.04 2.86 -0.59 -3.21 114.93 114.71 3kow h MET 499 Ca -0.00 -0.42 0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3kow h MET 499 Cb 0.82 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3kow h MET 499 CO 0.04 1.05 0.05 0.93 1.06 0.00 0.00 176.91 180.04 3kow h GLU 500 N 0.59 0.11 -1.18 1.72 4.39 -1.30 0.29 114.58 119.21 3kow h GLU 500 Ca 0.06 -0.01 0.37 0.00 0.34 0.00 0.00 59.36 60.12 3kow h GLU 500 Cb 0.88 -0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.39 3kow h GLU 500 CO 0.08 0.07 0.75 0.93 -1.16 0.00 0.00 179.01 179.68 3kow h GLU 501 N 0.11 0.21 -0.01 2.33 4.39 -1.49 -0.75 114.58 119.37 3kow h GLU 501 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kow h GLU 501 Cb 0.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3kow h GLU 501 CO -0.05 0.14 0.00 0.25 -1.16 0.00 0.00 179.01 178.18 3kow n THR 502 N -4.73 1.55 -0.27 1.13 -2.24 -1.04 -4.78 114.28 103.89 3kow n THR 502 Ca 0.33 -1.76 0.06 0.00 -2.27 0.00 0.00 64.05 60.40 3kow n THR 502 Cb 1.19 0.05 0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3kow n THR 502 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kow n LYS 503 N -1.04 -0.07 -0.12 -0.78 5.02 0.99 -2.46 118.16 119.71 3kow n LYS 503 Ca 0.10 1.18 -0.07 0.00 -2.02 0.00 0.00 58.31 57.50 3kow n LYS 503 Cb 0.50 -1.78 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 3kow n LYS 503 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3kow h GLU 504 N 0.00 -0.14 -4.31 1.97 9.09 -1.86 -3.16 114.58 116.16 3kow h GLU 504 Ca 0.38 0.01 -0.43 0.00 0.05 0.00 0.00 59.36 59.36 3kow h GLU 504 Cb 0.61 0.03 0.06 0.00 -1.65 0.00 0.00 28.75 27.80 3kow h GLU 504 CO -0.77 -0.10 1.80 1.19 0.05 0.00 0.00 179.01 181.18 3kow n PHE 505 N -4.17 0.81 -2.28 2.06 3.01 -1.03 -4.63 117.46 111.24 3kow n PHE 505 Ca -0.01 -1.17 -0.02 0.00 1.01 0.00 0.00 57.45 57.27 3kow n PHE 505 Cb 0.17 -1.17 0.03 0.00 -0.01 0.00 0.00 39.48 38.49 3kow n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3kow n ARG 506 N 6.28 0.38 -0.00 -1.08 0.63 -1.20 -5.05 116.66 116.62 3kow n ARG 506 Ca 0.37 -0.48 0.01 0.00 -0.92 0.00 0.00 57.85 56.83 3kow n ARG 506 Cb 0.26 0.29 0.01 0.00 0.45 0.00 0.00 32.46 33.48 3kow n ARG 506 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3kow n SER 509 N -0.43 1.29 -4.78 6.15 3.41 -1.26 -5.20 113.62 112.79 3kow n SER 509 Ca -0.09 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 57.00 3kow n SER 509 Cb 0.58 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3kow n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kow s MET 510 N -0.27 3.95 -0.07 4.33 -1.94 -1.26 -3.00 119.30 121.04 3kow s MET 510 Ca 0.04 1.56 -0.04 0.00 -1.71 0.00 0.00 55.69 55.53 3kow s MET 510 Cb 0.02 -2.40 0.03 0.00 2.01 0.00 0.00 34.83 34.50 3kow s MET 510 CO 0.04 -0.34 0.16 0.42 -0.01 0.00 0.00 175.02 175.29 3kow s ILE 511 N -1.70 -0.03 0.06 2.53 -1.09 -0.45 -4.81 121.20 115.71 3kow s ILE 511 Ca 0.62 0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 59.11 3kow s ILE 511 Cb -0.23 -0.24 -0.02 0.00 -1.58 0.00 0.00 42.46 40.39 3kow s ILE 511 CO 0.28 0.05 0.06 -1.59 -1.23 0.00 0.00 174.94 172.50 3kow s LYS 512 N 0.80 0.69 0.87 2.79 -2.85 -1.26 -2.22 119.74 118.54 3kow s LYS 512 Ca -0.06 -1.08 -0.11 0.00 -1.00 0.00 0.00 55.97 53.71 3kow s LYS 512 Cb -0.08 0.26 0.12 0.00 -2.06 0.00 0.00 37.83 36.07 3kow s LYS 512 CO -0.04 -0.17 1.17 -1.25 0.10 0.00 0.00 175.35 175.17 3kow s PRO 513 N -3.76 1.28 0.10 1.78 0.04 -1.26 -4.74 135.00 128.43 3kow s PRO 513 Ca 0.05 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 3kow s PRO 513 Cb 0.06 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.90 3kow s PRO 513 CO -0.10 -2.46 0.48 -1.83 0.04 0.00 0.00 177.00 173.13 3kow s GLU 514 N -4.42 1.08 -0.04 4.56 -1.05 -1.24 -0.75 118.70 116.83 3kow s GLU 514 Ca 0.70 -0.47 0.01 0.00 -0.15 0.00 0.00 54.97 55.05 3kow s GLU 514 Cb -0.25 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 3kow s GLU 514 CO 0.55 -0.42 -0.03 1.33 0.95 0.00 0.00 175.26 177.64 3kow n VAL 515 N 0.03 0.26 0.09 1.83 0.24 -1.26 -4.82 118.33 114.70 3kow n VAL 515 Ca -0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3kow n VAL 515 Cb 0.62 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 3kow n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kow n GLU 516 N -2.57 0.00 -3.36 7.34 0.28 -1.26 0.95 120.64 122.01 3kow n GLU 516 Ca -0.08 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.63 3kow n GLU 516 Cb 0.59 -0.11 -0.04 0.00 1.43 0.00 0.00 31.44 33.32 3kow n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kow s TRP 517 N -2.00 3.47 0.29 -1.84 0.51 -1.26 -4.76 118.94 113.34 3kow s TRP 517 Ca 0.00 0.68 -0.30 0.00 -2.12 0.00 0.00 56.10 54.37 3kow s TRP 517 Cb 0.00 -2.13 -0.13 0.00 -0.81 0.00 0.00 33.47 30.40 3kow s TRP 517 CO 0.00 0.20 1.38 0.94 -0.51 0.00 0.00 176.95 178.96 3kow n GLN 518 N -0.74 2.15 -4.14 4.98 7.27 -1.26 -3.13 117.38 122.52 3kow n GLN 518 Ca -0.01 0.76 -0.34 0.00 0.07 0.00 0.00 57.00 57.48 3kow n GLN 518 Cb 0.53 -2.40 -0.02 0.00 2.41 0.00 0.00 30.24 30.77 3kow n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kow n ALA 519 N 1.27 -1.36 1.25 1.69 0.00 -1.26 -4.84 120.51 117.25 3kow n ALA 519 Ca 0.08 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3kow n ALA 519 Cb 0.34 -3.42 0.38 0.00 0.00 0.00 0.00 19.45 16.76 3kow n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kow n ASP 520 N -2.73 1.64 -3.01 0.00 5.75 -1.18 -4.94 116.55 112.08 3kow n ASP 520 Ca 0.02 -1.69 -0.18 0.00 -0.01 0.00 0.00 54.79 52.92 3kow n ASP 520 Cb 0.52 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3kow n ASP 520 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kow n GLY 521 N 1.13 -0.49 3.85 6.12 0.00 0.07 -4.78 105.19 111.09 3kow n GLY 521 Ca 0.16 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3kow n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 522 N -2.78 5.01 0.04 2.61 2.01 -1.24 0.10 115.64 121.40 3kow s THR 522 Ca 0.25 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 3kow s THR 522 Cb -0.13 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3kow s THR 522 CO 0.30 0.40 -0.01 0.68 -0.69 0.00 0.00 174.62 175.30 3kow s VAL 523 N -1.28 0.17 -0.14 3.82 -7.23 -0.82 -3.68 120.40 111.25 3kow s VAL 523 Ca 0.30 -1.40 -0.08 0.00 -1.81 0.00 0.00 61.98 58.99 3kow s VAL 523 Cb -0.15 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3kow s VAL 523 CO 0.17 -0.77 0.14 -0.22 -0.31 0.00 0.00 175.10 174.11 3kow s LEU 524 N -2.31 4.34 -0.09 1.32 2.96 -1.26 -2.76 118.68 120.88 3kow s LEU 524 Ca -0.02 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3kow s LEU 524 Cb 0.01 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3kow s LEU 524 CO -0.06 0.34 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.95 3kow s LEU 525 N -0.64 1.69 -0.09 -0.68 2.96 0.19 -4.96 118.68 117.16 3kow s LEU 525 Ca 0.13 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3kow s LEU 525 Cb -0.12 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.60 3kow s LEU 525 CO 0.03 0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.03 3kow s THR 526 N 0.80 1.55 0.32 3.68 2.01 -1.26 0.09 115.64 122.83 3kow s THR 526 Ca -0.11 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.25 3kow s THR 526 Cb -0.16 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 3kow s THR 526 CO 0.02 0.45 0.29 1.15 -0.69 0.00 0.00 174.62 175.83 3kow n MET 527 N 3.87 0.42 -4.23 4.92 0.00 -0.66 -5.01 117.12 116.43 3kow n MET 527 Ca -0.20 -3.15 -0.20 0.00 0.00 0.00 0.00 57.70 54.15 3kow n MET 527 Cb 0.52 2.62 -0.16 0.00 0.00 0.00 0.00 33.22 36.20 3kow n MET 527 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3kow s PHE 528 N -3.27 0.78 -0.10 3.17 5.36 -1.26 -2.02 117.98 120.63 3kow s PHE 528 Ca 0.37 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 3kow s PHE 528 Cb 0.02 -0.64 0.02 0.00 -0.34 0.00 0.00 43.02 42.07 3kow s PHE 528 CO 0.26 -0.15 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.23 3kow s LEU 529 N 0.64 1.62 0.00 6.12 1.43 -0.62 -4.97 118.68 122.90 3kow s LEU 529 Ca -0.09 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3kow s LEU 529 Cb -0.12 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 3kow s LEU 529 CO 0.00 -0.00 1.67 -2.65 0.23 0.00 0.00 176.35 175.60 3kow n PRO 530 N 4.22 0.82 -3.74 1.29 -0.02 -1.26 -1.00 135.00 135.30 3kow n PRO 530 Ca -0.19 -0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 60.87 3kow n PRO 530 Cb 0.51 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 3kow n PRO 530 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3kow n THR 531 N 2.30 0.00 -0.41 3.45 5.66 -1.26 -4.63 114.28 119.40 3kow n THR 531 Ca 0.13 -1.52 -0.29 0.00 -3.05 0.00 0.00 64.05 59.31 3kow n THR 531 Cb 0.39 0.99 0.28 0.00 -1.55 0.00 0.00 70.33 70.44 3kow n THR 531 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kow s SER 532 N -2.98 -0.18 0.04 1.09 1.04 -1.26 -3.67 113.70 107.78 3kow s SER 532 Ca 0.25 1.23 -0.16 0.00 0.48 0.00 0.00 55.95 57.74 3kow s SER 532 Cb -0.01 -1.85 -0.28 0.00 0.10 0.00 0.00 66.02 63.98 3kow s SER 532 CO 0.18 -4.88 1.10 0.07 0.98 0.00 0.00 173.24 170.69 3kow h LYS 533 N -3.09 0.58 -0.61 4.02 2.10 -1.93 -2.27 116.57 115.38 3kow h LYS 533 Ca -0.55 -0.74 -0.06 0.00 -2.00 0.00 0.00 60.65 57.30 3kow h LYS 533 Cb 1.34 0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 32.88 3kow h LYS 533 CO 0.41 1.32 0.15 -0.09 -2.00 0.00 0.00 179.45 179.24 3kow h ARG 534 N 0.18 0.98 0.11 0.07 2.43 -1.99 -2.39 114.38 113.77 3kow h ARG 534 Ca -0.16 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 3kow h ARG 534 Cb 1.77 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 3kow h ARG 534 CO 0.21 0.89 -0.05 0.28 -1.51 0.00 0.00 179.97 179.79 3kow h VAL 535 N 0.89 1.09 -0.63 0.20 2.07 -1.94 -3.12 116.25 114.82 3kow h VAL 535 Ca 0.19 -1.23 0.11 0.00 0.82 0.00 0.00 66.70 66.59 3kow h VAL 535 Cb 0.35 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3kow h VAL 535 CO 0.00 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.29 3kow h ALA 536 N -0.04 2.06 0.19 1.67 0.00 -1.47 0.37 119.26 122.04 3kow h ALA 536 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kow h ALA 536 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3kow h ALA 536 CO 0.02 -0.21 -0.47 1.49 0.00 0.00 0.00 179.25 180.08 3kow h GLU 537 N 0.39 -0.72 0.00 0.00 4.81 -1.41 -0.78 114.58 116.87 3kow h GLU 537 Ca 0.29 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 3kow h GLU 537 Cb 0.63 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kow h GLU 537 CO -0.08 -0.48 -0.47 0.74 -0.73 0.00 0.00 179.01 177.99 3kow h PHE 538 N -0.75 0.00 -0.35 0.92 0.04 -0.99 -2.72 116.94 113.10 3kow h PHE 538 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3kow h PHE 538 Cb 0.74 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3kow h PHE 538 CO -0.38 0.47 0.14 0.00 -0.60 0.00 0.00 178.31 177.95 3kow h ALA 539 N 1.53 0.45 0.00 2.45 0.00 -0.17 -2.81 119.26 120.71 3kow h ALA 539 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kow h ALA 539 Cb 0.95 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kow h ALA 539 CO 0.06 0.04 -0.10 0.00 0.00 0.00 0.00 179.25 179.25 3kow h ALA 540 N 0.99 1.12 -0.14 0.00 0.00 -0.84 -1.69 119.26 118.69 3kow h ALA 540 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kow h ALA 540 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kow h ALA 540 CO -0.01 0.12 0.02 0.82 0.00 0.00 0.00 179.25 180.20 3kow h ILE 541 N 0.00 1.22 0.57 0.00 1.08 -1.28 -0.63 117.51 118.47 3kow h ILE 541 Ca -0.00 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3kow h ILE 541 Cb 0.42 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 3kow h ILE 541 CO 0.01 0.21 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.96 3kow h GLU 542 N 0.01 -0.89 -0.90 2.37 4.39 -1.22 0.19 114.58 118.53 3kow h GLU 542 Ca 0.04 0.06 0.24 0.00 0.34 0.00 0.00 59.36 60.04 3kow h GLU 542 Cb 0.30 0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 29.02 3kow h GLU 542 CO 0.00 -0.60 0.35 0.74 -1.16 0.00 0.00 179.01 178.35 3kow h PHE 543 N -0.93 0.56 -0.58 4.33 0.04 -1.49 0.35 116.94 119.22 3kow h PHE 543 Ca -0.07 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 3kow h PHE 543 Cb 0.77 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 3kow h PHE 543 CO -0.14 -0.13 0.20 0.00 -0.60 0.00 0.00 178.31 177.65 3kow h ALA 544 N 1.75 0.75 -0.11 2.45 0.00 -0.04 -2.68 119.26 121.38 3kow h ALA 544 Ca 0.57 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3kow h ALA 544 Cb 1.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kow h ALA 544 CO -0.59 0.40 -0.10 0.87 0.00 0.00 0.00 179.25 179.83 3kow h LYS 545 N 0.81 0.26 0.00 0.00 1.57 0.78 -2.79 116.57 117.20 3kow h LYS 545 Ca 0.19 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kow h LYS 545 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kow h LYS 545 CO -0.01 0.66 0.06 1.63 -0.57 0.00 0.00 179.45 181.22 3kow n LYS 546 N -4.64 0.04 -0.93 3.15 4.76 -0.03 0.18 118.16 120.69 3kow n LYS 546 Ca -0.07 0.50 -0.04 0.00 -2.87 0.00 0.00 58.31 55.84 3kow n LYS 546 Cb 0.32 -1.70 0.30 0.00 -1.84 0.00 0.00 35.03 32.11 3kow n LYS 546 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kow n MET 547 N -1.69 3.70 -3.73 1.97 2.81 -1.02 -4.93 117.12 114.22 3kow n MET 547 Ca -0.00 -2.83 -0.33 0.00 -1.81 0.00 0.00 57.70 52.72 3kow n MET 547 Cb 0.07 -2.16 0.04 0.00 -0.71 0.00 0.00 33.22 30.47 3kow n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kow n ASN 548 N 0.01 -5.20 -4.60 7.83 3.02 0.49 -4.99 115.26 111.82 3kow n ASN 548 Ca 0.36 -1.05 -0.34 0.00 -0.03 0.00 0.00 54.58 53.51 3kow n ASN 548 Cb 1.28 -3.18 -0.11 0.00 -0.61 0.00 0.00 39.78 37.17 3kow n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kow s LEU 549 N -6.59 3.31 -0.05 3.41 1.43 -1.13 -4.45 118.68 114.61 3kow s LEU 549 Ca 0.48 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3kow s LEU 549 Cb -0.18 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3kow s LEU 549 CO 0.87 0.33 0.18 -1.61 0.23 0.00 0.00 176.35 176.36 3kow s GLU 550 N -0.63 3.47 -0.87 1.70 0.41 0.21 -4.63 118.70 118.37 3kow s GLU 550 Ca 0.10 -0.19 -0.05 0.00 -0.41 0.00 0.00 54.97 54.42 3kow s GLU 550 Cb -0.12 -3.14 -0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3kow s GLU 550 CO 0.02 0.72 0.70 0.39 -0.49 0.00 0.00 175.26 176.59 3kow n GLU 551 N 1.43 -1.40 -3.10 1.61 1.02 -1.26 0.64 120.64 119.58 3kow n GLU 551 Ca -0.15 0.99 -0.38 0.00 -0.02 0.00 0.00 57.16 57.60 3kow n GLU 551 Cb 0.54 -4.23 -0.06 0.00 -0.02 0.00 0.00 31.44 27.67 3kow n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kow s VAL 552 N -3.11 4.54 -0.04 2.62 1.01 -1.26 -4.26 120.40 119.89 3kow s VAL 552 Ca 0.12 1.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 3kow s VAL 552 Cb -0.04 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3kow s VAL 552 CO 0.82 0.43 0.10 -1.61 0.00 0.00 0.00 175.10 174.84 3kow s GLU 553 N -1.41 0.07 -0.40 2.72 2.02 -0.92 -5.03 118.70 115.76 3kow s GLU 553 Ca 0.36 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.28 3kow s GLU 553 Cb -0.20 -0.08 0.02 0.00 0.10 0.00 0.00 34.13 33.97 3kow s GLU 553 CO 0.23 -0.09 1.11 0.08 0.02 0.00 0.00 175.26 176.60 3kow s VAL 554 N 0.61 4.35 -0.22 2.63 1.01 -1.26 -1.96 120.40 125.56 3kow s VAL 554 Ca -0.05 1.47 0.15 0.00 0.00 0.00 0.00 61.98 63.55 3kow s VAL 554 Cb -0.06 -4.51 0.72 0.00 0.00 0.00 0.00 36.38 32.52 3kow s VAL 554 CO -0.02 -0.76 1.64 2.30 0.00 0.00 0.00 175.10 178.26 3kow n ILE 555 N 6.38 2.61 0.00 2.22 -5.35 -0.93 -4.90 119.36 119.38 3kow n ILE 555 Ca 0.12 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 3kow n ILE 555 Cb 0.48 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 3kow n ILE 555 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kow n ASN 556 N 0.21 0.00 -4.43 7.28 5.15 -1.24 -4.89 115.26 117.35 3kow n ASN 556 Ca 0.26 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.89 3kow n ASN 556 Cb 1.10 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 40.22 3kow n ASN 556 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3kow s ARG 557 N 0.00 3.59 -0.14 1.20 3.00 -1.26 -1.61 118.95 123.72 3kow s ARG 557 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 55.73 55.20 3kow s ARG 557 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 34.95 31.85 3kow s ARG 557 CO 0.00 -0.04 -0.13 -1.21 0.00 0.00 0.00 175.30 173.92 3kow s GLU 558 N 1.12 3.35 0.25 3.54 2.02 -0.85 -5.02 118.70 123.12 3kow s GLU 558 Ca 0.03 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 3kow s GLU 558 Cb -0.14 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 3kow s GLU 558 CO 0.01 0.14 1.15 0.08 0.02 0.00 0.00 175.26 176.67 3kow s VAL 559 N 0.52 3.44 -0.16 2.63 1.01 -1.26 -1.02 120.40 125.55 3kow s VAL 559 Ca -0.09 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 3kow s VAL 559 Cb -0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3kow s VAL 559 CO 0.04 0.29 -0.22 0.23 0.00 0.00 0.00 175.10 175.44 3kow n MET 560 N 1.59 0.49 -3.89 2.72 0.00 -0.93 -4.89 117.12 112.20 3kow n MET 560 Ca 0.01 0.41 -0.11 0.00 0.00 0.00 0.00 57.70 58.01 3kow n MET 560 Cb 0.44 -1.60 -0.11 0.00 0.00 0.00 0.00 33.22 31.95 3kow n MET 560 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3kow s GLN 561 N -2.48 0.32 0.59 0.03 -0.44 -1.20 -5.01 119.66 111.48 3kow s GLN 561 Ca -0.21 -0.30 0.29 0.00 -2.50 0.00 0.00 55.36 52.64 3kow s GLN 561 Cb 0.03 0.13 1.65 0.00 -1.64 0.00 0.00 33.01 33.19 3kow s GLN 561 CO 0.32 -0.07 2.08 1.49 0.50 0.00 0.00 175.29 179.61 3kow h GLU 562 N 4.90 0.00 0.00 1.67 4.81 -1.96 -3.18 114.58 120.82 3kow h GLU 562 Ca -0.29 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 3kow h GLU 562 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3kow h GLU 562 CO 0.42 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 177.53 3kow n ALA 563 N -2.31 2.13 0.25 2.92 0.00 -1.26 -4.42 120.51 117.81 3kow n ALA 563 Ca 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3kow n ALA 563 Cb 0.36 0.44 0.64 0.00 0.00 0.00 0.00 19.45 20.88 3kow n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kow h GLU 564 N -0.03 0.00 0.00 0.00 4.39 -1.88 -3.38 114.58 113.69 3kow h GLU 564 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3kow h GLU 564 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3kow h GLU 564 CO -0.02 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 3kow n GLY 565 N -0.87 1.76 3.07 -3.84 0.00 -1.21 -4.37 105.19 99.73 3kow n GLY 565 Ca -0.02 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 3kow n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 566 N -2.00 -0.07 0.08 2.61 2.01 -0.17 -2.18 115.64 115.91 3kow s THR 566 Ca 0.00 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 3kow s THR 566 Cb 0.00 -0.40 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 3kow s THR 566 CO 0.00 0.06 0.59 -0.60 -0.69 0.00 0.00 174.62 173.99 3kow s ARG 567 N 1.36 4.25 -0.04 4.92 3.52 -0.19 -1.58 118.95 131.18 3kow s ARG 567 Ca -0.09 0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 56.29 3kow s ARG 567 Cb -0.10 -3.25 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3kow s ARG 567 CO -0.09 0.61 0.01 0.42 -0.81 0.00 0.00 175.30 175.44 3kow s ILE 568 N -1.03 0.16 0.12 4.11 -1.09 -0.86 -2.02 121.20 120.60 3kow s ILE 568 Ca 0.30 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 3kow s ILE 568 Cb -0.20 -0.30 -0.05 0.00 -1.58 0.00 0.00 42.46 40.34 3kow s ILE 568 CO 0.20 0.17 0.31 -1.61 -1.23 0.00 0.00 174.94 172.77 3kow s GLU 569 N 1.41 3.52 -0.12 2.79 8.01 -0.64 -1.65 118.70 132.02 3kow s GLU 569 Ca -0.04 -0.31 -0.09 0.00 0.01 0.00 0.00 54.97 54.53 3kow s GLU 569 Cb -0.13 -2.93 0.03 0.00 -4.31 0.00 0.00 34.13 26.79 3kow s GLU 569 CO -0.03 0.52 0.30 -0.51 0.01 0.00 0.00 175.26 175.55 3kow s LEU 570 N -2.77 0.69 0.22 1.80 1.02 0.11 -2.20 118.68 117.56 3kow s LEU 570 Ca 0.38 0.61 0.05 0.00 0.02 0.00 0.00 54.13 55.18 3kow s LEU 570 Cb -0.12 0.99 -0.03 0.00 0.02 0.00 0.00 46.19 47.05 3kow s LEU 570 CO 0.27 -0.12 0.31 -1.59 0.02 0.00 0.00 176.35 175.24 3kow s LYS 571 N 0.48 3.36 -0.12 1.70 -2.85 -0.83 0.57 119.74 122.05 3kow s LYS 571 Ca -0.03 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 3kow s LYS 571 Cb -0.04 -2.86 0.11 0.00 -2.06 0.00 0.00 37.83 32.98 3kow s LYS 571 CO -0.03 0.45 0.92 0.20 0.10 0.00 0.00 175.35 177.00 3kow s GLY 572 N -3.75 -0.35 -0.19 0.59 0.00 -1.11 -2.17 107.32 100.35 3kow s GLY 572 Ca 0.34 1.79 -0.11 0.00 0.00 0.00 0.00 44.72 46.74 3kow s GLY 572 CO 0.28 0.95 0.18 -1.60 0.00 0.00 0.00 173.10 172.91 3kow s ARG 573 N -1.32 4.20 -0.44 2.90 3.52 0.21 -1.94 118.95 126.09 3kow s ARG 573 Ca -0.03 -0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.20 3kow s ARG 573 Cb -0.00 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3kow s ARG 573 CO 0.02 0.29 0.85 0.08 -0.81 0.00 0.00 175.30 175.73 3kow s VAL 574 N 0.38 4.58 -0.07 7.11 1.01 0.28 0.67 120.40 134.37 3kow s VAL 574 Ca 0.10 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 3kow s VAL 574 Cb -0.12 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 3kow s VAL 574 CO -0.00 -0.71 2.33 -0.81 0.00 0.00 0.00 175.10 175.90 3kow n PRO 575 N 6.86 1.36 -3.57 2.72 -0.04 -1.26 -4.71 135.00 136.36 3kow n PRO 575 Ca 0.04 -0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 62.92 3kow n PRO 575 Cb 0.48 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 3kow n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kow s PHE 576 N -0.18 -0.20 0.00 0.54 -0.12 -1.26 -5.15 117.98 111.61 3kow s PHE 576 Ca 0.19 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 3kow s PHE 576 Cb 0.11 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 43.01 3kow s PHE 576 CO -0.01 -0.29 0.00 0.43 -0.05 0.00 0.00 175.22 175.30 3kow n SER 577 N -0.01 0.01 -3.92 1.98 7.64 -1.26 -4.85 113.62 113.19 3kow n SER 577 Ca -0.03 -0.90 -0.09 0.00 1.01 0.00 0.00 58.87 58.87 3kow n SER 577 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 3kow n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kow s ILE 578 N 1.10 0.01 -0.04 0.44 1.09 -0.94 -4.95 121.20 117.90 3kow s ILE 578 Ca 0.00 -1.22 0.05 0.00 -1.10 0.00 0.00 60.65 58.38 3kow s ILE 578 Cb 0.00 -2.03 -0.01 0.00 -1.06 0.00 0.00 42.46 39.36 3kow s ILE 578 CO 0.00 -0.04 -0.20 -0.62 -0.10 0.00 0.00 174.94 173.98 3kow s ASP 579 N -2.97 2.45 0.08 3.58 2.15 -1.26 -1.34 116.67 119.37 3kow s ASP 579 Ca 0.18 -0.40 -0.27 0.00 0.43 0.00 0.00 52.55 52.49 3kow s ASP 579 Cb -0.01 -0.55 -0.16 0.00 -0.30 0.00 0.00 42.92 41.89 3kow s ASP 579 CO 0.06 0.21 1.70 0.40 -0.17 0.00 0.00 175.17 177.36 3kow h ILE 580 N 5.01 0.74 0.00 4.11 1.08 -1.92 -3.08 117.51 123.45 3kow h ILE 580 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3kow h ILE 580 Cb 1.16 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3kow h ILE 580 CO 0.48 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.53 3kow n ASN 581 N -5.24 0.00 0.00 1.72 3.02 -1.26 -0.12 115.26 113.38 3kow n ASN 581 Ca -0.09 0.44 0.11 0.00 -0.03 0.00 0.00 54.58 55.01 3kow n ASN 581 Cb 0.16 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 38.76 3kow n ASN 581 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kow n SER 582 N -1.44 0.32 -4.73 6.41 7.64 -1.17 -5.00 113.62 115.65 3kow n SER 582 Ca 0.00 -0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 3kow n SER 582 Cb 0.01 1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 64.76 3kow n SER 582 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kow n LEU 583 N -2.12 4.14 -4.44 -3.43 4.77 0.82 -4.91 117.00 111.84 3kow n LEU 583 Ca -0.02 1.14 -0.44 0.00 -0.03 0.00 0.00 56.01 56.67 3kow n LEU 583 Cb 0.51 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.03 3kow n LEU 583 CO 0.44 0.04 1.27 -0.69 -1.33 0.00 0.00 177.39 177.12 3kow s VAL 584 N 0.00 5.22 -0.38 4.08 1.01 -1.26 -5.00 120.40 124.07 3kow s VAL 584 Ca 0.65 -2.77 -0.11 0.00 0.00 0.00 0.00 61.98 59.75 3kow s VAL 584 Cb -0.52 -4.85 0.03 0.00 0.00 0.00 0.00 36.38 31.04 3kow s VAL 584 CO 0.48 -1.53 0.22 -0.63 0.00 0.00 0.00 175.10 173.64 3kow s ILE 585 N 1.04 4.57 -0.07 2.22 1.01 -1.26 -5.07 121.20 123.64 3kow s ILE 585 Ca 0.40 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 3kow s ILE 585 Cb -0.04 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3kow s ILE 585 CO -0.02 -0.28 1.03 -2.84 0.00 0.00 0.00 174.94 172.83 3kow s PRO 586 N 1.54 4.44 0.00 2.79 0.02 -1.26 -5.28 135.00 137.26 3kow s PRO 586 Ca 0.02 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3kow s PRO 586 Cb -0.20 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3kow s PRO 586 CO 0.06 -0.27 0.00 -2.30 -0.33 0.00 0.00 177.00 174.16 3kow n PRO 587 N 4.75 2.72 0.00 5.54 -0.02 -1.26 -5.34 135.00 141.40 3kow n PRO 587 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kow n PRO 587 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3kow n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kow n ILE 591 N 0.00 0.00 -3.67 4.25 5.41 -1.26 -5.35 119.36 118.74 3kow n ILE 591 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3kow n ILE 591 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3kow n ILE 591 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kow s LEU 592 N 0.00 4.13 0.72 1.39 1.43 -1.26 -5.08 118.68 120.01 3kow s LEU 592 Ca 0.00 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 3kow s LEU 592 Cb 0.00 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3kow s LEU 592 CO 0.00 0.09 1.15 -0.94 0.23 0.00 0.00 176.35 176.87 3kow s SER 593 N 0.92 4.54 0.52 2.29 1.04 -1.26 -4.81 113.70 116.95 3kow s SER 593 Ca 0.08 2.13 0.32 0.00 0.48 0.00 0.00 55.95 58.95 3kow s SER 593 Cb -0.13 -2.56 1.45 0.00 0.10 0.00 0.00 66.02 64.88 3kow s SER 593 CO 0.03 -2.02 1.82 1.05 0.98 0.00 0.00 173.24 175.11 3kow h GLU 594 N -0.34 0.07 0.02 4.02 9.09 -2.00 -1.24 114.58 124.20 3kow h GLU 594 Ca -0.46 -0.00 -0.23 0.00 0.05 0.00 0.00 59.36 58.71 3kow h GLU 594 Cb 1.26 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3kow h GLU 594 CO 0.51 0.05 -0.97 -0.44 0.05 0.00 0.00 179.01 178.20 3kow h ASP 595 N 0.07 0.52 -0.24 3.06 3.32 -1.99 -2.34 116.42 118.83 3kow h ASP 595 Ca 0.53 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3kow h ASP 595 Cb 1.96 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 3kow h ASP 595 CO -0.06 1.24 0.05 -0.33 -1.72 0.00 0.00 179.24 178.42 3kow h GLU 596 N 0.21 0.38 -0.78 3.56 3.07 -1.58 0.28 114.58 119.72 3kow h GLU 596 Ca -0.09 -0.09 0.12 0.00 -0.50 0.00 0.00 59.36 58.81 3kow h GLU 596 Cb 1.62 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 29.39 3kow h GLU 596 CO 0.17 0.49 0.38 0.82 -1.40 0.00 0.00 179.01 179.47 3kow h ILE 597 N 0.20 0.76 -0.06 3.13 1.08 -1.51 -0.20 117.51 120.91 3kow h ILE 597 Ca 0.07 -0.20 -0.20 0.00 -0.39 0.00 0.00 64.86 64.15 3kow h ILE 597 Cb 0.29 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3kow h ILE 597 CO 0.00 0.11 -0.79 -0.09 -0.69 0.00 0.00 178.15 176.69 3kow h ARG 598 N 0.58 0.42 0.00 2.37 2.43 -1.19 -2.55 114.38 116.44 3kow h ARG 598 Ca 0.41 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kow h ARG 598 Cb 0.53 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3kow h ARG 598 CO -0.33 1.02 0.00 0.93 -1.51 0.00 0.00 179.97 180.07 3kow h GLU 599 N 0.28 0.00 0.01 0.20 5.08 -0.15 -0.50 114.58 119.50 3kow h GLU 599 Ca -0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3kow h GLU 599 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3kow h GLU 599 CO 0.14 0.00 -0.84 0.22 -1.00 0.00 0.00 179.01 177.52 3kow h ASP 600 N 0.00 0.05 0.83 1.42 3.58 -0.89 -3.17 116.42 118.23 3kow h ASP 600 Ca 0.00 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.73 3kow h ASP 600 Cb 0.51 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3kow h ASP 600 CO 0.00 1.34 0.00 0.40 -2.88 0.00 0.00 179.24 178.10 3kow h ILE 601 N -0.92 0.00 0.57 2.25 2.04 -1.49 -2.28 117.51 117.68 3kow h ILE 601 Ca -0.22 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3kow h ILE 601 Cb 1.26 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3kow h ILE 601 CO -0.11 0.00 -0.27 -0.08 0.00 0.00 0.00 178.15 177.69 3kow h GLU 602 N 0.00 -0.74 0.25 2.37 4.81 -1.18 -3.32 114.58 116.77 3kow h GLU 602 Ca 0.00 0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.94 3kow h GLU 602 Cb 0.41 0.17 0.04 0.00 0.63 0.00 0.00 28.75 30.00 3kow h GLU 602 CO 0.00 -0.44 -1.49 0.87 -0.73 0.00 0.00 179.01 177.21 3kow h LYS 603 N -0.90 0.53 -4.81 1.92 1.57 -1.49 -3.41 116.57 109.98 3kow h LYS 603 Ca -0.08 -0.90 -0.68 0.00 -1.87 0.00 0.00 60.65 57.12 3kow h LYS 603 Cb 0.63 0.33 -0.33 0.00 0.08 0.00 0.00 32.23 32.95 3kow h LYS 603 CO 0.13 1.43 -0.72 0.99 -0.57 0.00 0.00 179.45 180.71 3kow s THR 604 N -2.60 2.94 0.67 -0.16 2.01 -0.87 -5.12 115.64 112.50 3kow s THR 604 Ca -0.09 -1.31 -0.17 0.00 0.31 0.00 0.00 61.69 60.43 3kow s THR 604 Cb 0.04 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.91 3kow s THR 604 CO 0.94 -0.03 1.23 -2.65 -0.69 0.00 0.00 174.62 173.42 3kow n PRO 605 N 4.63 0.95 -3.75 4.92 -0.02 -1.25 -4.20 135.00 136.28 3kow n PRO 605 Ca -0.14 0.38 -0.26 0.00 -2.02 0.00 0.00 63.50 61.46 3kow n PRO 605 Cb 0.44 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 3kow n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kow s LEU 606 N -4.18 1.02 -0.20 2.45 2.96 -1.26 -5.06 118.68 114.40 3kow s LEU 606 Ca 0.81 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3kow s LEU 606 Cb -0.37 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 3kow s LEU 606 CO 0.43 -0.27 0.07 -0.75 -1.32 0.00 0.00 176.35 174.50 3kow s LYS 607 N 1.88 3.88 0.03 1.98 2.20 -1.26 -0.63 119.74 127.82 3kow s LYS 607 Ca 0.01 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 3kow s LYS 607 Cb -0.16 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3kow s LYS 607 CO -0.07 0.13 -0.19 0.42 -0.36 0.00 0.00 175.35 175.28 3kow s ILE 608 N 0.77 1.48 -0.20 5.43 1.09 0.21 -0.55 121.20 129.44 3kow s ILE 608 Ca 0.03 -1.04 -0.05 0.00 -1.10 0.00 0.00 60.65 58.49 3kow s ILE 608 Cb -0.13 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.95 3kow s ILE 608 CO 0.02 0.21 0.00 0.68 -0.10 0.00 0.00 174.94 175.76 3kow s VAL 609 N -0.71 4.02 0.01 2.92 -7.23 -0.51 -0.07 120.40 118.82 3kow s VAL 609 Ca 0.06 -0.29 0.04 0.00 -1.81 0.00 0.00 61.98 59.98 3kow s VAL 609 Cb -0.08 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3kow s VAL 609 CO 0.01 0.43 -0.13 0.00 -0.31 0.00 0.00 175.10 175.10 3kow s ALA 610 N 0.94 1.10 -0.13 1.32 0.00 -1.15 -1.00 121.76 122.85 3kow s ALA 610 Ca 0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3kow s ALA 610 Cb -0.14 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.81 3kow s ALA 610 CO 0.02 0.25 0.72 0.00 0.00 0.00 0.00 175.76 176.75 3kow s ALA 611 N -0.48 -1.79 -0.23 0.00 0.00 -0.90 -0.82 121.76 117.54 3kow s ALA 611 Ca 0.04 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 3kow s ALA 611 Cb -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3kow s ALA 611 CO 0.00 -0.35 0.80 0.99 0.00 0.00 0.00 175.76 177.19 3kow s THR 612 N -0.68 4.87 0.31 0.00 2.01 -0.93 -1.56 115.64 119.66 3kow s THR 612 Ca -0.07 1.51 0.03 0.00 0.31 0.00 0.00 61.69 63.47 3kow s THR 612 Cb -0.02 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3kow s THR 612 CO 0.06 -0.04 0.47 -0.69 -0.69 0.00 0.00 174.62 173.74 3kow s VAL 613 N 2.65 4.95 0.00 3.82 1.01 -1.08 -2.10 120.40 129.65 3kow s VAL 613 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3kow s VAL 613 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3kow s VAL 613 CO 0.08 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3kow n GLY 614 N -1.64 0.61 1.17 4.51 0.00 -0.35 -3.68 105.19 105.80 3kow n GLY 614 Ca -0.05 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3kow n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kow n GLU 615 N 5.19 3.39 -2.65 1.61 1.02 -1.26 -3.60 120.64 124.33 3kow n GLU 615 Ca 0.00 -2.72 -0.42 0.00 -0.02 0.00 0.00 57.16 54.00 3kow n GLU 615 Cb 0.00 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 3kow n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kow s ASP 616 N -1.27 7.28 0.00 1.62 3.68 -1.24 -4.79 116.67 121.95 3kow s ASP 616 Ca 0.42 1.69 0.18 0.00 2.13 0.00 0.00 52.55 56.97 3kow s ASP 616 Cb 0.30 -2.57 0.25 0.00 -1.45 0.00 0.00 42.92 39.45 3kow s ASP 616 CO 0.16 -0.36 1.18 -0.62 0.13 0.00 0.00 175.17 175.67 3kow n GLU 617 N 4.26 1.92 -2.50 4.34 -0.58 -1.26 -1.89 120.64 124.94 3kow n GLU 617 Ca 0.07 -1.84 -0.40 0.00 -0.42 0.00 0.00 57.16 54.57 3kow n GLU 617 Cb 0.50 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 3kow n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kow s HIS 618 N -1.39 2.30 -0.10 -0.32 3.76 -1.26 -4.81 115.29 113.47 3kow s HIS 618 Ca 0.26 -0.21 0.21 0.00 -0.15 0.00 0.00 55.06 55.17 3kow s HIS 618 Cb 0.17 -4.59 -0.26 0.00 1.11 0.00 0.00 32.58 29.01 3kow s HIS 618 CO 0.24 -2.04 0.52 -1.13 -0.85 0.00 0.00 174.74 171.47 3kow n SER 619 N 9.62 0.20 -0.21 1.40 3.41 -1.26 -4.55 113.62 122.23 3kow n SER 619 Ca 0.14 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 3kow n SER 619 Cb 0.50 1.43 0.02 0.00 -0.26 0.00 0.00 64.21 65.90 3kow n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kow h VAL 620 N 0.00 1.25 -0.43 -3.33 2.07 -1.99 -2.67 116.25 111.15 3kow h VAL 620 Ca -0.12 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.54 3kow h VAL 620 Cb 1.29 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.70 3kow h VAL 620 CO 0.01 0.35 -0.43 1.23 0.02 0.00 0.00 177.57 178.75 3kow h GLY 621 N 0.86 -0.55 1.96 2.17 0.00 -2.00 -0.76 103.07 104.74 3kow h GLY 621 Ca 0.18 0.55 -0.13 0.00 0.00 0.00 0.00 47.33 47.93 3kow h GLY 621 CO 0.01 -0.18 -0.60 -2.00 0.00 0.00 0.00 176.54 173.77 3kow h LEU 622 N -0.31 0.05 -1.36 3.11 5.85 -1.81 -2.47 115.31 118.37 3kow h LEU 622 Ca 0.14 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3kow h LEU 622 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3kow h LEU 622 CO -0.59 0.64 -0.17 0.03 -0.34 0.00 0.00 178.44 178.01 3kow h ARG 623 N 0.03 0.22 -0.06 1.25 3.08 -1.08 -2.95 114.38 114.86 3kow h ARG 623 Ca -0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kow h ARG 623 Cb 1.07 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kow h ARG 623 CO 0.08 0.39 0.02 1.49 -1.07 0.00 0.00 179.97 180.89 3kow h GLU 624 N 0.21 0.10 -0.02 0.04 4.57 -0.66 0.49 114.58 119.31 3kow h GLU 624 Ca 0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kow h GLU 624 Cb 0.42 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3kow h GLU 624 CO 0.03 0.25 0.00 1.33 -1.18 0.00 0.00 179.01 179.43 3kow n VAL 625 N -4.94 0.02 -0.10 0.32 0.24 -1.20 -3.71 118.33 108.95 3kow n VAL 625 Ca -0.06 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.34 62.02 3kow n VAL 625 Cb 0.12 -0.24 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 3kow n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kow n ILE 626 N -0.68 1.16 -2.32 1.34 5.41 -0.85 -1.22 119.36 122.19 3kow n ILE 626 Ca 0.17 -0.39 -0.38 0.00 1.00 0.00 0.00 62.75 63.15 3kow n ILE 626 Cb 0.12 -1.42 -0.02 0.00 -0.71 0.00 0.00 39.64 37.61 3kow n ILE 626 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3kow s ASP 627 N -6.29 6.62 0.43 4.38 1.01 0.17 -1.63 116.67 121.35 3kow s ASP 627 Ca -0.28 2.33 0.19 0.00 0.71 0.00 0.00 52.55 55.50 3kow s ASP 627 Cb 0.09 -2.61 0.98 0.00 1.01 0.00 0.00 42.92 42.38 3kow s ASP 627 CO 0.43 -0.61 1.90 -0.29 0.21 0.00 0.00 175.17 176.81 3kow h ILE 628 N 2.41 0.93 -0.11 0.77 2.10 -1.89 -0.08 117.51 121.64 3kow h ILE 628 Ca -0.49 -1.02 0.04 0.00 1.08 0.00 0.00 64.86 64.48 3kow h ILE 628 Cb 1.23 1.60 -0.06 0.00 -1.09 0.00 0.00 36.82 38.49 3kow h ILE 628 CO 0.63 0.26 -0.37 0.50 -1.08 0.00 0.00 178.15 178.09 3kow h LYS 629 N 0.00 -0.44 -1.06 2.19 1.63 -1.93 -2.51 116.57 114.45 3kow h LYS 629 Ca -0.00 0.03 -0.58 0.00 -0.85 0.00 0.00 60.65 59.25 3kow h LYS 629 Cb 0.57 0.10 -0.27 0.00 -0.60 0.00 0.00 32.23 32.04 3kow h LYS 629 CO 0.04 -0.30 0.74 0.72 -3.45 0.00 0.00 179.45 177.20 3kow n HIS 630 N -5.43 2.91 -2.37 1.91 8.25 -1.23 -4.84 115.22 114.42 3kow n HIS 630 Ca -0.04 -2.53 -0.14 0.00 -0.26 0.00 0.00 57.72 54.75 3kow n HIS 630 Cb 0.35 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.22 3kow n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 631 N -0.79 -0.16 3.41 -1.41 0.00 -0.94 -4.67 105.19 100.63 3kow n GLY 631 Ca 0.57 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 3kow n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kow s GLY 632 N -2.50 1.48 -0.03 -0.02 0.00 -0.04 -3.29 107.32 102.92 3kow s GLY 632 Ca 0.04 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.02 3kow s GLY 632 CO 0.06 0.14 1.06 0.29 0.00 0.00 0.00 173.10 174.65 3kow n ILE 633 N -5.30 0.51 0.08 0.90 -5.35 -0.36 -2.24 119.36 107.60 3kow n ILE 633 Ca 0.12 -0.35 -0.10 0.00 -0.27 0.00 0.00 62.75 62.15 3kow n ILE 633 Cb 0.59 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.35 3kow n ILE 633 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3kow h GLU 634 N 1.30 0.14 -1.02 6.28 4.81 -1.55 -2.73 114.58 121.80 3kow h GLU 634 Ca 0.00 -0.20 0.25 0.00 -0.13 0.00 0.00 59.36 59.28 3kow h GLU 634 Cb 0.55 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 3kow h GLU 634 CO 0.06 1.03 0.63 -0.22 -0.73 0.00 0.00 179.01 179.77 3kow h LYS 635 N 0.06 0.50 -0.60 1.92 3.64 -1.70 -1.99 116.57 118.40 3kow h LYS 635 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kow h LYS 635 Cb 1.70 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3kow h LYS 635 CO 0.15 0.33 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 3kow n TYR 636 N -4.75 0.80 -0.53 1.91 4.01 -1.25 -4.92 117.16 112.43 3kow n TYR 636 Ca 0.26 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3kow n TYR 636 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 3kow n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kow n GLY 637 N 1.52 0.72 3.74 2.72 0.00 -0.75 -4.67 105.19 108.47 3kow n GLY 637 Ca 0.21 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kow n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 638 N -2.00 3.41 -0.35 1.61 1.01 -1.03 -4.70 120.40 118.35 3kow s VAL 638 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 3kow s VAL 638 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3kow s VAL 638 CO 0.00 0.21 0.72 -0.70 0.00 0.00 0.00 175.10 175.33 3kow s GLU 639 N -0.41 3.75 -0.24 2.72 2.12 0.20 -4.57 118.70 122.28 3kow s GLU 639 Ca 0.53 0.24 0.01 0.00 0.36 0.00 0.00 54.97 56.11 3kow s GLU 639 Cb -0.34 -3.80 0.04 0.00 0.26 0.00 0.00 34.13 30.30 3kow s GLU 639 CO 0.38 -0.78 -0.11 0.08 -0.54 0.00 0.00 175.26 174.30 3kow s VAL 640 N 2.91 2.36 -0.98 3.70 1.01 -1.26 0.66 120.40 128.80 3kow s VAL 640 Ca 0.28 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 3kow s VAL 640 Cb -0.14 -2.26 0.22 0.00 0.00 0.00 0.00 36.38 34.20 3kow s VAL 640 CO 0.15 0.15 1.02 -1.00 0.00 0.00 0.00 175.10 175.42 3kow s HIS 641 N 1.21 3.78 -0.04 5.22 3.76 0.89 -4.98 115.29 125.12 3kow s HIS 641 Ca -0.03 -2.13 -0.30 0.00 -0.15 0.00 0.00 55.06 52.45 3kow s HIS 641 Cb -0.18 -3.97 -0.06 0.00 1.11 0.00 0.00 32.58 29.49 3kow s HIS 641 CO -0.06 -1.11 1.62 -0.47 -0.85 0.00 0.00 174.74 173.86 3kow s TYR 642 N 0.32 2.11 -0.72 1.40 5.04 -1.26 -2.93 117.35 121.31 3kow s TYR 642 Ca 0.28 0.28 0.24 0.00 -2.44 0.00 0.00 57.07 55.43 3kow s TYR 642 Cb -0.08 -3.88 0.38 0.00 0.35 0.00 0.00 41.96 38.73 3kow s TYR 642 CO -0.08 -3.66 1.34 1.28 -1.34 0.00 0.00 175.55 173.09 3kow n LEU 643 N 6.86 0.64 0.00 6.97 4.77 -0.00 -4.97 117.00 131.26 3kow n LEU 643 Ca 0.17 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3kow n LEU 643 Cb 0.43 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3kow n LEU 643 CO 0.62 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3kow n GLY 644 N 1.38 -1.70 3.86 -0.72 0.00 -1.26 -4.96 105.19 101.78 3kow n GLY 644 Ca 0.04 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 3kow n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kow s THR 645 N 0.00 2.48 -1.88 2.61 -4.23 -1.26 -2.20 115.64 111.16 3kow s THR 645 Ca 0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3kow s THR 645 Cb 0.00 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3kow s THR 645 CO 0.00 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.88 3kow n SER 646 N -1.54 -5.45 -4.69 3.99 7.64 -0.79 -4.94 113.62 107.85 3kow n SER 646 Ca 0.03 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.74 3kow n SER 646 Cb 0.62 -4.58 -0.03 0.00 -1.01 0.00 0.00 64.21 59.22 3kow n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kow s VAL 647 N -2.83 4.44 0.37 0.44 1.01 -1.01 -4.59 120.40 118.23 3kow s VAL 647 Ca 0.00 1.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.44 3kow s VAL 647 Cb 0.00 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 3kow s VAL 647 CO 0.00 0.00 1.43 -2.84 0.00 0.00 0.00 175.10 173.69 3kow s PRO 648 N 2.14 4.14 0.36 2.72 0.02 -1.26 -1.22 135.00 141.90 3kow s PRO 648 Ca 0.53 2.45 0.05 0.00 0.02 0.00 0.00 61.00 64.06 3kow s PRO 648 Cb -0.22 -2.96 0.73 0.00 0.02 0.00 0.00 34.50 32.06 3kow s PRO 648 CO 0.21 -0.46 1.98 0.28 -0.33 0.00 0.00 177.00 178.67 3kow h VAL 649 N 2.92 1.06 0.25 3.83 2.07 -1.94 0.11 116.25 124.54 3kow h VAL 649 Ca -0.50 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3kow h VAL 649 Cb 1.24 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3kow h VAL 649 CO 0.64 0.14 -0.29 -0.08 0.02 0.00 0.00 177.57 178.00 3kow h GLU 650 N 0.77 -0.56 -0.67 1.57 4.57 -1.93 -2.73 114.58 115.59 3kow h GLU 650 Ca 0.29 0.04 0.19 0.00 -1.18 0.00 0.00 59.36 58.70 3kow h GLU 650 Cb 0.17 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3kow h GLU 650 CO -0.09 -0.38 0.56 -0.22 -1.18 0.00 0.00 179.01 177.70 3kow h LYS 651 N -0.59 0.00 0.02 1.92 1.63 -1.35 0.07 116.57 118.28 3kow h LYS 651 Ca -0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 3kow h LYS 651 Cb 0.55 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3kow h LYS 651 CO -0.09 0.00 -0.28 1.25 -3.45 0.00 0.00 179.45 176.89 3kow h LEU 652 N 0.00 0.20 -1.36 5.20 5.85 -1.25 -2.70 115.31 121.25 3kow h LEU 652 Ca 0.32 -0.86 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 3kow h LEU 652 Cb 1.43 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3kow h LEU 652 CO -0.00 1.04 -0.11 0.58 -0.34 0.00 0.00 178.44 179.61 3kow h VAL 653 N -0.61 1.18 -0.07 1.05 2.07 -0.94 -0.27 116.25 118.65 3kow h VAL 653 Ca -0.04 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3kow h VAL 653 Cb 1.11 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3kow h VAL 653 CO 0.05 0.25 0.04 0.44 0.02 0.00 0.00 177.57 178.37 3kow h ASP 654 N 0.28 0.09 -0.89 0.57 3.32 -1.10 -2.88 116.42 115.81 3kow h ASP 654 Ca 0.06 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3kow h ASP 654 Cb 0.37 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3kow h ASP 654 CO 0.02 0.14 0.49 0.00 -1.72 0.00 0.00 179.24 178.17 3kow h ALA 655 N 0.95 1.15 -0.79 3.45 0.00 -1.07 -0.12 119.26 122.83 3kow h ALA 655 Ca 0.02 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3kow h ALA 655 Cb 0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.43 3kow h ALA 655 CO -0.00 0.66 0.41 0.00 0.00 0.00 0.00 179.25 180.32 3kow h ALA 656 N 1.26 1.12 0.11 0.00 0.00 -0.89 0.79 119.26 121.66 3kow h ALA 656 Ca 0.31 0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 3kow h ALA 656 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kow h ALA 656 CO -0.05 -0.01 -1.46 0.82 0.00 0.00 0.00 179.25 178.55 3kow h ILE 657 N 0.67 1.23 -0.56 0.00 2.04 -1.29 0.13 117.51 119.73 3kow h ILE 657 Ca 0.40 -2.87 0.11 0.00 1.00 0.00 0.00 64.86 63.49 3kow h ILE 657 Cb 0.44 2.78 -0.11 0.00 -0.74 0.00 0.00 36.82 39.20 3kow h ILE 657 CO -0.29 0.83 -0.28 -0.08 0.00 0.00 0.00 178.15 178.33 3kow h GLU 658 N 0.06 -0.13 -0.74 2.37 4.81 -0.55 -1.99 114.58 118.41 3kow h GLU 658 Ca -0.21 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.91 3kow h GLU 658 Cb 2.00 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 31.34 3kow h GLU 658 CO 0.16 -0.09 0.15 1.28 -0.73 0.00 0.00 179.01 179.78 3kow n LEU 659 N -5.43 5.30 -3.89 1.64 4.77 0.23 -4.92 117.00 114.69 3kow n LEU 659 Ca 0.05 -2.73 -0.27 0.00 -0.03 0.00 0.00 56.01 53.03 3kow n LEU 659 Cb 0.35 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3kow n LEU 659 CO 0.03 0.67 -0.12 2.29 -1.33 0.00 0.00 177.39 178.93 3kow n LYS 660 N 0.15 -0.61 -1.97 3.23 2.85 -0.75 -4.87 118.16 116.19 3kow n LYS 660 Ca 0.31 -0.16 -0.29 0.00 -1.05 0.00 0.00 58.31 57.11 3kow n LYS 660 Cb 1.17 -1.14 0.06 0.00 -0.65 0.00 0.00 35.03 34.47 3kow n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kow s ALA 661 N -4.11 2.88 -0.02 0.58 0.00 0.44 -4.95 121.76 116.58 3kow s ALA 661 Ca 0.25 -0.54 0.14 0.00 0.00 0.00 0.00 51.96 51.81 3kow s ALA 661 Cb -0.14 -2.92 -0.21 0.00 0.00 0.00 0.00 23.12 19.85 3kow s ALA 661 CO 0.57 -1.31 0.30 -0.25 0.00 0.00 0.00 175.76 175.07 3kow n ASP 662 N -3.06 1.86 -3.68 0.00 9.92 0.29 -4.94 116.55 116.94 3kow n ASP 662 Ca 0.07 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.19 3kow n ASP 662 Cb 0.59 1.62 -0.08 0.00 -0.64 0.00 0.00 41.12 42.61 3kow n ASP 662 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kow s ALA 663 N -2.95 -1.34 -0.19 2.24 0.00 -1.22 -1.63 121.76 116.66 3kow s ALA 663 Ca -0.05 1.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 3kow s ALA 663 Cb 0.09 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3kow s ALA 663 CO 0.57 -0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.55 3kow s ILE 664 N -0.03 4.78 -0.34 0.00 1.01 0.93 -1.42 121.20 126.13 3kow s ILE 664 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 3kow s ILE 664 Cb -0.04 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.36 3kow s ILE 664 CO 0.02 0.45 0.06 -0.76 0.00 0.00 0.00 174.94 174.71 3kow s LEU 665 N 0.43 4.45 -0.10 2.97 1.43 -0.17 -0.30 118.68 127.39 3kow s LEU 665 Ca 0.03 -1.72 -0.04 0.00 -1.03 0.00 0.00 54.13 51.37 3kow s LEU 665 Cb -0.12 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3kow s LEU 665 CO 0.00 -0.36 0.07 0.00 0.23 0.00 0.00 176.35 176.29 3kow s ALA 666 N 1.12 3.57 0.28 4.21 0.00 0.14 -2.12 121.76 128.96 3kow s ALA 666 Ca 0.02 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.34 3kow s ALA 666 Cb -0.21 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3kow s ALA 666 CO -0.04 0.60 0.08 0.45 0.00 0.00 0.00 175.76 176.85 3kow s SER 667 N -0.95 4.81 -0.31 0.00 0.15 -0.60 -2.14 113.70 114.66 3kow s SER 667 Ca 0.14 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.23 3kow s SER 667 Cb -0.12 -0.95 0.19 0.00 -1.71 0.00 0.00 66.02 63.44 3kow s SER 667 CO 0.03 -0.08 0.70 0.28 1.20 0.00 0.00 173.24 175.38 3kow s THR 668 N -2.30 -0.82 -0.09 6.45 -1.32 -0.63 -2.62 115.64 114.30 3kow s THR 668 Ca 0.33 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.74 3kow s THR 668 Cb -0.06 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.24 3kow s THR 668 CO 0.22 0.00 -0.15 -0.38 -2.21 0.00 0.00 174.62 172.10 3kow n ILE 669 N 5.14 0.81 -1.55 5.08 2.08 -1.26 -4.25 119.36 125.41 3kow n ILE 669 Ca 0.07 0.32 -0.55 0.00 0.56 0.00 0.00 62.75 63.15 3kow n ILE 669 Cb 0.56 -1.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.39 3kow n ILE 669 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kow n ILE 670 N -3.58 0.02 -2.03 1.39 5.41 -1.26 -4.63 119.36 114.67 3kow n ILE 670 Ca -0.06 -0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.72 3kow n ILE 670 Cb 0.22 -0.45 0.06 0.00 -0.71 0.00 0.00 39.64 38.76 3kow n ILE 670 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3kow n SER 671 N 2.05 0.95 -4.67 4.38 3.41 -1.26 -4.20 113.62 114.29 3kow n SER 671 Ca 0.19 -2.42 -0.41 0.00 -0.26 0.00 0.00 58.87 55.97 3kow n SER 671 Cb 0.14 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 3kow n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kow s HIS 672 N -0.84 3.40 -0.26 7.33 5.04 -1.26 -3.37 115.29 125.34 3kow s HIS 672 Ca 0.23 1.18 -0.00 0.00 -1.54 0.00 0.00 55.06 54.94 3kow s HIS 672 Cb 0.25 -2.98 0.00 0.00 0.04 0.00 0.00 32.58 29.89 3kow s HIS 672 CO -0.08 -0.24 0.01 -3.47 -2.34 0.00 0.00 174.74 168.62 3kow n ASP 673 N 5.27 -1.76 -1.29 9.88 2.03 -1.26 -3.46 116.55 125.97 3kow n ASP 673 Ca 0.03 -0.01 -0.15 0.00 0.52 0.00 0.00 54.79 55.19 3kow n ASP 673 Cb 0.49 -1.14 -0.07 0.00 -0.72 0.00 0.00 41.12 39.68 3kow n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kow n ASP 674 N 1.40 -4.84 0.15 1.67 8.00 -1.22 -4.82 116.55 116.90 3kow n ASP 674 Ca -0.03 0.38 0.19 0.00 0.71 0.00 0.00 54.79 56.03 3kow n ASP 674 Cb 0.53 -4.10 0.77 0.00 -0.02 0.00 0.00 41.12 38.30 3kow n ASP 674 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kow h ILE 675 N 0.00 0.31 0.09 0.53 6.09 -1.76 -0.19 117.51 122.59 3kow h ILE 675 Ca -0.31 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 62.91 3kow h ILE 675 Cb 1.13 0.67 0.01 0.00 0.47 0.00 0.00 36.82 39.11 3kow h ILE 675 CO 0.46 0.00 -1.16 1.12 -3.07 0.00 0.00 178.15 175.50 3kow h HIS 676 N 0.00 0.71 0.00 2.19 2.07 -1.86 -1.92 115.15 116.35 3kow h HIS 676 Ca 0.14 -0.45 -0.10 0.00 -2.85 0.00 0.00 60.37 57.11 3kow h HIS 676 Cb 0.93 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.84 3kow h HIS 676 CO 0.00 1.31 -0.47 1.88 -3.07 0.00 0.00 177.93 177.58 3kow h TYR 677 N 0.19 0.00 0.04 6.12 0.05 -1.43 -3.13 116.97 118.80 3kow h TYR 677 Ca -0.14 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 3kow h TYR 677 Cb 1.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.58 3kow h TYR 677 CO 0.08 0.47 -0.02 0.87 -1.05 0.00 0.00 178.16 178.52 3kow h LYS 678 N 0.00 -0.05 -1.33 4.88 1.57 -1.47 -2.65 116.57 117.54 3kow h LYS 678 Ca -0.00 0.00 0.38 0.00 -1.87 0.00 0.00 60.65 59.16 3kow h LYS 678 Cb 1.05 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 3kow h LYS 678 CO 0.06 0.59 0.99 -0.91 -0.57 0.00 0.00 179.45 179.61 3kow h ASN 679 N -0.93 0.00 0.01 0.86 2.35 -1.43 0.19 115.58 116.62 3kow h ASN 679 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3kow h ASN 679 Cb 0.66 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.04 3kow h ASN 679 CO 0.01 0.00 -0.41 0.24 -1.65 0.00 0.00 177.43 175.62 3kow h MET 680 N 0.00 0.27 -0.22 0.81 2.86 -1.50 -2.77 114.93 114.37 3kow h MET 680 Ca 0.63 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 58.01 3kow h MET 680 Cb 2.60 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 34.33 3kow h MET 680 CO -0.01 1.01 0.15 -0.22 1.06 0.00 0.00 176.91 178.91 3kow h LYS 681 N -0.36 0.16 0.00 1.72 3.64 -0.33 0.25 116.57 121.66 3kow h LYS 681 Ca -0.05 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3kow h LYS 681 Cb 1.16 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3kow h LYS 681 CO 0.08 0.11 -0.72 0.00 -2.27 0.00 0.00 179.45 176.65 3kow h ARG 682 N 0.17 0.00 -0.30 1.90 3.08 -1.14 -2.19 114.38 115.91 3kow h ARG 682 Ca 0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3kow h ARG 682 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3kow h ARG 682 CO -0.02 0.72 -0.14 0.82 -1.07 0.00 0.00 179.97 180.28 3kow h ILE 683 N 0.00 1.29 -0.82 2.04 2.04 -0.69 -1.66 117.51 119.71 3kow h ILE 683 Ca -0.01 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3kow h ILE 683 Cb 1.36 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3kow h ILE 683 CO 0.09 0.40 0.46 -0.74 0.00 0.00 0.00 178.15 178.36 3kow h HIS 684 N 0.37 1.12 -0.05 1.37 2.76 -1.24 -2.14 115.15 117.35 3kow h HIS 684 Ca 0.07 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3kow h HIS 684 Cb 0.67 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 3kow h HIS 684 CO 0.06 0.78 -0.07 0.93 -1.30 0.00 0.00 177.93 178.33 3kow h GLU 685 N 1.14 0.13 -0.65 5.26 5.08 -1.36 0.37 114.58 124.55 3kow h GLU 685 Ca 0.29 -0.08 0.19 0.00 -1.00 0.00 0.00 59.36 58.76 3kow h GLU 685 Cb 0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3kow h GLU 685 CO -0.05 0.63 0.58 -0.07 -1.00 0.00 0.00 179.01 179.10 3kow h LEU 686 N -0.36 0.00 0.06 1.33 3.38 -1.28 0.12 115.31 118.55 3kow h LEU 686 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3kow h LEU 686 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kow h LEU 686 CO 0.02 0.00 -0.85 0.00 0.09 0.00 0.00 178.44 177.70 3kow h ALA 687 N 1.45 0.09 0.76 1.53 0.00 -1.08 -3.07 119.26 118.94 3kow h ALA 687 Ca 0.31 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3kow h ALA 687 Cb 1.47 0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.59 3kow h ALA 687 CO -0.00 0.47 -0.38 0.28 0.00 0.00 0.00 179.25 179.62 3kow h VAL 688 N -0.67 0.22 -0.78 0.00 2.07 -0.24 -2.66 116.25 114.19 3kow h VAL 688 Ca -0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3kow h VAL 688 Cb 1.42 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.29 3kow h VAL 688 CO 0.00 0.00 -0.51 -0.08 0.02 0.00 0.00 177.57 177.00 3kow h GLU 689 N -1.05 -0.13 -0.45 1.57 4.81 -0.96 0.60 114.58 118.98 3kow h GLU 689 Ca -0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3kow h GLU 689 Cb 0.81 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3kow h GLU 689 CO 0.16 -0.09 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 3kow n LYS 690 N -5.35 0.58 -3.70 1.92 5.02 -1.16 -4.85 118.16 110.62 3kow n LYS 690 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 3kow n LYS 690 Cb 0.32 -1.23 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 3kow n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kow n GLY 691 N 0.18 -0.34 0.21 0.72 0.00 0.20 -4.88 105.19 101.29 3kow n GLY 691 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kow n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kow n ILE 692 N -4.35 0.00 0.26 -0.61 -5.35 -1.01 -4.92 119.36 103.37 3kow n ILE 692 Ca -0.23 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.37 3kow n ILE 692 Cb 0.65 0.51 0.72 0.00 -1.74 0.00 0.00 39.64 39.77 3kow n ILE 692 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3kow h ARG 693 N 0.00 0.00 0.00 6.28 9.65 -1.80 -3.10 114.38 125.41 3kow h ARG 693 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kow h ARG 693 Cb 1.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3kow h ARG 693 CO 0.00 0.12 -1.21 -0.40 2.80 0.00 0.00 179.97 181.28 3kow n ASP 694 N -3.59 0.62 -1.13 -3.80 5.75 -1.26 -4.17 116.55 108.97 3kow n ASP 694 Ca -0.02 0.16 -0.00 0.00 -0.01 0.00 0.00 54.79 54.92 3kow n ASP 694 Cb 0.25 0.83 0.22 0.00 -1.03 0.00 0.00 41.12 41.39 3kow n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kow n LYS 695 N -2.44 2.30 -3.68 0.11 5.02 -1.17 -4.94 118.16 113.35 3kow n LYS 695 Ca -0.00 -3.04 -0.10 0.00 -2.02 0.00 0.00 58.31 53.15 3kow n LYS 695 Cb 0.53 -1.85 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 3kow n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kow s ILE 696 N -3.09 -0.27 -0.11 -0.18 2.07 -1.24 -4.90 121.20 113.49 3kow s ILE 696 Ca 0.45 0.14 -0.28 0.00 -1.41 0.00 0.00 60.65 59.55 3kow s ILE 696 Cb 0.39 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3kow s ILE 696 CO 0.04 0.06 0.93 -0.04 -1.91 0.00 0.00 174.94 174.02 3kow s MET 697 N 1.88 4.40 -0.29 3.50 -1.94 -0.65 -4.91 119.30 121.29 3kow s MET 697 Ca -0.06 1.25 -0.07 0.00 -1.71 0.00 0.00 55.69 55.10 3kow s MET 697 Cb -0.10 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.20 3kow s MET 697 CO -0.12 -0.28 0.09 0.42 -0.01 0.00 0.00 175.02 175.12 3kow s ILE 698 N 1.90 4.06 0.02 2.53 1.01 -1.26 -0.05 121.20 129.42 3kow s ILE 698 Ca 0.45 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.54 3kow s ILE 698 Cb -0.18 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3kow s ILE 698 CO 0.17 0.10 -0.19 -0.83 0.00 0.00 0.00 174.94 174.19 3kow s GLY 699 N 1.52 0.99 0.04 6.18 0.00 0.59 -1.02 107.32 115.62 3kow s GLY 699 Ca 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3kow s GLY 699 CO 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 173.10 172.23 3kow s GLY 701 N -1.63 1.78 0.00 0.00 0.00 -0.91 -1.08 107.32 105.48 3kow s GLY 701 Ca -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3kow s GLY 701 CO -0.01 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.55 3kow n GLY 702 N -0.59 3.78 0.42 0.20 0.00 -0.89 -1.61 105.19 106.51 3kow n GLY 702 Ca 0.03 -0.61 0.32 0.00 0.00 0.00 0.00 46.02 45.76 3kow n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kow h THR 703 N 4.40 0.22 -0.52 2.61 2.02 -1.83 -0.71 112.91 119.10 3kow h THR 703 Ca 0.00 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 3kow h THR 703 Cb 0.00 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.35 3kow h THR 703 CO 0.00 0.03 0.12 0.00 0.37 0.00 0.00 175.52 176.04 3kow n GLN 704 N -4.77 3.05 -3.58 6.66 1.13 -1.26 -4.02 117.38 114.59 3kow n GLN 704 Ca 0.34 -3.04 -0.36 0.00 -1.94 0.00 0.00 57.00 52.00 3kow n GLN 704 Cb 1.25 -2.02 -0.07 0.00 0.11 0.00 0.00 30.24 29.51 3kow n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kow s VAL 705 N -3.01 5.31 -0.31 5.09 1.01 -0.27 -5.03 120.40 123.19 3kow s VAL 705 Ca 0.49 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 3kow s VAL 705 Cb 0.40 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 3kow s VAL 705 CO 0.09 0.42 0.14 -0.89 0.00 0.00 0.00 175.10 174.86 3kow s THR 706 N 0.26 4.49 0.13 3.92 2.01 -1.26 -4.04 115.64 121.15 3kow s THR 706 Ca 0.16 -0.46 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3kow s THR 706 Cb -0.13 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3kow s THR 706 CO 0.04 0.07 1.19 -2.65 -0.69 0.00 0.00 174.62 172.59 3kow n PRO 707 N 4.96 -0.32 -0.17 4.92 -0.02 -1.26 -1.09 135.00 142.02 3kow n PRO 707 Ca -0.14 1.17 -0.08 0.00 -2.02 0.00 0.00 63.50 62.44 3kow n PRO 707 Cb 0.49 -1.72 0.01 0.00 -0.02 0.00 0.00 33.50 32.26 3kow n PRO 707 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kow h GLU 708 N 0.00 0.69 -0.86 -0.52 3.07 -1.95 -0.95 114.58 114.06 3kow h GLU 708 Ca 0.14 -0.08 0.08 0.00 -0.50 0.00 0.00 59.36 59.00 3kow h GLU 708 Cb 0.33 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 3kow h GLU 708 CO -0.73 0.54 0.56 0.28 -1.40 0.00 0.00 179.01 178.26 3kow h VAL 709 N 0.65 1.01 -0.07 3.13 2.07 -1.54 -1.97 116.25 119.53 3kow h VAL 709 Ca 0.17 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3kow h VAL 709 Cb 0.05 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3kow h VAL 709 CO -0.03 0.16 -0.53 0.00 0.02 0.00 0.00 177.57 177.20 3kow h ALA 710 N 1.55 0.98 0.00 1.67 0.00 -0.35 -2.79 119.26 120.33 3kow h ALA 710 Ca 0.38 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3kow h ALA 710 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kow h ALA 710 CO -0.15 0.67 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 3kow h VAL 711 N 0.15 0.65 -0.02 0.00 2.07 -0.55 -1.81 116.25 116.74 3kow h VAL 711 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kow h VAL 711 Cb 0.98 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3kow h VAL 711 CO 0.08 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.15 3kow n LYS 712 N -3.59 1.17 0.08 1.57 5.02 -1.04 -2.68 118.16 118.69 3kow n LYS 712 Ca -0.01 -0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.14 3kow n LYS 712 Cb 0.33 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3kow n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kow n GLN 713 N -0.65 0.62 0.00 1.97 1.13 -0.68 -4.96 117.38 114.80 3kow n GLN 713 Ca 0.20 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3kow n GLN 713 Cb 0.16 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.73 3kow n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kow n GLY 714 N 1.20 1.46 3.71 1.08 0.00 -1.09 -4.59 105.19 106.96 3kow n GLY 714 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3kow n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kow s VAL 715 N -2.00 4.31 0.47 1.61 -7.23 -1.24 -4.82 120.40 111.51 3kow s VAL 715 Ca 0.00 -0.54 0.18 0.00 -1.81 0.00 0.00 61.98 59.81 3kow s VAL 715 Cb 0.00 -2.93 0.24 0.00 0.56 0.00 0.00 36.38 34.24 3kow s VAL 715 CO 0.00 0.37 2.06 0.44 -0.31 0.00 0.00 175.10 177.67 3kow h ASP 716 N 4.30 0.00 -5.00 4.85 3.32 -1.42 -3.38 116.42 119.09 3kow h ASP 716 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3kow h ASP 716 Cb 1.18 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 3kow h ASP 716 CO 0.58 0.12 0.14 0.00 -1.72 0.00 0.00 179.24 178.37 3kow s ALA 717 N -4.65 -1.64 0.29 3.45 0.00 -1.22 -4.94 121.76 113.04 3kow s ALA 717 Ca -0.04 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.11 3kow s ALA 717 Cb 0.15 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3kow s ALA 717 CO 0.66 -0.42 -0.10 0.20 0.00 0.00 0.00 175.76 176.10 3kow s GLY 718 N -1.45 1.86 -0.05 0.00 0.00 -1.25 -1.36 107.32 105.07 3kow s GLY 718 Ca -0.09 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.77 3kow s GLY 718 CO 0.06 -1.89 0.10 -1.36 0.00 0.00 0.00 173.10 170.02 3kow s PHE 719 N -2.46 -0.10 0.00 1.90 0.08 -0.24 -4.55 117.98 112.61 3kow s PHE 719 Ca 0.31 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3kow s PHE 719 Cb -0.04 -0.11 0.00 0.00 -0.57 0.00 0.00 43.02 42.30 3kow s PHE 719 CO 0.17 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.58 3kow n GLY 720 N 4.02 5.35 3.52 4.36 0.00 -1.26 -2.09 105.19 119.09 3kow n GLY 720 Ca -0.25 -2.01 -0.51 0.00 0.00 0.00 0.00 46.02 43.25 3kow n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kow n ARG 721 N 0.00 0.64 -3.10 1.61 1.74 -1.26 -2.96 116.66 113.33 3kow n ARG 721 Ca 0.00 0.23 -0.14 0.00 -0.77 0.00 0.00 57.85 57.17 3kow n ARG 721 Cb 0.00 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 29.88 3kow n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kow n GLY 722 N 1.88 -0.13 3.93 -0.13 0.00 -1.26 -5.05 105.19 104.43 3kow n GLY 722 Ca 0.17 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3kow n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kow s SER 723 N -3.76 6.21 0.04 1.61 0.01 -1.16 -5.13 113.70 111.52 3kow s SER 723 Ca 0.12 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.45 3kow s SER 723 Cb -0.05 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 3kow s SER 723 CO 0.52 0.01 -0.00 -0.54 0.41 0.00 0.00 173.24 173.64 3kow s LYS 724 N -3.51 0.50 0.31 12.44 3.01 -1.26 -4.88 119.74 126.35 3kow s LYS 724 Ca 0.34 -0.89 0.17 0.00 -1.01 0.00 0.00 55.97 54.57 3kow s LYS 724 Cb -0.10 0.18 1.10 0.00 -1.01 0.00 0.00 37.83 38.00 3kow s LYS 724 CO 0.28 -0.10 1.32 0.41 0.51 0.00 0.00 175.35 177.78 3kow n GLY 725 N 0.80 -0.66 0.21 -3.33 0.00 -1.21 0.63 105.19 101.63 3kow n GLY 725 Ca -0.19 0.69 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 3kow n GLY 725 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kow h ILE 726 N 0.00 0.73 -0.83 -0.61 6.09 -1.90 0.87 117.51 121.86 3kow h ILE 726 Ca 0.70 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 64.06 3kow h ILE 726 Cb 1.84 0.41 -0.04 0.00 0.47 0.00 0.00 36.82 39.49 3kow h ILE 726 CO -0.65 0.05 0.39 0.45 -3.07 0.00 0.00 178.15 175.32 3kow h HIS 727 N 0.30 1.20 -0.07 2.19 3.86 -0.20 -0.16 115.15 122.26 3kow h HIS 727 Ca 0.28 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3kow h HIS 727 Cb 0.37 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3kow h HIS 727 CO -0.21 0.87 -0.35 0.28 0.86 0.00 0.00 177.93 179.38 3kow h VAL 728 N 1.18 1.42 -0.80 2.45 2.07 -0.95 -1.34 116.25 120.29 3kow h VAL 728 Ca 0.28 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 3kow h VAL 728 Cb 0.13 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3kow h VAL 728 CO -0.03 0.51 0.31 0.00 0.02 0.00 0.00 177.57 178.38 3kow h ALA 729 N 0.43 1.04 -0.14 1.67 0.00 0.70 -0.70 119.26 122.26 3kow h ALA 729 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kow h ALA 729 Cb 1.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kow h ALA 729 CO 0.07 0.67 0.08 1.15 0.00 0.00 0.00 179.25 181.22 3kow h THR 730 N 1.17 1.08 -0.31 0.00 2.02 -0.98 -0.57 112.91 115.32 3kow h THR 730 Ca 0.27 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 3kow h THR 730 Cb 0.22 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3kow h THR 730 CO -0.02 0.08 0.12 0.15 0.37 0.00 0.00 175.52 176.21 3kow h PHE 731 N 0.14 0.43 -0.15 3.16 3.57 -0.98 -0.18 116.94 122.92 3kow h PHE 731 Ca 0.05 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 3kow h PHE 731 Cb 0.05 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3kow h PHE 731 CO -0.05 0.35 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.64 3kow h LEU 732 N 0.43 0.68 0.01 0.59 3.38 -0.56 -0.40 115.31 119.45 3kow h LEU 732 Ca 0.11 -0.41 -0.23 0.00 0.09 0.00 0.00 57.88 57.43 3kow h LEU 732 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3kow h LEU 732 CO -0.01 1.17 -1.19 -0.37 0.09 0.00 0.00 178.44 178.12 3kow h VAL 733 N 0.43 1.48 0.39 1.22 -1.51 -0.81 -2.86 116.25 114.59 3kow h VAL 733 Ca -0.02 -3.23 -0.02 0.00 -1.23 0.00 0.00 66.70 62.21 3kow h VAL 733 Cb 1.25 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 33.16 3kow h VAL 733 CO 0.13 0.85 -0.19 0.11 -1.23 0.00 0.00 177.57 177.24 3kow h LYS 734 N 0.00 -0.50 -0.81 5.19 1.57 -1.05 -3.13 116.57 117.84 3kow h LYS 734 Ca -0.09 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3kow h LYS 734 Cb 1.84 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 34.20 3kow h LYS 734 CO 0.12 -0.25 0.46 -0.22 -0.57 0.00 0.00 179.45 178.99 3kow h LYS 735 N -1.08 0.76 -0.94 3.15 1.63 -1.22 -1.37 116.57 117.51 3kow h LYS 735 Ca -0.05 -0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.79 3kow h LYS 735 Cb 0.48 -0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.87 3kow h LYS 735 CO 0.09 0.51 0.61 0.07 -3.45 0.00 0.00 179.45 177.27 3kow h ARG 736 N 0.79 0.98 0.05 1.90 0.11 -1.62 -2.75 114.38 113.83 3kow h ARG 736 Ca 0.38 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.40 3kow h ARG 736 Cb 0.33 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3kow h ARG 736 CO -0.23 0.65 -0.02 0.00 0.10 0.00 0.00 179.97 180.46 3kow h ARG 737 N 1.01 -0.06 0.00 0.08 3.08 -1.18 -3.23 114.38 114.07 3kow h ARG 737 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3kow h ARG 737 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3kow h ARG 737 CO -0.19 -0.02 0.00 -1.91 -1.07 0.00 0.00 179.97 176.79 3kow n GLU 738 N -5.11 0.00 0.00 0.04 2.13 -1.04 -5.15 120.64 111.52 3kow n GLU 738 Ca -0.08 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3kow n GLU 738 Cb 0.07 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 30.81 3kow n GLU 738 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39