#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koy n GLN 6 N 0.00 0.02 -0.92 1.96 6.02 -1.26 -5.16 117.38 118.04 3koy n GLN 6 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3koy n GLN 6 Cb 0.00 0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.42 3koy n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3koy n LEU 7 N 0.00 -1.50 -3.87 1.08 4.77 -1.26 -5.04 117.00 111.18 3koy n LEU 7 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3koy n LEU 7 Cb 0.07 -0.75 -0.15 0.00 -2.33 0.00 0.00 43.42 40.26 3koy n LEU 7 CO 0.02 0.00 -0.38 -0.13 -1.33 0.00 0.00 177.39 175.57 3koy s ARG 8 N -1.31 0.24 0.41 3.23 0.52 -1.26 -5.00 118.95 115.79 3koy s ARG 8 Ca 0.00 -0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.27 3koy s ARG 8 Cb 0.00 -0.33 0.87 0.00 0.52 0.00 0.00 34.95 36.01 3koy s ARG 8 CO 0.00 -0.04 2.06 -0.39 0.02 0.00 0.00 175.30 176.95 3koy h VAL 9 N 5.64 1.10 -0.47 3.52 -1.51 -2.00 -0.69 116.25 121.84 3koy h VAL 9 Ca -0.34 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3koy h VAL 9 Cb 1.17 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3koy h VAL 9 CO 0.49 0.10 0.00 -0.46 -1.23 0.00 0.00 177.57 176.47 3koy n ASN 10 N -4.47 3.82 -3.96 4.19 6.94 -1.26 -4.85 115.26 115.67 3koy n ASN 10 Ca 0.03 -2.40 -0.28 0.00 -0.02 0.00 0.00 54.58 51.91 3koy n ASN 10 Cb 0.06 -0.52 -0.17 0.00 -2.36 0.00 0.00 39.78 36.79 3koy n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3koy s GLU 11 N -1.87 1.91 0.44 -3.83 2.02 -0.27 -5.12 118.70 111.98 3koy s GLU 11 Ca 0.38 -0.41 -0.25 0.00 0.02 0.00 0.00 54.97 54.72 3koy s GLU 11 Cb 0.26 -1.84 -0.09 0.00 0.10 0.00 0.00 34.13 32.56 3koy s GLU 11 CO 0.17 -0.25 1.31 1.63 0.02 0.00 0.00 175.26 178.14 3koy n LYS 12 N 4.84 1.97 -1.57 1.61 5.02 -1.26 -4.50 118.16 124.26 3koy n LYS 12 Ca -0.15 0.70 -0.52 0.00 -2.02 0.00 0.00 58.31 56.33 3koy n LYS 12 Cb 0.50 -2.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.00 3koy n LYS 12 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3koy n LEU 13 N -0.02 1.36 -4.42 -0.35 4.77 -1.26 -4.93 117.00 112.15 3koy n LEU 13 Ca 0.07 1.13 -0.44 0.00 -0.03 0.00 0.00 56.01 56.73 3koy n LEU 13 Cb 0.41 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 3koy n LEU 13 CO 0.58 -1.26 0.78 -0.62 -1.33 0.00 0.00 177.39 175.54 3koy s ASP 14 N 0.25 6.54 0.09 -1.43 2.15 -1.26 -4.84 116.67 118.17 3koy s ASP 14 Ca 0.81 -1.95 -0.21 0.00 0.43 0.00 0.00 52.55 51.63 3koy s ASP 14 Cb -0.96 -2.35 -0.11 0.00 -0.30 0.00 0.00 42.92 39.20 3koy s ASP 14 CO 0.50 -1.03 1.67 0.58 -0.17 0.00 0.00 175.17 176.72 3koy h VAL 15 N 5.68 1.11 -0.90 1.11 2.07 -1.95 -0.41 116.25 122.96 3koy h VAL 15 Ca 0.04 -0.31 0.24 0.00 0.82 0.00 0.00 66.70 67.48 3koy h VAL 15 Cb 1.04 1.08 -0.13 0.00 -1.52 0.00 0.00 31.29 31.75 3koy h VAL 15 CO 1.05 0.10 0.35 -0.08 0.02 0.00 0.00 177.57 179.01 3koy h GLU 16 N 0.10 0.30 -0.04 1.57 4.81 -1.99 0.97 114.58 120.30 3koy h GLU 16 Ca 0.05 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 3koy h GLU 16 Cb 0.10 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3koy h GLU 16 CO -0.01 0.20 -0.95 -0.97 -0.73 0.00 0.00 179.01 176.55 3koy h ASN 17 N 0.31 0.84 -0.90 1.04 -1.24 -1.82 -3.22 115.58 110.59 3koy h ASN 17 Ca 0.58 -0.64 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 3koy h ASN 17 Cb 1.16 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.91 3koy h ASN 17 CO -0.59 1.44 0.49 0.40 -1.29 0.00 0.00 177.43 177.88 3koy h ILE 18 N 0.40 1.26 0.00 2.57 2.04 0.71 -2.11 117.51 122.38 3koy h ILE 18 Ca -0.10 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3koy h ILE 18 Cb 1.59 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3koy h ILE 18 CO 0.18 0.29 -0.00 -0.07 0.00 0.00 0.00 178.15 178.55 3koy h LEU 19 N 1.25 0.00 -9.61 1.44 3.38 -0.93 -3.42 115.31 107.43 3koy h LEU 19 Ca 0.32 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.76 3koy h LEU 19 Cb 0.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.80 3koy h LEU 19 CO -0.05 0.00 0.66 -0.54 0.09 0.00 0.00 178.44 178.60 3koy s LYS 20 N -3.94 4.37 -0.33 1.13 1.02 -0.80 -3.84 119.74 117.36 3koy s LYS 20 Ca -0.02 2.02 0.00 0.00 0.02 0.00 0.00 55.97 57.99 3koy s LYS 20 Cb 0.11 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3koy s LYS 20 CO 0.47 -0.31 0.00 -0.25 -0.92 0.00 0.00 175.35 174.34 3koy n ASP 21 N 3.25 -3.65 -0.35 2.83 8.00 -1.26 -4.91 116.55 120.46 3koy n ASP 21 Ca 0.08 0.08 0.28 0.00 0.71 0.00 0.00 54.79 55.94 3koy n ASP 21 Cb 0.43 -1.42 0.57 0.00 -0.02 0.00 0.00 41.12 40.68 3koy n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3koy h LEU 22 N 0.00 0.34 -1.35 0.64 3.38 -1.81 0.22 115.31 116.73 3koy h LEU 22 Ca -0.06 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3koy h LEU 22 Cb 0.29 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3koy h LEU 22 CO 0.09 0.01 0.45 -2.24 0.09 0.00 0.00 178.44 176.84 3koy h ASP 23 N 0.27 0.74 -0.28 -0.43 2.03 -1.92 -1.27 116.42 115.56 3koy h ASP 23 Ca 0.65 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 3koy h ASP 23 Cb 1.87 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 3koy h ASP 23 CO -0.29 0.52 0.00 0.29 -1.03 0.00 0.00 179.24 178.73 3koy n LYS 24 N -4.45 2.14 -3.37 4.15 5.02 0.78 -4.93 118.16 117.51 3koy n LYS 24 Ca 0.08 -1.21 -0.38 0.00 -2.02 0.00 0.00 58.31 54.77 3koy n LYS 24 Cb 0.08 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3koy n LYS 24 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3koy s TYR 25 N -1.65 3.73 -0.02 2.13 5.04 -0.48 -5.08 117.35 121.01 3koy s TYR 25 Ca 0.22 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3koy s TYR 25 Cb 0.14 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 40.04 3koy s TYR 25 CO 0.11 0.54 0.01 0.99 -1.34 0.00 0.00 175.55 175.85 3koy s THR 26 N -0.79 0.07 0.20 4.34 2.01 -1.26 -5.09 115.64 115.12 3koy s THR 26 Ca 0.27 0.08 -0.33 0.00 0.31 0.00 0.00 61.69 62.02 3koy s THR 26 Cb -0.18 -0.14 -0.13 0.00 0.01 0.00 0.00 72.50 72.06 3koy s THR 26 CO 0.15 0.08 1.59 -2.65 -0.69 0.00 0.00 174.62 173.10 3koy n PRO 27 N 3.76 2.34 0.19 4.92 -0.02 -1.26 -4.89 135.00 140.04 3koy n PRO 27 Ca -0.22 0.84 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 3koy n PRO 27 Cb 0.53 -2.61 0.62 0.00 -0.02 0.00 0.00 33.50 32.02 3koy n PRO 27 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3koy h LYS 28 N 5.73 0.00 -1.56 -0.52 1.57 -1.96 -3.46 116.57 116.37 3koy h LYS 28 Ca -0.45 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.50 3koy h LYS 28 Cb 1.24 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.34 3koy h LYS 28 CO 0.87 0.00 0.70 -0.98 -0.57 0.00 0.00 179.45 179.47 3koy s ARG 29 N -3.51 0.44 0.30 3.15 1.70 -1.26 -5.18 118.95 114.59 3koy s ARG 29 Ca 0.02 -0.03 0.10 0.00 -0.47 0.00 0.00 55.73 55.34 3koy s ARG 29 Cb 0.09 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 3koy s ARG 29 CO 0.41 -0.17 -0.02 1.03 -1.08 0.00 0.00 175.30 175.46 3koy s ARG 30 N -1.83 2.11 0.00 3.89 0.52 -1.26 -4.78 118.95 117.60 3koy s ARG 30 Ca 0.05 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 3koy s ARG 30 Cb -0.01 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3koy s ARG 30 CO -0.04 0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.95 3koy n GLY 31 N -0.88 -0.96 3.89 -3.53 0.00 -1.13 -4.98 105.19 97.60 3koy n GLY 31 Ca -0.05 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 3koy n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3koy s TRP 32 N -1.89 3.52 -0.05 1.61 -0.11 -1.05 -4.51 118.94 116.46 3koy s TRP 32 Ca 0.00 0.59 0.05 0.00 1.22 0.00 0.00 56.10 57.96 3koy s TRP 32 Cb 0.00 -2.02 -0.00 0.00 -1.50 0.00 0.00 33.47 29.94 3koy s TRP 32 CO 0.00 0.50 -0.20 0.95 -4.62 0.00 0.00 176.95 173.58 3koy s THR 33 N -1.52 1.66 0.15 5.86 -4.23 -1.26 -5.02 115.64 111.28 3koy s THR 33 Ca 0.36 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 3koy s THR 33 Cb -0.13 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 3koy s THR 33 CO 0.22 0.47 0.37 0.26 -0.54 0.00 0.00 174.62 175.39 3koy s TRP 34 N 0.03 3.48 0.51 3.99 0.52 -1.26 -4.91 118.94 121.29 3koy s TRP 34 Ca -0.05 0.48 -0.22 0.00 0.02 0.00 0.00 56.10 56.33 3koy s TRP 34 Cb -0.13 -1.95 -0.06 0.00 -1.15 0.00 0.00 33.47 30.18 3koy s TRP 34 CO 0.03 0.43 1.23 1.03 0.02 0.00 0.00 176.95 179.70 3koy s ARG 35 N -2.80 3.45 -0.19 4.98 0.52 -1.26 -4.97 118.95 118.68 3koy s ARG 35 Ca 0.40 1.93 -0.15 0.00 -0.52 0.00 0.00 55.73 57.39 3koy s ARG 35 Cb -0.12 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3koy s ARG 35 CO 0.26 -0.85 0.35 -1.14 0.02 0.00 0.00 175.30 173.95 3koy s GLN 36 N -2.85 4.21 0.51 3.54 2.00 -1.26 -5.03 119.66 120.78 3koy s GLN 36 Ca 0.68 0.15 -0.23 0.00 -2.00 0.00 0.00 55.36 53.97 3koy s GLN 36 Cb -0.33 -3.50 -0.07 0.00 0.80 0.00 0.00 33.01 29.92 3koy s GLN 36 CO 0.39 0.07 1.27 -2.30 -0.50 0.00 0.00 175.29 174.22 3koy n PRO 37 N 4.12 1.66 -3.79 1.67 -0.02 -1.26 -1.77 135.00 135.62 3koy n PRO 37 Ca -0.10 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 3koy n PRO 37 Cb 0.51 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 3koy n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3koy s ALA 38 N -1.29 2.20 0.43 3.55 0.00 0.02 -4.57 121.76 122.09 3koy s ALA 38 Ca 0.69 -2.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.01 3koy s ALA 38 Cb -0.45 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 3koy s ALA 38 CO 0.52 -1.88 1.44 -1.21 0.00 0.00 0.00 175.76 174.63 3koy s GLU 39 N 0.77 3.82 -0.68 0.00 0.41 -1.26 -3.60 118.70 118.16 3koy s GLU 39 Ca 0.14 2.45 -0.15 0.00 -0.41 0.00 0.00 54.97 57.00 3koy s GLU 39 Cb -0.22 -2.75 0.02 0.00 -1.78 0.00 0.00 34.13 29.41 3koy s GLU 39 CO -0.09 -0.72 0.29 0.09 -0.49 0.00 0.00 175.26 174.34 3koy n ASN 40 N 0.01 -1.67 -4.67 -0.19 3.02 -1.20 -4.81 115.26 105.76 3koy n ASN 40 Ca 0.04 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3koy n ASN 40 Cb 0.41 -0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 3koy n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3koy s LEU 41 N -6.15 4.16 -0.13 3.41 2.96 -1.19 -4.79 118.68 116.95 3koy s LEU 41 Ca 0.22 1.20 -0.26 0.00 -0.22 0.00 0.00 54.13 55.06 3koy s LEU 41 Cb -0.12 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 3koy s LEU 41 CO 0.52 -0.44 0.86 -1.58 -1.32 0.00 0.00 176.35 174.39 3koy s GLN 42 N 2.30 4.36 -0.05 1.98 0.74 -1.26 -2.52 119.66 125.21 3koy s GLN 42 Ca 0.39 1.10 0.02 0.00 0.05 0.00 0.00 55.36 56.91 3koy s GLN 42 Cb -0.16 -3.54 0.02 0.00 1.10 0.00 0.00 33.01 30.42 3koy s GLN 42 CO 0.12 -0.25 -0.07 -1.64 -0.55 0.00 0.00 175.29 172.90 3koy s MET 43 N 1.84 1.10 0.89 1.67 -1.94 -0.81 -5.02 119.30 117.04 3koy s MET 43 Ca 0.41 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.17 3koy s MET 43 Cb -0.17 -1.01 0.00 0.00 2.01 0.00 0.00 34.83 35.66 3koy s MET 43 CO 0.15 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 3koy n GLY 44 N 3.86 2.22 0.11 -0.03 0.00 -1.26 -1.49 105.19 108.59 3koy n GLY 44 Ca -0.24 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3koy n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3koy n PRO 45 N 14.00 0.24 -3.66 1.61 -0.02 -1.26 -4.90 135.00 141.01 3koy n PRO 45 Ca 0.00 0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 3koy n PRO 45 Cb 0.00 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 3koy n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3koy s PHE 46 N -3.14 2.73 0.03 6.00 0.08 -0.56 -5.14 117.98 117.98 3koy s PHE 46 Ca 0.09 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 56.75 3koy s PHE 46 Cb 0.12 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3koy s PHE 46 CO 0.55 -0.04 -0.20 0.42 -0.10 0.00 0.00 175.22 175.85 3koy s ILE 47 N -2.45 1.62 -0.04 0.64 1.01 -1.26 -1.92 121.20 118.79 3koy s ILE 47 Ca 0.46 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 60.07 3koy s ILE 47 Cb -0.03 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3koy s ILE 47 CO 0.27 0.26 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 3koy s TYR 48 N -0.72 2.46 0.03 3.97 2.02 -1.05 -4.96 117.35 119.12 3koy s TYR 48 Ca 0.07 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 3koy s TYR 48 Cb -0.08 -1.57 -0.24 0.00 -0.40 0.00 0.00 41.96 39.67 3koy s TYR 48 CO 0.01 -0.04 0.95 0.87 -1.57 0.00 0.00 175.55 175.77 3koy h LYS 49 N 5.64 0.07 -0.98 -0.62 1.79 -1.92 -3.14 116.57 117.42 3koy h LYS 49 Ca -0.40 -0.12 -0.47 0.00 -2.18 0.00 0.00 60.65 57.48 3koy h LYS 49 Cb 1.15 0.04 -0.42 0.00 -1.58 0.00 0.00 32.23 31.42 3koy h LYS 49 CO 0.48 0.86 -0.91 -0.25 -1.08 0.00 0.00 179.45 178.55 3koy n ASP 50 N -3.28 3.62 -4.89 0.86 8.00 -1.26 -4.66 116.55 114.94 3koy n ASP 50 Ca -0.10 -3.24 -0.21 0.00 0.71 0.00 0.00 54.79 51.95 3koy n ASP 50 Cb 1.01 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 3koy n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 51 N -3.53 3.87 0.44 2.24 0.00 -1.26 -3.41 121.76 120.10 3koy s ALA 51 Ca 0.41 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3koy s ALA 51 Cb 0.40 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 3koy s ALA 51 CO -0.05 0.09 0.12 -1.54 0.00 0.00 0.00 175.76 174.38 3koy s SER 52 N -3.99 4.23 0.07 0.00 1.04 0.99 -0.80 113.70 115.24 3koy s SER 52 Ca 0.39 -1.27 -0.37 0.00 0.48 0.00 0.00 55.95 55.18 3koy s SER 52 Cb -0.07 -0.22 -0.19 0.00 0.10 0.00 0.00 66.02 65.64 3koy s SER 52 CO 0.27 -0.61 1.00 0.41 0.98 0.00 0.00 173.24 175.29 3koy n THR 53 N -1.21 0.48 -2.20 2.02 -1.04 -0.73 -4.29 114.28 107.31 3koy n THR 53 Ca -0.05 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.53 3koy n THR 53 Cb 0.66 -0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 68.99 3koy n THR 53 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3koy s PRO 54 N -0.19 3.71 0.45 -2.82 0.04 -1.26 -4.68 135.00 130.25 3koy s PRO 54 Ca 0.83 0.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 3koy s PRO 54 Cb -1.13 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 3koy s PRO 54 CO 0.55 -0.39 1.03 -0.51 0.04 0.00 0.00 177.00 177.72 3koy s LEU 55 N -4.68 3.97 0.15 -3.56 1.43 -1.26 -4.97 118.68 109.75 3koy s LEU 55 Ca 0.55 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 3koy s LEU 55 Cb -0.11 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 3koy s LEU 55 CO 0.44 -0.61 1.33 -0.33 0.23 0.00 0.00 176.35 177.41 3koy h GLU 56 N 1.95 0.12 -3.03 1.70 5.08 -1.58 -3.42 114.58 115.40 3koy h GLU 56 Ca -0.49 -0.16 -0.52 0.00 -1.00 0.00 0.00 59.36 57.19 3koy h GLU 56 Cb 1.21 0.05 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 3koy h GLU 56 CO 0.60 0.97 -0.77 -0.80 -1.00 0.00 0.00 179.01 178.02 3koy s ASN 57 N -6.88 3.33 0.34 1.42 0.01 -1.12 -5.01 114.94 107.03 3koy s ASN 57 Ca -0.02 -1.17 0.01 0.00 -0.71 0.00 0.00 52.86 50.97 3koy s ASN 57 Cb 0.10 -0.43 -0.00 0.00 0.41 0.00 0.00 41.25 41.32 3koy s ASN 57 CO 0.83 -0.41 0.04 -1.54 -1.51 0.00 0.00 177.10 174.51 3koy n SER 58 N 5.17 2.25 -3.96 -1.22 3.41 -1.26 -4.61 113.62 113.40 3koy n SER 58 Ca -0.06 -2.62 -0.30 0.00 -0.26 0.00 0.00 58.87 55.64 3koy n SER 58 Cb 0.44 0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 64.70 3koy n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3koy s VAL 59 N -2.48 1.50 0.64 -3.33 1.01 -0.89 -4.99 120.40 111.85 3koy s VAL 59 Ca 0.06 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3koy s VAL 59 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3koy s VAL 59 CO 0.04 0.10 1.07 0.00 0.00 0.00 0.00 175.10 176.31 3koy s ALA 60 N 1.45 2.64 0.45 5.51 0.00 -1.26 -4.71 121.76 125.85 3koy s ALA 60 Ca -0.02 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 3koy s ALA 60 Cb -0.17 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3koy s ALA 60 CO -0.08 -1.06 1.12 1.28 0.00 0.00 0.00 175.76 177.03 3koy n LEU 61 N -2.46 3.49 -0.24 0.00 4.77 -1.26 -4.84 117.00 116.45 3koy n LEU 61 Ca 0.09 1.03 0.03 0.00 -0.03 0.00 0.00 56.01 57.12 3koy n LEU 61 Cb 0.53 -1.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.31 3koy n LEU 61 CO 0.50 -1.16 0.78 -0.65 -1.33 0.00 0.00 177.39 175.52 3koy h PRO 62 N 1.59 0.05 0.00 3.23 0.11 -1.99 0.90 132.00 135.90 3koy h PRO 62 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3koy h PRO 62 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3koy h PRO 62 CO 0.57 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 3koy n SER 63 N -5.40 0.00 0.21 -2.05 7.64 -1.26 -3.06 113.62 109.71 3koy n SER 63 Ca 0.11 -1.24 0.14 0.00 1.01 0.00 0.00 58.87 58.90 3koy n SER 63 Cb 0.41 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.09 3koy n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3koy h ALA 64 N 2.50 1.00 -0.97 -0.43 0.00 -1.12 -3.13 119.26 117.11 3koy h ALA 64 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.17 3koy h ALA 64 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3koy h ALA 64 CO 0.00 0.00 0.66 1.57 0.00 0.00 0.00 179.25 181.48 3koy h LYS 65 N 0.00 0.20 0.00 0.00 2.10 -1.75 0.39 116.57 117.51 3koy h LYS 65 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3koy h LYS 65 Cb 0.65 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3koy h LYS 65 CO 0.00 0.13 0.00 0.66 -2.00 0.00 0.00 179.45 178.24 3koy n TYR 66 N -4.41 0.00 -2.49 0.07 4.01 -1.18 -3.86 117.16 109.30 3koy n TYR 66 Ca 0.21 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 3koy n TYR 66 Cb 0.90 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3koy n TYR 66 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3koy n PHE 67 N -1.49 2.16 -2.88 -0.72 3.72 0.13 -4.95 117.46 113.43 3koy n PHE 67 Ca 0.07 -2.57 -0.19 0.00 -0.05 0.00 0.00 57.45 54.71 3koy n PHE 67 Cb 0.29 -0.26 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3koy n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3koy n GLY 68 N -0.47 -0.34 1.93 1.37 0.00 -1.18 -3.07 105.19 103.44 3koy n GLY 68 Ca 0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3koy n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3koy n ASP 69 N -1.84 -2.51 -4.69 1.61 8.00 -0.60 -4.88 116.55 111.63 3koy n ASP 69 Ca -0.10 0.24 -0.36 0.00 0.71 0.00 0.00 54.79 55.27 3koy n ASP 69 Cb 0.61 -2.40 0.08 0.00 -0.02 0.00 0.00 41.12 39.39 3koy n ASP 69 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3koy n ILE 70 N -2.10 4.00 -3.27 0.53 -5.35 -1.17 -4.76 119.36 107.24 3koy n ILE 70 Ca -0.09 -0.43 -0.25 0.00 -0.27 0.00 0.00 62.75 61.71 3koy n ILE 70 Cb 0.38 -1.34 -0.08 0.00 -1.74 0.00 0.00 39.64 36.86 3koy n ILE 70 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3koy n ASP 71 N -1.98 -0.15 -4.77 7.28 2.03 -1.26 -4.57 116.55 113.12 3koy n ASP 71 Ca 0.15 -2.56 -0.37 0.00 0.52 0.00 0.00 54.79 52.53 3koy n ASP 71 Cb 0.49 -0.57 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 3koy n ASP 71 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3koy s PRO 72 N -0.63 3.99 -0.13 -0.67 0.04 -1.26 -4.66 135.00 131.68 3koy s PRO 72 Ca 0.34 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 3koy s PRO 72 Cb 0.11 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3koy s PRO 72 CO -0.15 -0.33 -0.10 -0.65 0.04 0.00 0.00 177.00 175.81 3koy s GLN 73 N -2.50 3.42 0.89 4.56 -1.52 -1.26 -5.01 119.66 118.24 3koy s GLN 73 Ca 0.60 -0.63 -0.12 0.00 -1.95 0.00 0.00 55.36 53.26 3koy s GLN 73 Cb -0.27 -2.71 0.13 0.00 -0.22 0.00 0.00 33.01 29.94 3koy s GLN 73 CO 0.33 0.25 1.10 -1.25 -0.25 0.00 0.00 175.29 175.47 3koy s PRO 74 N 0.27 1.29 0.19 2.91 0.04 -1.26 -0.01 135.00 138.43 3koy s PRO 74 Ca -0.07 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 3koy s PRO 74 Cb -0.15 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.71 3koy s PRO 74 CO 0.05 -2.20 1.80 -0.07 0.04 0.00 0.00 177.00 176.62 3koy h LEU 75 N -1.51 0.47-10.08 -3.56 3.38 -1.86 -3.39 115.31 98.75 3koy h LEU 75 Ca -0.50 0.02 -0.51 0.00 0.09 0.00 0.00 57.88 56.98 3koy h LEU 75 Cb 1.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3koy h LEU 75 CO 0.56 0.32 0.01 -2.16 0.09 0.00 0.00 178.44 177.26 3koy s PRO 76 N -6.13 3.79 0.34 1.13 0.05 -1.26 -4.53 135.00 128.39 3koy s PRO 76 Ca -0.13 0.35 -0.28 0.00 0.05 0.00 0.00 61.00 60.99 3koy s PRO 76 Cb 0.14 -2.51 -0.10 0.00 0.05 0.00 0.00 34.50 32.08 3koy s PRO 76 CO 0.74 0.13 1.35 0.08 0.05 0.00 0.00 177.00 179.35 3koy s VAL 77 N -2.13 2.56 -0.21 -0.36 1.01 -1.15 -4.73 120.40 115.39 3koy s VAL 77 Ca 0.49 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 3koy s VAL 77 Cb -0.11 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3koy s VAL 77 CO 0.27 0.13 -0.14 -0.63 0.00 0.00 0.00 175.10 174.73 3koy s ILE 78 N -1.14 2.45 0.39 2.22 -1.09 -1.26 -0.16 121.20 122.62 3koy s ILE 78 Ca 0.50 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 3koy s ILE 78 Cb -0.41 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3koy s ILE 78 CO 0.55 0.38 0.63 -0.89 -1.23 0.00 0.00 174.94 174.38 3koy s THR 79 N 1.30 5.01 -0.16 2.92 2.01 -0.70 -2.46 115.64 123.56 3koy s THR 79 Ca 0.02 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 3koy s THR 79 Cb -0.15 -3.85 0.06 0.00 0.01 0.00 0.00 72.50 68.56 3koy s THR 79 CO -0.09 -0.65 0.58 0.28 -0.69 0.00 0.00 174.62 174.05 3koy s THR 80 N -2.46 0.01 -0.46 -0.82 -1.32 -0.39 -3.42 115.64 106.78 3koy s THR 80 Ca 0.42 -0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 60.73 3koy s THR 80 Cb -0.10 -0.83 0.09 0.00 -1.51 0.00 0.00 72.50 70.15 3koy s THR 80 CO 0.39 -0.03 0.34 -1.61 -2.21 0.00 0.00 174.62 171.50 3koy s GLU 81 N -0.18 2.74 -0.19 7.08 2.02 -1.26 -1.56 118.70 127.34 3koy s GLU 81 Ca -0.04 -1.52 -0.05 0.00 0.02 0.00 0.00 54.97 53.39 3koy s GLU 81 Cb -0.03 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 3koy s GLU 81 CO 0.03 -1.07 -0.00 0.42 0.02 0.00 0.00 175.26 174.66 3koy s ILE 82 N 1.50 3.98 -0.30 -1.63 1.01 -1.05 -4.98 121.20 119.72 3koy s ILE 82 Ca 0.04 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 3koy s ILE 82 Cb -0.25 -2.79 0.18 0.00 0.01 0.00 0.00 42.46 39.61 3koy s ILE 82 CO 0.03 0.44 1.19 0.00 0.00 0.00 0.00 174.94 176.60 3koy s ALA 83 N 0.87 -4.21 -0.73 9.38 0.00 -1.26 -4.25 121.76 121.57 3koy s ALA 83 Ca 0.01 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.42 3koy s ALA 83 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3koy s ALA 83 CO 0.02 -1.87 0.54 -1.13 0.00 0.00 0.00 175.76 173.32 3koy n SER 84 N 5.24 0.97 0.00 0.00 3.41 -1.26 -4.64 113.62 117.34 3koy n SER 84 Ca 0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3koy n SER 84 Cb 0.57 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 3koy n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3koy n GLY 85 N 0.93 2.84 3.21 5.00 0.00 -1.25 -4.75 105.19 111.17 3koy n GLY 85 Ca 0.03 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 3koy n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3koy s ARG 86 N 0.00 3.16 0.54 1.61 0.52 -1.26 -1.75 118.95 121.77 3koy s ARG 86 Ca 0.00 -2.62 0.41 0.00 -0.52 0.00 0.00 55.73 53.00 3koy s ARG 86 Cb 0.00 -4.09 1.61 0.00 0.52 0.00 0.00 34.95 32.99 3koy s ARG 86 CO 0.00 -1.24 1.71 0.27 0.02 0.00 0.00 175.30 176.07 3koy h PHE 87 N 7.21 0.04 -0.29 -0.53 -5.15 -1.94 -1.55 116.94 114.74 3koy h PHE 87 Ca 0.06 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.68 3koy h PHE 87 Cb 0.97 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 37.12 3koy h PHE 87 CO 0.85 -0.01 -0.43 1.05 -2.00 0.00 0.00 178.31 177.77 3koy h GLU 88 N 0.02 0.74 -0.14 6.09 9.09 -1.99 -1.99 114.58 126.40 3koy h GLU 88 Ca 0.72 -0.40 -0.13 0.00 0.05 0.00 0.00 59.36 59.60 3koy h GLU 88 Cb 2.83 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 29.94 3koy h GLU 88 CO -0.03 1.02 -0.47 -0.44 0.05 0.00 0.00 179.01 179.14 3koy h ASP 89 N 0.59 0.37 0.05 3.06 3.32 -1.60 -3.24 116.42 118.97 3koy h ASP 89 Ca 0.04 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3koy h ASP 89 Cb 0.99 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3koy h ASP 89 CO 0.09 0.79 -0.05 0.44 -1.72 0.00 0.00 179.24 178.79 3koy h ASP 90 N 0.28 0.02 0.37 6.45 3.32 -1.18 -0.80 116.42 124.88 3koy h ASP 90 Ca 0.02 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3koy h ASP 90 Cb 0.94 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3koy h ASP 90 CO 0.08 0.07 -0.03 0.40 -1.72 0.00 0.00 179.24 178.05 3koy h ILE 91 N 0.02 0.15 0.05 0.35 2.04 -1.54 -0.19 117.51 118.38 3koy h ILE 91 Ca 0.00 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3koy h ILE 91 Cb 0.11 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3koy h ILE 91 CO 0.01 0.03 -0.02 0.03 0.00 0.00 0.00 178.15 178.19 3koy h ARG 92 N 0.00 -0.07 -0.92 2.37 3.08 -1.35 -2.85 114.38 114.64 3koy h ARG 92 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3koy h ARG 92 Cb 0.22 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 3koy h ARG 92 CO 0.00 0.49 0.59 -0.09 -1.07 0.00 0.00 179.97 179.89 3koy h ARG 93 N -0.94 0.56 -0.39 0.04 2.43 -1.52 0.21 114.38 114.78 3koy h ARG 93 Ca -0.01 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3koy h ARG 93 Cb 0.58 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3koy h ARG 93 CO 0.01 0.37 0.11 0.52 -1.51 0.00 0.00 179.97 179.47 3koy h MET 94 N 0.58 0.24 -0.43 0.20 2.86 -1.07 0.38 114.93 117.69 3koy h MET 94 Ca 0.49 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 3koy h MET 94 Cb 0.96 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3koy h MET 94 CO -0.23 0.16 0.20 -0.09 1.06 0.00 0.00 176.91 178.01 3koy h ARG 95 N 0.25 0.63 -0.84 1.72 2.43 -0.37 -1.44 114.38 116.77 3koy h ARG 95 Ca 0.18 -0.10 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 3koy h ARG 95 Cb 0.19 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.54 3koy h ARG 95 CO -0.21 0.55 0.44 0.52 -1.51 0.00 0.00 179.97 179.76 3koy h MET 96 N 0.56 0.62 -0.25 0.20 2.86 -0.53 -2.75 114.93 115.65 3koy h MET 96 Ca 0.15 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 3koy h MET 96 Cb 0.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3koy h MET 96 CO -0.02 0.41 -0.44 0.00 1.06 0.00 0.00 176.91 177.93 3koy h ALA 97 N 1.54 0.39 -0.77 6.32 0.00 -0.37 -2.81 119.26 123.56 3koy h ALA 97 Ca 0.45 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3koy h ALA 97 Cb 0.60 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3koy h ALA 97 CO -0.34 0.52 0.51 0.00 0.00 0.00 0.00 179.25 179.94 3koy h ALA 98 N 0.65 2.03 -0.14 0.00 0.00 -1.00 0.39 119.26 121.18 3koy h ALA 98 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3koy h ALA 98 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3koy h ALA 98 CO 0.10 -0.23 -0.74 -1.49 0.00 0.00 0.00 179.25 176.89 3koy h TRP 99 N 0.49 0.91 0.00 0.00 4.06 -1.40 -2.81 115.95 117.19 3koy h TRP 99 Ca 0.37 -0.39 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3koy h TRP 99 Cb 0.77 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 3koy h TRP 99 CO -0.00 1.20 0.00 0.72 -3.56 0.00 0.00 178.44 176.80 3koy n HIS 100 N -3.91 0.00 0.00 0.49 8.25 -0.01 -2.10 115.22 117.94 3koy n HIS 100 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3koy n HIS 100 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 3koy n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 101 N 0.81 1.30 3.68 -1.41 0.00 -0.41 -4.54 105.19 104.62 3koy n GLY 101 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3koy n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 102 N -2.00 3.47 -0.22 4.61 0.00 -0.60 -4.75 121.76 122.27 3koy s ALA 102 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 51.96 52.27 3koy s ALA 102 Cb 0.00 -3.33 0.43 0.00 0.00 0.00 0.00 23.12 20.23 3koy s ALA 102 CO 0.00 -0.63 1.20 -0.40 0.00 0.00 0.00 175.76 175.94 3koy n ASP 103 N 5.12 2.54 -3.38 0.00 5.75 -1.03 -4.06 116.55 121.50 3koy n ASP 103 Ca 0.06 -3.66 -0.09 0.00 -0.01 0.00 0.00 54.79 51.09 3koy n ASP 103 Cb 0.49 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 40.04 3koy n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3koy s HIS 104 N -3.12 -0.81 -0.31 2.11 2.46 -1.04 -1.41 115.29 113.16 3koy s HIS 104 Ca 0.41 0.87 -0.06 0.00 0.47 0.00 0.00 55.06 56.75 3koy s HIS 104 Cb 0.38 0.03 0.03 0.00 -0.13 0.00 0.00 32.58 32.89 3koy s HIS 104 CO -0.05 -0.70 0.07 0.42 -2.47 0.00 0.00 174.74 172.02 3koy s ILE 105 N 2.55 3.71 -0.21 0.89 -1.09 0.44 -1.26 121.20 126.23 3koy s ILE 105 Ca 0.12 -0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 57.44 3koy s ILE 105 Cb -0.15 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 3koy s ILE 105 CO -0.15 -0.05 0.19 -0.04 -1.23 0.00 0.00 174.94 173.65 3koy s MET 106 N 1.42 4.17 -0.31 2.79 -1.94 -0.60 -1.38 119.30 123.44 3koy s MET 106 Ca -0.00 -0.15 -0.05 0.00 -1.71 0.00 0.00 55.69 53.78 3koy s MET 106 Cb -0.18 -3.46 0.03 0.00 2.01 0.00 0.00 34.83 33.22 3koy s MET 106 CO 0.02 0.19 0.06 0.08 -0.01 0.00 0.00 175.02 175.36 3koy s VAL 107 N 0.65 3.58 0.22 -6.03 1.01 0.62 -2.54 120.40 117.91 3koy s VAL 107 Ca 0.10 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3koy s VAL 107 Cb -0.12 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3koy s VAL 107 CO 0.02 -0.05 1.01 -0.63 0.00 0.00 0.00 175.10 175.44 3koy s ILE 108 N 1.39 3.95 0.98 2.22 1.01 -1.26 -4.30 121.20 125.19 3koy s ILE 108 Ca -0.01 1.87 -0.13 0.00 0.00 0.00 0.00 60.65 62.38 3koy s ILE 108 Cb -0.19 -4.19 0.18 0.00 0.01 0.00 0.00 42.46 38.27 3koy s ILE 108 CO 0.01 0.41 1.12 -0.13 0.00 0.00 0.00 174.94 176.35 3koy s ARG 109 N -0.98 0.56 0.55 2.79 0.52 -1.26 -1.62 118.95 119.51 3koy s ARG 109 Ca 0.44 0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 55.79 3koy s ARG 109 Cb -0.28 -1.77 -0.06 0.00 0.52 0.00 0.00 34.95 33.37 3koy s ARG 109 CO 0.34 -2.60 1.02 -0.08 0.02 0.00 0.00 175.30 174.01 3koy s THR 110 N -3.15 4.18 -0.44 0.02 -1.32 -0.78 -4.00 115.64 110.16 3koy s THR 110 Ca 0.66 1.04 -0.42 0.00 -1.21 0.00 0.00 61.69 61.76 3koy s THR 110 Cb -0.15 -3.56 -0.17 0.00 -1.51 0.00 0.00 72.50 67.11 3koy s THR 110 CO 0.55 -0.60 2.03 0.00 -2.21 0.00 0.00 174.62 174.38 3koy n ALA 111 N -1.81 0.15 -3.71 11.08 0.00 0.04 -1.28 120.51 124.98 3koy n ALA 111 Ca 0.08 0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 3koy n ALA 111 Cb 0.53 -2.19 0.03 0.00 0.00 0.00 0.00 19.45 17.82 3koy n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 112 N 6.36 -0.71 0.22 0.00 0.00 -1.26 -4.86 105.19 104.94 3koy n GLY 112 Ca 0.45 0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.95 3koy n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3koy h GLN 113 N -1.82 0.00 -1.02 1.61 4.15 -1.54 -2.85 115.11 113.63 3koy h GLN 113 Ca -0.64 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.03 3koy h GLN 113 Cb 1.36 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.95 3koy h GLN 113 CO 0.52 0.00 0.65 0.77 -1.93 0.00 0.00 178.83 178.84 3koy h SER 114 N 0.00 0.50 0.45 -0.69 0.02 -1.85 0.96 113.55 112.94 3koy h SER 114 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3koy h SER 114 Cb 0.61 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3koy h SER 114 CO 0.00 0.11 -0.25 1.41 -1.14 0.00 0.00 176.83 176.96 3koy n HIS 115 N -4.66 0.00 -2.41 3.45 8.25 -1.07 -0.82 115.22 117.96 3koy n HIS 115 Ca 0.25 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3koy n HIS 115 Cb 0.83 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 3koy n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3koy s TYR 116 N -2.70 2.56 -1.44 4.41 1.51 0.33 -4.91 117.35 117.09 3koy s TYR 116 Ca 0.20 0.74 -0.09 0.00 -1.01 0.00 0.00 57.07 56.92 3koy s TYR 116 Cb 0.19 -4.21 0.04 0.00 -0.11 0.00 0.00 41.96 37.87 3koy s TYR 116 CO 0.56 -1.78 2.49 -3.47 -1.11 0.00 0.00 175.55 172.25 3koy n ASP 117 N 8.30 7.30 0.00 2.29 2.03 -1.26 -4.25 116.55 130.96 3koy n ASP 117 Ca 0.15 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.57 3koy n ASP 117 Cb 0.48 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 3koy n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 118 N 2.86 3.91 3.55 0.27 0.00 -1.26 -5.00 105.19 109.52 3koy n GLY 118 Ca 0.63 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3koy n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3koy n LEU 119 N 0.00 2.25 -4.73 0.99 4.77 -1.26 -4.98 117.00 114.04 3koy n LEU 119 Ca 0.00 0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 56.31 3koy n LEU 119 Cb 0.00 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 39.69 3koy n LEU 119 CO 0.00 -2.56 -0.19 0.27 -1.33 0.00 0.00 177.39 173.58 3koy s ILE 120 N -2.01 2.65 -0.01 -0.08 -4.36 -1.26 -5.14 121.20 110.99 3koy s ILE 120 Ca 0.68 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 3koy s ILE 120 Cb -0.31 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.44 3koy s ILE 120 CO 0.56 -0.10 -0.04 -1.61 0.24 0.00 0.00 174.94 173.98 3koy s GLU 121 N -3.87 0.39 0.02 0.37 0.41 -1.26 -4.16 118.70 110.61 3koy s GLU 121 Ca 0.39 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 3koy s GLU 121 Cb 0.00 -0.40 0.00 0.00 -1.78 0.00 0.00 34.13 31.96 3koy s GLU 121 CO 0.22 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 3koy n GLY 122 N 3.14 1.05 2.70 -1.39 0.00 -1.25 -4.58 105.19 104.85 3koy n GLY 122 Ca -0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 3koy n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 123 N 0.00 0.04 -1.57 2.61 -2.24 -1.26 -3.97 114.28 107.89 3koy n THR 123 Ca 0.00 -1.64 -0.33 0.00 -2.27 0.00 0.00 64.05 59.81 3koy n THR 123 Cb 0.00 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 3koy n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3koy s PRO 124 N 0.02 2.52 0.45 -0.78 0.04 -1.25 -3.33 135.00 132.67 3koy s PRO 124 Ca 0.23 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 3koy s PRO 124 Cb 0.36 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.92 3koy s PRO 124 CO -0.07 -1.47 1.23 -1.14 0.04 0.00 0.00 177.00 175.59 3koy s GLN 125 N -4.24 3.77 0.32 4.56 0.74 -1.26 -4.56 119.66 118.99 3koy s GLN 125 Ca 0.67 1.95 -0.08 0.00 0.05 0.00 0.00 55.36 57.95 3koy s GLN 125 Cb -0.21 -2.52 -0.06 0.00 1.10 0.00 0.00 33.01 31.31 3koy s GLN 125 CO 0.45 -0.59 0.62 0.20 -0.55 0.00 0.00 175.29 175.43 3koy s GLY 126 N -1.10 1.97 -0.37 2.59 0.00 -0.71 -4.82 107.32 104.87 3koy s GLY 126 Ca 0.62 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 3koy s GLY 126 CO 0.41 -0.25 0.14 -0.42 0.00 0.00 0.00 173.10 172.98 3koy s ILE 127 N -2.12 3.15 0.00 0.90 -1.09 -1.26 -4.63 121.20 116.14 3koy s ILE 127 Ca 0.47 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 3koy s ILE 127 Cb -0.11 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3koy s ILE 127 CO 0.28 -0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.09 3koy n GLY 128 N 4.58 0.49 0.00 6.18 0.00 -1.26 -0.78 105.19 114.40 3koy n GLY 128 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3koy n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 129 N -3.00 -1.92 3.72 -0.02 0.00 -1.26 -4.70 105.19 98.01 3koy n GLY 129 Ca 0.00 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3koy n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 130 N -2.42 5.34 -0.22 1.61 1.01 -0.64 -3.90 120.40 121.19 3koy s VAL 130 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 3koy s VAL 130 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3koy s VAL 130 CO 0.00 0.40 2.05 -2.84 0.00 0.00 0.00 175.10 174.70 3koy s PRO 131 N 0.49 3.34 -0.29 2.72 0.02 -1.26 -1.86 135.00 138.16 3koy s PRO 131 Ca 0.13 1.92 -0.27 0.00 0.02 0.00 0.00 61.00 62.80 3koy s PRO 131 Cb -0.12 -4.28 0.01 0.00 0.02 0.00 0.00 34.50 30.12 3koy s PRO 131 CO 0.02 -1.86 0.95 0.42 -0.33 0.00 0.00 177.00 176.20 3koy s ILE 132 N 7.32 4.67 -0.01 2.83 -1.09 -1.26 -4.88 121.20 128.79 3koy s ILE 132 Ca 0.92 1.62 -0.09 0.00 -2.23 0.00 0.00 60.65 60.87 3koy s ILE 132 Cb -0.31 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.30 3koy s ILE 132 CO 0.35 -0.29 0.18 0.42 -1.23 0.00 0.00 174.94 174.37 3koy s THR 133 N 3.25 0.07 0.46 2.92 -4.23 -1.26 -4.41 115.64 112.44 3koy s THR 133 Ca 0.40 -0.59 0.28 0.00 -1.18 0.00 0.00 61.69 60.60 3koy s THR 133 Cb -0.14 -0.47 0.48 0.00 1.34 0.00 0.00 72.50 73.71 3koy s THR 133 CO 0.11 -0.32 1.75 -0.09 -0.54 0.00 0.00 174.62 175.53 3koy h ARG 134 N 4.29 0.19 0.41 3.99 2.43 -1.89 0.97 114.38 124.76 3koy h ARG 134 Ca -0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3koy h ARG 134 Cb 1.19 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3koy h ARG 134 CO 0.40 0.12 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.57 3koy h LYS 135 N 0.19 -0.53 -0.56 0.20 3.64 -1.83 -2.33 116.57 115.35 3koy h LYS 135 Ca 0.63 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 60.03 3koy h LYS 135 Cb 2.01 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.93 3koy h LYS 135 CO -0.20 -0.23 0.29 0.37 -2.27 0.00 0.00 179.45 177.41 3koy h GLN 136 N -0.82 0.79 -0.26 1.90 -0.00 -1.06 -2.38 115.11 113.27 3koy h GLN 136 Ca -0.06 -0.10 0.05 0.00 -0.00 0.00 0.00 58.65 58.54 3koy h GLN 136 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.83 3koy h GLN 136 CO 0.09 0.62 -0.02 0.28 0.00 0.00 0.00 178.83 179.80 3koy h VAL 137 N 0.75 0.79 -0.14 2.39 2.07 -0.96 -2.05 116.25 119.10 3koy h VAL 137 Ca 0.19 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3koy h VAL 137 Cb 0.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3koy h VAL 137 CO -0.03 0.01 0.04 0.03 0.02 0.00 0.00 177.57 177.64 3koy h ARG 138 N 0.06 0.10 -0.05 1.57 3.08 -1.12 0.00 114.38 118.02 3koy h ARG 138 Ca 0.13 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3koy h ARG 138 Cb 0.17 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 3koy h ARG 138 CO -0.23 0.07 -0.37 0.00 -1.07 0.00 0.00 179.97 178.37 3koy h ALA 139 N 1.09 -0.53 -0.62 0.04 0.00 -1.20 0.63 119.26 118.67 3koy h ALA 139 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3koy h ALA 139 Cb 0.04 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3koy h ALA 139 CO -0.07 -0.88 0.21 1.96 0.00 0.00 0.00 179.25 180.46 3koy h GLN 140 N -0.49 0.96 -0.11 0.00 4.20 -1.11 -1.68 115.11 116.87 3koy h GLN 140 Ca 0.07 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3koy h GLN 140 Cb 0.60 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3koy h GLN 140 CO -0.33 0.84 -0.29 -0.09 -0.67 0.00 0.00 178.83 178.29 3koy h ARG 141 N 0.88 0.20 -0.02 1.46 9.65 -0.60 0.25 114.38 126.21 3koy h ARG 141 Ca 0.20 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3koy h ARG 141 Cb 0.27 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3koy h ARG 141 CO -0.01 0.48 0.01 -0.22 2.80 0.00 0.00 179.97 183.03 3koy h LYS 142 N 0.18 0.03 -0.46 0.20 3.64 -0.51 -0.94 116.57 118.72 3koy h LYS 142 Ca 0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3koy h LYS 142 Cb 0.61 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3koy h LYS 142 CO 0.04 0.19 0.09 0.00 -2.27 0.00 0.00 179.45 177.51 3koy h ALA 143 N 0.83 0.60 -0.33 5.00 0.00 -0.83 -2.38 119.26 122.16 3koy h ALA 143 Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3koy h ALA 143 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3koy h ALA 143 CO -0.00 0.31 0.22 -0.07 0.00 0.00 0.00 179.25 179.71 3koy h LEU 144 N 0.61 0.29 -0.21 0.00 3.38 -0.47 0.59 115.31 119.51 3koy h LEU 144 Ca 0.14 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3koy h LEU 144 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3koy h LEU 144 CO 0.00 0.21 0.10 0.44 0.09 0.00 0.00 178.44 179.28 3koy h ASP 145 N 0.34 0.14 0.27 -0.43 5.19 -0.66 0.57 116.42 121.84 3koy h ASP 145 Ca 0.13 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3koy h ASP 145 Cb 0.10 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.60 3koy h ASP 145 CO -0.03 0.11 -0.13 -0.07 -3.12 0.00 0.00 179.24 176.01 3koy h LEU 146 N 0.21 -0.31 -0.98 1.55 3.38 -0.87 -2.92 115.31 115.37 3koy h LEU 146 Ca 0.09 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.36 3koy h LEU 146 Cb 0.03 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 3koy h LEU 146 CO -0.06 -0.21 0.53 0.40 0.09 0.00 0.00 178.44 179.18 3koy h ILE 147 N -0.38 0.34 0.00 1.22 2.04 0.25 0.60 117.51 121.59 3koy h ILE 147 Ca -0.04 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3koy h ILE 147 Cb 0.28 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3koy h ILE 147 CO 0.06 0.06 -0.44 1.05 0.00 0.00 0.00 178.15 178.88 3koy h GLU 148 N 0.35 0.00 0.06 2.37 4.11 0.10 -2.53 114.58 119.04 3koy h GLU 148 Ca 0.69 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.86 3koy h GLU 148 Cb 1.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.78 3koy h GLU 148 CO -0.59 0.44 -1.11 1.49 0.07 0.00 0.00 179.01 179.31 3koy h GLU 149 N 0.00 0.53 -0.01 1.06 4.81 0.35 -1.21 114.58 120.11 3koy h GLU 149 Ca -0.00 -0.65 0.02 0.00 -0.13 0.00 0.00 59.36 58.60 3koy h GLU 149 Cb 0.87 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3koy h GLU 149 CO 0.06 1.26 -0.15 1.49 -0.73 0.00 0.00 179.01 180.94 3koy h GLU 150 N 0.26 -0.23 0.00 1.92 4.81 -0.96 -3.02 114.58 117.36 3koy h GLU 150 Ca -0.14 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3koy h GLU 150 Cb 1.77 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.21 3koy h GLU 150 CO 0.20 -0.15 -0.19 -0.39 -0.73 0.00 0.00 179.01 177.75 3koy h VAL 151 N -0.24 0.00 0.00 0.32 -1.51 -1.50 -3.38 116.25 109.94 3koy h VAL 151 Ca 0.05 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3koy h VAL 151 Cb 0.31 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3koy h VAL 151 CO -0.15 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.80 3koy n GLY 152 N 1.12 1.09 3.63 5.19 0.00 -0.48 -1.66 105.19 114.07 3koy n GLY 152 Ca 0.03 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3koy n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3koy s ARG 153 N -2.35 0.70 0.33 1.61 3.00 -1.05 -4.65 118.95 116.55 3koy s ARG 153 Ca 0.00 0.82 -0.29 0.00 -1.00 0.00 0.00 55.73 55.26 3koy s ARG 153 Cb 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 34.95 35.18 3koy s ARG 153 CO 0.00 -0.09 1.54 -2.14 0.00 0.00 0.00 175.30 174.62 3koy s PRO 154 N 0.29 4.12 -0.24 5.12 0.02 -1.26 -4.74 135.00 138.31 3koy s PRO 154 Ca 0.01 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.52 3koy s PRO 154 Cb -0.05 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.44 3koy s PRO 154 CO -0.02 -0.58 0.08 0.42 -0.33 0.00 0.00 177.00 176.57 3koy s ILE 155 N -0.48 4.48 -0.06 2.83 1.01 -1.26 -4.88 121.20 122.83 3koy s ILE 155 Ca 0.59 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 3koy s ILE 155 Cb -0.47 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3koy s ILE 155 CO 0.54 0.35 1.17 0.20 0.00 0.00 0.00 174.94 177.20 3koy s ASN 156 N 1.44 7.08 -0.07 3.58 0.01 -0.50 -4.93 114.94 121.56 3koy s ASN 156 Ca 0.06 1.78 -0.09 0.00 -0.71 0.00 0.00 52.86 53.89 3koy s ASN 156 Cb -0.15 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 3koy s ASN 156 CO 0.04 -0.56 0.24 -0.47 -1.51 0.00 0.00 177.10 174.84 3koy s TYR 157 N 2.15 3.64 -0.13 2.20 5.04 -1.26 -0.42 117.35 128.57 3koy s TYR 157 Ca 0.55 0.69 -0.12 0.00 -2.44 0.00 0.00 57.07 55.75 3koy s TYR 157 Cb -0.24 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 40.05 3koy s TYR 157 CO 0.22 0.70 0.34 -1.58 -1.34 0.00 0.00 175.55 173.89 3koy s HIS 158 N -1.07 -0.38 0.00 4.97 5.65 -0.48 -1.50 115.29 122.48 3koy s HIS 158 Ca 0.19 0.92 0.00 0.00 0.25 0.00 0.00 55.06 56.42 3koy s HIS 158 Cb -0.14 0.13 0.00 0.00 -1.18 0.00 0.00 32.58 31.39 3koy s HIS 158 CO 0.08 -0.19 0.00 0.45 -0.65 0.00 0.00 174.74 174.43 3koy n SER 159 N 2.98 0.00 -4.58 9.88 2.88 -1.19 -0.27 113.62 123.31 3koy n SER 159 Ca -0.14 -0.61 -0.34 0.00 -1.33 0.00 0.00 58.87 56.46 3koy n SER 159 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 3koy n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3koy s TYR 160 N -5.30 3.10 -2.28 0.66 2.02 -1.26 -2.42 117.35 111.86 3koy s TYR 160 Ca 0.00 -0.07 0.22 0.00 -0.37 0.00 0.00 57.07 56.85 3koy s TYR 160 Cb 0.00 -1.91 0.52 0.00 -0.40 0.00 0.00 41.96 40.17 3koy s TYR 160 CO 0.00 0.17 1.45 0.28 -1.57 0.00 0.00 175.55 175.88 3koy n VAL 161 N 3.04 0.63 -1.02 0.71 0.31 -0.80 -4.92 118.33 116.28 3koy n VAL 161 Ca -0.18 -0.77 -0.27 0.00 -0.01 0.00 0.00 64.34 63.12 3koy n VAL 161 Cb 0.53 0.73 0.22 0.00 -0.91 0.00 0.00 33.84 34.41 3koy n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3koy n SER 162 N 1.39 -1.92 0.00 4.52 7.64 -1.26 -4.34 113.62 119.65 3koy n SER 162 Ca 0.20 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3koy n SER 162 Cb 0.57 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3koy n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3koy n GLY 163 N -3.97 -1.90 0.39 0.23 0.00 -1.26 -4.54 105.19 94.14 3koy n GLY 163 Ca 0.14 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.14 3koy n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3koy n VAL 164 N -0.10 0.08 -2.84 1.61 0.24 0.00 -4.07 118.33 113.25 3koy n VAL 164 Ca 0.00 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.34 61.85 3koy n VAL 164 Cb 0.00 0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.59 3koy n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3koy n ALA 165 N -0.03 4.06 0.14 2.33 0.00 -1.26 -4.83 120.51 120.92 3koy n ALA 165 Ca 0.18 -4.13 -0.11 0.00 0.00 0.00 0.00 53.44 49.38 3koy n ALA 165 Cb 0.28 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 3koy n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3koy h GLY 166 N 2.89 -0.44 0.43 0.00 0.00 -1.76 -2.38 103.07 101.80 3koy h GLY 166 Ca 0.14 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.68 3koy h GLY 166 CO 0.72 -0.16 -0.12 -2.55 0.00 0.00 0.00 176.54 174.43 3koy h PRO 167 N -0.96 -0.10 0.00 4.80 0.11 -1.87 0.33 132.00 134.30 3koy h PRO 167 Ca -0.04 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3koy h PRO 167 Cb 0.50 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3koy h PRO 167 CO 0.07 -0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 177.55 3koy n ASP 168 N -5.28 0.00 -0.22 -2.05 8.00 -1.24 -0.28 116.55 115.49 3koy n ASP 168 Ca -0.02 0.81 0.06 0.00 0.71 0.00 0.00 54.79 56.35 3koy n ASP 168 Cb 0.20 -0.38 0.32 0.00 -0.02 0.00 0.00 41.12 41.24 3koy n ASP 168 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3koy h ILE 169 N 0.00 1.04 -0.37 0.53 2.04 -1.06 -2.10 117.51 117.60 3koy h ILE 169 Ca 0.00 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3koy h ILE 169 Cb 0.00 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3koy h ILE 169 CO 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 178.15 177.98 3koy h ALA 170 N 1.58 0.53 -0.07 1.87 0.00 0.33 -2.33 119.26 121.17 3koy h ALA 170 Ca 0.33 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3koy h ALA 170 Cb 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3koy h ALA 170 CO -0.11 0.59 -0.26 0.28 0.00 0.00 0.00 179.25 179.75 3koy h VAL 171 N 0.67 0.41 0.00 0.00 2.07 0.05 -1.54 116.25 117.90 3koy h VAL 171 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3koy h VAL 171 Cb 0.90 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3koy h VAL 171 CO 0.08 0.00 0.00 -0.03 0.02 0.00 0.00 177.57 177.64 3koy h MET 172 N -0.36 0.00 0.20 1.57 -1.53 -1.39 -0.42 114.93 113.00 3koy h MET 172 Ca 0.08 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 56.03 3koy h MET 172 Cb 0.47 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.55 3koy h MET 172 CO -0.27 0.00 -1.48 0.74 0.14 0.00 0.00 176.91 176.04 3koy h PHE 173 N 0.00 0.76 -0.02 1.39 -1.00 -1.01 -2.42 116.94 114.65 3koy h PHE 173 Ca 0.00 -0.56 -0.12 0.00 2.81 0.00 0.00 57.97 60.11 3koy h PHE 173 Cb 0.28 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 3koy h PHE 173 CO 0.00 1.57 -0.54 0.00 -1.61 0.00 0.00 178.31 177.73 3koy h ALA 174 N 0.10 1.07 0.47 2.45 0.00 -0.76 -1.05 119.26 121.54 3koy h ALA 174 Ca -0.28 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 3koy h ALA 174 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3koy h ALA 174 CO 0.20 0.68 -0.23 0.93 0.00 0.00 0.00 179.25 180.83 3koy h GLU 175 N 0.04 -0.61 0.00 0.00 5.08 -1.17 -3.31 114.58 114.61 3koy h GLU 175 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3koy h GLU 175 Cb 0.97 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3koy h GLU 175 CO 0.07 -0.30 0.00 0.39 -1.00 0.00 0.00 179.01 178.17 3koy n GLU 176 N -5.24 0.95 -3.27 2.33 -0.58 -0.91 -4.84 120.64 109.07 3koy n GLU 176 Ca -0.10 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.49 3koy n GLU 176 Cb 0.30 -1.10 0.08 0.00 -0.57 0.00 0.00 31.44 30.15 3koy n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3koy n GLY 177 N 0.54 -0.31 3.70 0.62 0.00 -0.65 -4.74 105.19 104.34 3koy n GLY 177 Ca 0.05 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3koy n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 178 N -3.32 4.85 -0.58 1.61 1.01 -0.49 -4.85 120.40 118.63 3koy s VAL 178 Ca 0.02 2.03 0.24 0.00 0.00 0.00 0.00 61.98 64.27 3koy s VAL 178 Cb -0.00 -4.31 0.20 0.00 0.00 0.00 0.00 36.38 32.28 3koy s VAL 178 CO 0.65 0.12 1.53 0.78 0.00 0.00 0.00 175.10 178.18 3koy h ASN 179 N 6.89 0.00 -5.02 3.32 4.21 -1.50 -3.43 115.58 120.05 3koy h ASN 179 Ca -0.38 -0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.04 3koy h ASN 179 Cb 1.20 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.26 3koy h ASN 179 CO 0.78 0.03 0.12 -0.83 -1.29 0.00 0.00 177.43 176.23 3koy s GLY 180 N -3.85 -0.51 0.19 2.83 0.00 -0.85 -2.07 107.32 103.06 3koy s GLY 180 Ca 0.07 0.46 -0.21 0.00 0.00 0.00 0.00 44.72 45.04 3koy s GLY 180 CO 0.67 0.14 0.60 0.00 0.00 0.00 0.00 173.10 174.52 3koy s ALA 181 N -3.32 -1.37 -0.01 3.20 0.00 -0.29 -3.19 121.76 116.78 3koy s ALA 181 Ca -0.01 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 3koy s ALA 181 Cb -0.00 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3koy s ALA 181 CO -0.09 -0.83 0.84 -1.01 0.00 0.00 0.00 175.76 174.67 3koy s HIS 182 N -3.81 3.65 -0.19 0.00 3.76 -1.02 -1.38 115.29 116.30 3koy s HIS 182 Ca 0.05 1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 56.40 3koy s HIS 182 Cb -0.02 -2.95 0.09 0.00 1.11 0.00 0.00 32.58 30.82 3koy s HIS 182 CO -0.07 0.08 0.36 -1.14 -0.85 0.00 0.00 174.74 173.12 3koy s GLN 183 N 0.73 0.27 -0.28 1.40 -0.44 -0.61 -1.91 119.66 118.83 3koy s GLN 183 Ca 0.44 0.80 0.01 0.00 -2.50 0.00 0.00 55.36 54.11 3koy s GLN 183 Cb -0.20 -0.03 0.16 0.00 -1.64 0.00 0.00 33.01 31.30 3koy s GLN 183 CO 0.23 -0.37 0.42 0.34 0.50 0.00 0.00 175.29 176.41 3koy s ASP 184 N 2.53 0.21 0.65 6.67 -1.08 -1.26 -4.61 116.67 119.78 3koy s ASP 184 Ca 0.03 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 3koy s ASP 184 Cb -0.13 1.18 1.68 0.00 -1.46 0.00 0.00 42.92 44.19 3koy s ASP 184 CO -0.12 -0.34 1.97 1.55 0.52 0.00 0.00 175.17 178.75 3koy h PRO 185 N 8.15 0.00 0.00 4.34 0.13 -1.98 0.31 132.00 142.96 3koy h PRO 185 Ca -0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.92 3koy h PRO 185 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3koy h PRO 185 CO 0.26 0.00 -0.46 1.96 -0.23 0.00 0.00 178.00 179.53 3koy h GLN 186 N 0.00 0.00 0.22 0.86 4.20 -1.96 -2.64 115.11 115.80 3koy h GLN 186 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3koy h GLN 186 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 3koy h GLN 186 CO -0.00 0.46 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.57 3koy h TYR 187 N 0.00 -0.34 -0.86 2.96 3.20 -0.76 -1.39 116.97 119.78 3koy h TYR 187 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 3koy h TYR 187 Cb 0.85 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 3koy h TYR 187 CO 0.00 -0.21 0.56 -0.91 -1.64 0.00 0.00 178.16 175.96 3koy h ASN 188 N -0.34 0.74 0.00 -2.11 2.35 -1.51 -1.73 115.58 112.98 3koy h ASN 188 Ca -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3koy h ASN 188 Cb 0.28 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3koy h ASN 188 CO 0.03 0.43 -0.02 0.58 -1.65 0.00 0.00 177.43 176.80 3koy h VAL 189 N 0.81 0.00 0.30 2.81 2.07 -1.42 0.45 116.25 121.27 3koy h VAL 189 Ca 0.40 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3koy h VAL 189 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3koy h VAL 189 CO -0.17 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.00 3koy h LEU 190 N -0.71 -0.96 0.00 2.57 3.38 -1.26 -2.88 115.31 115.46 3koy h LEU 190 Ca 0.00 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3koy h LEU 190 Cb 0.02 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3koy h LEU 190 CO 0.00 -0.48 -1.97 -1.22 0.09 0.00 0.00 178.44 174.87 3koy n TYR 191 N -5.45 0.15 0.46 1.13 4.01 -0.66 -4.38 117.16 112.42 3koy n TYR 191 Ca -0.09 0.05 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 3koy n TYR 191 Cb 0.36 -0.69 0.02 0.00 -0.31 0.00 0.00 39.34 38.72 3koy n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3koy n ARG 192 N -2.45 1.38 -3.02 -0.72 5.12 -1.17 -5.00 116.66 110.81 3koy n ARG 192 Ca -0.11 -0.86 -0.21 0.00 -1.93 0.00 0.00 57.85 54.75 3koy n ARG 192 Cb 0.72 -1.15 0.01 0.00 -1.16 0.00 0.00 32.46 30.88 3koy n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3koy n ASN 193 N 0.14 -4.78 -4.82 0.55 5.15 -0.91 -4.85 115.26 105.74 3koy n ASN 193 Ca 0.05 -0.23 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 3koy n ASN 193 Cb 0.24 -3.93 -0.02 0.00 -0.53 0.00 0.00 39.78 35.55 3koy n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3koy s ILE 194 N -2.98 4.21 0.22 -1.44 1.01 0.15 -0.91 121.20 121.47 3koy s ILE 194 Ca 0.27 1.08 -0.31 0.00 0.00 0.00 0.00 60.65 61.70 3koy s ILE 194 Cb -0.13 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 3koy s ILE 194 CO 0.33 -0.58 1.55 0.21 0.00 0.00 0.00 174.94 176.45 3koy s ASN 195 N -2.87 6.54 0.13 3.58 3.84 -0.52 -4.18 114.94 121.46 3koy s ASN 195 Ca 0.61 2.73 -0.16 0.00 0.21 0.00 0.00 52.86 56.25 3koy s ASN 195 Cb -0.13 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 37.96 3koy s ASN 195 CO 0.32 -0.82 1.67 0.00 -2.79 0.00 0.00 177.10 175.48 3koy h MET 196 N 5.88 0.61 0.13 0.43 -0.00 -1.81 0.25 114.93 120.42 3koy h MET 196 Ca -0.45 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.70 59.13 3koy h MET 196 Cb 1.21 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 3koy h MET 196 CO 0.85 0.59 -0.06 0.82 -0.00 0.00 0.00 176.91 179.11 3koy h ILE 197 N 0.50 1.01 -0.14 -0.10 2.04 -1.92 -1.20 117.51 117.70 3koy h ILE 197 Ca 0.13 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3koy h ILE 197 Cb 0.21 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3koy h ILE 197 CO -0.01 0.14 -0.53 -0.09 0.00 0.00 0.00 178.15 177.66 3koy h ARG 198 N -0.44 -0.55 -0.19 2.37 9.65 -1.87 -1.75 114.38 121.61 3koy h ARG 198 Ca -0.02 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 3koy h ARG 198 Cb 0.36 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 3koy h ARG 198 CO 0.03 -0.37 -0.41 1.03 2.80 0.00 0.00 179.97 183.05 3koy h SER 199 N -0.57 -1.31 -0.01 -3.80 0.87 -0.38 -1.46 113.55 106.89 3koy h SER 199 Ca 0.04 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 3koy h SER 199 Cb 0.68 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3koy h SER 199 CO -0.44 -0.41 -0.11 -0.26 -0.53 0.00 0.00 176.83 175.08 3koy h PHE 200 N -0.45 0.28 0.34 2.24 -1.00 -1.14 -2.31 116.94 114.89 3koy h PHE 200 Ca 0.09 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 3koy h PHE 200 Cb 0.61 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3koy h PHE 200 CO -0.51 0.38 -0.16 0.82 -1.61 0.00 0.00 178.31 177.23 3koy h ILE 201 N 0.26 0.58 -1.09 -0.55 2.04 -0.58 -3.05 117.51 115.11 3koy h ILE 201 Ca 0.05 -0.66 0.31 0.00 1.00 0.00 0.00 64.86 65.56 3koy h ILE 201 Cb 0.36 0.87 -0.12 0.00 -0.74 0.00 0.00 36.82 37.19 3koy h ILE 201 CO 0.02 0.11 0.68 0.44 0.00 0.00 0.00 178.15 179.40 3koy h ASP 202 N -0.87 0.45 0.07 1.72 3.32 -1.25 -1.20 116.42 118.66 3koy h ASP 202 Ca -0.05 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3koy h ASP 202 Cb 0.53 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3koy h ASP 202 CO 0.08 -0.01 -0.21 0.00 -1.72 0.00 0.00 179.24 177.38 3koy h ALA 203 N 1.68 1.39 -0.70 3.45 0.00 -1.31 0.75 119.26 124.51 3koy h ALA 203 Ca 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3koy h ALA 203 Cb 1.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3koy h ALA 203 CO -0.41 0.43 0.44 0.00 0.00 0.00 0.00 179.25 179.71 3koy h GLU 205 N 0.95 -0.70 -0.76 0.00 4.57 -1.25 -2.69 114.58 114.71 3koy h GLU 205 Ca 0.25 0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.61 3koy h GLU 205 Cb -0.06 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 28.56 3koy h GLU 205 CO -0.05 -0.47 -0.36 0.77 -1.18 0.00 0.00 179.01 177.72 3koy h SER 206 N -0.98 -1.30 0.22 1.04 0.02 -0.75 0.29 113.55 112.09 3koy h SER 206 Ca -0.07 0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3koy h SER 206 Cb 0.56 0.66 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 3koy h SER 206 CO 0.12 -0.30 -0.08 0.11 -1.14 0.00 0.00 176.83 175.54 3koy h LYS 207 N -0.10 0.00 0.13 3.45 1.57 -0.45 -1.22 116.57 119.95 3koy h LYS 207 Ca 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3koy h LYS 207 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3koy h LYS 207 CO -0.81 0.08 -0.06 1.15 -0.57 0.00 0.00 179.45 179.24 3koy h THR 208 N 0.00 0.93 -0.74 -0.16 2.02 -0.13 -2.03 112.91 112.80 3koy h THR 208 Ca -0.00 -1.24 0.16 0.00 0.77 0.00 0.00 66.41 66.09 3koy h THR 208 Cb 0.22 1.59 -0.14 0.00 -1.74 0.00 0.00 68.15 68.08 3koy h THR 208 CO 0.01 0.25 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 3koy h ILE 209 N -0.86 0.30 -0.77 3.11 2.04 -0.93 -1.66 117.51 118.74 3koy h ILE 209 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3koy h ILE 209 Cb 0.54 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3koy h ILE 209 CO 0.03 0.01 0.49 0.24 0.00 0.00 0.00 178.15 178.91 3koy h MET 210 N 0.04 1.03 -0.04 2.37 2.86 -1.27 -2.03 114.93 117.89 3koy h MET 210 Ca 0.38 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.85 3koy h MET 210 Cb 0.62 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3koy h MET 210 CO -0.72 0.70 -0.43 0.00 1.06 0.00 0.00 176.91 177.53 3koy h ALA 211 N 1.49 1.22 -0.11 6.32 0.00 -0.56 -2.21 119.26 125.41 3koy h ALA 211 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3koy h ALA 211 Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3koy h ALA 211 CO -0.06 0.56 0.01 2.35 0.00 0.00 0.00 179.25 182.12 3koy h TRP 212 N 0.07 0.19 0.00 0.00 7.01 -0.74 -2.87 115.95 119.61 3koy h TRP 212 Ca 0.00 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3koy h TRP 212 Cb 0.79 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 3koy h TRP 212 CO 0.00 0.39 0.00 0.00 -2.79 0.00 0.00 178.44 176.05 3koy n ALA 213 N -2.27 2.19 -3.99 2.65 0.00 -0.82 -4.83 120.51 113.44 3koy n ALA 213 Ca -0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 3koy n ALA 213 Cb 0.18 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3koy n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3koy n ASP 214 N -0.57 -1.05 -4.93 0.00 2.03 -1.08 -2.83 116.55 108.12 3koy n ASP 214 Ca 0.02 -0.99 -0.25 0.00 0.52 0.00 0.00 54.79 54.09 3koy n ASP 214 Cb 0.01 -3.07 -0.01 0.00 -0.72 0.00 0.00 41.12 37.33 3koy n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3koy s MET 215 N -6.61 3.50 0.10 -0.67 -1.94 -0.85 -2.53 119.30 110.30 3koy s MET 215 Ca 0.16 -0.23 -0.17 0.00 -1.71 0.00 0.00 55.69 53.74 3koy s MET 215 Cb -0.09 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.07 3koy s MET 215 CO 0.89 0.10 0.56 0.00 -0.01 0.00 0.00 175.02 176.56 3koy s ALA 216 N -2.37 3.59 -0.10 3.03 0.00 -0.88 -4.85 121.76 120.19 3koy s ALA 216 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3koy s ALA 216 Cb -0.10 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3koy s ALA 216 CO 0.37 0.42 -0.09 -1.14 0.00 0.00 0.00 175.76 175.32 3koy s GLN 217 N -1.42 3.05 -0.12 0.00 0.74 0.11 -1.13 119.66 120.89 3koy s GLN 217 Ca 0.32 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 55.13 3koy s GLN 217 Cb -0.18 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 3koy s GLN 217 CO 0.19 0.46 -0.14 0.42 -0.55 0.00 0.00 175.29 175.67 3koy s ILE 218 N -0.27 2.98 0.86 -2.34 1.01 -0.48 -0.17 121.20 122.79 3koy s ILE 218 Ca 0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3koy s ILE 218 Cb -0.13 -2.24 0.18 0.00 0.01 0.00 0.00 42.46 40.29 3koy s ILE 218 CO 0.03 0.53 1.18 1.51 0.00 0.00 0.00 174.94 178.19 3koy s ASP 219 N 0.23 3.58 0.00 3.58 1.47 -0.99 -1.57 116.67 122.96 3koy s ASP 219 Ca -0.09 -0.15 0.10 0.00 1.18 0.00 0.00 52.55 53.59 3koy s ASP 219 Cb -0.15 0.01 0.25 0.00 -0.34 0.00 0.00 42.92 42.68 3koy s ASP 219 CO 0.05 -2.40 1.18 0.61 0.68 0.00 0.00 175.17 175.29 3koy n GLY 223 N -3.35 2.39 0.31 2.12 0.00 -1.26 -4.34 105.19 101.06 3koy n GLY 223 Ca 0.16 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 46.05 3koy n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy n ALA 224 N 0.43 0.64 0.24 4.61 0.00 -1.26 0.51 120.51 125.67 3koy n ALA 224 Ca 0.10 0.98 0.02 0.00 0.00 0.00 0.00 53.44 54.53 3koy n ALA 224 Cb 0.39 -0.80 0.12 0.00 0.00 0.00 0.00 19.45 19.16 3koy n ALA 224 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3koy n HIS 225 N -5.27 0.00 0.11 0.00 1.44 -1.23 0.29 115.22 110.56 3koy n HIS 225 Ca 0.26 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.95 3koy n HIS 225 Cb 0.88 -0.09 0.06 0.00 0.12 0.00 0.00 29.99 30.96 3koy n HIS 225 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3koy h ASN 226 N 0.00 0.00 -0.32 4.39 2.35 -0.31 -3.16 115.58 118.53 3koy h ASN 226 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3koy h ASN 226 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3koy h ASN 226 CO 0.00 0.72 0.12 0.00 -1.65 0.00 0.00 177.43 176.62 3koy h ALA 227 N 1.28 1.49 0.13 -0.83 0.00 -0.32 -2.10 119.26 118.92 3koy h ALA 227 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3koy h ALA 227 Cb 1.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3koy h ALA 227 CO 0.09 0.39 -0.20 -0.91 0.00 0.00 0.00 179.25 178.62 3koy h ASN 228 N 0.55 -0.58 -0.66 0.00 2.35 -1.64 -2.75 115.58 112.86 3koy h ASN 228 Ca 0.13 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 3koy h ASN 228 Cb 0.17 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 3koy h ASN 228 CO -0.01 -0.24 -0.39 0.00 -1.65 0.00 0.00 177.43 175.14 3koy n ALA 229 N -2.54 -0.42 0.76 -0.83 0.00 -1.04 -2.67 120.51 113.77 3koy n ALA 229 Ca -0.04 0.56 0.10 0.00 0.00 0.00 0.00 53.44 54.06 3koy n ALA 229 Cb 0.17 0.07 0.46 0.00 0.00 0.00 0.00 19.45 20.15 3koy n ALA 229 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3koy n THR 230 N -4.49 0.53 -2.58 0.00 -2.24 -0.82 -4.78 114.28 99.91 3koy n THR 230 Ca 0.01 0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.54 3koy n THR 230 Cb 0.17 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 3koy n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3koy s ALA 231 N -2.93 3.26 0.07 6.98 0.00 -1.04 -4.98 121.76 123.12 3koy s ALA 231 Ca 0.12 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 3koy s ALA 231 Cb 0.14 -3.27 -0.18 0.00 0.00 0.00 0.00 23.12 19.81 3koy s ALA 231 CO 0.37 -0.07 1.59 0.00 0.00 0.00 0.00 175.76 177.65 3koy h ARG 232 N 3.33 -0.67 -4.74 0.00 2.47 -1.86 -3.41 114.38 109.51 3koy h ARG 232 Ca -0.47 0.05 -0.63 0.00 -1.26 0.00 0.00 59.98 57.66 3koy h ARG 232 Cb 1.21 0.15 -0.36 0.00 -1.65 0.00 0.00 29.97 29.32 3koy h ARG 232 CO 0.65 -0.42 -0.82 -1.21 0.56 0.00 0.00 179.97 178.72 3koy s GLU 233 N -5.89 2.33 0.56 0.04 2.02 -1.26 -5.01 118.70 111.48 3koy s GLU 233 Ca -0.16 -0.85 0.36 0.00 0.02 0.00 0.00 54.97 54.34 3koy s GLU 233 Cb 0.04 -2.45 1.72 0.00 0.10 0.00 0.00 34.13 33.53 3koy s GLU 233 CO 0.61 -0.36 2.09 0.00 0.02 0.00 0.00 175.26 177.62 3koy h ALA 234 N 7.95 1.00 0.00 5.21 0.00 -1.83 -2.28 119.26 129.32 3koy h ALA 234 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3koy h ALA 234 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3koy h ALA 234 CO 0.52 0.00 -0.07 -2.67 0.00 0.00 0.00 179.25 177.03 3koy n TRP 235 N -2.99 0.25 1.23 0.00 2.14 -1.26 -3.16 117.44 113.65 3koy n TRP 235 Ca -0.01 0.07 0.13 0.00 2.07 0.00 0.00 57.50 59.76 3koy n TRP 235 Cb 0.20 -0.59 0.30 0.00 -0.81 0.00 0.00 31.31 30.41 3koy n TRP 235 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3koy n LYS 236 N -1.71 1.52 0.00 -2.67 5.02 -0.86 -4.39 118.16 115.08 3koy n LYS 236 Ca 0.06 -1.07 0.12 0.00 -2.02 0.00 0.00 58.31 55.41 3koy n LYS 236 Cb 0.37 -1.48 0.11 0.00 -0.02 0.00 0.00 35.03 34.01 3koy n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3koy n VAL 237 N 0.19 0.00 -0.25 -0.18 3.14 -1.19 -4.05 118.33 115.99 3koy n VAL 237 Ca 0.14 -0.34 -0.02 0.00 -2.96 0.00 0.00 64.34 61.16 3koy n VAL 237 Cb 0.43 1.22 0.09 0.00 -1.06 0.00 0.00 33.84 34.52 3koy n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3koy h MET 238 N 3.22 0.77 -0.41 1.45 2.86 -1.77 -1.52 114.93 119.53 3koy h MET 238 Ca 0.00 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3koy h MET 238 Cb 0.81 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 3koy h MET 238 CO 0.00 0.51 -0.12 -1.35 1.06 0.00 0.00 176.91 177.00 3koy h PRO 239 N 0.79 -0.03 -0.58 -0.22 0.11 -1.88 -1.99 132.00 128.20 3koy h PRO 239 Ca 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 3koy h PRO 239 Cb 0.11 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3koy h PRO 239 CO -0.15 -0.02 0.24 1.49 -0.21 0.00 0.00 178.00 179.36 3koy h GLU 240 N -0.03 0.84 0.11 1.05 4.81 -1.62 -2.43 114.58 117.31 3koy h GLU 240 Ca 0.20 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3koy h GLU 240 Cb 0.33 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3koy h GLU 240 CO -0.44 0.68 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.28 3koy h LEU 241 N 0.83 -0.47 -0.70 1.64 3.38 -0.83 0.31 115.31 119.47 3koy h LEU 241 Ca 0.20 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.32 3koy h LEU 241 Cb 0.14 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3koy h LEU 241 CO -0.02 -0.25 0.34 0.24 0.09 0.00 0.00 178.44 178.84 3koy h MET 242 N -0.34 0.57 0.46 1.13 2.86 -0.92 0.18 114.93 118.86 3koy h MET 242 Ca 0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3koy h MET 242 Cb 0.35 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3koy h MET 242 CO -0.08 0.37 -0.28 0.28 1.06 0.00 0.00 176.91 178.26 3koy h VAL 243 N 0.58 0.43 -0.60 -2.22 2.07 -1.21 -1.33 116.25 113.98 3koy h VAL 243 Ca 0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.97 3koy h VAL 243 Cb 0.38 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 3koy h VAL 243 CO -0.27 0.00 0.16 1.56 0.02 0.00 0.00 177.57 179.04 3koy h GLN 244 N -0.70 0.30 -0.27 1.57 4.20 0.46 0.27 115.11 120.94 3koy h GLN 244 Ca -0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3koy h GLN 244 Cb 0.57 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3koy h GLN 244 CO 0.06 0.20 0.16 0.45 -0.67 0.00 0.00 178.83 179.03 3koy h HIS 245 N 0.31 0.36 0.16 2.96 3.86 -0.66 -2.47 115.15 119.68 3koy h HIS 245 Ca 0.31 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.53 3koy h HIS 245 Cb 0.43 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3koy h HIS 245 CO -0.21 0.28 -0.26 0.00 0.86 0.00 0.00 177.93 178.59 3koy h ALA 246 N 1.05 -0.47 -0.23 2.45 0.00 0.07 0.16 119.26 122.29 3koy h ALA 246 Ca 0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3koy h ALA 246 Cb 0.02 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3koy h ALA 246 CO -0.02 -0.81 -0.04 -0.07 0.00 0.00 0.00 179.25 178.32 3koy h LEU 247 N -0.49 -0.18 -0.53 0.00 3.38 -0.48 -1.03 115.31 115.98 3koy h LEU 247 Ca 0.02 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3koy h LEU 247 Cb 0.50 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3koy h LEU 247 CO -0.12 -0.06 -0.50 -1.13 0.09 0.00 0.00 178.44 176.71 3koy h ASN 248 N 0.02 0.67 0.72 -0.43 -1.24 -1.21 -1.85 115.58 112.25 3koy h ASN 248 Ca 0.11 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 56.75 3koy h ASN 248 Cb 0.16 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 39.03 3koy h ASN 248 CO -0.22 1.05 -0.35 0.28 -1.29 0.00 0.00 177.43 176.90 3koy h SER 249 N 0.48 -0.82 -0.88 1.15 0.02 -0.44 0.13 113.55 113.18 3koy h SER 249 Ca 0.02 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 3koy h SER 249 Cb 1.05 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 3koy h SER 249 CO 0.10 -0.45 0.57 -0.29 -1.14 0.00 0.00 176.83 175.61 3koy h ILE 250 N -1.24 0.84 0.25 3.27 6.09 -1.27 0.13 117.51 125.59 3koy h ILE 250 Ca -0.10 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 3koy h ILE 250 Cb 0.75 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.15 3koy h ILE 250 CO 0.16 0.12 -0.12 0.15 -3.07 0.00 0.00 178.15 175.40 3koy h PHE 251 N 0.68 -0.31 -0.94 2.19 3.57 -1.28 -2.50 116.94 118.35 3koy h PHE 251 Ca 0.44 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.98 3koy h PHE 251 Cb 0.71 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 3koy h PHE 251 CO -0.00 -0.10 0.62 0.77 -2.23 0.00 0.00 178.31 177.36 3koy h SER 252 N -0.47 1.00 0.77 0.41 0.02 0.50 -2.30 113.55 113.49 3koy h SER 252 Ca -0.03 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3koy h SER 252 Cb 0.35 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.68 3koy h SER 252 CO 0.06 0.67 -0.37 0.25 -1.14 0.00 0.00 176.83 176.30 3koy h LEU 253 N 1.16 -0.88 -1.36 5.07 5.85 -0.66 -2.00 115.31 122.49 3koy h LEU 253 Ca 0.39 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.15 3koy h LEU 253 Cb 0.07 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3koy h LEU 253 CO -0.13 -0.60 0.45 0.11 -0.34 0.00 0.00 178.44 177.93 3koy h LYS 254 N -1.09 0.82 -0.02 1.25 1.79 -1.37 0.30 116.57 118.25 3koy h LYS 254 Ca -0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3koy h LYS 254 Cb 0.81 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3koy h LYS 254 CO 0.17 0.54 0.02 0.28 -1.08 0.00 0.00 179.45 179.39 3koy h VAL 255 N 0.85 1.00 0.00 0.50 2.07 -1.27 -3.46 116.25 115.93 3koy h VAL 255 Ca 0.26 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3koy h VAL 255 Cb 0.01 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3koy h VAL 255 CO -0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.14 3koy n GLY 256 N -1.54 0.54 3.71 2.17 0.00 0.10 -4.93 105.19 105.24 3koy n GLY 256 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3koy n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3koy s MET 257 N 0.00 1.93 0.29 1.61 -1.94 -0.80 -4.98 119.30 115.40 3koy s MET 257 Ca 0.00 1.84 -0.22 0.00 -1.71 0.00 0.00 55.69 55.60 3koy s MET 257 Cb 0.00 -1.80 -0.09 0.00 2.01 0.00 0.00 34.83 34.95 3koy s MET 257 CO 0.00 -2.02 0.84 0.15 -0.01 0.00 0.00 175.02 173.98 3koy s LYS 258 N -3.91 4.38 0.31 2.03 1.02 -1.26 -4.53 119.74 117.77 3koy s LYS 258 Ca 0.76 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.82 3koy s LYS 258 Cb -0.31 -2.77 0.53 0.00 -0.52 0.00 0.00 37.83 34.76 3koy s LYS 258 CO 0.47 0.30 1.94 0.87 -0.92 0.00 0.00 175.35 178.01 3koy h LYS 259 N 3.13 0.99 0.00 1.68 1.57 -1.94 0.13 116.57 122.14 3koy h LYS 259 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3koy h LYS 259 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3koy h LYS 259 CO 0.65 0.66 0.00 -1.13 -0.57 0.00 0.00 179.45 179.06 3koy n SER 260 N -4.46 0.34 -0.06 0.86 3.41 -1.26 -1.97 113.62 110.48 3koy n SER 260 Ca 0.12 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 3koy n SER 260 Cb 0.15 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.32 3koy n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3koy n ASN 261 N -1.96 0.84 -4.59 4.04 3.02 0.43 -4.77 115.26 112.26 3koy n ASN 261 Ca -0.01 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 3koy n ASN 261 Cb 0.03 0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 40.04 3koy n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3koy s ILE 262 N -2.30 4.99 -0.19 2.41 1.01 -0.83 0.08 121.20 126.37 3koy s ILE 262 Ca 0.07 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.48 3koy s ILE 262 Cb 0.11 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3koy s ILE 262 CO 0.57 -0.10 -0.19 0.00 0.00 0.00 0.00 174.94 175.22 3koy s LEU 264 N 1.27 4.20 -0.68 0.00 1.02 -0.28 -2.34 118.68 121.88 3koy s LEU 264 Ca 0.03 1.52 -0.27 0.00 0.02 0.00 0.00 54.13 55.43 3koy s LEU 264 Cb -0.14 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.55 3koy s LEU 264 CO -0.12 -0.54 1.23 -0.55 0.02 0.00 0.00 176.35 176.39 3koy s SER 265 N 1.20 6.25 -0.28 2.29 0.15 -1.26 -1.18 113.70 120.87 3koy s SER 265 Ca 0.48 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3koy s SER 265 Cb -0.18 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.66 3koy s SER 265 CO 0.15 -1.70 -0.01 0.28 1.20 0.00 0.00 173.24 173.16 3koy s THR 266 N 5.39 1.75 -0.26 6.45 -1.32 -0.54 -3.51 115.64 123.61 3koy s THR 266 Ca 0.37 -1.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.07 3koy s THR 266 Cb -0.08 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 3koy s THR 266 CO 0.18 -0.32 0.29 -0.69 -2.21 0.00 0.00 174.62 171.87 3koy s VAL 267 N 1.24 5.25 -0.24 5.08 1.01 -1.26 -2.07 120.40 129.40 3koy s VAL 267 Ca 0.01 0.42 -0.35 0.00 0.00 0.00 0.00 61.98 62.06 3koy s VAL 267 Cb -0.19 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 3koy s VAL 267 CO -0.09 0.23 2.03 -2.65 0.00 0.00 0.00 175.10 174.61 3koy n PRO 268 N 4.93 1.53 0.00 2.72 -0.02 -1.26 -4.84 135.00 138.06 3koy n PRO 268 Ca -0.11 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3koy n PRO 268 Cb 0.51 -2.54 0.50 0.00 -0.02 0.00 0.00 33.50 31.95 3koy n PRO 268 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3koy n PRO 269 N 7.33 0.18 -4.43 0.52 -0.02 -1.26 -4.70 135.00 132.62 3koy n PRO 269 Ca 0.32 0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.70 3koy n PRO 269 Cb 0.26 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.13 3koy n PRO 269 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3koy s THR 270 N -2.74 1.16 0.14 3.45 -4.23 -1.26 -4.55 115.64 107.61 3koy s THR 270 Ca 0.16 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3koy s THR 270 Cb 0.14 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 3koy s THR 270 CO 0.35 -0.06 0.23 0.00 -0.54 0.00 0.00 174.62 174.59 3koy s ALA 271 N -3.32 0.04 0.63 3.99 0.00 -1.26 -4.90 121.76 116.94 3koy s ALA 271 Ca 0.35 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 3koy s ALA 271 Cb 0.08 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 3koy s ALA 271 CO 0.14 -0.58 1.27 -2.14 0.00 0.00 0.00 175.76 174.46 3koy s PRO 272 N -3.94 2.68 0.00 0.00 0.02 -1.26 -2.58 135.00 129.92 3koy s PRO 272 Ca 0.14 2.01 0.25 0.00 0.02 0.00 0.00 61.00 63.42 3koy s PRO 272 Cb 0.04 -1.88 1.50 0.00 0.02 0.00 0.00 34.50 34.18 3koy s PRO 272 CO -0.03 -1.48 1.91 -2.30 -0.33 0.00 0.00 177.00 174.77 3koy n PRO 273 N -1.79 0.91 -1.93 5.54 -0.02 -1.26 -5.10 135.00 131.35 3koy n PRO 273 Ca 0.15 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.24 3koy n PRO 273 Cb 0.48 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.54 3koy n PRO 273 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3koy s ALA 274 N -2.00 3.19 -0.79 3.55 0.00 -1.06 -4.84 121.76 119.81 3koy s ALA 274 Ca 0.38 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 3koy s ALA 274 Cb 0.17 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 3koy s ALA 274 CO 0.29 -1.02 1.92 -0.35 0.00 0.00 0.00 175.76 176.60 3koy n PRO 275 N -0.15 0.61 -0.12 0.00 -0.04 -1.26 -4.70 135.00 129.33 3koy n PRO 275 Ca 0.05 -1.72 -0.13 0.00 -0.04 0.00 0.00 63.50 61.66 3koy n PRO 275 Cb 0.43 -3.40 -0.02 0.00 -0.04 0.00 0.00 33.50 30.48 3koy n PRO 275 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3koy h SER 276 N 10.29 1.00 -0.36 3.54 4.64 -1.88 -1.06 113.55 129.72 3koy h SER 276 Ca 0.17 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3koy h SER 276 Cb 0.86 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3koy h SER 276 CO 1.45 1.27 0.15 0.24 -0.87 0.00 0.00 176.83 179.06 3koy h MET 277 N 0.76 0.54 -0.44 4.77 2.86 -1.92 0.19 114.93 121.69 3koy h MET 277 Ca 0.06 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3koy h MET 277 Cb 0.99 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3koy h MET 277 CO 0.10 0.51 0.27 -0.92 1.06 0.00 0.00 176.91 177.94 3koy h TYR 278 N 0.44 0.57 -0.46 -0.22 3.20 -1.90 0.18 116.97 118.77 3koy h TYR 278 Ca 0.12 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3koy h TYR 278 Cb 0.18 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3koy h TYR 278 CO -0.00 0.38 0.08 -0.07 -1.64 0.00 0.00 178.16 176.91 3koy h LEU 279 N 0.59 0.73 0.00 2.82 3.38 -0.99 -3.38 115.31 118.46 3koy h LEU 279 Ca 0.16 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 3koy h LEU 279 Cb -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3koy h LEU 279 CO -0.03 0.80 -1.73 0.47 0.09 0.00 0.00 178.44 178.04 3koy n ASP 280 N -4.45 0.85 -0.01 -0.43 8.00 0.65 -4.21 116.55 116.95 3koy n ASP 280 Ca 0.01 0.40 -0.02 0.00 0.71 0.00 0.00 54.79 55.89 3koy n ASP 280 Cb 0.24 -0.04 0.24 0.00 -0.02 0.00 0.00 41.12 41.55 3koy n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3koy h LEU 281 N 0.00 0.53 -0.20 0.64 5.85 -0.83 -1.68 115.31 119.63 3koy h LEU 281 Ca -0.29 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3koy h LEU 281 Cb 2.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 3koy h LEU 281 CO 0.08 0.67 0.04 -0.65 -0.34 0.00 0.00 178.44 178.24 3koy h PRO 282 N 0.51 0.32 -0.91 5.25 0.11 -1.76 -2.36 132.00 133.16 3koy h PRO 282 Ca 0.10 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 66.18 3koy h PRO 282 Cb 0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.48 3koy h PRO 282 CO 0.03 0.46 0.58 -0.92 -0.21 0.00 0.00 178.00 177.94 3koy h TYR 283 N 0.12 1.08 -1.01 0.65 3.20 -1.64 -1.73 116.97 117.65 3koy h TYR 283 Ca 0.06 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.01 3koy h TYR 283 Cb 0.29 -0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 3koy h TYR 283 CO 0.01 0.57 0.66 0.00 -1.64 0.00 0.00 178.16 177.76 3koy h ALA 284 N 1.41 1.37 -0.06 1.82 0.00 -1.29 -2.55 119.26 119.96 3koy h ALA 284 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3koy h ALA 284 Cb 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3koy h ALA 284 CO -0.16 0.51 -0.07 0.28 0.00 0.00 0.00 179.25 179.81 3koy h VAL 285 N 1.23 1.38 -0.37 0.00 2.07 -0.77 -2.51 116.25 117.29 3koy h VAL 285 Ca 0.42 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3koy h VAL 285 Cb 0.08 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 3koy h VAL 285 CO -0.15 0.35 0.09 0.00 0.02 0.00 0.00 177.57 177.88 3koy h ALA 286 N 0.54 0.40 -0.18 1.67 0.00 -1.43 -1.51 119.26 118.74 3koy h ALA 286 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3koy h ALA 286 Cb 0.59 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3koy h ALA 286 CO 0.02 -0.31 -0.07 1.25 0.00 0.00 0.00 179.25 180.14 3koy h LEU 287 N 0.22 -0.23 -1.89 0.00 5.85 -1.45 1.22 115.31 119.03 3koy h LEU 287 Ca 0.17 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3koy h LEU 287 Cb 0.19 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3koy h LEU 287 CO -0.21 -0.09 0.09 0.03 -0.34 0.00 0.00 178.44 177.92 3koy h ARG 288 N -0.03 0.15 0.19 1.25 -0.00 -1.20 0.27 114.38 115.00 3koy h ARG 288 Ca 0.09 -0.01 -0.35 0.00 -0.50 0.00 0.00 59.98 59.21 3koy h ARG 288 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.12 3koy h ARG 288 CO -0.21 0.10 -1.76 0.93 0.00 0.00 0.00 179.97 179.02 3koy h GLU 289 N 0.15 0.40 0.00 0.04 5.08 -0.14 -2.55 114.58 117.55 3koy h GLU 289 Ca 0.05 -0.68 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 3koy h GLU 289 Cb 0.03 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3koy h GLU 289 CO -0.01 1.32 -0.18 1.98 -1.00 0.00 0.00 179.01 181.12 3koy h MET 290 N 0.11 0.00 -0.27 2.33 4.05 0.16 -3.23 114.93 118.08 3koy h MET 290 Ca -0.35 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.99 3koy h MET 290 Cb 2.10 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.85 3koy h MET 290 CO 0.18 0.18 -0.05 1.19 0.23 0.00 0.00 176.91 178.64 3koy n PHE 291 N -3.15 0.89 -1.67 1.39 3.72 0.07 -5.02 117.46 113.69 3koy n PHE 291 Ca 0.03 -1.25 -0.50 0.00 -0.05 0.00 0.00 57.45 55.69 3koy n PHE 291 Cb 0.60 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 3koy n PHE 291 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3koy n GLU 292 N -0.92 1.84 0.00 -1.08 2.13 -0.96 -1.71 120.64 119.94 3koy n GLU 292 Ca 0.26 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3koy n GLU 292 Cb 0.93 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3koy n GLU 292 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3koy n GLY 293 N 3.75 0.79 3.95 8.31 0.00 -1.26 -5.08 105.19 115.65 3koy n GLY 293 Ca 0.21 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3koy n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koy s TYR 294 N -0.82 2.01 -0.05 1.61 2.02 -0.69 -4.43 117.35 117.00 3koy s TYR 294 Ca 0.00 0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.70 3koy s TYR 294 Cb 0.00 -3.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 3koy s TYR 294 CO 0.00 -1.93 0.38 1.03 -1.57 0.00 0.00 175.55 173.46 3koy s ARG 295 N -5.42 3.98 -0.28 -0.62 1.81 0.14 -5.00 118.95 113.56 3koy s ARG 295 Ca 0.67 0.32 -0.13 0.00 -1.72 0.00 0.00 55.73 54.88 3koy s ARG 295 Cb -0.07 -3.28 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 3koy s ARG 295 CO 0.47 0.56 0.26 -1.64 -0.68 0.00 0.00 175.30 174.27 3koy s MET 296 N -0.61 3.94 -0.78 3.54 -1.94 -1.26 -1.12 119.30 121.06 3koy s MET 296 Ca 0.22 -0.22 -0.05 0.00 -1.71 0.00 0.00 55.69 53.94 3koy s MET 296 Cb -0.16 -3.67 0.20 0.00 2.01 0.00 0.00 34.83 33.21 3koy s MET 296 CO 0.11 -0.24 0.66 0.50 -0.01 0.00 0.00 175.02 176.03 3koy s ARG 297 N 1.87 3.10 0.35 2.03 3.00 -0.33 -0.84 118.95 128.14 3koy s ARG 297 Ca 0.10 -2.81 -0.29 0.00 -1.00 0.00 0.00 55.73 51.73 3koy s ARG 297 Cb -0.16 -3.99 -0.11 0.00 0.00 0.00 0.00 34.95 30.69 3koy s ARG 297 CO 0.11 -1.23 1.44 0.00 0.00 0.00 0.00 175.30 175.61 3koy s ALA 298 N -0.53 3.57 0.14 6.12 0.00 -0.77 -1.47 121.76 128.82 3koy s ALA 298 Ca 0.21 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.66 3koy s ALA 298 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3koy s ALA 298 CO -0.08 -0.90 -0.04 -1.14 0.00 0.00 0.00 175.76 173.60 3koy s GLN 299 N -1.76 1.00 0.31 0.00 2.00 -0.88 -1.20 119.66 119.13 3koy s GLN 299 Ca 0.53 -1.45 0.03 0.00 -2.00 0.00 0.00 55.36 52.47 3koy s GLN 299 Cb -0.44 -0.29 -0.03 0.00 0.80 0.00 0.00 33.01 33.05 3koy s GLN 299 CO 0.57 -0.06 0.47 -1.64 -0.50 0.00 0.00 175.29 174.14 3koy s MET 300 N -3.86 3.40 0.27 1.67 -1.94 -1.26 -4.21 119.30 113.37 3koy s MET 300 Ca 0.18 -0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 53.27 3koy s MET 300 Cb 0.05 -2.77 -0.13 0.00 2.01 0.00 0.00 34.83 34.00 3koy s MET 300 CO 0.00 0.23 1.35 -1.71 -0.01 0.00 0.00 175.02 174.88 3koy n ASN 301 N -1.64 2.67 0.00 3.03 5.15 -1.26 -4.88 115.26 118.33 3koy n ASN 301 Ca -0.06 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 3koy n ASN 301 Cb 0.57 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 3koy n ASN 301 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3koy n THR 302 N 1.35 0.00 -0.01 -0.44 -2.24 -1.26 -4.90 114.28 106.78 3koy n THR 302 Ca 0.09 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3koy n THR 302 Cb 0.33 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 3koy n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3koy h LYS 303 N 0.00 -0.00 -2.57 -0.78 3.64 -1.96 -3.33 116.57 111.56 3koy h LYS 303 Ca 0.00 0.00 -0.81 0.00 -1.27 0.00 0.00 60.65 58.57 3koy h LYS 303 Cb 0.00 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 31.55 3koy h LYS 303 CO 0.00 0.45 0.96 0.66 -2.27 0.00 0.00 179.45 179.25 3koy n TYR 304 N -4.87 2.51 -4.18 1.91 4.01 -1.26 -4.95 117.16 110.32 3koy n TYR 304 Ca -0.08 -2.57 -0.12 0.00 -0.16 0.00 0.00 57.90 54.97 3koy n TYR 304 Cb 0.24 -1.24 -0.10 0.00 -0.31 0.00 0.00 39.34 37.92 3koy n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3koy s MET 305 N -3.53 0.87 0.00 -0.72 1.75 -1.25 -4.93 119.30 111.49 3koy s MET 305 Ca 0.36 -1.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 3koy s MET 305 Cb 0.12 -0.35 0.00 0.00 2.84 0.00 0.00 34.83 37.44 3koy s MET 305 CO -0.02 0.02 0.00 0.39 -0.65 0.00 0.00 175.02 174.76 3koy n GLU 306 N 0.07 0.00 0.13 4.11 -0.58 -1.26 -4.98 120.64 118.13 3koy n GLU 306 Ca -0.13 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.73 3koy n GLU 306 Cb 0.60 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.62 3koy n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3koy h ALA 307 N 1.29 0.75 -2.56 0.62 0.00 -1.89 -3.36 119.26 114.11 3koy h ALA 307 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3koy h ALA 307 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3koy h ALA 307 CO 0.00 0.00 0.57 0.45 0.00 0.00 0.00 179.25 180.27 3koy s SER 308 N -5.26 7.06 0.08 0.00 0.15 -1.26 -4.76 113.70 109.72 3koy s SER 308 Ca 0.05 2.12 0.23 0.00 0.70 0.00 0.00 55.95 59.05 3koy s SER 308 Cb 0.09 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3koy s SER 308 CO 0.71 -0.45 0.96 0.35 1.20 0.00 0.00 173.24 176.01 3koy n THR 309 N 3.41 0.28 -0.06 6.45 -2.24 -1.26 -3.18 114.28 117.69 3koy n THR 309 Ca 0.07 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3koy n THR 309 Cb 0.45 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 3koy n THR 309 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3koy h ARG 310 N 0.00 0.41 -0.43 -0.78 2.43 -1.90 -2.54 114.38 111.57 3koy h ARG 310 Ca 0.00 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3koy h ARG 310 Cb 0.85 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 3koy h ARG 310 CO 0.00 0.81 0.13 1.49 -1.51 0.00 0.00 179.97 180.89 3koy h GLU 311 N 0.03 0.28 -0.35 0.20 4.81 -1.96 -2.53 114.58 115.05 3koy h GLU 311 Ca 0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3koy h GLU 311 Cb 0.76 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3koy h GLU 311 CO 0.05 0.18 0.15 0.00 -0.73 0.00 0.00 179.01 178.66 3koy h ALA 312 N 1.29 0.46 -0.62 2.92 0.00 -1.56 -1.95 119.26 119.80 3koy h ALA 312 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3koy h ALA 312 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3koy h ALA 312 CO -0.23 0.04 0.32 1.15 0.00 0.00 0.00 179.25 180.54 3koy h THR 313 N 0.43 1.21 -0.62 0.00 2.02 -1.34 -0.77 112.91 113.83 3koy h THR 313 Ca 0.12 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 3koy h THR 313 Cb 0.16 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3koy h THR 313 CO -0.01 0.23 0.38 0.58 0.37 0.00 0.00 175.52 177.07 3koy h VAL 314 N 0.85 1.18 -0.18 3.16 2.07 -1.18 -0.79 116.25 121.35 3koy h VAL 314 Ca 0.22 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3koy h VAL 314 Cb 0.08 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3koy h VAL 314 CO -0.03 0.18 -0.19 0.74 0.02 0.00 0.00 177.57 178.29 3koy h THR 315 N 0.84 1.22 0.00 2.57 2.02 -1.00 -2.60 112.91 115.96 3koy h THR 315 Ca 0.22 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 3koy h THR 315 Cb -0.04 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3koy h THR 315 CO -0.04 0.31 -0.42 0.45 0.37 0.00 0.00 175.52 176.19 3koy h HIS 316 N 0.29 0.00 -0.07 3.16 3.86 -0.35 0.11 115.15 122.15 3koy h HIS 316 Ca 0.05 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 3koy h HIS 316 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 3koy h HIS 316 CO 0.01 0.42 -0.79 0.28 0.86 0.00 0.00 177.93 178.71 3koy h VAL 317 N 0.00 1.37 -0.23 2.45 2.07 -0.81 -0.34 116.25 120.76 3koy h VAL 317 Ca -0.00 -2.18 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 3koy h VAL 317 Cb 0.87 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3koy h VAL 317 CO 0.05 0.66 -0.40 -0.07 0.02 0.00 0.00 177.57 177.84 3koy h LEU 318 N 0.31 0.55 -0.94 2.57 3.38 -1.13 -1.05 115.31 119.00 3koy h LEU 318 Ca -0.05 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.78 3koy h LEU 318 Cb 1.39 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3koy h LEU 318 CO 0.14 0.89 0.58 0.78 0.09 0.00 0.00 178.44 180.92 3koy h ASN 319 N 0.43 0.88 0.01 -0.43 -0.26 -0.41 -1.91 115.58 113.90 3koy h ASN 319 Ca 0.04 0.04 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 3koy h ASN 319 Cb 0.88 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3koy h ASN 319 CO 0.08 0.51 -0.41 -0.07 -1.06 0.00 0.00 177.43 176.47 3koy h LEU 320 N 0.98 0.53 -0.87 1.61 3.38 -0.58 -2.98 115.31 117.38 3koy h LEU 320 Ca 0.44 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3koy h LEU 320 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3koy h LEU 320 CO -0.23 0.88 0.14 0.25 0.09 0.00 0.00 178.44 179.58 3koy h LEU 321 N 0.41 0.93 -0.31 1.67 5.85 -0.43 0.11 115.31 123.53 3koy h LEU 321 Ca 0.03 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3koy h LEU 321 Cb 0.90 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3koy h LEU 321 CO 0.08 0.90 0.04 0.40 -0.34 0.00 0.00 178.44 179.52 3koy h ILE 322 N 0.94 0.83 -0.37 4.05 1.08 -1.29 0.57 117.51 123.31 3koy h ILE 322 Ca 0.20 -0.05 -0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3koy h ILE 322 Cb 0.34 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3koy h ILE 322 CO 0.00 0.03 -0.04 0.28 -0.69 0.00 0.00 178.15 177.73 3koy h SER 323 N 0.15 0.58 -0.49 1.72 0.02 -1.31 -2.30 113.55 111.91 3koy h SER 323 Ca 0.15 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3koy h SER 323 Cb 0.17 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3koy h SER 323 CO -0.21 0.67 -0.13 0.50 -1.14 0.00 0.00 176.83 176.53 3koy h LYS 324 N 0.57 0.98 0.00 3.45 1.63 -0.49 -2.55 116.57 120.15 3koy h LYS 324 Ca 0.11 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3koy h LYS 324 Cb 0.42 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3koy h LYS 324 CO 0.02 1.04 0.00 1.28 -3.45 0.00 0.00 179.45 178.34 3koy n LEU 325 N -4.14 0.00 0.00 5.20 4.77 0.15 -4.66 117.00 118.32 3koy n LEU 325 Ca 0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3koy n LEU 325 Cb 0.41 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3koy n LEU 325 CO 0.45 -0.05 0.00 0.35 -1.33 0.00 0.00 177.39 176.81 3koy n THR 326 N -1.48 0.00 -3.59 -5.08 -2.24 -0.91 -4.94 114.28 96.04 3koy n THR 326 Ca 0.07 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 3koy n THR 326 Cb 0.30 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 3koy n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3koy s ARG 327 N 0.51 0.85 -0.23 -0.78 3.52 -0.97 -5.03 118.95 116.81 3koy s ARG 327 Ca 0.00 0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 3koy s ARG 327 Cb 0.00 0.41 0.10 0.00 -1.56 0.00 0.00 34.95 33.90 3koy s ARG 327 CO 0.00 -0.18 0.21 0.00 -0.81 0.00 0.00 175.30 174.52 3koy s ALA 328 N -0.27 -0.09 -0.04 6.12 0.00 -1.26 -4.81 121.76 121.41 3koy s ALA 328 Ca -0.03 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 3koy s ALA 328 Cb -0.03 -1.41 -0.19 0.00 0.00 0.00 0.00 23.12 21.49 3koy s ALA 328 CO 0.03 -1.39 1.12 -0.44 0.00 0.00 0.00 175.76 175.08 3koy h ASP 329 N 8.33 -0.08 -3.66 0.00 3.32 -1.36 -3.42 116.42 119.55 3koy h ASP 329 Ca -0.16 -0.46 -0.68 0.00 0.02 0.00 0.00 57.03 55.74 3koy h ASP 329 Cb 1.11 0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3koy h ASP 329 CO 0.32 0.45 -0.70 -0.63 -1.72 0.00 0.00 179.24 176.96 3koy s ILE 330 N -3.92 3.63 -0.31 0.35 1.01 -0.71 -2.95 121.20 118.31 3koy s ILE 330 Ca -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3koy s ILE 330 Cb 0.01 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 40.04 3koy s ILE 330 CO 0.61 0.59 0.01 -1.58 0.00 0.00 0.00 174.94 174.57 3koy s GLN 331 N -0.67 2.38 0.59 2.79 2.00 0.78 -1.84 119.66 125.69 3koy s GLN 331 Ca 0.10 -1.31 -0.06 0.00 -2.00 0.00 0.00 55.36 52.09 3koy s GLN 331 Cb -0.11 -3.20 0.01 0.00 0.80 0.00 0.00 33.01 30.51 3koy s GLN 331 CO 0.02 -0.65 0.91 -1.12 -0.50 0.00 0.00 175.29 173.94 3koy s SER 332 N 1.28 5.61 0.03 6.67 0.01 -0.34 -1.72 113.70 125.24 3koy s SER 332 Ca -0.04 0.74 0.03 0.00 1.31 0.00 0.00 55.95 57.99 3koy s SER 332 Cb -0.20 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 3koy s SER 332 CO -0.01 -1.06 -0.09 0.42 0.41 0.00 0.00 173.24 172.91 3koy s THR 333 N -3.00 0.69 0.02 1.44 -4.23 -1.22 -4.30 115.64 105.05 3koy s THR 333 Ca 0.54 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 3koy s THR 333 Cb -0.11 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 3koy s THR 333 CO 0.45 -0.13 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.76 3koy s ILE 334 N -0.88 4.03 0.33 2.99 -1.09 -1.26 -4.58 121.20 120.73 3koy s ILE 334 Ca -0.03 -0.72 -0.26 0.00 -2.23 0.00 0.00 60.65 57.40 3koy s ILE 334 Cb -0.07 -2.82 -0.09 0.00 -1.58 0.00 0.00 42.46 37.90 3koy s ILE 334 CO 0.01 0.32 1.00 0.42 -1.23 0.00 0.00 174.94 175.45 3koy s THR 335 N -1.12 3.94 0.08 2.92 -4.23 -1.26 -4.67 115.64 111.31 3koy s THR 335 Ca 0.20 1.64 0.30 0.00 -1.18 0.00 0.00 61.69 62.66 3koy s THR 335 Cb -0.11 -3.93 0.31 0.00 1.34 0.00 0.00 72.50 70.11 3koy s THR 335 CO 0.12 0.16 1.93 -0.65 -0.54 0.00 0.00 174.62 175.64 3koy h PRO 336 N 3.14 0.00 -0.01 3.99 0.11 -1.90 -2.49 132.00 134.83 3koy h PRO 336 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3koy h PRO 336 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3koy h PRO 336 CO 0.65 0.00 -0.67 -0.40 -0.21 0.00 0.00 178.00 177.37 3koy n ASP 337 N -2.59 1.60 -0.33 -2.05 5.75 -1.26 -4.24 116.55 113.44 3koy n ASP 337 Ca -0.01 -1.30 0.25 0.00 -0.01 0.00 0.00 54.79 53.71 3koy n ASP 337 Cb 0.09 0.68 0.47 0.00 -1.03 0.00 0.00 41.12 41.33 3koy n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3koy h GLU 338 N 1.45 0.05 -0.00 0.11 4.22 -1.64 0.16 114.58 118.94 3koy h GLU 338 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3koy h GLU 338 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3koy h GLU 338 CO 0.00 0.04 -0.15 0.41 -2.18 0.00 0.00 179.01 177.13 3koy n GLY 339 N -1.34 -1.23 0.09 1.92 0.00 -1.26 -4.04 105.19 99.33 3koy n GLY 339 Ca 0.32 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3koy n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3koy n ARG 340 N -1.28 0.56 -3.83 1.61 0.63 0.49 -4.47 116.66 110.38 3koy n ARG 340 Ca 0.10 0.10 -0.04 0.00 -0.92 0.00 0.00 57.85 57.08 3koy n ARG 340 Cb 0.31 -1.37 0.02 0.00 0.45 0.00 0.00 32.46 31.87 3koy n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3koy n ASN 341 N -3.00 -1.85 -4.76 6.15 6.94 -0.76 -4.95 115.26 113.03 3koy n ASN 341 Ca -0.32 -2.06 -0.40 0.00 -0.02 0.00 0.00 54.58 51.78 3koy n ASN 341 Cb 0.86 3.04 -0.04 0.00 -2.36 0.00 0.00 39.78 41.28 3koy n ASN 341 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3koy s VAL 342 N -2.07 3.38 -0.04 3.53 1.01 -1.26 -4.33 120.40 120.62 3koy s VAL 342 Ca 0.21 1.33 -0.33 0.00 0.00 0.00 0.00 61.98 63.20 3koy s VAL 342 Cb -0.03 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 3koy s VAL 342 CO 0.07 0.27 1.89 -2.65 0.00 0.00 0.00 175.10 174.69 3koy n PRO 343 N 0.90 2.38 -2.37 2.72 -0.02 -1.26 -4.98 135.00 132.37 3koy n PRO 343 Ca 0.00 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 62.06 3koy n PRO 343 Cb 0.45 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3koy n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3koy s TRP 344 N 4.02 3.56 0.15 6.00 0.51 -1.26 -4.85 118.94 127.07 3koy s TRP 344 Ca 0.91 1.11 -0.26 0.00 -2.12 0.00 0.00 56.10 55.74 3koy s TRP 344 Cb -0.62 -2.54 0.01 0.00 -0.81 0.00 0.00 33.47 29.51 3koy s TRP 344 CO 0.48 -0.41 1.58 0.45 -0.51 0.00 0.00 176.95 178.55 3koy h HIS 345 N 0.31 -1.11 -0.10 -1.98 3.86 -1.58 -2.35 115.15 112.20 3koy h HIS 345 Ca -0.46 0.06 0.03 0.00 -1.16 0.00 0.00 60.37 58.84 3koy h HIS 345 Cb 1.19 0.54 -0.00 0.00 1.06 0.00 0.00 27.41 30.20 3koy h HIS 345 CO 0.62 -0.42 0.13 -0.84 0.86 0.00 0.00 177.93 178.28 3koy h ILE 346 N -0.33 0.40 0.09 2.45 3.07 -1.95 -1.90 117.51 119.35 3koy h ILE 346 Ca 0.14 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.25 3koy h ILE 346 Cb 0.57 0.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 3koy h ILE 346 CO -0.53 0.00 -1.59 1.88 -1.05 0.00 0.00 178.15 176.86 3koy h TYR 347 N 0.00 0.35 -0.44 0.16 0.05 -1.83 -0.70 116.97 114.56 3koy h TYR 347 Ca 0.05 -0.25 0.07 0.00 0.05 0.00 0.00 58.73 58.64 3koy h TYR 347 Cb 0.30 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3koy h TYR 347 CO 0.00 1.34 0.30 -0.91 -1.05 0.00 0.00 178.16 177.84 3koy h ASN 348 N 0.05 0.27 -0.14 3.88 4.21 -1.19 -0.07 115.58 122.59 3koy h ASN 348 Ca -0.26 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.16 3koy h ASN 348 Cb 2.00 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 39.15 3koy h ASN 348 CO 0.14 0.18 -0.28 0.40 -1.29 0.00 0.00 177.43 176.58 3koy h ILE 349 N 0.31 1.37 -0.29 2.81 5.03 -1.22 -2.40 117.51 123.12 3koy h ILE 349 Ca 0.19 -1.54 0.07 0.00 -0.12 0.00 0.00 64.86 63.46 3koy h ILE 349 Cb 0.37 2.01 -0.08 0.00 -3.03 0.00 0.00 36.82 36.10 3koy h ILE 349 CO -0.04 0.46 -0.29 -0.33 -0.68 0.00 0.00 178.15 177.26 3koy h GLU 350 N 0.04 -0.27 -0.56 2.37 5.08 -0.53 0.81 114.58 121.52 3koy h GLU 350 Ca 0.01 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3koy h GLU 350 Cb 0.87 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 3koy h GLU 350 CO 0.06 -0.18 -0.26 0.00 -1.00 0.00 0.00 179.01 177.63 3koy h ALA 351 N 0.70 0.10 -0.55 3.43 0.00 -1.04 0.35 119.26 122.26 3koy h ALA 351 Ca 0.14 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3koy h ALA 351 Cb 0.51 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3koy h ALA 351 CO -0.45 -0.59 0.11 0.00 0.00 0.00 0.00 179.25 178.32 3koy h ASP 353 N 0.83 0.28 -0.38 0.00 3.32 -0.02 -2.98 116.42 117.46 3koy h ASP 353 Ca 0.18 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.82 3koy h ASP 353 Cb 0.34 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3koy h ASP 353 CO 0.00 0.64 0.22 0.74 -1.72 0.00 0.00 179.24 179.13 3koy h THR 354 N -0.08 1.04 -0.61 0.35 2.02 -0.08 -0.15 112.91 115.41 3koy h THR 354 Ca 0.03 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3koy h THR 354 Cb 0.54 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3koy h THR 354 CO 0.02 0.08 0.06 0.00 0.37 0.00 0.00 175.52 176.06 3koy h ALA 355 N 1.17 0.96 0.00 6.16 0.00 -1.25 -1.33 119.26 124.97 3koy h ALA 355 Ca 0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3koy h ALA 355 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3koy h ALA 355 CO -0.07 0.64 -0.50 1.57 0.00 0.00 0.00 179.25 180.89 3koy h LYS 356 N 0.94 0.00 0.18 0.00 2.10 -1.35 -2.50 116.57 115.95 3koy h LYS 356 Ca 0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 3koy h LYS 356 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3koy h LYS 356 CO 0.02 0.34 -0.09 0.37 -2.00 0.00 0.00 179.45 178.09 3koy h GLN 357 N 0.00 -0.24 0.93 0.07 4.15 -0.71 -0.49 115.11 118.82 3koy h GLN 357 Ca -0.02 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3koy h GLN 357 Cb 1.30 0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.05 3koy h GLN 357 CO 0.04 0.14 -0.45 0.00 -1.93 0.00 0.00 178.83 176.64 3koy h ALA 358 N -0.01 -1.25 -0.84 3.38 0.00 -1.37 -1.85 119.26 117.33 3koy h ALA 358 Ca -0.03 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 54.82 3koy h ALA 358 Cb 0.49 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 3koy h ALA 358 CO 0.04 -1.16 0.21 -0.07 0.00 0.00 0.00 179.25 178.27 3koy h LEU 359 N -1.33 -0.02 -0.56 0.00 3.38 -1.53 -0.68 115.31 114.57 3koy h LEU 359 Ca -0.13 0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3koy h LEU 359 Cb 0.96 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3koy h LEU 359 CO 0.21 -0.12 -0.36 0.40 0.09 0.00 0.00 178.44 178.66 3koy h ILE 360 N 0.22 1.28 -0.20 1.22 1.08 -0.94 -2.49 117.51 117.68 3koy h ILE 360 Ca 0.51 -1.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.39 3koy h ILE 360 Cb 0.98 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 3koy h ILE 360 CO -0.62 0.50 -0.16 1.23 -0.69 0.00 0.00 178.15 178.41 3koy h GLY 361 N 0.93 0.36 -0.07 5.37 0.00 -0.36 -1.51 103.07 107.79 3koy h GLY 361 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3koy h GLY 361 CO 0.08 0.23 0.00 1.03 0.00 0.00 0.00 176.54 177.88 3koy n MET 362 N -4.21 1.10 -1.68 4.80 2.81 -0.38 -4.91 117.12 114.65 3koy n MET 362 Ca -0.00 -0.16 -0.45 0.00 -1.81 0.00 0.00 57.70 55.27 3koy n MET 362 Cb 0.31 -1.08 -0.04 0.00 -0.71 0.00 0.00 33.22 31.70 3koy n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3koy n ASP 363 N -0.42 3.36 0.00 7.83 2.03 -0.57 -1.40 116.55 127.38 3koy n ASP 363 Ca 0.04 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.40 3koy n ASP 363 Cb 0.05 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 3koy n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koy n GLY 364 N 3.70 1.86 0.36 0.27 0.00 -1.26 -4.86 105.19 105.25 3koy n GLY 364 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 3koy n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3koy h LEU 365 N 0.00 0.71 0.00 0.99 5.85 -1.59 0.14 115.31 121.41 3koy h LEU 365 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3koy h LEU 365 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3koy h LEU 365 CO 0.00 0.21 0.00 0.23 -0.34 0.00 0.00 178.44 178.54 3koy n MET 366 N -4.78 0.92 0.06 1.25 2.81 -1.26 -0.94 117.12 115.17 3koy n MET 366 Ca 0.24 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 3koy n MET 366 Cb 0.65 -1.14 0.13 0.00 -0.71 0.00 0.00 33.22 32.15 3koy n MET 366 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3koy h ASP 367 N 0.00 0.00 -0.00 7.83 3.32 -1.13 -3.37 116.42 123.07 3koy h ASP 367 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3koy h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3koy h ASP 367 CO 0.00 0.12 -0.07 0.23 -1.72 0.00 0.00 179.24 177.80 3koy n MET 368 N -2.11 5.83 -3.82 3.56 2.81 -0.12 -5.01 117.12 118.25 3koy n MET 368 Ca 0.03 -0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 3koy n MET 368 Cb 0.45 -0.62 -0.15 0.00 -0.71 0.00 0.00 33.22 32.19 3koy n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3koy s VAL 369 N -1.08 -0.03 0.29 2.03 1.01 -0.31 -5.13 120.40 117.18 3koy s VAL 369 Ca 0.01 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3koy s VAL 369 Cb 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 36.38 36.29 3koy s VAL 369 CO 0.07 0.04 0.05 0.00 0.00 0.00 0.00 175.10 175.26 3koy s GLN 370 N 0.53 1.52 0.19 2.72 -2.07 -1.26 -4.37 119.66 116.91 3koy s GLN 370 Ca -0.04 -1.82 -0.26 0.00 -1.82 0.00 0.00 55.36 51.42 3koy s GLN 370 Cb -0.06 -0.68 -0.08 0.00 -1.09 0.00 0.00 33.01 31.09 3koy s GLN 370 CO -0.01 -0.18 0.80 -0.51 -1.32 0.00 0.00 175.29 174.07 3koy s LEU 371 N -3.40 4.57 -1.40 2.60 1.43 -1.26 -4.96 118.68 116.26 3koy s LEU 371 Ca 0.35 1.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.97 3koy s LEU 371 Cb 0.08 -3.40 0.04 0.00 0.03 0.00 0.00 46.19 42.94 3koy s LEU 371 CO 0.13 0.18 2.10 0.29 0.23 0.00 0.00 176.35 179.28 3koy n LYS 372 N 1.46 2.88 0.04 1.70 5.02 -1.26 -4.77 118.16 123.23 3koy n LYS 372 Ca -0.05 -2.74 -0.08 0.00 -2.02 0.00 0.00 58.31 53.42 3koy n LYS 372 Cb 0.49 -3.33 0.07 0.00 -0.02 0.00 0.00 35.03 32.23 3koy n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3koy h ARG 373 N 6.46 0.42 -2.43 1.97 9.65 -1.97 -3.26 114.38 125.21 3koy h ARG 373 Ca 0.53 -0.29 -0.67 0.00 -1.10 0.00 0.00 59.98 58.45 3koy h ARG 373 Cb 0.70 0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 29.18 3koy h ARG 373 CO 1.78 0.90 1.81 0.39 2.80 0.00 0.00 179.97 187.65 3koy n GLU 374 N -3.90 3.99 0.00 0.20 -0.58 -1.26 -2.86 120.64 116.22 3koy n GLU 374 Ca -0.03 -3.16 0.00 0.00 -0.42 0.00 0.00 57.16 53.54 3koy n GLU 374 Cb 0.63 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 3koy n GLU 374 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3koy n GLY 375 N 1.44 3.98 0.36 0.62 0.00 -1.23 -4.96 105.19 105.40 3koy n GLY 375 Ca 0.58 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 3koy n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3koy h VAL 376 N 0.00 1.25 -0.71 1.61 3.04 -1.89 -0.43 116.25 119.12 3koy h VAL 376 Ca 0.00 -0.53 0.12 0.00 -1.01 0.00 0.00 66.70 65.27 3koy h VAL 376 Cb 0.00 -0.03 -0.08 0.00 -2.01 0.00 0.00 31.29 29.17 3koy h VAL 376 CO 0.00 0.26 0.31 0.25 -1.01 0.00 0.00 177.57 177.37 3koy h LEU 377 N 1.24 0.33 -1.04 3.16 5.85 -1.86 0.64 115.31 123.63 3koy h LEU 377 Ca 0.32 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.05 3koy h LEU 377 Cb -0.06 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3koy h LEU 377 CO -0.06 0.17 -0.21 1.23 -0.34 0.00 0.00 178.44 179.22 3koy h GLY 378 N 0.49 0.46 1.01 3.75 0.00 -1.15 -1.65 103.07 105.97 3koy h GLY 378 Ca 0.37 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3koy h GLY 378 CO -0.34 0.32 0.13 -0.55 0.00 0.00 0.00 176.54 176.11 3koy h ASP 379 N 0.38 0.87 0.29 0.19 3.32 0.66 -2.20 116.42 119.93 3koy h ASP 379 Ca 0.06 -0.24 -0.19 0.00 0.02 0.00 0.00 57.03 56.69 3koy h ASP 379 Cb 0.59 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3koy h ASP 379 CO 0.04 0.88 -0.76 0.74 -1.72 0.00 0.00 179.24 178.43 3koy h THR 380 N 0.82 1.39 -0.15 0.35 2.02 -0.95 -2.65 112.91 113.73 3koy h THR 380 Ca 0.18 -2.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.16 3koy h THR 380 Cb 0.36 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3koy h THR 380 CO 0.00 0.66 0.09 0.58 0.37 0.00 0.00 175.52 177.22 3koy h VAL 381 N 0.26 1.08 -0.76 3.16 2.07 -1.07 -0.77 116.25 120.21 3koy h VAL 381 Ca -0.04 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3koy h VAL 381 Cb 1.34 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 3koy h VAL 381 CO 0.13 0.08 0.45 -0.09 0.02 0.00 0.00 177.57 178.16 3koy h ARG 382 N 0.17 0.81 0.72 1.57 9.65 -1.40 -1.90 114.38 123.99 3koy h ARG 382 Ca 0.06 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3koy h ARG 382 Cb 0.04 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.44 3koy h ARG 382 CO -0.01 0.54 -0.40 1.49 2.80 0.00 0.00 179.97 184.39 3koy h GLU 383 N 0.83 -0.99 -0.66 0.20 4.81 -1.00 -1.00 114.58 116.78 3koy h GLU 383 Ca 0.34 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 3koy h GLU 383 Cb 0.17 0.22 -0.13 0.00 0.63 0.00 0.00 28.75 29.65 3koy h GLU 383 CO -0.17 -0.66 -0.27 -0.07 -0.73 0.00 0.00 179.01 177.11 3koy h LEU 384 N -1.03 -0.95 -0.99 1.64 3.38 -1.08 0.19 115.31 116.48 3koy h LEU 384 Ca -0.10 0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.27 3koy h LEU 384 Cb 0.81 0.52 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 3koy h LEU 384 CO 0.13 -0.27 0.59 0.11 0.09 0.00 0.00 178.44 179.09 3koy h LYS 385 N -0.09 0.77 -0.22 1.13 1.57 -1.26 -0.41 116.57 118.06 3koy h LYS 385 Ca 0.29 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 3koy h LYS 385 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3koy h LYS 385 CO -0.71 0.51 -0.40 0.93 -0.57 0.00 0.00 179.45 179.20 3koy h GLU 386 N 0.79 0.66 -0.26 3.15 5.08 0.68 -0.99 114.58 123.68 3koy h GLU 386 Ca 0.55 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3koy h GLU 386 Cb 0.80 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3koy h GLU 386 CO -0.36 1.03 -0.01 0.00 -1.00 0.00 0.00 179.01 178.68 3koy h ARG 387 N 0.35 0.39 0.05 2.33 3.08 -0.55 0.28 114.38 120.32 3koy h ARG 387 Ca 0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3koy h ARG 387 Cb 1.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3koy h ARG 387 CO 0.09 0.43 -0.02 0.00 -1.07 0.00 0.00 179.97 179.39 3koy h ALA 388 N 1.62 -0.07 -0.79 0.04 0.00 -0.95 -0.70 119.26 118.41 3koy h ALA 388 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3koy h ALA 388 Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3koy h ALA 388 CO 0.01 -0.39 0.42 0.28 0.00 0.00 0.00 179.25 179.57 3koy h VAL 389 N -0.37 1.23 -0.17 0.00 2.07 -0.88 -2.19 116.25 115.95 3koy h VAL 389 Ca -0.01 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3koy h VAL 389 Cb 0.34 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3koy h VAL 389 CO 0.01 0.26 0.07 -0.07 0.02 0.00 0.00 177.57 177.86 3koy h LEU 390 N 1.10 0.24 -0.65 2.57 3.38 -0.86 -1.60 115.31 119.49 3koy h LEU 390 Ca 0.28 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.21 3koy h LEU 390 Cb 0.03 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 3koy h LEU 390 CO -0.04 0.34 -0.22 0.15 0.09 0.00 0.00 178.44 178.75 3koy h PHE 391 N 0.12 -0.53 0.00 1.13 -0.00 -0.73 0.02 116.94 116.95 3koy h PHE 391 Ca 0.06 0.06 -0.07 0.00 -0.00 0.00 0.00 57.97 58.02 3koy h PHE 391 Cb 0.17 0.34 -0.01 0.00 -0.00 0.00 0.00 35.95 36.45 3koy h PHE 391 CO -0.01 -0.32 -0.34 0.52 -0.00 0.00 0.00 178.31 178.15 3koy h MET 392 N -0.05 0.00 -0.63 1.11 2.86 -1.05 -2.26 114.93 114.92 3koy h MET 392 Ca 0.30 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 3koy h MET 392 Cb 0.52 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3koy h MET 392 CO -0.70 0.34 0.18 0.93 1.06 0.00 0.00 176.91 178.73 3koy h GLU 393 N 0.00 0.96 0.00 1.72 5.08 -0.03 -2.84 114.58 119.47 3koy h GLU 393 Ca -0.00 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3koy h GLU 393 Cb 0.75 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3koy h GLU 393 CO 0.04 0.83 -0.33 1.49 -1.00 0.00 0.00 179.01 180.04 3koy h GLU 394 N 0.93 0.00 -0.04 2.33 4.81 -0.77 -1.76 114.58 120.06 3koy h GLU 394 Ca 0.20 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3koy h GLU 394 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3koy h GLU 394 CO -0.01 0.33 0.01 0.82 -0.73 0.00 0.00 179.01 179.44 3koy h ILE 395 N 0.00 1.16 -0.92 2.32 2.04 -1.26 -1.24 117.51 119.61 3koy h ILE 395 Ca -0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3koy h ILE 395 Cb 0.93 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3koy h ILE 395 CO 0.04 0.13 0.60 0.40 0.00 0.00 0.00 178.15 179.32 3koy h ILE 396 N -0.12 1.24 0.00 -0.67 2.04 -1.45 0.83 117.51 119.38 3koy h ILE 396 Ca 0.01 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3koy h ILE 396 Cb 0.20 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3koy h ILE 396 CO -0.00 0.24 -0.24 -0.08 0.00 0.00 0.00 178.15 178.07 3koy h GLU 397 N 1.26 0.00 -0.00 2.37 4.81 -1.16 -1.43 114.58 120.42 3koy h GLU 397 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3koy h GLU 397 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3koy h GLU 397 CO -0.07 0.24 -0.20 0.00 -0.73 0.00 0.00 179.01 178.25 3koy n ALA 398 N -2.24 2.90 0.00 2.92 0.00 -0.48 -4.94 120.51 118.66 3koy n ALA 398 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3koy n ALA 398 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3koy n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3koy n GLY 399 N 1.38 1.20 0.00 0.00 0.00 -0.54 -4.76 105.19 102.47 3koy n GLY 399 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3koy n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 400 N -0.68 1.63 0.11 -0.02 0.00 0.25 -4.79 105.19 101.69 3koy n GLY 400 Ca 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 46.02 43.69 3koy n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3koy h TYR 401 N 0.00 -0.10 -0.04 1.61 3.20 -1.98 -1.19 116.97 118.47 3koy h TYR 401 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3koy h TYR 401 Cb 0.00 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3koy h TYR 401 CO 0.00 -0.08 -0.30 0.74 -1.64 0.00 0.00 178.16 176.88 3koy h PHE 402 N 0.01 -0.83 -0.78 -3.82 0.04 -1.96 -1.47 116.94 108.14 3koy h PHE 402 Ca 0.10 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.92 3koy h PHE 402 Cb 0.15 0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3koy h PHE 402 CO -0.22 -0.39 0.50 -0.91 -0.60 0.00 0.00 178.31 176.69 3koy h ASN 403 N -0.43 0.85 -0.84 2.17 -0.26 -1.79 0.31 115.58 115.59 3koy h ASN 403 Ca 0.07 -0.01 0.16 0.00 -0.56 0.00 0.00 56.30 55.96 3koy h ASN 403 Cb 0.53 -0.20 -0.10 0.00 -1.06 0.00 0.00 38.32 37.49 3koy h ASN 403 CO -0.28 0.60 0.41 0.00 -1.06 0.00 0.00 177.43 177.10 3koy h ALA 404 N 1.30 1.27 0.00 -0.83 0.00 -0.68 0.22 119.26 120.55 3koy h ALA 404 Ca 0.30 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 3koy h ALA 404 Cb -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3koy h ALA 404 CO -0.09 -0.14 -0.86 0.28 0.00 0.00 0.00 179.25 178.45 3koy h VAL 405 N 0.57 1.54 -0.12 0.00 2.07 -0.17 -1.35 116.25 118.79 3koy h VAL 405 Ca 0.47 -2.73 -0.12 0.00 0.82 0.00 0.00 66.70 65.14 3koy h VAL 405 Cb 0.70 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3koy h VAL 405 CO -0.39 0.79 -0.45 -0.33 0.02 0.00 0.00 177.57 177.21 3koy h GLU 406 N 0.05 0.28 -0.01 1.57 5.08 -0.08 -2.43 114.58 119.04 3koy h GLU 406 Ca -0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3koy h GLU 406 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 3koy h GLU 406 CO 0.12 0.68 -0.02 1.04 -1.00 0.00 0.00 179.01 179.83 3koy n GLN 407 N -4.00 1.27 -1.90 2.33 6.02 0.67 -4.62 117.38 117.17 3koy n GLN 407 Ca -0.02 -0.52 -0.01 0.00 -0.01 0.00 0.00 57.00 56.45 3koy n GLN 407 Cb 0.51 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.28 3koy n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3koy n GLY 408 N 1.13 0.34 0.29 1.08 0.00 -0.72 -4.94 105.19 102.37 3koy n GLY 408 Ca 0.20 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.44 3koy n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3koy h PHE 409 N 0.00 0.12 -3.28 1.61 -1.00 -1.53 -3.39 116.94 109.48 3koy h PHE 409 Ca -0.03 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.19 3koy h PHE 409 Cb 0.90 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.38 3koy h PHE 409 CO 0.03 0.08 -0.12 -0.06 -1.61 0.00 0.00 178.31 176.63 3koy s PHE 410 N -5.17 3.59 -0.81 -0.55 0.08 -1.26 -4.24 117.98 109.62 3koy s PHE 410 Ca -0.06 0.98 -0.05 0.00 0.12 0.00 0.00 56.93 57.93 3koy s PHE 410 Cb 0.17 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3koy s PHE 410 CO 0.69 0.44 0.64 0.28 -0.10 0.00 0.00 175.22 177.17 3koy n VAL 411 N 0.76 -1.66 -3.31 -0.44 0.31 -1.26 -1.18 118.33 111.55 3koy n VAL 411 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 3koy n VAL 411 Cb 0.52 -2.88 -0.06 0.00 -0.91 0.00 0.00 33.84 30.50 3koy n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3koy s ASP 412 N -3.13 6.60 0.41 4.52 2.15 -1.26 -3.78 116.67 122.18 3koy s ASP 412 Ca 0.32 0.71 0.22 0.00 0.43 0.00 0.00 52.55 54.23 3koy s ASP 412 Cb -0.14 -2.28 1.20 0.00 -0.30 0.00 0.00 42.92 41.40 3koy s ASP 412 CO 0.39 -0.08 1.64 0.77 -0.17 0.00 0.00 175.17 177.72 3koy h SER 413 N 7.09 0.00 -4.17 -0.34 4.64 -1.94 -3.44 113.55 115.39 3koy h SER 413 Ca -0.38 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.45 3koy h SER 413 Cb 1.17 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3koy h SER 413 CO 0.74 0.00 0.34 -0.83 -0.87 0.00 0.00 176.83 176.21 3koy s GLY 414 N -3.48 1.62 -1.01 -0.77 0.00 -1.26 -4.63 107.32 97.78 3koy s GLY 414 Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 3koy s GLY 414 CO 0.20 -0.01 1.08 -0.47 0.00 0.00 0.00 173.10 173.90 3koy s TYR 415 N -3.12 3.71 0.08 1.90 5.04 -1.24 -4.70 117.35 119.02 3koy s TYR 415 Ca 0.54 -2.09 -0.29 0.00 -2.44 0.00 0.00 57.07 52.80 3koy s TYR 415 Cb -0.11 -4.03 -0.16 0.00 0.35 0.00 0.00 41.96 38.02 3koy s TYR 415 CO 0.51 -1.17 0.69 0.98 -1.34 0.00 0.00 175.55 175.22 3koy n TYR 416 N 4.52 0.11 0.95 4.97 9.36 -1.26 -1.91 117.16 133.89 3koy n TYR 416 Ca 0.23 0.85 0.10 0.00 3.32 0.00 0.00 57.90 62.41 3koy n TYR 416 Cb 0.44 -1.70 0.52 0.00 -0.63 0.00 0.00 39.34 37.97 3koy n TYR 416 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3koy n PRO 417 N 1.07 0.24 -1.67 2.98 -0.02 -1.26 -4.90 135.00 131.44 3koy n PRO 417 Ca 0.16 0.10 -0.48 0.00 -2.02 0.00 0.00 63.50 61.26 3koy n PRO 417 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 3koy n PRO 417 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3koy n GLU 418 N -1.33 2.03 -4.00 -0.52 2.13 -0.80 -4.98 120.64 113.16 3koy n GLU 418 Ca 0.09 0.74 -0.31 0.00 0.66 0.00 0.00 57.16 58.34 3koy n GLU 418 Cb 0.19 -2.52 -0.16 0.00 0.27 0.00 0.00 31.44 29.22 3koy n GLU 418 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3koy s ARG 419 N 2.13 2.09 0.00 5.31 3.52 -1.26 -3.73 118.95 127.01 3koy s ARG 419 Ca 0.85 -0.81 0.27 0.00 -0.13 0.00 0.00 55.73 55.91 3koy s ARG 419 Cb -0.73 -2.38 1.14 0.00 -1.56 0.00 0.00 34.95 31.42 3koy s ARG 419 CO 0.45 -0.40 1.79 0.09 -0.81 0.00 0.00 175.30 176.42 3koy n ASN 420 N 4.69 1.22 -0.44 -2.12 3.02 -1.26 -4.92 115.26 115.44 3koy n ASN 420 Ca -0.15 -1.45 -0.06 0.00 -0.03 0.00 0.00 54.58 52.89 3koy n ASN 420 Cb 0.47 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 3koy n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3koy n GLY 421 N 1.12 0.74 0.46 7.41 0.00 -1.26 -4.87 105.19 108.79 3koy n GLY 421 Ca 0.19 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3koy n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3koy n ASP 422 N -0.25 3.02 -4.21 1.61 5.75 -1.26 -5.04 116.55 116.17 3koy n ASP 422 Ca -0.06 -3.08 -0.30 0.00 -0.01 0.00 0.00 54.79 51.34 3koy n ASP 422 Cb 0.34 -0.49 0.18 0.00 -1.03 0.00 0.00 41.12 40.12 3koy n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3koy s GLY 423 N -2.46 1.74 -0.13 6.12 0.00 -1.25 -4.69 107.32 106.64 3koy s GLY 423 Ca 0.37 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 3koy s GLY 423 CO 0.05 -0.36 0.74 -0.42 0.00 0.00 0.00 173.10 173.11 3koy s ILE 424 N -3.77 4.97 -0.24 0.90 -1.09 -0.33 -4.94 121.20 116.70 3koy s ILE 424 Ca 0.72 1.47 -0.04 0.00 -2.23 0.00 0.00 60.65 60.58 3koy s ILE 424 Cb -0.05 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3koy s ILE 424 CO 0.53 0.13 -0.02 0.00 -1.23 0.00 0.00 174.94 174.35 3koy s ALA 425 N 1.57 2.83 0.01 9.38 0.00 -1.26 -4.27 121.76 130.01 3koy s ALA 425 Ca 0.36 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3koy s ALA 425 Cb -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3koy s ALA 425 CO 0.14 -0.65 0.00 1.03 0.00 0.00 0.00 175.76 176.29 3koy s ARG 426 N 1.44 2.76 -0.12 0.00 1.81 -0.94 -4.98 118.95 118.92 3koy s ARG 426 Ca 0.03 -0.63 -0.10 0.00 -1.72 0.00 0.00 55.73 53.32 3koy s ARG 426 Cb -0.16 -2.66 -0.05 0.00 -0.45 0.00 0.00 34.95 31.64 3koy s ARG 426 CO -0.03 0.62 0.20 -0.65 -0.68 0.00 0.00 175.30 174.76 3koy s GLN 427 N -1.62 3.76 0.63 3.54 1.11 -1.26 -3.29 119.66 122.53 3koy s GLN 427 Ca 0.20 -0.04 0.41 0.00 0.01 0.00 0.00 55.36 55.94 3koy s GLN 427 Cb -0.12 -3.27 2.23 0.00 -1.01 0.00 0.00 33.01 30.85 3koy s GLN 427 CO 0.11 0.61 2.26 -0.84 0.01 0.00 0.00 175.29 177.43 3koy h ILE 428 N 4.16 0.00 -0.80 1.08 3.07 -1.97 0.16 117.51 123.20 3koy h ILE 428 Ca -0.50 0.00 -0.40 0.00 1.55 0.00 0.00 64.86 65.51 3koy h ILE 428 Cb 1.20 0.91 -0.41 0.00 -0.27 0.00 0.00 36.82 38.25 3koy h ILE 428 CO 0.64 0.00 -1.00 -0.46 -1.05 0.00 0.00 178.15 176.28 3koy n ASN 429 N -2.97 2.90 -1.67 2.16 0.23 -1.26 -4.45 115.26 110.20 3koy n ASN 429 Ca -0.03 -2.88 -0.03 0.00 -0.53 0.00 0.00 54.58 51.12 3koy n ASN 429 Cb 0.10 -0.45 -0.01 0.00 -2.08 0.00 0.00 39.78 37.34 3koy n ASN 429 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3koy n GLY 430 N -0.49 3.99 0.00 4.83 0.00 0.04 -4.84 105.19 108.72 3koy n GLY 430 Ca 0.22 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3koy n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 431 N 1.69 -0.89 3.60 -0.02 0.00 -1.26 -4.32 105.19 103.98 3koy n GLY 431 Ca -0.00 -1.62 -0.56 0.00 0.00 0.00 0.00 46.02 43.84 3koy n GLY 431 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3koy n ILE 432 N -0.69 0.05 -3.14 -0.61 2.08 -0.08 -2.39 119.36 114.57 3koy n ILE 432 Ca 0.00 -0.01 -0.15 0.00 0.56 0.00 0.00 62.75 63.16 3koy n ILE 432 Cb 0.00 -0.66 0.06 0.00 -0.75 0.00 0.00 39.64 38.29 3koy n ILE 432 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3koy n GLY 433 N 2.61 -0.07 3.81 7.39 0.00 -1.26 -1.43 105.19 116.23 3koy n GLY 433 Ca 0.21 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3koy n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy s ALA 434 N -3.23 3.06 -1.25 4.61 0.00 -1.01 -3.87 121.76 120.08 3koy s ALA 434 Ca 0.26 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3koy s ALA 434 Cb -0.11 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3koy s ALA 434 CO 0.49 0.11 0.84 0.41 0.00 0.00 0.00 175.76 177.61 3koy n GLY 435 N -0.38 -0.36 0.10 0.00 0.00 -1.26 -4.86 105.19 98.42 3koy n GLY 435 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3koy n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3koy n THR 436 N -4.56 1.18 -2.94 2.61 -2.24 -1.25 -4.98 114.28 102.10 3koy n THR 436 Ca -0.03 -1.24 -0.41 0.00 -2.27 0.00 0.00 64.05 60.10 3koy n THR 436 Cb 0.57 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3koy n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3koy s VAL 437 N -1.36 4.89 -0.09 2.28 1.01 -1.26 -5.04 120.40 120.83 3koy s VAL 437 Ca 0.09 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 3koy s VAL 437 Cb 0.07 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3koy s VAL 437 CO 0.02 -0.00 -0.04 -0.36 0.00 0.00 0.00 175.10 174.72 3koy s PHE 438 N 2.42 3.02 0.42 5.22 0.08 -1.26 -5.11 117.98 122.76 3koy s PHE 438 Ca 0.35 0.01 -0.24 0.00 0.12 0.00 0.00 56.93 57.17 3koy s PHE 438 Cb -0.16 -1.78 -0.08 0.00 -0.57 0.00 0.00 43.02 40.43 3koy s PHE 438 CO 0.10 0.30 1.12 -2.00 -0.10 0.00 0.00 175.22 174.63 3koy s GLU 439 N -0.60 4.00 -0.05 0.44 2.12 -1.26 -5.01 118.70 118.34 3koy s GLU 439 Ca 0.09 1.68 -0.26 0.00 0.36 0.00 0.00 54.97 56.85 3koy s GLU 439 Cb -0.12 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 3koy s GLU 439 CO 0.02 -0.33 0.80 1.03 -0.54 0.00 0.00 175.26 176.24 3koy s ARG 440 N -2.51 4.46 0.49 4.30 0.52 -1.26 -5.06 118.95 119.90 3koy s ARG 440 Ca 0.60 1.07 -0.10 0.00 -0.52 0.00 0.00 55.73 56.77 3koy s ARG 440 Cb -0.26 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.69 3koy s ARG 440 CO 0.33 -0.01 0.87 -0.51 0.02 0.00 0.00 175.30 176.00 3koy s ASP 441 N 0.90 6.40 0.54 0.23 1.01 -1.26 -4.93 116.67 119.56 3koy s ASP 441 Ca 0.42 1.22 0.30 0.00 0.71 0.00 0.00 52.55 55.20 3koy s ASP 441 Cb -0.19 -2.37 1.46 0.00 1.01 0.00 0.00 42.92 42.84 3koy s ASP 441 CO 0.21 -0.59 1.91 -0.08 0.21 0.00 0.00 175.17 176.83 3koy h GLU 442 N 0.55 0.00 -0.32 8.23 4.22 -2.02 0.35 114.58 125.59 3koy h GLU 442 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3koy h GLU 442 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3koy h GLU 442 CO 0.62 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.05 3koy n ASP 443 N -4.19 3.20 -4.39 1.04 5.75 -1.26 -4.74 116.55 111.95 3koy n ASP 443 Ca 0.15 -1.93 -0.47 0.00 -0.01 0.00 0.00 54.79 52.53 3koy n ASP 443 Cb 0.86 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 3koy n ASP 443 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3koy n TYR 444 N 1.27 -0.63 -3.72 2.11 9.36 0.12 -4.77 117.16 120.91 3koy n TYR 444 Ca 0.17 0.93 -0.14 0.00 3.32 0.00 0.00 57.90 62.17 3koy n TYR 444 Cb 0.55 -1.95 -0.08 0.00 -0.63 0.00 0.00 39.34 37.23 3koy n TYR 444 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 3koy s MET 445 N -1.01 0.71 -0.11 2.98 1.75 -1.26 -1.89 119.30 120.46 3koy s MET 445 Ca 0.63 -0.01 -0.04 0.00 -1.25 0.00 0.00 55.69 55.03 3koy s MET 445 Cb -0.89 0.32 0.06 0.00 2.84 0.00 0.00 34.83 37.15 3koy s MET 445 CO 0.57 -0.19 0.17 0.00 -0.65 0.00 0.00 175.02 174.92 3koy s ALA 446 N -1.09 -0.15 -0.78 4.11 0.00 -1.26 -5.02 121.76 117.56 3koy s ALA 446 Ca -0.11 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3koy s ALA 446 Cb -0.04 -0.92 0.20 0.00 0.00 0.00 0.00 23.12 22.36 3koy s ALA 446 CO 0.05 -0.71 2.34 -0.35 0.00 0.00 0.00 175.76 177.08 3koy n PRO 447 N 5.32 3.22 -4.33 0.00 -0.05 -1.26 -4.90 135.00 133.00 3koy n PRO 447 Ca -0.05 -3.22 -0.17 0.00 -0.05 0.00 0.00 63.50 60.01 3koy n PRO 447 Cb 0.50 -2.30 -0.10 0.00 -0.05 0.00 0.00 33.50 31.55 3koy n PRO 447 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3koy s VAL 448 N -3.38 1.10 0.49 0.52 -7.23 -1.26 -4.07 120.40 106.58 3koy s VAL 448 Ca 0.53 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 3koy s VAL 448 Cb 0.35 -2.32 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 3koy s VAL 448 CO -0.26 -0.35 0.96 -0.89 -0.31 0.00 0.00 175.10 174.25 3koy s THR 449 N -3.37 4.53 -1.23 5.32 2.01 -1.26 -4.05 115.64 117.58 3koy s THR 449 Ca 0.28 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.48 3koy s THR 449 Cb 0.05 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3koy s THR 449 CO 0.08 -0.61 1.03 0.00 -0.69 0.00 0.00 174.62 174.43 3koy n ALA 450 N -1.39 -1.90 -2.89 7.40 0.00 -1.26 -5.00 120.51 115.47 3koy n ALA 450 Ca 0.06 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3koy n ALA 450 Cb 0.54 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.01 3koy n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3koy s HIS 451 N -3.36 3.56 -0.17 0.00 5.04 -1.26 -4.17 115.29 114.92 3koy s HIS 451 Ca 0.10 0.39 -0.15 0.00 -1.54 0.00 0.00 55.06 53.86 3koy s HIS 451 Cb -0.04 -1.85 -0.22 0.00 0.04 0.00 0.00 32.58 30.51 3koy s HIS 451 CO 0.73 0.66 0.26 0.34 -2.34 0.00 0.00 174.74 174.39 3koy n PHE 452 N 1.10 1.09 -2.48 3.88 7.35 -1.26 -5.04 117.46 122.11 3koy n PHE 452 Ca -0.12 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 3koy n PHE 452 Cb 0.53 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.23 3koy n PHE 452 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3koy n GLY 453 N 1.66 1.51 3.70 7.13 0.00 -1.26 -4.99 105.19 112.94 3koy n GLY 453 Ca -0.33 -2.05 -0.59 0.00 0.00 0.00 0.00 46.02 43.06 3koy n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3koy n TYR 454 N -0.86 1.87 -3.61 1.61 9.36 -1.26 -4.94 117.16 119.33 3koy n TYR 454 Ca 0.00 0.70 -0.29 0.00 3.32 0.00 0.00 57.90 61.62 3koy n TYR 454 Cb 0.00 -2.38 -0.14 0.00 -0.63 0.00 0.00 39.34 36.18 3koy n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koy s ASN 455 N 2.94 3.64 -0.66 2.98 2.47 -1.26 -4.79 114.94 120.25 3koy s ASN 455 Ca 0.98 -1.68 -0.27 0.00 0.42 0.00 0.00 52.86 52.31 3koy s ASN 455 Cb -1.15 -0.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.04 3koy s ASN 455 CO 0.67 -0.39 1.59 0.21 -3.72 0.00 0.00 177.10 175.45 3koy s ASN 456 N 1.60 5.69 -0.11 -4.21 2.47 -0.79 -4.70 114.94 114.89 3koy s ASN 456 Ca 0.12 0.00 -0.01 0.00 0.42 0.00 0.00 52.86 53.39 3koy s ASN 456 Cb -0.18 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.01 3koy s ASN 456 CO -0.23 -2.11 -0.11 0.52 -3.72 0.00 0.00 177.10 171.44 3koy n VAL 457 N 6.84 0.62 -0.09 -5.21 0.31 -1.26 -4.48 118.33 115.05 3koy n VAL 457 Ca 0.13 -0.21 0.04 0.00 -0.01 0.00 0.00 64.34 64.28 3koy n VAL 457 Cb 0.51 -1.11 0.07 0.00 -0.91 0.00 0.00 33.84 32.40 3koy n VAL 457 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3koy n LYS 458 N -3.02 -0.02 0.12 5.55 4.81 -1.26 0.18 118.16 124.52 3koy n LYS 458 Ca -0.20 0.40 0.06 0.00 -0.87 0.00 0.00 58.31 57.70 3koy n LYS 458 Cb 0.69 -0.63 0.34 0.00 0.02 0.00 0.00 35.03 35.45 3koy n LYS 458 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3koy n GLN 459 N -4.19 0.08 -0.00 1.64 10.64 -1.26 -0.57 117.38 123.72 3koy n GLN 459 Ca 0.06 0.54 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 3koy n GLN 459 Cb 0.19 -1.91 -0.01 0.00 -0.86 0.00 0.00 30.24 27.66 3koy n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3koy n TYR 460 N -1.93 0.00 0.00 2.61 4.01 0.48 -5.04 117.16 117.29 3koy n TYR 460 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3koy n TYR 460 Cb 0.16 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3koy n TYR 460 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3koy n ASP 461 N -1.71 0.00 0.00 7.72 -0.08 0.26 -5.01 116.55 117.74 3koy n ASP 461 Ca -0.01 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.29 3koy n ASP 461 Cb 0.20 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.80 3koy n ASP 461 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3koy n GLU 462 N 0.00 0.23 -0.00 -0.67 -0.00 -1.23 -1.61 120.64 117.37 3koy n GLU 462 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.26 3koy n GLU 462 Cb 0.00 -1.32 -0.12 0.00 -0.00 0.00 0.00 31.44 30.00 3koy n GLU 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3koy n ALA 463 N -0.82 4.36 -0.56 -1.84 0.00 -1.26 -4.03 120.51 116.36 3koy n ALA 463 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 52.97 3koy n ALA 463 Cb 0.02 -0.78 0.24 0.00 0.00 0.00 0.00 19.45 18.93 3koy n ALA 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3koy n LEU 464 N -1.65 3.66 -0.19 0.00 4.32 -0.63 -4.43 117.00 118.08 3koy n LEU 464 Ca 0.02 -2.45 -0.01 0.00 -0.02 0.00 0.00 56.01 53.56 3koy n LEU 464 Cb 0.38 -0.42 0.23 0.00 -1.62 0.00 0.00 43.42 41.99 3koy n LEU 464 CO 0.43 0.73 1.16 1.62 -1.22 0.00 0.00 177.39 180.12 3koy h VAL 465 N 2.41 1.20 -0.05 4.08 3.04 -1.70 -0.90 116.25 124.33 3koy h VAL 465 Ca 0.00 -0.49 -0.06 0.00 -1.01 0.00 0.00 66.70 65.14 3koy h VAL 465 Cb 1.14 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3koy h VAL 465 CO 0.13 0.22 -0.27 0.77 -1.01 0.00 0.00 177.57 177.41 3koy h SER 466 N 0.96 0.09 -2.03 3.17 4.64 -1.88 -3.38 113.55 115.12 3koy h SER 466 Ca 0.25 -0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 61.03 3koy h SER 466 Cb 0.01 -0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 61.67 3koy h SER 466 CO -0.04 0.36 -1.10 -0.62 -0.87 0.00 0.00 176.83 174.56 3koy n GLU 467 N -4.19 1.18 -0.61 4.77 -0.58 -0.36 -4.95 120.64 115.90 3koy n GLU 467 Ca -0.02 -3.53 0.49 0.00 -0.42 0.00 0.00 57.16 53.68 3koy n GLU 467 Cb 0.34 -1.66 0.79 0.00 -0.57 0.00 0.00 31.44 30.33 3koy n GLU 467 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3koy h PRO 468 N 3.28 0.00 -0.02 3.49 0.11 -1.69 0.13 132.00 137.29 3koy h PRO 468 Ca 0.10 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.23 3koy h PRO 468 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3koy h PRO 468 CO 0.53 0.00 -0.08 0.66 -0.21 0.00 0.00 178.00 178.91 3koy h SER 469 N 0.00 -0.22 -0.98 -2.05 4.64 -1.71 -3.04 113.55 110.19 3koy h SER 469 Ca 0.85 0.04 0.31 0.00 -0.47 0.00 0.00 61.79 62.51 3koy h SER 469 Cb 3.48 0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 65.49 3koy h SER 469 CO -0.01 -0.11 0.20 0.11 -0.87 0.00 0.00 176.83 176.15 3koy h LYS 470 N -0.12 0.03 -0.48 4.77 1.57 -1.06 0.33 116.57 121.61 3koy h LYS 470 Ca 0.04 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 3koy h LYS 470 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3koy h LYS 470 CO -0.09 0.02 0.98 -0.07 -0.57 0.00 0.00 179.45 179.72 3koy h LEU 471 N 0.03 0.00 -2.14 2.94 4.07 -1.69 0.80 115.31 119.32 3koy h LEU 471 Ca 0.67 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.63 3koy h LEU 471 Cb 1.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.25 3koy h LEU 471 CO -0.85 0.00 -0.09 2.30 -1.08 0.00 0.00 178.44 178.72 3koy n ILE 472 N -2.97 0.63 -2.84 1.22 -5.35 0.08 -5.04 119.36 105.09 3koy n ILE 472 Ca 0.10 -0.69 -0.11 0.00 -0.27 0.00 0.00 62.75 61.78 3koy n ILE 472 Cb 1.13 0.55 0.05 0.00 -1.74 0.00 0.00 39.64 39.64 3koy n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3koy n ASP 473 N -0.40 -4.36 -0.08 7.28 8.00 0.28 -4.85 116.55 122.42 3koy n ASP 473 Ca 0.03 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3koy n ASP 473 Cb 0.48 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 3koy n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3koy n GLY 474 N -1.24 -3.24 4.00 0.44 0.00 -1.04 -4.89 105.19 99.21 3koy n GLY 474 Ca -0.10 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 3koy n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koy h THR 476 N -0.32 0.00 0.00 0.00 1.35 -1.93 0.61 112.91 112.62 3koy h THR 476 Ca -0.35 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.44 3koy h THR 476 Cb 1.27 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3koy h THR 476 CO 0.41 0.00 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.30 3koy h LEU 477 N 0.00 0.00 0.02 3.87 3.38 -1.97 -3.07 115.31 117.54 3koy h LEU 477 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3koy h LEU 477 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3koy h LEU 477 CO 0.00 0.31 -2.23 -0.62 0.09 0.00 0.00 178.44 176.00 3koy n GLU 478 N -3.62 0.68 -3.78 1.13 4.71 0.19 -4.86 120.64 115.09 3koy n GLU 478 Ca -0.01 0.14 -0.28 0.00 -0.01 0.00 0.00 57.16 57.00 3koy n GLU 478 Cb 0.44 -1.60 -0.12 0.00 -1.01 0.00 0.00 31.44 29.14 3koy n GLU 478 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3koy s VAL 479 N -2.53 2.18 0.55 2.62 1.01 0.22 -4.93 120.40 119.50 3koy s VAL 479 Ca -0.18 -3.70 0.34 0.00 0.00 0.00 0.00 61.98 58.44 3koy s VAL 479 Cb 0.07 -2.45 0.51 0.00 0.00 0.00 0.00 36.38 34.52 3koy s VAL 479 CO 0.75 -1.03 1.83 -0.65 0.00 0.00 0.00 175.10 176.00 3koy h PRO 480 N 5.65 0.00 0.00 2.72 0.11 -1.83 0.18 132.00 138.83 3koy h PRO 480 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 3koy h PRO 480 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3koy h PRO 480 CO 0.62 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.30 3koy h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.92 -1.82 114.58 114.96 3koy h GLU 481 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3koy h GLU 481 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 3koy h GLU 481 CO -0.01 0.03 0.00 1.63 -1.40 0.00 0.00 179.01 179.27 3koy n LYS 482 N -3.27 0.32 -2.62 2.33 5.02 0.61 -4.86 118.16 115.69 3koy n LYS 482 Ca -0.02 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 3koy n LYS 482 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 3koy n LYS 482 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3koy s ILE 483 N -2.68 3.84 -0.57 -0.18 1.01 -0.69 -4.95 121.20 116.99 3koy s ILE 483 Ca 0.25 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 62.42 3koy s ILE 483 Cb 0.20 -3.96 0.14 0.00 0.01 0.00 0.00 42.46 38.85 3koy s ILE 483 CO 0.47 0.23 0.48 -0.69 0.00 0.00 0.00 174.94 175.43 3koy s VAL 484 N -1.42 4.75 -0.12 2.92 1.01 -1.26 -5.04 120.40 121.24 3koy s VAL 484 Ca 0.49 -1.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 3koy s VAL 484 Cb -0.25 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3koy s VAL 484 CO 0.31 -0.86 1.64 -0.47 0.00 0.00 0.00 175.10 175.72 3koy s TYR 485 N 1.14 2.04 -0.22 5.22 5.04 -1.26 -4.99 117.35 124.32 3koy s TYR 485 Ca 0.08 0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 54.97 3koy s TYR 485 Cb -0.24 -3.91 -0.05 0.00 0.35 0.00 0.00 41.96 38.11 3koy s TYR 485 CO -0.01 -3.45 0.13 0.42 -1.34 0.00 0.00 175.55 171.31 3koy s ILE 486 N 4.50 5.28 -0.17 3.14 -1.09 -1.26 -5.02 121.20 126.58 3koy s ILE 486 Ca 0.72 0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 59.12 3koy s ILE 486 Cb -0.30 -3.43 -0.14 0.00 -1.58 0.00 0.00 42.46 37.01 3koy s ILE 486 CO 0.29 0.40 0.19 -0.78 -1.23 0.00 0.00 174.94 173.80 3koy h ASP 487 N 7.11 0.00 -5.12 3.58 3.58 -1.96 -3.38 116.42 120.23 3koy h ASP 487 Ca -0.39 -0.41 -0.06 0.00 0.42 0.00 0.00 57.03 56.59 3koy h ASP 487 Cb 1.16 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.09 3koy h ASP 487 CO 0.70 1.10 -0.15 -1.61 -2.88 0.00 0.00 179.24 176.40 3koy s GLU 488 N -2.21 1.08 0.00 0.28 0.41 -1.26 -3.94 118.70 113.06 3koy s GLU 488 Ca -0.20 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 3koy s GLU 488 Cb 0.03 0.44 0.00 0.00 -1.78 0.00 0.00 34.13 32.82 3koy s GLU 488 CO 0.45 -0.41 0.65 1.28 -0.49 0.00 0.00 175.26 176.73 3koy n LEU 489 N -0.21 0.00 -3.67 1.80 4.77 -1.26 -4.96 117.00 113.47 3koy n LEU 489 Ca -0.14 -0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 3koy n LEU 489 Cb 0.63 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.56 3koy n LEU 489 CO 0.19 0.21 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.58 3koy s ASP 490 N -0.38 0.78 0.00 -1.43 -1.08 -1.26 -5.01 116.67 108.29 3koy s ASP 490 Ca 0.00 0.29 0.20 0.00 -0.52 0.00 0.00 52.55 52.52 3koy s ASP 490 Cb 0.00 0.20 0.95 0.00 -1.46 0.00 0.00 42.92 42.61 3koy s ASP 490 CO 0.00 -0.24 1.65 -1.84 0.52 0.00 0.00 175.17 175.26 3koy n GLU 491 N 5.28 0.15 0.00 4.34 -0.00 -1.26 -3.37 120.64 125.78 3koy n GLU 491 Ca -0.05 0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 3koy n GLU 491 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.44 3koy n GLU 491 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3koy n ASN 492 N -1.39 0.04 -3.89 -1.84 5.03 -1.26 -4.92 115.26 107.04 3koy n ASN 492 Ca 0.07 -0.31 -0.30 0.00 0.87 0.00 0.00 54.58 54.92 3koy n ASN 492 Cb 0.20 0.42 -0.13 0.00 -1.02 0.00 0.00 39.78 39.24 3koy n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3koy s ASP 493 N -0.42 4.23 0.17 6.41 2.15 -1.22 -4.91 116.67 123.09 3koy s ASP 493 Ca 0.00 -3.10 -0.13 0.00 0.43 0.00 0.00 52.55 49.75 3koy s ASP 493 Cb 0.00 -1.51 0.05 0.00 -0.30 0.00 0.00 42.92 41.16 3koy s ASP 493 CO 0.00 -0.21 0.63 -0.46 -0.17 0.00 0.00 175.17 174.96 3koy n ASN 494 N 2.97 -1.29 0.07 -0.34 0.23 -1.25 -3.89 115.26 111.76 3koy n ASN 494 Ca 0.09 -1.77 -0.12 0.00 -0.53 0.00 0.00 54.58 52.25 3koy n ASN 494 Cb 0.33 2.12 -0.03 0.00 -2.08 0.00 0.00 39.78 40.12 3koy n ASN 494 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3koy h VAL 495 N 1.66 1.42 -0.32 3.53 3.04 -1.95 -2.80 116.25 120.83 3koy h VAL 495 Ca -0.20 -2.46 -0.01 0.00 -1.01 0.00 0.00 66.70 63.02 3koy h VAL 495 Cb 0.81 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.48 3koy h VAL 495 CO 0.26 0.73 0.15 0.78 -1.01 0.00 0.00 177.57 178.48 3koy h ASN 496 N 0.21 0.42 0.44 3.17 2.35 -1.97 0.98 115.58 121.19 3koy h ASN 496 Ca -0.07 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3koy h ASN 496 Cb 1.54 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.81 3koy h ASN 496 CO 0.15 0.43 -0.21 0.58 -1.65 0.00 0.00 177.43 176.73 3koy h VAL 497 N 0.38 0.56 -0.89 2.81 2.07 -1.92 -2.80 116.25 116.46 3koy h VAL 497 Ca 0.11 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3koy h VAL 497 Cb 0.12 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3koy h VAL 497 CO -0.01 0.02 0.54 -0.09 0.02 0.00 0.00 177.57 178.05 3koy h ARG 498 N -0.64 0.92 0.48 1.57 2.43 -1.38 -2.91 114.38 114.85 3koy h ARG 498 Ca -0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3koy h ARG 498 Cb 0.48 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3koy h ARG 498 CO 0.10 0.61 -0.23 0.52 -1.51 0.00 0.00 179.97 179.46 3koy h MET 499 N 0.94 -0.62 -1.01 0.20 2.86 -0.74 -3.01 114.93 113.56 3koy h MET 499 Ca 0.41 0.04 0.23 0.00 -2.06 0.00 0.00 59.70 58.33 3koy h MET 499 Cb 0.28 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 31.97 3koy h MET 499 CO -0.21 -0.31 0.62 1.49 1.06 0.00 0.00 176.91 179.55 3koy h GLU 500 N -0.90 0.56 0.00 1.72 4.22 -1.45 -0.37 114.58 118.35 3koy h GLU 500 Ca -0.07 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3koy h GLU 500 Cb 0.59 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3koy h GLU 500 CO 0.11 0.37 0.24 1.49 -2.18 0.00 0.00 179.01 179.04 3koy h GLU 501 N 0.58 0.00 0.00 1.92 4.81 -1.36 -1.41 114.58 119.11 3koy h GLU 501 Ca 0.61 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.73 3koy h GLU 501 Cb 1.21 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 3koy h GLU 501 CO -0.39 0.00 -0.82 0.25 -0.73 0.00 0.00 179.01 177.32 3koy n THR 502 N -2.65 0.63 0.30 0.32 -2.24 -0.18 -4.74 114.28 105.73 3koy n THR 502 Ca -0.02 -1.53 0.12 0.00 -2.27 0.00 0.00 64.05 60.35 3koy n THR 502 Cb 0.28 0.60 0.55 0.00 -2.10 0.00 0.00 70.33 69.66 3koy n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koy h LYS 503 N 0.88 0.00 0.00 -0.78 1.57 -0.95 -2.72 116.57 114.57 3koy h LYS 503 Ca -0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3koy h LYS 503 Cb 1.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 3koy h LYS 503 CO 0.06 0.00 -0.05 1.05 -0.57 0.00 0.00 179.45 179.94 3koy h GLU 504 N 0.00 0.00 -0.01 3.15 4.11 -1.85 -2.93 114.58 117.05 3koy h GLU 504 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3koy h GLU 504 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3koy h GLU 504 CO 0.00 0.05 -0.15 1.19 0.07 0.00 0.00 179.01 180.17 3koy n PHE 505 N -3.64 0.00 -2.09 2.06 3.01 -1.02 -4.62 117.46 111.15 3koy n PHE 505 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.11 3koy n PHE 505 Cb 0.15 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.65 3koy n PHE 505 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3koy n ARG 506 N 0.20 3.12 -0.34 -1.08 0.63 -1.11 -4.70 116.66 113.37 3koy n ARG 506 Ca 0.06 -3.96 0.12 0.00 -0.92 0.00 0.00 57.85 53.15 3koy n ARG 506 Cb 0.29 -2.27 0.30 0.00 0.45 0.00 0.00 32.46 31.24 3koy n ARG 506 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3koy n SER 509 N -0.58 3.87 -4.86 6.15 3.41 -1.26 -5.00 113.62 115.35 3koy n SER 509 Ca 0.48 -2.00 -0.30 0.00 -0.26 0.00 0.00 58.87 56.79 3koy n SER 509 Cb 0.53 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 3koy n SER 509 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3koy s MET 510 N -1.09 2.22 -0.22 4.33 -1.94 -1.26 -2.61 119.30 118.72 3koy s MET 510 Ca 0.47 0.36 -0.27 0.00 -1.71 0.00 0.00 55.69 54.54 3koy s MET 510 Cb 0.25 -1.96 0.09 0.00 2.01 0.00 0.00 34.83 35.23 3koy s MET 510 CO 0.33 -1.47 0.84 -1.50 -0.01 0.00 0.00 175.02 173.22 3koy s ILE 511 N -3.38 0.00 0.23 2.53 2.07 -1.00 -4.88 121.20 116.78 3koy s ILE 511 Ca 0.61 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.77 3koy s ILE 511 Cb -0.12 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 3koy s ILE 511 CO 0.52 0.00 0.33 -1.59 -1.91 0.00 0.00 174.94 172.28 3koy s LYS 512 N -0.13 1.41 0.31 3.50 -2.85 -1.26 -2.76 119.74 117.95 3koy s LYS 512 Ca -0.01 -1.43 -0.29 0.00 -1.00 0.00 0.00 55.97 53.23 3koy s LYS 512 Cb -0.04 0.38 -0.11 0.00 -2.06 0.00 0.00 37.83 36.01 3koy s LYS 512 CO 0.01 -0.54 1.49 -2.14 0.10 0.00 0.00 175.35 174.27 3koy s PRO 513 N -4.05 4.18 0.14 1.78 0.02 -1.26 -4.66 135.00 131.15 3koy s PRO 513 Ca 0.30 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.83 3koy s PRO 513 Cb 0.03 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 3koy s PRO 513 CO 0.11 -0.50 -0.07 -1.83 -0.33 0.00 0.00 177.00 174.37 3koy s GLU 514 N -1.11 1.03 0.00 5.54 -1.05 -1.26 0.12 118.70 121.97 3koy s GLU 514 Ca 0.58 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 3koy s GLU 514 Cb -0.45 -0.48 0.00 0.00 -0.44 0.00 0.00 34.13 32.76 3koy s GLU 514 CO 0.52 0.02 0.00 1.33 0.95 0.00 0.00 175.26 178.08 3koy n VAL 515 N -0.18 0.00 0.00 1.83 0.24 -1.26 -4.81 118.33 114.15 3koy n VAL 515 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3koy n VAL 515 Cb 0.61 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 3koy n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3koy n GLU 516 N -1.47 0.00 -4.37 7.34 0.28 -1.26 -1.36 120.64 119.80 3koy n GLU 516 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 3koy n GLU 516 Cb 0.16 -0.10 -0.09 0.00 1.43 0.00 0.00 31.44 32.84 3koy n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3koy s TRP 517 N -1.34 3.13 -0.43 -1.84 0.51 -1.26 -4.68 118.94 113.03 3koy s TRP 517 Ca 0.00 0.16 -0.45 0.00 -2.12 0.00 0.00 56.10 53.69 3koy s TRP 517 Cb 0.00 -1.76 -0.19 0.00 -0.81 0.00 0.00 33.47 30.72 3koy s TRP 517 CO 0.00 0.46 1.66 0.94 -0.51 0.00 0.00 176.95 179.50 3koy n GLN 518 N 1.97 0.35 -4.00 4.98 7.27 -1.26 -0.46 117.38 126.23 3koy n GLN 518 Ca -0.18 0.13 -0.31 0.00 0.07 0.00 0.00 57.00 56.71 3koy n GLN 518 Cb 0.53 -1.69 0.01 0.00 2.41 0.00 0.00 30.24 31.50 3koy n GLN 518 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3koy n ALA 519 N 4.52 -1.40 0.40 1.69 0.00 -1.26 -4.84 120.51 119.62 3koy n ALA 519 Ca 0.30 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.93 3koy n ALA 519 Cb -0.00 -3.70 0.51 0.00 0.00 0.00 0.00 19.45 16.26 3koy n ALA 519 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3koy h ASP 520 N -1.87 0.00 -0.01 0.00 3.04 -0.87 -3.47 116.42 113.24 3koy h ASP 520 Ca -0.59 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.20 3koy h ASP 520 Cb 1.38 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.67 3koy h ASP 520 CO 0.69 0.00 -0.00 0.61 -2.04 0.00 0.00 179.24 178.50 3koy n GLY 521 N 0.12 0.47 3.83 7.15 0.00 0.12 -4.88 105.19 111.99 3koy n GLY 521 Ca 0.02 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3koy n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 522 N -1.99 4.85 0.13 2.61 2.01 -1.19 0.75 115.64 122.81 3koy s THR 522 Ca 0.00 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 62.95 3koy s THR 522 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3koy s THR 522 CO 0.00 0.41 0.02 0.68 -0.69 0.00 0.00 174.62 175.04 3koy s VAL 523 N -1.28 0.31 -0.23 3.82 -7.23 0.11 -4.14 120.40 111.76 3koy s VAL 523 Ca 0.32 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.53 3koy s VAL 523 Cb -0.17 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3koy s VAL 523 CO 0.18 -0.58 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.16 3koy s LEU 524 N -3.06 3.10 -0.11 1.32 2.96 -1.26 -1.85 118.68 119.78 3koy s LEU 524 Ca 0.20 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3koy s LEU 524 Cb 0.07 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3koy s LEU 524 CO -0.00 -0.04 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.70 3koy s LEU 525 N 1.50 3.11 -0.18 -0.68 2.96 0.01 -4.99 118.68 120.42 3koy s LEU 525 Ca 0.05 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3koy s LEU 525 Cb -0.15 -1.71 0.06 0.00 0.50 0.00 0.00 46.19 44.90 3koy s LEU 525 CO -0.01 0.26 0.07 -0.89 -1.32 0.00 0.00 176.35 174.45 3koy s THR 526 N -0.18 0.14 0.29 3.68 2.01 -1.26 -0.30 115.64 120.02 3koy s THR 526 Ca 0.02 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.73 3koy s THR 526 Cb -0.13 -0.75 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 3koy s THR 526 CO 0.03 -0.26 0.08 0.00 -0.69 0.00 0.00 174.62 173.78 3koy s MET 527 N 2.03 1.53 -0.12 4.92 0.23 -0.42 -5.00 119.30 122.47 3koy s MET 527 Ca 0.01 -1.84 0.03 0.00 -1.03 0.00 0.00 55.69 52.86 3koy s MET 527 Cb -0.16 -0.54 0.00 0.00 -1.53 0.00 0.00 34.83 32.60 3koy s MET 527 CO -0.09 -0.25 -0.23 0.12 -2.03 0.00 0.00 175.02 172.54 3koy s PHE 528 N -3.54 2.60 -0.07 3.16 5.36 -1.26 -1.54 117.98 122.69 3koy s PHE 528 Ca 0.37 -1.18 0.05 0.00 -0.96 0.00 0.00 56.93 55.20 3koy s PHE 528 Cb 0.08 -1.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.00 3koy s PHE 528 CO 0.15 -0.51 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.67 3koy s LEU 529 N 0.57 2.27 -0.02 6.12 1.43 -0.94 -4.96 118.68 123.15 3koy s LEU 529 Ca -0.13 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3koy s LEU 529 Cb -0.17 -1.44 -0.12 0.00 0.03 0.00 0.00 46.19 44.50 3koy s LEU 529 CO 0.04 0.25 2.78 -2.65 0.23 0.00 0.00 176.35 177.00 3koy n PRO 530 N 2.93 1.52 -2.37 1.29 -0.02 -1.26 -0.08 135.00 137.01 3koy n PRO 530 Ca -0.17 -0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 60.70 3koy n PRO 530 Cb 0.52 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 3koy n PRO 530 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3koy n THR 531 N 1.92 0.00 -0.68 3.45 5.66 -1.26 -4.56 114.28 118.81 3koy n THR 531 Ca 0.22 -0.38 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 3koy n THR 531 Cb 0.70 0.15 0.21 0.00 -1.55 0.00 0.00 70.33 69.84 3koy n THR 531 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3koy s SER 532 N -1.39 1.93 0.16 1.09 1.04 -1.26 -3.88 113.70 111.39 3koy s SER 532 Ca 0.04 1.75 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 3koy s SER 532 Cb 0.00 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.81 3koy s SER 532 CO 0.03 -3.65 1.80 0.50 0.98 0.00 0.00 173.24 172.90 3koy h LYS 533 N -2.24 0.47 0.01 4.02 3.64 -1.94 -2.37 116.57 118.16 3koy h LYS 533 Ca -0.54 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 3koy h LYS 533 Cb 1.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3koy h LYS 533 CO 0.48 0.31 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.76 3koy h ARG 534 N 0.49 0.07 0.00 1.90 2.43 -1.98 -2.46 114.38 114.82 3koy h ARG 534 Ca 0.18 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3koy h ARG 534 Cb 0.03 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3koy h ARG 534 CO -0.09 0.93 0.11 0.28 -1.51 0.00 0.00 179.97 179.69 3koy h VAL 535 N -0.76 0.00 0.10 0.20 2.07 -1.94 -0.66 116.25 115.27 3koy h VAL 535 Ca -0.02 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 3koy h VAL 535 Cb 0.98 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3koy h VAL 535 CO 0.02 0.00 -1.87 0.00 0.02 0.00 0.00 177.57 175.74 3koy h ALA 536 N 1.72 0.49 -0.55 1.67 0.00 -1.34 -3.18 119.26 118.07 3koy h ALA 536 Ca 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 54.91 53.59 3koy h ALA 536 Cb 0.23 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3koy h ALA 536 CO 0.00 1.35 0.28 1.49 0.00 0.00 0.00 179.25 182.37 3koy h GLU 537 N 0.06 0.53 0.00 0.00 4.81 -0.64 0.72 114.58 120.05 3koy h GLU 537 Ca -0.37 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.64 3koy h GLU 537 Cb 2.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 3koy h GLU 537 CO 0.10 0.35 -1.02 0.74 -0.73 0.00 0.00 179.01 178.44 3koy h PHE 538 N 0.54 0.00 -0.24 0.92 0.04 -1.61 -2.78 116.94 113.80 3koy h PHE 538 Ca 0.25 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 3koy h PHE 538 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3koy h PHE 538 CO -0.10 0.82 -0.35 0.00 -0.60 0.00 0.00 178.31 178.08 3koy h ALA 539 N 1.18 0.95 -0.58 2.45 0.00 -1.51 -2.72 119.26 119.03 3koy h ALA 539 Ca -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3koy h ALA 539 Cb 1.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 3koy h ALA 539 CO 0.09 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.10 3koy h ALA 540 N 1.18 1.17 -0.24 0.00 0.00 -0.74 -1.16 119.26 119.47 3koy h ALA 540 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3koy h ALA 540 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3koy h ALA 540 CO 0.07 0.57 0.15 0.82 0.00 0.00 0.00 179.25 180.86 3koy h ILE 541 N 0.86 1.08 -0.02 0.00 1.08 -1.32 -1.39 117.51 117.80 3koy h ILE 541 Ca 0.19 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3koy h ILE 541 Cb 0.30 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3koy h ILE 541 CO -0.00 0.07 0.01 -0.33 -0.69 0.00 0.00 178.15 177.21 3koy h GLU 542 N 0.32 0.03 -0.68 2.37 4.39 -1.10 0.15 114.58 120.06 3koy h GLU 542 Ca 0.09 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.95 3koy h GLU 542 Cb -0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3koy h GLU 542 CO -0.02 0.13 0.47 0.74 -1.16 0.00 0.00 179.01 179.17 3koy h PHE 543 N -0.08 0.21 -0.05 4.33 0.04 -1.23 0.72 116.94 120.87 3koy h PHE 543 Ca 0.01 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3koy h PHE 543 Cb 0.11 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3koy h PHE 543 CO -0.04 0.08 -0.30 0.00 -0.60 0.00 0.00 178.31 177.45 3koy h ALA 544 N 1.67 0.11 -0.57 2.45 0.00 -0.04 -2.95 119.26 119.93 3koy h ALA 544 Ca 0.33 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3koy h ALA 544 Cb 1.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3koy h ALA 544 CO -0.06 0.15 0.02 0.87 0.00 0.00 0.00 179.25 180.23 3koy h LYS 545 N -0.23 0.97 0.00 0.00 1.57 -0.36 -2.27 116.57 116.26 3koy h LYS 545 Ca -0.02 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3koy h LYS 545 Cb 0.96 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3koy h LYS 545 CO 0.06 0.95 0.00 0.87 -0.57 0.00 0.00 179.45 180.76 3koy h LYS 546 N 0.90 0.00 -0.65 3.15 1.57 -0.83 0.60 116.57 121.32 3koy h LYS 546 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3koy h LYS 546 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3koy h LYS 546 CO 0.02 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.57 3koy n MET 547 N -2.30 3.52 -3.33 3.15 2.81 -0.87 -4.93 117.12 115.17 3koy n MET 547 Ca -0.00 -2.34 -0.17 0.00 -1.81 0.00 0.00 57.70 53.38 3koy n MET 547 Cb 0.10 -1.90 0.07 0.00 -0.71 0.00 0.00 33.22 30.78 3koy n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3koy n ASN 548 N 0.70 -3.57 -4.92 7.83 3.02 0.21 -5.02 115.26 113.52 3koy n ASN 548 Ca 0.21 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.94 3koy n ASN 548 Cb 0.83 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.47 3koy n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koy s LEU 549 N -6.07 4.33 0.05 3.41 1.43 -1.09 -4.37 118.68 116.37 3koy s LEU 549 Ca 0.21 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.69 3koy s LEU 549 Cb -0.09 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3koy s LEU 549 CO 0.63 0.13 -0.11 -1.61 0.23 0.00 0.00 176.35 175.62 3koy s GLU 550 N -2.65 2.25 -1.21 1.70 0.41 0.27 -4.64 118.70 114.83 3koy s GLU 550 Ca 0.36 -0.91 -0.01 0.00 -0.41 0.00 0.00 54.97 54.00 3koy s GLU 550 Cb -0.13 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 3koy s GLU 550 CO 0.28 0.55 1.01 0.39 -0.49 0.00 0.00 175.26 177.00 3koy n GLU 551 N 1.22 -6.73 -1.99 1.61 1.02 -1.26 -0.68 120.64 113.83 3koy n GLU 551 Ca -0.15 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.41 3koy n GLU 551 Cb 0.52 -5.84 -0.03 0.00 -0.02 0.00 0.00 31.44 26.08 3koy n GLU 551 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3koy s VAL 552 N -3.35 3.33 -0.12 2.62 1.01 -1.26 -4.60 120.40 118.03 3koy s VAL 552 Ca 0.07 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3koy s VAL 552 Cb -0.03 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3koy s VAL 552 CO 0.72 -0.02 -0.16 -1.61 0.00 0.00 0.00 175.10 174.03 3koy s GLU 553 N 3.19 2.30 -0.10 2.72 2.02 -0.37 -5.00 118.70 123.46 3koy s GLU 553 Ca 0.73 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 3koy s GLU 553 Cb -0.36 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3koy s GLU 553 CO 0.31 -0.09 1.51 0.08 0.02 0.00 0.00 175.26 177.08 3koy s VAL 554 N 1.06 3.85 -0.04 2.63 1.01 -1.26 0.03 120.40 127.68 3koy s VAL 554 Ca -0.04 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.01 3koy s VAL 554 Cb -0.15 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.65 3koy s VAL 554 CO -0.03 -0.10 1.00 2.30 0.00 0.00 0.00 175.10 178.26 3koy n ILE 555 N 5.48 1.12 -3.65 2.22 -5.35 0.11 -4.95 119.36 114.34 3koy n ILE 555 Ca 0.16 -1.23 -0.01 0.00 -0.27 0.00 0.00 62.75 61.39 3koy n ILE 555 Cb 0.44 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.60 3koy n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3koy s ASN 556 N -1.47 -0.22 -0.23 7.28 2.47 -1.05 -4.85 114.94 116.87 3koy s ASN 556 Ca 0.10 0.37 -0.03 0.00 0.42 0.00 0.00 52.86 53.71 3koy s ASN 556 Cb 0.08 0.86 0.08 0.00 -1.45 0.00 0.00 41.25 40.82 3koy s ASN 556 CO 0.01 -0.06 0.08 0.00 -3.72 0.00 0.00 177.10 173.41 3koy s ARG 557 N 0.82 0.38 -0.16 0.43 1.70 -1.26 -1.56 118.95 119.29 3koy s ARG 557 Ca -0.04 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.70 3koy s ARG 557 Cb -0.03 -1.77 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 3koy s ARG 557 CO -0.12 -0.80 0.07 -1.21 -1.08 0.00 0.00 175.30 172.16 3koy s GLU 558 N 1.96 3.81 -0.27 3.89 2.02 -0.65 -4.98 118.70 124.49 3koy s GLU 558 Ca 0.04 -0.31 -0.28 0.00 0.02 0.00 0.00 54.97 54.44 3koy s GLU 558 Cb -0.17 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 30.90 3koy s GLU 558 CO -0.19 0.39 1.00 0.08 0.02 0.00 0.00 175.26 176.57 3koy s VAL 559 N 0.04 4.66 -0.00 2.63 1.01 -1.26 -0.77 120.40 126.70 3koy s VAL 559 Ca 0.06 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 3koy s VAL 559 Cb -0.12 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3koy s VAL 559 CO 0.01 -0.27 0.44 0.24 0.00 0.00 0.00 175.10 175.52 3koy h MET 560 N 7.74 -0.03 -3.48 2.72 0.00 -1.70 -3.47 114.93 116.71 3koy h MET 560 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 59.70 59.26 3koy h MET 560 Cb 1.07 0.01 -0.30 0.00 0.00 0.00 0.00 31.60 32.38 3koy h MET 560 CO 0.97 -0.02 -0.64 -1.14 0.00 0.00 0.00 176.91 176.08 3koy s GLN 561 N -1.95 0.06 0.13 1.72 -0.44 -1.11 -5.00 119.66 113.08 3koy s GLN 561 Ca -0.01 0.18 -0.15 0.00 -2.50 0.00 0.00 55.36 52.88 3koy s GLN 561 Cb 0.00 -0.07 0.07 0.00 -1.64 0.00 0.00 33.01 31.38 3koy s GLN 561 CO 0.02 -0.08 1.03 -1.91 0.50 0.00 0.00 175.29 174.85 3koy n GLU 562 N 3.53 -0.21 -0.03 1.67 2.13 -1.26 -1.14 120.64 125.33 3koy n GLU 562 Ca -0.19 1.02 -0.16 0.00 0.66 0.00 0.00 57.16 58.49 3koy n GLU 562 Cb 0.56 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.64 3koy n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3koy h ALA 563 N 0.67 -0.01 0.00 4.31 0.00 -1.98 -3.38 119.26 118.88 3koy h ALA 563 Ca 0.18 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3koy h ALA 563 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3koy h ALA 563 CO -0.65 0.11 -0.12 0.93 0.00 0.00 0.00 179.25 179.53 3koy h GLU 564 N -0.65 0.00 0.00 0.00 4.39 -1.43 -3.39 114.58 113.51 3koy h GLU 564 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3koy h GLU 564 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3koy h GLU 564 CO 0.05 0.12 0.00 0.41 -1.16 0.00 0.00 179.01 178.43 3koy n GLY 565 N -1.17 3.18 2.85 -3.84 0.00 -0.91 -4.43 105.19 100.86 3koy n GLY 565 Ca -0.03 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 3koy n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3koy s THR 566 N -2.00 0.24 0.07 2.61 2.01 0.89 -1.78 115.64 117.68 3koy s THR 566 Ca 0.00 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 3koy s THR 566 Cb 0.00 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 3koy s THR 566 CO 0.00 0.14 0.93 -0.60 -0.69 0.00 0.00 174.62 174.40 3koy s ARG 567 N 0.83 4.63 -0.02 4.92 3.52 0.05 -2.22 118.95 130.67 3koy s ARG 567 Ca -0.09 1.37 0.02 0.00 -0.13 0.00 0.00 55.73 56.90 3koy s ARG 567 Cb -0.12 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3koy s ARG 567 CO -0.01 0.17 -0.06 0.42 -0.81 0.00 0.00 175.30 175.01 3koy s ILE 568 N 0.21 0.52 -0.12 4.11 -1.09 -0.59 -1.63 121.20 122.61 3koy s ILE 568 Ca 0.46 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3koy s ILE 568 Cb -0.22 -0.49 0.02 0.00 -1.58 0.00 0.00 42.46 40.19 3koy s ILE 568 CO 0.28 0.18 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.42 3koy s GLU 569 N 0.28 2.19 0.08 2.79 2.02 -0.60 -1.30 118.70 124.16 3koy s GLU 569 Ca -0.03 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 54.50 3koy s GLU 569 Cb -0.08 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3koy s GLU 569 CO -0.00 -0.15 -0.19 -0.51 0.02 0.00 0.00 175.26 174.43 3koy s LEU 570 N 1.24 2.59 0.01 1.80 1.02 0.59 0.06 118.68 125.99 3koy s LEU 570 Ca -0.01 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.60 3koy s LEU 570 Cb -0.14 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 3koy s LEU 570 CO -0.06 0.22 0.17 -1.59 0.02 0.00 0.00 176.35 175.11 3koy s LYS 571 N -1.77 3.35 0.16 1.70 -2.85 0.10 -0.81 119.74 119.63 3koy s LYS 571 Ca 0.16 -0.39 -0.14 0.00 -1.00 0.00 0.00 55.97 54.60 3koy s LYS 571 Cb -0.10 -3.03 0.02 0.00 -2.06 0.00 0.00 37.83 32.65 3koy s LYS 571 CO 0.07 0.65 0.39 0.20 0.10 0.00 0.00 175.35 176.77 3koy s GLY 572 N -2.04 0.06 -0.16 0.59 0.00 -0.77 -1.23 107.32 103.77 3koy s GLY 572 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 3koy s GLY 572 CO 0.20 -0.50 -0.08 -1.60 0.00 0.00 0.00 173.10 171.12 3koy s ARG 573 N -3.89 3.48 -0.02 2.90 3.52 0.15 0.08 118.95 125.17 3koy s ARG 573 Ca 0.10 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 3koy s ARG 573 Cb 0.01 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 3koy s ARG 573 CO -0.05 0.13 1.06 0.08 -0.81 0.00 0.00 175.30 175.71 3koy s VAL 574 N 0.61 4.59 -0.70 7.11 1.01 0.23 -0.56 120.40 132.69 3koy s VAL 574 Ca -0.05 1.87 0.12 0.00 0.00 0.00 0.00 61.98 63.91 3koy s VAL 574 Cb -0.15 -4.20 0.60 0.00 0.00 0.00 0.00 36.38 32.63 3koy s VAL 574 CO 0.03 0.09 1.44 -2.65 0.00 0.00 0.00 175.10 174.01 3koy n PRO 575 N 4.34 3.67 -3.82 2.72 -0.02 -1.26 -4.80 135.00 135.83 3koy n PRO 575 Ca 0.08 -2.31 -0.13 0.00 -2.02 0.00 0.00 63.50 59.11 3koy n PRO 575 Cb 0.49 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 3koy n PRO 575 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3koy n PHE 576 N 0.58 -1.47 -4.00 6.00 1.16 -1.26 -5.18 117.46 113.30 3koy n PHE 576 Ca 0.21 -2.17 0.00 0.00 -1.87 0.00 0.00 57.45 53.61 3koy n PHE 576 Cb 0.88 0.55 0.00 0.00 -1.61 0.00 0.00 39.48 39.30 3koy n PHE 576 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 3koy n SER 577 N -1.64 1.54 -3.78 5.98 7.64 -1.26 -4.88 113.62 117.22 3koy n SER 577 Ca -0.00 -1.00 -0.13 0.00 1.01 0.00 0.00 58.87 58.75 3koy n SER 577 Cb 0.55 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 3koy n SER 577 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3koy s ILE 578 N -1.22 0.01 -0.26 0.44 1.09 -1.11 -5.00 121.20 115.14 3koy s ILE 578 Ca 0.00 -0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.40 3koy s ILE 578 Cb 0.00 -0.41 -0.05 0.00 -1.06 0.00 0.00 42.46 40.94 3koy s ILE 578 CO 0.00 -0.02 0.17 -0.62 -0.10 0.00 0.00 174.94 174.37 3koy s ASP 579 N 0.03 6.07 0.11 3.58 -1.08 -1.26 -2.36 116.67 121.75 3koy s ASP 579 Ca -0.01 0.06 -0.34 0.00 -0.52 0.00 0.00 52.55 51.74 3koy s ASP 579 Cb -0.02 -2.11 -0.14 0.00 -1.46 0.00 0.00 42.92 39.19 3koy s ASP 579 CO 0.01 0.02 1.55 0.40 0.52 0.00 0.00 175.17 177.67 3koy h ILE 580 N 5.16 0.00 -1.34 4.11 1.08 -1.86 -1.67 117.51 122.98 3koy h ILE 580 Ca -0.37 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.49 3koy h ILE 580 Cb 1.18 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 3koy h ILE 580 CO 0.61 0.00 1.17 0.78 -0.69 0.00 0.00 178.15 180.02 3koy h ASN 581 N -0.70 0.00 -0.23 1.72 2.35 -1.94 0.49 115.58 117.28 3koy h ASN 581 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3koy h ASN 581 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3koy h ASN 581 CO -0.34 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.24 3koy n SER 582 N -3.67 2.17 -4.40 5.81 7.64 -0.63 -4.82 113.62 115.72 3koy n SER 582 Ca 0.30 -2.20 -0.36 0.00 1.01 0.00 0.00 58.87 57.62 3koy n SER 582 Cb 1.58 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 64.24 3koy n SER 582 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3koy s LEU 583 N -0.98 3.23 -0.34 -3.43 1.43 0.17 -5.00 118.68 113.77 3koy s LEU 583 Ca 0.19 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3koy s LEU 583 Cb 0.12 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3koy s LEU 583 CO 0.08 -0.02 1.25 -0.69 0.23 0.00 0.00 176.35 177.20 3koy s VAL 584 N 1.48 4.20 -0.20 -1.59 1.01 -1.26 -4.99 120.40 119.04 3koy s VAL 584 Ca 0.06 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 3koy s VAL 584 Cb -0.15 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.03 3koy s VAL 584 CO 0.01 -0.57 0.03 -0.63 0.00 0.00 0.00 175.10 173.94 3koy s ILE 585 N 4.35 0.62 0.67 2.22 1.01 -1.26 -5.14 121.20 123.68 3koy s ILE 585 Ca 0.54 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 3koy s ILE 585 Cb -0.14 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 3koy s ILE 585 CO 0.24 -0.22 1.05 -2.84 0.00 0.00 0.00 174.94 173.17 3koy s PRO 586 N 1.81 3.08 0.00 2.79 0.02 -1.26 -5.29 135.00 136.15 3koy s PRO 586 Ca -0.01 0.95 0.00 0.00 0.02 0.00 0.00 61.00 61.96 3koy s PRO 586 Cb -0.17 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3koy s PRO 586 CO -0.09 -0.99 0.00 -2.30 -0.33 0.00 0.00 177.00 173.30 3koy n PRO 587 N -2.95 3.47 0.00 5.54 -0.02 -1.26 -5.33 135.00 134.46 3koy n PRO 587 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3koy n PRO 587 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3koy n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3koy n ILE 591 N 0.00 0.00 -3.16 4.25 5.41 -1.26 -5.39 119.36 119.21 3koy n ILE 591 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 3koy n ILE 591 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3koy n ILE 591 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3koy s LEU 592 N 0.00 4.43 0.50 1.39 1.98 -1.26 -5.07 118.68 120.66 3koy s LEU 592 Ca 0.00 1.23 -0.13 0.00 -2.89 0.00 0.00 54.13 52.34 3koy s LEU 592 Cb 0.00 -2.99 -0.06 0.00 0.66 0.00 0.00 46.19 43.80 3koy s LEU 592 CO 0.00 0.09 0.92 -0.94 -1.89 0.00 0.00 176.35 174.53 3koy s SER 593 N -0.21 6.49 0.54 3.68 1.04 -1.26 -4.93 113.70 119.05 3koy s SER 593 Ca 0.32 1.37 0.24 0.00 0.48 0.00 0.00 55.95 58.37 3koy s SER 593 Cb -0.19 -2.43 1.41 0.00 0.10 0.00 0.00 66.02 64.91 3koy s SER 593 CO 0.18 -0.59 2.02 1.05 0.98 0.00 0.00 173.24 176.89 3koy h GLU 594 N 0.72 0.00 0.06 4.02 9.09 -2.00 -2.16 114.58 124.32 3koy h GLU 594 Ca -0.46 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 58.69 3koy h GLU 594 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 3koy h GLU 594 CO 0.62 0.00 -1.27 -0.44 0.05 0.00 0.00 179.01 177.98 3koy h ASP 595 N 0.00 0.21 0.77 3.06 5.19 -1.99 -2.58 116.42 121.09 3koy h ASP 595 Ca 0.20 -0.26 -0.16 0.00 -0.62 0.00 0.00 57.03 56.19 3koy h ASP 595 Cb 0.83 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 3koy h ASP 595 CO -0.00 1.21 -0.78 -0.33 -3.12 0.00 0.00 179.24 176.21 3koy h GLU 596 N 0.04 0.00 0.08 3.56 3.07 -1.80 -2.41 114.58 117.13 3koy h GLU 596 Ca -0.13 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3koy h GLU 596 Cb 1.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.82 3koy h GLU 596 CO 0.15 0.78 -0.04 0.82 -1.40 0.00 0.00 179.01 179.33 3koy h ILE 597 N 0.00 1.15 -1.20 3.13 2.04 -1.50 -2.59 117.51 118.54 3koy h ILE 597 Ca -0.01 -1.38 0.35 0.00 1.00 0.00 0.00 64.86 64.82 3koy h ILE 597 Cb 1.38 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 39.38 3koy h ILE 597 CO 0.10 0.31 0.86 -0.09 0.00 0.00 0.00 178.15 179.33 3koy h ARG 598 N -0.80 0.03 0.09 2.37 2.43 -1.53 -1.95 114.38 115.02 3koy h ARG 598 Ca -0.01 -0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 3koy h ARG 598 Cb 0.60 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3koy h ARG 598 CO 0.02 0.02 -1.15 0.93 -1.51 0.00 0.00 179.97 178.28 3koy h GLU 599 N 0.03 0.39 -0.13 0.20 5.08 -1.25 -3.27 114.58 115.63 3koy h GLU 599 Ca 0.58 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3koy h GLU 599 Cb 2.26 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.69 3koy h GLU 599 CO -0.04 1.22 -0.25 0.22 -1.00 0.00 0.00 179.01 179.16 3koy h ASP 600 N 0.16 0.45 -0.43 1.42 3.58 -0.96 -3.21 116.42 117.44 3koy h ASP 600 Ca -0.13 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 56.77 3koy h ASP 600 Cb 1.83 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.73 3koy h ASP 600 CO 0.20 0.92 0.27 0.40 -2.88 0.00 0.00 179.24 178.14 3koy h ILE 601 N 0.00 1.12 -0.14 2.25 1.08 -1.63 0.51 117.51 120.71 3koy h ILE 601 Ca 0.01 -0.27 -0.11 0.00 -0.39 0.00 0.00 64.86 64.10 3koy h ILE 601 Cb 0.83 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3koy h ILE 601 CO 0.06 0.13 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.18 3koy h GLU 602 N 0.60 0.30 0.02 2.37 4.81 -1.61 -1.18 114.58 119.89 3koy h GLU 602 Ca 0.16 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3koy h GLU 602 Cb -0.03 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3koy h GLU 602 CO -0.03 0.64 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.53 3koy h LYS 603 N 0.25 0.05 -2.99 1.92 3.64 -1.28 -3.41 116.57 114.75 3koy h LYS 603 Ca 0.03 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 58.70 3koy h LYS 603 Cb 0.79 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.24 3koy h LYS 603 CO 0.06 1.03 -0.73 0.99 -2.27 0.00 0.00 179.45 178.54 3koy s THR 604 N -2.29 1.57 0.40 1.00 2.01 0.17 -5.11 115.64 113.37 3koy s THR 604 Ca -0.18 -2.77 -0.26 0.00 0.31 0.00 0.00 61.69 58.79 3koy s THR 604 Cb -0.02 -2.09 -0.11 0.00 0.01 0.00 0.00 72.50 70.29 3koy s THR 604 CO 0.71 -0.92 1.16 -2.65 -0.69 0.00 0.00 174.62 172.24 3koy n PRO 605 N 3.33 1.71 -4.26 4.92 -0.02 -0.45 -4.26 135.00 135.97 3koy n PRO 605 Ca 0.10 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 3koy n PRO 605 Cb 0.35 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 3koy n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3koy s LEU 606 N -0.98 3.65 -0.06 2.45 2.96 -1.26 -5.04 118.68 120.40 3koy s LEU 606 Ca 0.61 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3koy s LEU 606 Cb -0.55 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.28 3koy s LEU 606 CO 0.58 0.31 -0.15 -0.75 -1.32 0.00 0.00 176.35 175.03 3koy s LYS 607 N -0.48 1.83 0.05 1.98 2.20 -1.26 -1.20 119.74 122.86 3koy s LYS 607 Ca 0.09 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.23 3koy s LYS 607 Cb -0.12 -1.52 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 3koy s LYS 607 CO 0.02 0.13 -0.17 0.42 -0.36 0.00 0.00 175.35 175.39 3koy s ILE 608 N 0.36 1.34 0.06 5.43 1.09 0.17 -1.55 121.20 128.11 3koy s ILE 608 Ca -0.10 -1.12 0.03 0.00 -1.10 0.00 0.00 60.65 58.35 3koy s ILE 608 Cb -0.14 -1.20 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 3koy s ILE 608 CO 0.04 0.05 0.05 0.68 -0.10 0.00 0.00 174.94 175.66 3koy s VAL 609 N -0.88 4.40 -0.01 2.92 -7.23 -1.04 0.59 120.40 119.14 3koy s VAL 609 Ca 0.04 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.26 3koy s VAL 609 Cb -0.08 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 33.82 3koy s VAL 609 CO 0.02 0.19 0.45 0.00 -0.31 0.00 0.00 175.10 175.44 3koy s ALA 610 N -1.30 -1.14 -0.24 1.32 0.00 -0.24 -1.85 121.76 118.30 3koy s ALA 610 Ca 0.26 0.64 -0.35 0.00 0.00 0.00 0.00 51.96 52.51 3koy s ALA 610 Cb -0.12 0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.26 3koy s ALA 610 CO 0.19 -0.33 1.28 0.00 0.00 0.00 0.00 175.76 176.89 3koy s ALA 611 N -1.51 -2.12 -0.31 0.00 0.00 -1.04 -1.73 121.76 115.05 3koy s ALA 611 Ca -0.11 1.76 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 3koy s ALA 611 Cb -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3koy s ALA 611 CO 0.05 -0.50 0.85 0.99 0.00 0.00 0.00 175.76 177.15 3koy s THR 612 N -1.97 4.73 0.02 0.00 2.01 -0.62 -1.62 115.64 118.19 3koy s THR 612 Ca 0.09 1.28 -0.08 0.00 0.31 0.00 0.00 61.69 63.30 3koy s THR 612 Cb -0.01 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3koy s THR 612 CO -0.04 -0.31 0.30 -0.69 -0.69 0.00 0.00 174.62 173.19 3koy s VAL 613 N 3.10 5.26 0.00 3.82 1.01 -0.79 -1.99 120.40 130.81 3koy s VAL 613 Ca 0.35 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3koy s VAL 613 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3koy s VAL 613 CO 0.13 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3koy n GLY 614 N 1.14 0.57 2.78 4.51 0.00 -0.32 -4.36 105.19 109.51 3koy n GLY 614 Ca -0.11 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 3koy n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3koy n GLU 615 N 3.05 4.17 -3.84 1.61 1.02 -1.26 -3.43 120.64 121.96 3koy n GLU 615 Ca 0.00 -4.65 -0.25 0.00 -0.02 0.00 0.00 57.16 52.24 3koy n GLU 615 Cb 0.00 -2.42 -0.17 0.00 -0.02 0.00 0.00 31.44 28.83 3koy n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3koy s ASP 616 N -2.04 2.07 0.00 1.62 3.68 -1.26 -4.97 116.67 115.77 3koy s ASP 616 Ca 0.37 -0.29 0.17 0.00 2.13 0.00 0.00 52.55 54.93 3koy s ASP 616 Cb 0.13 -0.67 0.49 0.00 -1.45 0.00 0.00 42.92 41.41 3koy s ASP 616 CO -0.00 -0.17 1.40 -0.62 0.13 0.00 0.00 175.17 175.91 3koy n GLU 617 N 5.02 2.22 -2.39 4.34 -0.58 -1.26 -0.93 120.64 127.06 3koy n GLU 617 Ca -0.10 -1.90 -0.39 0.00 -0.42 0.00 0.00 57.16 54.35 3koy n GLU 617 Cb 0.50 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 3koy n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3koy s HIS 618 N -1.33 2.13 -0.06 -0.32 3.76 -1.26 -4.84 115.29 113.37 3koy s HIS 618 Ca 0.36 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.43 3koy s HIS 618 Cb 0.19 -4.47 -0.24 0.00 1.11 0.00 0.00 32.58 29.17 3koy s HIS 618 CO 0.25 -2.09 0.58 -1.13 -0.85 0.00 0.00 174.74 171.50 3koy n SER 619 N 10.44 1.14 0.22 1.40 3.41 -1.26 -4.62 113.62 124.36 3koy n SER 619 Ca 0.14 0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.96 3koy n SER 619 Cb 0.50 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 3koy n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3koy h VAL 620 N 0.02 0.28 -0.92 -3.33 2.07 -1.99 -2.74 116.25 109.64 3koy h VAL 620 Ca -0.32 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.45 3koy h VAL 620 Cb 2.02 0.28 -0.16 0.00 -1.52 0.00 0.00 31.29 31.91 3koy h VAL 620 CO 0.08 0.00 0.09 1.23 0.02 0.00 0.00 177.57 178.99 3koy h GLY 621 N -0.72 1.24 0.58 2.17 0.00 -2.00 0.38 103.07 104.72 3koy h GLY 621 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 3koy h GLY 621 CO -0.07 -0.45 -0.37 -2.00 0.00 0.00 0.00 176.54 173.65 3koy h LEU 622 N 0.07 0.34 -2.37 3.11 5.85 -1.83 -2.81 115.31 117.67 3koy h LEU 622 Ca 0.57 -0.76 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3koy h LEU 622 Cb 1.16 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3koy h LEU 622 CO -0.81 1.05 0.12 0.03 -0.34 0.00 0.00 178.44 178.49 3koy h ARG 623 N -0.34 0.00 -0.33 1.25 3.08 -0.61 -1.84 114.38 115.59 3koy h ARG 623 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3koy h ARG 623 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 3koy h ARG 623 CO 0.07 0.00 -0.19 1.49 -1.07 0.00 0.00 179.97 180.27 3koy h GLU 624 N 0.00 0.62 -0.34 0.04 4.57 -0.09 -0.84 114.58 118.53 3koy h GLU 624 Ca 0.05 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3koy h GLU 624 Cb 0.29 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3koy h GLU 624 CO -0.00 0.77 0.00 1.33 -1.18 0.00 0.00 179.01 179.93 3koy n VAL 625 N -4.14 0.44 -0.08 0.32 0.24 -0.70 -4.27 118.33 110.14 3koy n VAL 625 Ca 0.00 -0.60 -0.17 0.00 -2.04 0.00 0.00 64.34 61.54 3koy n VAL 625 Cb 0.39 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 3koy n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3koy n ILE 626 N 0.99 0.95 -1.70 1.34 5.41 -1.10 -0.17 119.36 125.09 3koy n ILE 626 Ca 0.18 -0.20 -0.44 0.00 1.00 0.00 0.00 62.75 63.29 3koy n ILE 626 Cb 0.48 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 3koy n ILE 626 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3koy n ASP 627 N -3.77 3.53 0.01 4.38 9.92 -0.34 -2.18 116.55 128.09 3koy n ASP 627 Ca -0.31 1.08 -0.00 0.00 -0.53 0.00 0.00 54.79 55.03 3koy n ASP 627 Cb 0.70 -1.50 0.30 0.00 -0.64 0.00 0.00 41.12 39.98 3koy n ASP 627 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3koy h ILE 628 N 3.64 1.20 -0.96 0.53 2.10 -1.90 -1.38 117.51 120.74 3koy h ILE 628 Ca -0.44 -0.80 0.37 0.00 1.08 0.00 0.00 64.86 65.07 3koy h ILE 628 Cb 1.23 0.98 -0.14 0.00 -1.09 0.00 0.00 36.82 37.81 3koy h ILE 628 CO 0.90 0.27 0.57 1.17 -1.08 0.00 0.00 178.15 179.99 3koy n LYS 629 N -4.27 -0.04 -2.08 2.19 3.00 -1.26 -0.14 118.16 115.55 3koy n LYS 629 Ca 0.01 1.11 -0.14 0.00 -0.00 0.00 0.00 58.31 59.28 3koy n LYS 629 Cb 0.25 -2.06 0.04 0.00 0.00 0.00 0.00 35.03 33.27 3koy n LYS 629 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3koy n HIS 630 N -4.67 2.03 -3.40 5.64 8.25 -0.91 -4.97 115.22 117.20 3koy n HIS 630 Ca 0.32 -2.07 -0.17 0.00 -0.26 0.00 0.00 57.72 55.54 3koy n HIS 630 Cb 1.17 -0.30 0.09 0.00 1.12 0.00 0.00 29.99 32.07 3koy n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3koy n GLY 631 N -0.68 -0.41 3.15 -1.41 0.00 0.80 -4.52 105.19 102.12 3koy n GLY 631 Ca 0.31 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 3koy n GLY 631 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koy n GLY 632 N -1.14 -1.01 0.17 -0.02 0.00 -0.57 -1.59 105.19 101.03 3koy n GLY 632 Ca -0.27 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.12 3koy n GLY 632 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3koy h ILE 633 N -1.41 0.00 0.00 -0.61 3.07 -0.13 -3.02 117.51 115.41 3koy h ILE 633 Ca -0.33 -0.48 -0.11 0.00 1.55 0.00 0.00 64.86 65.49 3koy h ILE 633 Cb 0.97 1.39 -0.02 0.00 -0.27 0.00 0.00 36.82 38.90 3koy h ILE 633 CO 0.26 0.00 -0.50 1.05 -1.05 0.00 0.00 178.15 177.90 3koy h GLU 634 N 0.00 0.00 -1.00 0.16 4.11 -1.66 -1.23 114.58 114.95 3koy h GLU 634 Ca 0.00 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.65 3koy h GLU 634 Cb 0.60 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 3koy h GLU 634 CO 0.00 0.50 0.61 -0.22 0.07 0.00 0.00 179.01 179.98 3koy h LYS 635 N 0.00 0.62 -0.00 1.06 3.64 -1.75 -1.27 116.57 118.87 3koy h LYS 635 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3koy h LYS 635 Cb 0.92 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3koy h LYS 635 CO 0.07 0.41 -0.14 0.66 -2.27 0.00 0.00 179.45 178.18 3koy n TYR 636 N -4.79 0.00 -0.13 1.91 4.01 -0.48 -4.89 117.16 112.79 3koy n TYR 636 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 3koy n TYR 636 Cb 0.68 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3koy n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3koy n GLY 637 N 1.29 0.93 3.70 2.72 0.00 -0.48 -4.50 105.19 108.84 3koy n GLY 637 Ca 0.14 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3koy n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3koy s VAL 638 N -2.00 4.07 -0.13 1.61 1.01 -1.14 -4.67 120.40 119.14 3koy s VAL 638 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 3koy s VAL 638 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3koy s VAL 638 CO 0.00 0.03 1.43 -0.70 0.00 0.00 0.00 175.10 175.86 3koy s GLU 639 N 1.89 4.18 -0.05 2.72 2.12 -0.34 -4.48 118.70 124.74 3koy s GLU 639 Ca 0.58 1.84 0.02 0.00 0.36 0.00 0.00 54.97 57.77 3koy s GLU 639 Cb -0.28 -3.87 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 3koy s GLU 639 CO 0.25 -0.80 -0.08 0.08 -0.54 0.00 0.00 175.26 174.17 3koy s VAL 640 N 3.82 3.60 -0.28 3.70 1.01 -1.26 0.46 120.40 131.45 3koy s VAL 640 Ca 0.63 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3koy s VAL 640 Cb -0.26 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.71 3koy s VAL 640 CO 0.21 0.56 -0.06 -1.00 0.00 0.00 0.00 175.10 174.81 3koy s HIS 641 N -0.83 3.40 -0.06 5.22 3.76 0.20 -4.89 115.29 122.09 3koy s HIS 641 Ca 0.13 -2.52 -0.16 0.00 -0.15 0.00 0.00 55.06 52.35 3koy s HIS 641 Cb -0.11 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 3koy s HIS 641 CO 0.02 -0.90 0.43 -0.47 -0.85 0.00 0.00 174.74 172.98 3koy s TYR 642 N 1.05 3.62 -0.70 1.40 5.04 -1.26 -1.08 117.35 125.41 3koy s TYR 642 Ca -0.03 0.93 0.08 0.00 -2.44 0.00 0.00 57.07 55.61 3koy s TYR 642 Cb -0.20 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 39.68 3koy s TYR 642 CO -0.06 0.41 0.53 1.28 -1.34 0.00 0.00 175.55 176.37 3koy n LEU 643 N 2.75 0.98 0.00 6.97 4.77 -0.71 -4.96 117.00 126.79 3koy n LEU 643 Ca -0.11 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3koy n LEU 643 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3koy n LEU 643 CO 0.40 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3koy n GLY 644 N 0.88 -1.80 3.96 -0.72 0.00 -1.26 -4.89 105.19 101.35 3koy n GLY 644 Ca 0.03 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 3koy n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3koy s THR 645 N 0.00 2.28 -1.47 2.61 -4.23 -1.26 -1.59 115.64 111.98 3koy s THR 645 Ca 0.00 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3koy s THR 645 Cb 0.00 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3koy s THR 645 CO 0.00 0.00 0.15 -1.20 -0.54 0.00 0.00 174.62 173.03 3koy n SER 646 N -2.89 -5.13 -4.64 3.99 7.64 -0.11 -4.86 113.62 107.63 3koy n SER 646 Ca 0.11 -0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 3koy n SER 646 Cb 0.60 -4.27 -0.07 0.00 -1.01 0.00 0.00 64.21 59.47 3koy n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3koy s VAL 647 N -2.92 5.03 0.38 0.44 1.01 -0.97 -4.74 120.40 118.63 3koy s VAL 647 Ca 0.09 1.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.88 3koy s VAL 647 Cb -0.04 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 3koy s VAL 647 CO 0.11 0.09 0.80 -2.65 0.00 0.00 0.00 175.10 173.45 3koy n PRO 648 N 5.35 0.96 -0.13 2.72 -0.02 -1.26 -1.17 135.00 141.45 3koy n PRO 648 Ca -0.02 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 3koy n PRO 648 Cb 0.50 -1.72 0.29 0.00 -0.02 0.00 0.00 33.50 32.55 3koy n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3koy h VAL 649 N 1.32 1.17 0.16 -1.45 2.07 -1.96 -2.44 116.25 115.13 3koy h VAL 649 Ca -0.41 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 66.43 3koy h VAL 649 Cb 1.37 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3koy h VAL 649 CO 0.56 0.18 -1.36 -0.08 0.02 0.00 0.00 177.57 176.88 3koy h GLU 650 N 0.83 0.35 -0.96 1.57 4.81 -1.93 -3.01 114.58 116.23 3koy h GLU 650 Ca 0.22 -0.59 0.29 0.00 -0.13 0.00 0.00 59.36 59.15 3koy h GLU 650 Cb -0.02 0.22 -0.18 0.00 0.63 0.00 0.00 28.75 29.40 3koy h GLU 650 CO -0.04 1.27 0.12 1.17 -0.73 0.00 0.00 179.01 180.80 3koy n LYS 651 N -3.57 -0.07 -0.06 1.92 3.00 -0.93 0.13 118.16 118.57 3koy n LYS 651 Ca -0.12 1.41 -0.15 0.00 -0.00 0.00 0.00 58.31 59.45 3koy n LYS 651 Cb 1.05 -2.30 -0.06 0.00 0.00 0.00 0.00 35.03 33.72 3koy n LYS 651 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3koy h LEU 652 N 0.00 0.85 -0.40 3.14 5.85 -1.48 -1.32 115.31 121.94 3koy h LEU 652 Ca 0.63 -0.57 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 3koy h LEU 652 Cb 1.40 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3koy h LEU 652 CO -0.87 1.26 -0.44 0.58 -0.34 0.00 0.00 178.44 178.63 3koy h VAL 653 N 0.47 1.28 -0.43 1.05 2.07 -0.18 0.88 116.25 121.39 3koy h VAL 653 Ca -0.01 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 65.97 3koy h VAL 653 Cb 1.15 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3koy h VAL 653 CO 0.12 0.53 -0.00 0.44 0.02 0.00 0.00 177.57 178.68 3koy h ASP 654 N 0.70 -0.18 -0.63 0.57 3.32 0.11 -1.60 116.42 118.71 3koy h ASP 654 Ca 0.04 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3koy h ASP 654 Cb 1.03 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 3koy h ASP 654 CO 0.10 -0.05 0.15 0.00 -1.72 0.00 0.00 179.24 177.72 3koy h ALA 655 N 1.38 1.03 -0.77 3.45 0.00 -0.88 -0.99 119.26 122.48 3koy h ALA 655 Ca 0.21 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3koy h ALA 655 Cb 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3koy h ALA 655 CO -0.35 0.63 0.44 0.00 0.00 0.00 0.00 179.25 179.97 3koy h ALA 656 N 1.17 1.08 -0.14 0.00 0.00 -0.19 -2.24 119.26 118.94 3koy h ALA 656 Ca 0.21 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3koy h ALA 656 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3koy h ALA 656 CO 0.00 0.10 -0.29 0.82 0.00 0.00 0.00 179.25 179.88 3koy h ILE 657 N 0.78 1.37 -0.85 0.00 2.04 -0.60 0.11 117.51 120.35 3koy h ILE 657 Ca 0.36 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3koy h ILE 657 Cb 0.28 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 3koy h ILE 657 CO -0.22 0.46 0.55 -0.08 0.00 0.00 0.00 178.15 178.86 3koy h GLU 658 N 0.04 1.14 -0.01 2.37 4.81 -0.96 -1.82 114.58 120.15 3koy h GLU 658 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3koy h GLU 658 Cb 0.89 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3koy h GLU 658 CO 0.06 0.77 -0.07 1.28 -0.73 0.00 0.00 179.01 180.33 3koy n LEU 659 N -4.47 1.01 -3.73 1.64 4.77 -0.86 -4.93 117.00 110.43 3koy n LEU 659 Ca 0.09 -0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 3koy n LEU 659 Cb 0.03 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3koy n LEU 659 CO 0.37 0.17 -0.06 2.29 -1.33 0.00 0.00 177.39 178.83 3koy n LYS 660 N -0.35 -4.88 -1.18 3.23 2.85 -0.68 -4.94 118.16 112.21 3koy n LYS 660 Ca 0.18 0.61 -0.34 0.00 -1.05 0.00 0.00 58.31 57.70 3koy n LYS 660 Cb 0.30 -5.17 0.12 0.00 -0.65 0.00 0.00 35.03 29.63 3koy n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3koy n ALA 661 N -4.31 -0.07 0.96 0.58 0.00 0.37 -4.92 120.51 113.12 3koy n ALA 661 Ca -0.27 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 52.98 3koy n ALA 661 Cb 0.67 -2.22 0.06 0.00 0.00 0.00 0.00 19.45 17.96 3koy n ALA 661 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3koy n ASP 662 N -2.86 0.73 -3.49 0.00 8.00 -0.59 -4.92 116.55 113.42 3koy n ASP 662 Ca 0.13 -0.59 -0.09 0.00 0.71 0.00 0.00 54.79 54.96 3koy n ASP 662 Cb 0.50 0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 42.22 3koy n ASP 662 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koy s ALA 663 N -3.02 -1.77 0.02 2.24 0.00 -1.19 -2.43 121.76 115.62 3koy s ALA 663 Ca 0.09 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.01 3koy s ALA 663 Cb 0.17 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3koy s ALA 663 CO 0.79 -0.71 -0.23 0.42 0.00 0.00 0.00 175.76 176.02 3koy s ILE 664 N -3.27 1.85 -0.10 0.00 1.01 0.36 -2.50 121.20 118.56 3koy s ILE 664 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3koy s ILE 664 Cb -0.01 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.92 3koy s ILE 664 CO -0.10 0.38 -0.04 -0.76 0.00 0.00 0.00 174.94 174.42 3koy s LEU 665 N -0.92 0.95 -0.10 2.97 1.43 -0.77 -0.79 118.68 121.45 3koy s LEU 665 Ca 0.09 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3koy s LEU 665 Cb -0.09 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3koy s LEU 665 CO 0.01 -0.15 -0.16 0.00 0.23 0.00 0.00 176.35 176.28 3koy s ALA 666 N 1.81 2.53 0.05 4.21 0.00 0.14 -2.50 121.76 128.01 3koy s ALA 666 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3koy s ALA 666 Cb -0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3koy s ALA 666 CO -0.07 0.33 0.25 0.45 0.00 0.00 0.00 175.76 176.71 3koy s SER 667 N 0.10 6.41 -0.44 0.00 0.15 -0.64 -1.63 113.70 117.65 3koy s SER 667 Ca -0.07 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.03 3koy s SER 667 Cb -0.15 -2.01 0.18 0.00 -1.71 0.00 0.00 66.02 62.32 3koy s SER 667 CO 0.05 0.18 0.57 0.28 1.20 0.00 0.00 173.24 175.52 3koy s THR 668 N -1.47 -0.68 -0.21 6.45 -1.32 -0.80 -1.89 115.64 115.73 3koy s THR 668 Ca 0.33 -0.90 -0.19 0.00 -1.21 0.00 0.00 61.69 59.72 3koy s THR 668 Cb -0.13 -0.31 -0.16 0.00 -1.51 0.00 0.00 72.50 70.40 3koy s THR 668 CO 0.24 -0.29 0.07 -0.38 -2.21 0.00 0.00 174.62 172.05 3koy n ILE 669 N 3.67 1.52 -1.93 5.08 2.08 -1.26 -4.38 119.36 124.13 3koy n ILE 669 Ca 0.16 -0.04 -0.41 0.00 0.56 0.00 0.00 62.75 63.02 3koy n ILE 669 Cb 0.53 -2.07 -0.02 0.00 -0.75 0.00 0.00 39.64 37.33 3koy n ILE 669 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3koy s ILE 670 N -2.38 2.40 0.00 1.39 1.01 -1.26 -4.67 121.20 117.70 3koy s ILE 670 Ca -0.28 0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3koy s ILE 670 Cb 0.07 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3koy s ILE 670 CO 0.53 0.07 0.00 -1.54 0.00 0.00 0.00 174.94 174.00 3koy n SER 671 N 1.56 3.86 -4.69 3.58 3.41 -1.26 -4.01 113.62 116.06 3koy n SER 671 Ca 0.04 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 3koy n SER 671 Cb 0.40 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 3koy n SER 671 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3koy s HIS 672 N -1.67 2.68 0.00 7.33 5.65 -1.26 -1.37 115.29 126.65 3koy s HIS 672 Ca 0.00 0.56 0.00 0.00 0.25 0.00 0.00 55.06 55.87 3koy s HIS 672 Cb 0.00 -3.84 0.00 0.00 -1.18 0.00 0.00 32.58 27.56 3koy s HIS 672 CO 0.00 -3.23 0.00 -3.47 -0.65 0.00 0.00 174.74 167.39 3koy n ASP 673 N 5.27 -0.04 -1.68 9.88 -0.08 -1.26 -3.93 116.55 124.72 3koy n ASP 673 Ca 0.14 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.25 3koy n ASP 673 Cb 0.42 -0.01 -0.03 0.00 2.34 0.00 0.00 41.12 43.83 3koy n ASP 673 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3koy n ASP 674 N 0.00 -5.02 0.26 1.67 10.43 -0.47 -4.88 116.55 118.54 3koy n ASP 674 Ca 0.00 0.16 0.18 0.00 2.57 0.00 0.00 54.79 57.70 3koy n ASP 674 Cb 0.00 -4.08 0.88 0.00 1.84 0.00 0.00 41.12 39.77 3koy n ASP 674 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3koy h ILE 675 N 0.00 0.20 0.11 0.53 6.09 -1.68 -1.50 117.51 121.26 3koy h ILE 675 Ca -0.38 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 62.83 3koy h ILE 675 Cb 1.22 0.77 0.02 0.00 0.47 0.00 0.00 36.82 39.30 3koy h ILE 675 CO 0.49 0.00 -1.21 1.12 -3.07 0.00 0.00 178.15 175.48 3koy h HIS 676 N 0.00 0.80 0.00 2.19 2.07 -1.80 -2.25 115.15 116.16 3koy h HIS 676 Ca 0.06 -0.51 -0.20 0.00 -2.85 0.00 0.00 60.37 56.86 3koy h HIS 676 Cb 0.56 -0.06 -0.03 0.00 2.57 0.00 0.00 27.41 30.45 3koy h HIS 676 CO 0.00 1.37 -1.03 1.88 -3.07 0.00 0.00 177.93 177.08 3koy h TYR 677 N 0.20 0.00 0.05 6.12 0.05 -1.80 -3.33 116.97 118.26 3koy h TYR 677 Ca -0.16 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 3koy h TYR 677 Cb 1.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.63 3koy h TYR 677 CO 0.09 0.89 -0.02 0.87 -1.05 0.00 0.00 178.16 178.94 3koy h LYS 678 N 0.00 -0.07 0.00 4.88 1.57 -1.30 -2.96 116.57 118.69 3koy h LYS 678 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3koy h LYS 678 Cb 1.73 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.05 3koy h LYS 678 CO 0.11 0.04 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.06 3koy h ASN 679 N -0.16 0.00 0.54 0.86 2.35 -1.53 0.12 115.58 117.76 3koy h ASN 679 Ca -0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3koy h ASN 679 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3koy h ASN 679 CO 0.01 0.05 -0.63 0.24 -1.65 0.00 0.00 177.43 175.46 3koy h MET 680 N 0.00 0.08 0.81 0.81 2.86 -1.63 -2.76 114.93 115.11 3koy h MET 680 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3koy h MET 680 Cb 0.15 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.83 3koy h MET 680 CO 0.01 0.69 -0.39 -0.22 1.06 0.00 0.00 176.91 178.05 3koy h LYS 681 N 0.06 -1.05 -0.96 1.72 3.64 -0.86 -2.41 116.57 116.70 3koy h LYS 681 Ca -0.01 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.60 3koy h LYS 681 Cb 1.12 0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 33.09 3koy h LYS 681 CO 0.09 -0.70 0.57 0.00 -2.27 0.00 0.00 179.45 177.15 3koy h ARG 682 N -1.11 0.77 0.31 1.90 3.08 -1.49 -1.86 114.38 115.99 3koy h ARG 682 Ca -0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3koy h ARG 682 Cb 0.84 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3koy h ARG 682 CO 0.18 0.51 -0.15 0.82 -1.07 0.00 0.00 179.97 180.26 3koy h ILE 683 N 0.80 0.71 -0.55 2.04 2.04 -1.46 0.03 117.51 121.12 3koy h ILE 683 Ca 0.53 -0.44 0.10 0.00 1.00 0.00 0.00 64.86 66.04 3koy h ILE 683 Cb 0.72 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 3koy h ILE 683 CO -0.34 0.09 0.13 -0.74 0.00 0.00 0.00 178.15 177.28 3koy h HIS 684 N -0.67 0.21 -0.19 1.37 -0.00 -1.19 -2.21 115.15 112.46 3koy h HIS 684 Ca -0.04 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 3koy h HIS 684 Cb 0.47 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.87 3koy h HIS 684 CO 0.01 0.00 -0.17 0.93 -0.00 0.00 0.00 177.93 178.70 3koy h GLU 685 N 0.27 0.46 -0.77 5.26 5.08 -1.29 -2.30 114.58 121.29 3koy h GLU 685 Ca 0.28 -0.23 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3koy h GLU 685 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3koy h GLU 685 CO -0.35 0.80 0.50 -0.07 -1.00 0.00 0.00 179.01 178.89 3koy h LEU 686 N 0.13 0.53 -0.60 1.33 3.38 -0.87 0.31 115.31 119.51 3koy h LEU 686 Ca 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3koy h LEU 686 Cb 0.71 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3koy h LEU 686 CO 0.04 0.30 -0.40 0.00 0.09 0.00 0.00 178.44 178.47 3koy h ALA 687 N 1.63 0.87 0.17 1.53 0.00 -1.09 -3.06 119.26 119.30 3koy h ALA 687 Ca 0.37 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3koy h ALA 687 Cb 0.63 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3koy h ALA 687 CO -0.13 0.50 -1.41 -0.24 0.00 0.00 0.00 179.25 177.97 3koy h VAL 688 N 0.00 1.33 0.00 0.00 3.04 -0.65 0.38 116.25 120.35 3koy h VAL 688 Ca -0.00 -2.87 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 3koy h VAL 688 Cb 1.06 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 3koy h VAL 688 CO 0.05 0.85 0.00 1.21 -1.01 0.00 0.00 177.57 178.67 3koy n GLU 689 N -3.57 0.89 0.00 4.17 2.13 -0.03 -2.35 120.64 121.88 3koy n GLU 689 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 3koy n GLU 689 Cb 1.06 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.52 3koy n GLU 689 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3koy n LYS 690 N -0.20 2.75 0.00 5.31 4.76 -1.17 -5.02 118.16 124.60 3koy n LYS 690 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3koy n LYS 690 Cb 0.12 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 3koy n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3koy n GLY 691 N 0.40 2.91 0.16 0.72 0.00 -0.99 -4.90 105.19 103.49 3koy n GLY 691 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3koy n GLY 691 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3koy h ILE 692 N 0.00 0.00 0.00 -0.61 3.07 -1.72 -3.38 117.51 114.87 3koy h ILE 692 Ca 0.00 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.64 3koy h ILE 692 Cb 0.00 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3koy h ILE 692 CO 0.00 0.00 0.00 -1.14 -1.05 0.00 0.00 178.15 175.96 3koy n ARG 693 N -2.71 0.00 -0.13 0.16 3.00 0.13 0.14 116.66 117.26 3koy n ARG 693 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 3koy n ARG 693 Cb 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.76 3koy n ARG 693 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3koy n ASP 694 N -0.61 0.21 -0.25 6.15 5.75 -1.26 -4.69 116.55 121.84 3koy n ASP 694 Ca 0.00 -1.38 0.07 0.00 -0.01 0.00 0.00 54.79 53.47 3koy n ASP 694 Cb 0.00 -0.06 0.11 0.00 -1.03 0.00 0.00 41.12 40.14 3koy n ASP 694 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3koy n LYS 695 N -0.08 0.97 -3.83 0.11 4.81 0.12 -5.04 118.16 115.23 3koy n LYS 695 Ca 0.00 -2.26 -0.12 0.00 -0.87 0.00 0.00 58.31 55.07 3koy n LYS 695 Cb 0.54 -1.24 -0.12 0.00 0.02 0.00 0.00 35.03 34.24 3koy n LYS 695 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3koy s ILE 696 N -2.16 0.03 0.00 3.15 2.07 -1.08 -4.91 121.20 118.30 3koy s ILE 696 Ca 0.25 -0.24 -0.08 0.00 -1.41 0.00 0.00 60.65 59.17 3koy s ILE 696 Cb 0.23 -0.31 -0.05 0.00 0.13 0.00 0.00 42.46 42.46 3koy s ILE 696 CO 0.01 -0.13 0.29 -0.04 -1.91 0.00 0.00 174.94 173.16 3koy s MET 697 N -0.42 3.64 -0.10 3.50 -1.94 -1.02 -4.88 119.30 118.09 3koy s MET 697 Ca -0.05 0.03 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 3koy s MET 697 Cb -0.03 -3.10 -0.00 0.00 2.01 0.00 0.00 34.83 33.70 3koy s MET 697 CO 0.01 0.66 -0.23 0.42 -0.01 0.00 0.00 175.02 175.87 3koy s ILE 698 N -1.25 2.17 0.01 2.53 1.01 -1.26 -0.48 121.20 123.92 3koy s ILE 698 Ca 0.26 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3koy s ILE 698 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3koy s ILE 698 CO 0.14 0.56 -0.15 -0.83 0.00 0.00 0.00 174.94 174.66 3koy s GLY 699 N 0.29 0.76 0.15 6.18 0.00 0.03 -1.68 107.32 113.06 3koy s GLY 699 Ca -0.17 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3koy s GLY 699 CO 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 173.10 172.55 3koy s GLY 701 N -3.12 -0.47 -0.06 0.00 0.00 -0.64 0.74 107.32 103.76 3koy s GLY 701 Ca 0.22 0.92 -0.32 0.00 0.00 0.00 0.00 44.72 45.54 3koy s GLY 701 CO 0.02 0.30 1.26 -0.32 0.00 0.00 0.00 173.10 174.36 3koy s GLY 702 N -2.53 -0.37 0.16 0.20 0.00 0.01 -1.90 107.32 102.89 3koy s GLY 702 Ca 0.05 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.55 3koy s GLY 702 CO -0.09 0.24 1.68 -0.84 0.00 0.00 0.00 173.10 174.09 3koy h THR 703 N 2.00 0.64 -0.80 0.90 2.02 -1.83 -2.61 112.91 113.23 3koy h THR 703 Ca -0.24 -0.01 -0.36 0.00 0.77 0.00 0.00 66.41 66.58 3koy h THR 703 Cb 1.19 0.62 -0.21 0.00 -1.74 0.00 0.00 68.15 68.01 3koy h THR 703 CO 0.27 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.61 3koy n GLN 704 N -5.27 2.62 -3.40 6.66 1.13 -1.26 -4.21 117.38 113.64 3koy n GLN 704 Ca 0.02 -2.68 -0.40 0.00 -1.94 0.00 0.00 57.00 51.99 3koy n GLN 704 Cb 0.20 -2.07 -0.09 0.00 0.11 0.00 0.00 30.24 28.39 3koy n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3koy s VAL 705 N -2.83 5.17 -0.23 5.09 1.01 -0.98 -5.04 120.40 122.59 3koy s VAL 705 Ca 0.50 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 3koy s VAL 705 Cb 0.41 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3koy s VAL 705 CO 0.11 0.05 0.63 -0.89 0.00 0.00 0.00 175.10 174.99 3koy s THR 706 N 2.04 5.00 0.61 3.92 2.01 -1.26 -3.96 115.64 124.00 3koy s THR 706 Ca 0.13 1.16 0.44 0.00 0.31 0.00 0.00 61.69 63.72 3koy s THR 706 Cb -0.16 -3.94 0.44 0.00 0.01 0.00 0.00 72.50 68.85 3koy s THR 706 CO 0.11 0.07 2.33 -0.65 -0.69 0.00 0.00 174.62 175.79 3koy h PRO 707 N 7.69 0.00 0.00 4.92 0.11 -1.90 -0.11 132.00 142.71 3koy h PRO 707 Ca -0.29 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 3koy h PRO 707 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3koy h PRO 707 CO 0.77 0.00 -1.19 0.93 -0.21 0.00 0.00 178.00 178.30 3koy h GLU 708 N 0.00 0.00 0.02 1.05 3.07 -1.93 -3.30 114.58 113.49 3koy h GLU 708 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 3koy h GLU 708 Cb 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3koy h GLU 708 CO 0.00 0.27 -1.01 0.28 -1.40 0.00 0.00 179.01 177.15 3koy h VAL 709 N 0.00 1.66 -0.00 3.13 2.07 -1.45 -3.35 116.25 118.31 3koy h VAL 709 Ca -0.11 -3.26 0.00 0.00 0.82 0.00 0.00 66.70 64.15 3koy h VAL 709 Cb 1.45 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 3koy h VAL 709 CO 0.04 0.94 -0.41 0.00 0.02 0.00 0.00 177.57 178.16 3koy n ALA 710 N -2.39 3.34 0.08 1.67 0.00 -0.79 -2.75 120.51 119.68 3koy n ALA 710 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 3koy n ALA 710 Cb 0.93 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 3koy n ALA 710 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3koy h VAL 711 N 0.11 0.99 0.00 0.00 2.07 -1.71 -3.29 116.25 114.42 3koy h VAL 711 Ca 0.00 -2.51 -0.04 0.00 0.82 0.00 0.00 66.70 64.97 3koy h VAL 711 Cb 0.50 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 3koy h VAL 711 CO 0.00 0.57 -0.06 0.29 0.02 0.00 0.00 177.57 178.39 3koy n LYS 712 N -3.16 1.02 0.00 1.57 4.76 -1.11 -2.89 118.16 118.36 3koy n LYS 712 Ca -0.03 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 3koy n LYS 712 Cb 0.84 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 3koy n LYS 712 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3koy n GLN 713 N 1.85 4.98 0.00 1.97 1.13 -1.24 -5.03 117.38 121.04 3koy n GLN 713 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3koy n GLN 713 Cb 0.50 -0.47 0.00 0.00 0.11 0.00 0.00 30.24 30.38 3koy n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3koy n GLY 714 N 0.05 1.17 3.93 1.08 0.00 -1.14 -4.26 105.19 106.01 3koy n GLY 714 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3koy n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3koy s VAL 715 N -0.44 4.55 -0.38 1.61 -7.23 -1.26 -4.96 120.40 112.29 3koy s VAL 715 Ca 0.00 -0.16 0.23 0.00 -1.81 0.00 0.00 61.98 60.24 3koy s VAL 715 Cb 0.00 -3.71 0.18 0.00 0.56 0.00 0.00 36.38 33.41 3koy s VAL 715 CO 0.00 -0.60 1.37 0.44 -0.31 0.00 0.00 175.10 176.00 3koy h ASP 716 N 0.33 0.00 -3.20 4.85 3.32 -1.63 -3.39 116.42 116.71 3koy h ASP 716 Ca -0.47 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.60 3koy h ASP 716 Cb 1.23 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.54 3koy h ASP 716 CO 0.60 0.01 0.27 0.00 -1.72 0.00 0.00 179.24 178.40 3koy s ALA 717 N -3.26 -1.97 0.26 3.45 0.00 -1.19 -4.98 121.76 114.06 3koy s ALA 717 Ca 0.04 2.11 0.08 0.00 0.00 0.00 0.00 51.96 54.19 3koy s ALA 717 Cb 0.08 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3koy s ALA 717 CO 0.72 -0.32 0.12 0.20 0.00 0.00 0.00 175.76 176.48 3koy s GLY 718 N 0.83 1.51 -0.02 0.00 0.00 -1.26 -1.00 107.32 107.38 3koy s GLY 718 Ca -0.03 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3koy s GLY 718 CO -0.10 -1.56 0.01 -1.36 0.00 0.00 0.00 173.10 170.09 3koy s PHE 719 N -2.21 0.12 0.00 1.90 0.08 0.23 -4.67 117.98 113.43 3koy s PHE 719 Ca 0.32 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.42 3koy s PHE 719 Cb -0.07 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 3koy s PHE 719 CO 0.23 -0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 3koy n GLY 720 N 3.82 7.54 3.41 4.36 0.00 -1.25 -0.81 105.19 122.26 3koy n GLY 720 Ca -0.23 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 3koy n GLY 720 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3koy n ARG 721 N -0.00 0.42 -3.43 1.61 1.74 -1.26 -3.61 116.66 112.14 3koy n ARG 721 Ca 0.00 0.16 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 3koy n ARG 721 Cb 0.00 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3koy n ARG 721 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3koy n GLY 722 N 1.93 -1.15 3.17 -0.13 0.00 -1.26 -5.02 105.19 102.73 3koy n GLY 722 Ca 0.11 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 3koy n GLY 722 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3koy s SER 723 N -3.25 2.09 0.36 1.61 1.04 -1.24 -5.14 113.70 109.17 3koy s SER 723 Ca 0.28 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.47 3koy s SER 723 Cb -0.08 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.75 3koy s SER 723 CO 0.81 0.22 0.01 -0.54 0.98 0.00 0.00 173.24 174.72 3koy s LYS 724 N -0.44 2.02 0.34 4.02 1.02 -1.26 -4.83 119.74 120.61 3koy s LYS 724 Ca 0.07 -1.87 0.10 0.00 0.02 0.00 0.00 55.97 54.29 3koy s LYS 724 Cb -0.07 -1.84 0.86 0.00 -0.52 0.00 0.00 37.83 36.26 3koy s LYS 724 CO -0.01 0.06 1.78 0.78 -0.92 0.00 0.00 175.35 177.05 3koy h GLY 725 N 1.79 1.58 0.53 -3.33 0.00 -1.50 -1.85 103.07 100.29 3koy h GLY 725 Ca -0.43 -0.31 0.09 0.00 0.00 0.00 0.00 47.33 46.68 3koy h GLY 725 CO 0.71 -0.08 0.42 1.19 0.00 0.00 0.00 176.54 178.78 3koy h ILE 726 N 0.64 0.90 -0.34 2.60 6.09 -1.87 0.56 117.51 126.09 3koy h ILE 726 Ca 0.57 -0.25 0.06 0.00 -1.37 0.00 0.00 64.86 63.87 3koy h ILE 726 Cb 1.05 0.11 -0.05 0.00 0.47 0.00 0.00 36.82 38.40 3koy h ILE 726 CO -0.35 0.13 0.00 0.45 -3.07 0.00 0.00 178.15 175.32 3koy h HIS 727 N 0.72 -0.02 -0.18 2.19 3.86 -1.71 -0.74 115.15 119.27 3koy h HIS 727 Ca 0.37 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.52 3koy h HIS 727 Cb 0.34 0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 3koy h HIS 727 CO -0.08 -0.06 -0.21 0.28 0.86 0.00 0.00 177.93 178.72 3koy h VAL 728 N 0.10 1.34 -0.00 2.45 2.07 -1.34 -2.44 116.25 118.43 3koy h VAL 728 Ca 0.17 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 3koy h VAL 728 Cb 0.23 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3koy h VAL 728 CO -0.28 0.42 -0.28 0.00 0.02 0.00 0.00 177.57 177.45 3koy h ALA 729 N 0.62 1.53 0.62 1.67 0.00 -0.84 -0.62 119.26 122.24 3koy h ALA 729 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3koy h ALA 729 Cb 0.77 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3koy h ALA 729 CO 0.05 0.35 -0.30 1.15 0.00 0.00 0.00 179.25 180.51 3koy h THR 730 N 0.00 0.00 -0.80 0.00 2.02 -1.03 -2.80 112.91 110.30 3koy h THR 730 Ca -0.00 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.17 3koy h THR 730 Cb 0.50 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.76 3koy h THR 730 CO 0.04 0.00 -0.25 0.15 0.37 0.00 0.00 175.52 175.83 3koy h PHE 731 N -0.99 -0.58 -0.91 3.16 3.57 -1.32 0.29 116.94 120.15 3koy h PHE 731 Ca -0.08 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.63 3koy h PHE 731 Cb 0.64 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 3koy h PHE 731 CO 0.04 -0.36 0.58 -0.07 -2.23 0.00 0.00 178.31 176.27 3koy h LEU 732 N -0.03 0.70 0.02 0.59 3.38 -1.07 0.42 115.31 119.32 3koy h LEU 732 Ca 0.36 0.04 -0.36 0.00 0.09 0.00 0.00 57.88 58.02 3koy h LEU 732 Cb 0.59 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3koy h LEU 732 CO -0.83 0.35 -2.22 0.55 0.09 0.00 0.00 178.44 176.38 3koy n VAL 733 N -4.57 1.53 0.15 1.22 3.14 -0.77 -3.26 118.33 115.76 3koy n VAL 733 Ca 0.18 -0.73 -0.07 0.00 -2.96 0.00 0.00 64.34 60.76 3koy n VAL 733 Cb 0.45 -1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 32.12 3koy n VAL 733 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3koy h LYS 734 N 0.01 -0.41 0.00 1.45 1.57 -0.19 -1.40 116.57 117.60 3koy h LYS 734 Ca -0.49 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3koy h LYS 734 Cb 2.06 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.47 3koy h LYS 734 CO 0.01 -0.27 0.00 1.17 -0.57 0.00 0.00 179.45 179.79 3koy n LYS 735 N -3.42 0.05 -0.00 3.15 3.00 0.14 -1.57 118.16 119.52 3koy n LYS 735 Ca -0.05 0.27 -0.21 0.00 -0.00 0.00 0.00 58.31 58.32 3koy n LYS 735 Cb 0.18 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.58 3koy n LYS 735 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3koy h ARG 736 N 0.00 0.21 -0.26 1.64 2.43 -1.45 -3.31 114.38 113.64 3koy h ARG 736 Ca 0.00 -0.36 0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3koy h ARG 736 Cb 0.04 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3koy h ARG 736 CO 0.00 1.17 0.18 0.00 -1.51 0.00 0.00 179.97 179.81 3koy h ARG 737 N -0.43 0.10 0.00 0.20 3.08 -0.23 -2.77 114.38 114.33 3koy h ARG 737 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3koy h ARG 737 Cb 1.65 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3koy h ARG 737 CO 0.04 0.06 0.00 -1.91 -1.07 0.00 0.00 179.97 177.10 3koy n GLU 738 N -4.48 0.09 -0.06 0.04 2.13 -0.96 -0.90 120.64 116.50 3koy n GLU 738 Ca 0.03 0.56 0.08 0.00 0.66 0.00 0.00 57.16 58.49 3koy n GLU 738 Cb 0.27 -1.78 0.11 0.00 0.27 0.00 0.00 31.44 30.31 3koy n GLU 738 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3koy n MET 739 N -1.97 1.59 0.00 5.31 2.81 -1.04 -5.11 117.12 118.70 3koy n MET 739 Ca -0.00 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 3koy n MET 739 Cb 0.04 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3koy n MET 739 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02