NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2168 8.4445 119.1126 54.0860 28.6978 174.8154 4 L 3.9045 8.4258 123.7771 53.3534 41.2441 173.6610 5 T 4.0570 8.8572 119.9809 60.5063 68.8550 174.1349 6 E 3.8514 8.9799 126.9218 59.9589 28.8639 178.9194 7 E 3.9951 8.2570 120.3180 58.8677 29.3853 178.2129 8 Q 3.9938 7.9142 116.0212 57.3715 29.1459 176.8706 9 I 3.9089 8.6175 120.3996 64.1463 38.1074 177.3265 10 A 4.0253 8.0274 120.9371 55.6669 17.8235 179.4763 11 E 4.0782 8.0212 116.5333 59.6471 29.6876 179.1008 12 F 4.8117 8.8685 116.8903 59.1326 38.9910 177.2830 13 K 4.4578 7.9955 118.1213 58.6757 32.7217 178.2621 14 E 4.2992 8.5843 117.2583 58.5589 29.2125 178.2540 15 A 4.6950 7.8970 120.3765 53.5880 20.1815 178.3530 16 F 3.6604 8.0841 119.1423 61.6833 39.3532 177.6883 17 S 4.0938 9.0443 114.8787 61.4724 62.5755 176.1854 18 L 4.0177 7.3743 121.4130 57.1938 41.6932 177.4752 19 F 4.4854 7.4130 114.4896 57.3027 39.5391 175.8849 20 D 4.4103 8.0352 124.3958 51.8066 39.4248 176.2522 21 K 3.7292 8.1523 124.7613 59.0851 33.1723 177.6180 22 D 4.5377 8.5590 118.3171 58.8752 38.8191 178.6179 23 G 3.8311 7.4250 100.9755 47.7185 0.0000 175.6587 24 D 4.3034 8.3211 120.2234 53.2524 39.4661 175.7224 25 G 4.0898 7.2187 108.2944 45.0582 0.0000 172.7512 26 T 5.3675 8.1910 109.8567 59.7018 72.5981 173.0166 27 I 4.8330 8.6727 114.9698 59.1089 41.2558 175.4042 28 T 4.5988 9.9280 115.6640 61.5847 69.7133 175.6059 29 T 3.8077 8.3686 117.5669 66.6842 68.3961 176.6880 30 K 3.7936 8.0525 119.6842 59.7760 32.1340 178.6586 31 E 3.8522 7.9630 118.3679 59.5591 29.4258 179.0829 32 L 3.8848 8.0169 120.3842 58.2395 41.9997 179.2963 33 G 3.5530 7.9049 105.3635 48.2082 0.0000 175.8721 34 T 3.7284 7.7033 118.4229 66.0987 68.1951 176.9821 35 V 2.8092 7.6750 119.5663 66.2873 31.6852 177.6157 36 M 4.0573 7.8829 118.5361 57.9039 31.8497 178.4798 37 R 4.7244 8.4170 119.4436 59.0720 30.2263 179.2003 38 S 4.2005 7.5285 112.4432 61.3058 62.9370 175.8123 39 L 4.3309 7.9732 120.0072 54.0507 42.7875 175.8797 40 G 3.5755 8.7468 108.6376 44.0591 0.0000 172.6592 41 Q 4.5395 7.3835 121.4089 56.7751 32.8184 173.6887 42 N 5.1179 8.4200 114.7423 50.8462 38.1230 172.2699 43 P 4.2593 0.0000 0.0000 63.6405 32.2770 177.2867 44 T 3.9392 8.1664 109.9431 61.9809 68.9459 174.9480 45 E 4.0309 8.8427 121.1760 57.9927 29.3408 177.5116 46 A 4.5617 8.4241 121.3892 52.5176 21.4458 177.9711 47 E 4.0888 9.6266 116.1713 58.0759 29.9051 178.0754 48 L 4.1576 7.8348 118.9476 57.2103 42.5240 177.5401 49 Q 4.4195 7.6777 116.0140 57.1143 29.0169 177.3921 50 D 4.3403 7.4623 119.0711 57.6245 40.6438 178.2753 51 M 4.2160 7.9332 118.6290 58.3525 31.9926 178.5741 52 I 3.7827 7.6579 118.3136 64.0608 38.1884 177.1404 53 N 4.3573 8.8014 117.2289 55.7764 38.8286 175.5541 54 E 4.2234 7.5952 117.9024 57.3338 30.8241 176.2565 55 V 4.5517 7.6477 111.1529 61.2901 32.3488 178.2243 56 D 4.6794 7.7371 120.6789 54.0439 39.0103 176.9430 57 A 4.7275 7.9867 122.1062 51.5624 20.7730 175.4744 58 D 5.1613 7.7395 119.9800 53.8692 44.0970 177.7748 59 G 3.7531 8.6872 107.4060 46.8439 0.0000 172.4611 60 N 4.4449 8.2172 119.7603 50.7982 35.2463 172.3704 61 G 3.3681 7.3327 112.1765 44.7833 0.0000 170.6391 62 T 5.4133 7.6698 109.6927 59.2139 71.9323 172.9727 63 I 4.7860 8.2237 116.6688 59.3917 41.1547 175.2482 64 D 5.1479 8.4268 124.5946 52.8161 41.7258 175.2987 65 F 3.0981 8.9036 115.5130 60.2943 39.2461 175.8716 66 P 4.5601 0.0000 0.0000 65.2883 31.3763 177.3106 67 E 4.3192 9.3017 117.3474 57.6600 30.4994 178.1655 68 F 4.3675 8.6316 121.3162 60.5849 39.3970 177.1796 69 L 4.0540 8.0139 118.4187 58.5683 42.0480 177.9690 70 T 4.1162 7.8533 115.3457 65.4466 67.0543 177.0267 71 M 3.7113 8.0443 120.3266 58.1822 33.9180 177.0631 72 M 4.5598 7.4749 120.2789 54.1662 28.2640 174.3175 73 A 4.6579 7.6099 124.2075 52.7787 25.4250 179.2588 74 R 4.3941 7.3900 113.8035 58.2806 30.5075 177.6773 75 K 4.3674 7.9425 116.4276 56.4142 33.7442 175.9109 76 M 4.5229 9.2103 116.9750 55.5827 33.7796 176.8206 77 K 4.0785 8.1445 116.5863 57.6927 31.6182 175.2620 78 D 4.6972 7.3226 113.8188 55.5925 43.8309 175.2715 79 T 3.9254 7.6926 113.6499 63.3473 67.4764 174.2117 80 D 4.8175 8.3877 126.8642 53.3629 42.9071 177.5474 81 S 4.5110 8.0093 116.8524 60.9769 62.7846 174.9314 82 E 3.9333 8.3609 122.3125 60.0637 29.4320 177.7620 83 E 3.9629 7.9220 119.2880 58.7459 29.5878 178.2958 84 E 3.9480 8.1272 117.5612 60.0340 29.7887 179.7525 85 I 4.0018 7.7378 118.7235 64.4586 37.1539 178.1662 86 R 4.3730 8.6478 119.4692 58.5526 29.6607 178.3635 87 E 4.0368 8.5084 118.2968 59.1818 29.8856 178.1367 88 A 4.3465 8.3081 120.4363 55.6274 18.4033 178.7629 89 F 3.7202 8.5542 118.3389 61.9898 39.2434 177.4825 90 R 4.0265 8.0963 116.1509 59.1815 29.9330 179.0883 91 V 3.6578 7.8607 117.8409 66.0254 31.7324 177.7359 92 F 4.0485 8.1121 115.7176 59.8854 40.2288 176.4867 93 D 4.5229 7.3115 117.2117 53.8324 36.7978 175.5752 94 K 4.0097 7.8165 123.2336 59.6104 32.9480 178.7625 95 D 4.3847 7.9542 117.1117 56.1926 39.4193 177.3325 96 G 4.2401 7.9503 108.2931 45.6333 0.0000 173.5545 97 N 4.7122 8.7292 115.6500 51.7087 37.5612 176.3387 98 G 4.1103 8.3344 105.4005 46.4901 0.0000 173.2599 99 Y 5.0494 7.7908 115.9900 56.1129 42.0714 175.4135 100 I 4.4818 9.6130 125.0950 59.7512 38.7882 175.3282 101 S 4.7213 10.3406 123.7460 57.3934 64.4876 175.5163 102 A 4.1765 8.8276 123.0442 55.2981 18.0183 179.7121 103 A 3.9479 8.0745 119.2274 55.6761 18.4845 179.5746 104 E 3.9952 8.0111 114.0846 59.0042 29.6960 178.7533 105 L 4.0702 8.3581 122.0248 58.2781 42.0666 179.0171 106 R 3.8789 7.9257 117.8345 59.9131 29.9503 177.7535 107 H 4.1119 8.1000 116.6376 59.0674 29.7887 176.2002 108 V 3.8690 7.7707 118.9971 64.7482 32.0253 177.6378 109 M 4.1981 8.2321 118.5751 57.8830 31.5206 178.1053 110 T 4.7725 7.7510 109.9485 62.7525 69.8381 176.2500 111 N 4.5736 7.7395 119.8294 55.4331 38.4337 176.3422 112 L 4.1630 7.5620 117.6510 54.9849 41.3678 177.7992 113 G 3.8542 8.0917 107.0505 45.1349 0.0000 173.3744 114 E 4.3126 7.9225 121.3260 54.2575 30.0967 175.2123 115 K 4.3326 8.6060 126.8814 55.9740 31.8423 176.2641 116 L 4.6605 8.1581 124.0130 52.9095 43.8837 176.3739 117 T 4.1460 8.2516 116.9335 61.3620 67.6587 174.9567 118 D 4.4365 8.8396 128.6268 56.6884 41.2624 177.4746 119 E 4.3485 8.4742 118.5763 59.3353 30.1993 177.5855 120 E 4.3110 7.7988 116.3185 57.4218 29.5204 179.0209 121 V 3.6798 7.5587 119.1487 65.9265 31.8104 177.1444 122 D 4.4577 8.2222 116.9506 58.2088 40.8573 178.0611 123 Q 3.9893 7.8858 118.8642 59.4787 28.9090 177.6919 124 M 3.8759 8.5503 118.2263 58.9775 31.8624 179.3422 125 I 3.6168 8.0255 119.1697 64.4962 37.6356 178.1295 126 R 3.7660 8.0830 119.8578 59.3969 29.9084 178.0810 127 E 4.0736 8.1455 117.6444 58.2818 29.6677 177.8474 128 A 4.3650 7.2916 119.3869 53.2939 19.4950 177.2269 129 D 4.6580 7.4928 117.1551 54.3569 41.7384 175.8666 130 I 4.2415 9.9857 128.2077 61.8657 38.4039 176.2185 131 D 4.7413 8.3990 117.2143 52.6629 39.4191 177.2536 132 G 4.0419 8.4532 109.4220 46.0668 0.0000 174.7524 133 D 4.3314 8.0338 116.2654 53.8564 38.9462 177.6801 134 G 4.0316 8.8048 107.6594 46.1607 0.0000 173.1320 135 Q 4.8030 7.7476 115.0387 54.3548 32.1497 174.8023 136 V 4.9878 8.7349 111.9019 58.7461 34.8796 175.0313 137 N 5.2500 8.7668 120.8944 50.9845 40.5518 174.7389 138 Y 3.4386 7.9797 119.2941 61.4701 38.3965 177.4535 139 E 3.5520 8.2669 117.7251 60.3477 29.6232 179.1834 140 E 4.0264 9.3705 118.0109 59.1515 29.8588 179.1141 141 F 4.4810 8.4641 122.7525 61.2035 38.9312 177.2142 142 V 3.2624 8.1024 118.3128 66.1608 31.1970 177.4573 143 Q 3.8816 7.7849 117.3459 58.9713 28.2947 178.4389 144 M 3.7764 7.9302 119.3047 58.7915 32.5866 177.9327 145 M 3.8484 7.8048 116.7695 57.0402 32.0250 176.9574 146 T 3.7519 5.7900 107.8839 64.6784 69.5402 174.1150 147 A 3.8236 7.4778 128.2915 51.5651 18.0657 177.2478 148 K 4.1009 8.4444 121.4839 57.4489 32.3039 176.6586 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.44 4.22 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.43 3.90 0.00 1.73 1.54 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.86 4.06 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 E 8.98 3.85 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 7 E 8.26 4.00 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 8 Q 7.91 3.99 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 9 I 8.62 3.91 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.89 0.00 0.00 10 A 8.03 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.02 4.08 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 12 F 8.87 4.81 0.00 3.18 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.00 4.46 0.00 1.97 2.00 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.75 7.81 14 E 8.58 4.30 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 15 A 7.90 4.70 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.08 3.66 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.04 4.09 0.00 4.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.37 4.02 0.00 1.86 1.95 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.41 4.49 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.04 4.41 0.00 2.35 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.15 3.73 0.00 1.68 1.80 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.51 7.81 22 D 8.56 4.54 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.42 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.32 4.30 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.22 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.19 5.37 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 27 I 8.67 4.83 1.61 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 -0.11 0.00 0.00 28 T 9.93 4.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 29 T 8.37 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 30 K 8.05 3.79 0.00 1.80 1.86 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 31 E 7.96 3.85 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 32 L 8.02 3.88 0.00 1.79 1.87 1.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.90 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.70 3.73 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 35 V 7.68 2.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.54 0.00 0.00 36 M 7.88 4.06 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 37 R 8.42 4.72 0.00 1.75 1.95 0.00 3.07 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 38 S 7.53 4.20 0.00 3.96 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 4.33 0.00 1.75 1.64 0.63 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.38 4.54 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 42 N 8.42 5.12 0.00 2.75 2.74 0.00 0.00 6.04 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.26 0.00 2.18 2.11 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 44 T 8.17 3.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 45 E 8.84 4.03 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 46 A 8.42 4.56 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.63 4.09 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 48 L 7.83 4.16 0.00 1.76 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.68 4.42 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 50 D 7.46 4.34 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.93 4.22 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 52 I 7.66 3.78 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 1.06 0.00 0.00 53 N 8.80 4.36 0.00 2.73 2.88 0.00 0.00 7.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.60 4.22 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 55 V 7.65 4.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 56 D 7.74 4.68 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.99 4.73 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.74 5.16 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.22 4.44 0.00 2.84 2.89 0.00 0.00 6.96 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.33 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.67 5.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 I 8.22 4.79 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.98 0.00 0.00 64 D 8.43 5.15 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.90 3.10 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.56 0.00 2.17 2.17 0.00 4.19 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 67 E 9.30 4.32 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.70 0.00 68 F 8.63 4.37 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.01 4.05 0.00 1.69 1.69 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.85 4.12 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 71 M 8.04 3.71 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 72 M 7.47 4.56 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 73 A 7.61 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.39 4.39 0.00 1.78 2.01 0.00 3.30 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 75 K 7.94 4.37 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 M 9.21 4.52 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 77 K 8.14 4.08 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.48 7.81 78 D 7.32 4.70 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.69 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 D 8.39 4.82 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.01 4.51 0.00 4.14 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.36 3.93 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 83 E 7.92 3.96 0.00 2.31 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 84 E 8.13 3.95 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 85 I 7.74 4.00 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.87 0.00 0.00 86 R 8.65 4.37 0.00 1.67 2.13 0.00 2.94 0.00 0.00 2.93 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 87 E 8.51 4.04 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 88 A 8.31 4.35 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.55 3.72 0.00 3.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.10 4.03 0.00 2.04 2.07 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 91 V 7.86 3.66 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.90 0.00 0.00 92 F 8.11 4.05 0.00 2.61 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.31 4.52 0.00 1.93 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.82 4.01 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.39 7.81 95 D 7.95 4.38 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.73 4.71 0.00 3.07 3.17 0.00 0.00 6.92 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.79 5.05 0.00 2.80 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.61 4.48 1.81 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.08 0.75 0.00 0.00 101 S 10.34 4.72 0.00 3.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.83 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.07 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.01 4.00 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 105 L 8.36 4.07 0.00 1.75 1.94 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.93 3.88 0.00 2.24 1.94 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 107 H 8.10 4.11 0.00 3.13 3.49 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.77 3.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.64 0.00 0.00 109 M 8.23 4.20 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.02 0.00 110 T 7.75 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 111 N 7.74 4.57 0.00 2.64 2.83 0.00 0.00 6.85 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.56 4.16 0.00 1.64 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.92 4.31 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 115 K 8.61 4.33 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.16 4.66 0.00 1.64 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.25 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 118 D 8.84 4.44 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.47 4.35 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 120 E 7.80 4.31 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 121 V 7.56 3.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.96 0.00 0.00 122 D 8.22 4.46 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.89 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 124 M 8.55 3.88 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 125 I 8.03 3.62 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.95 0.00 0.00 126 R 8.08 3.77 0.00 2.26 1.95 0.00 3.10 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 127 E 8.15 4.07 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 128 A 7.29 4.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.49 4.66 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 9.99 4.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.91 0.00 0.00 131 D 8.40 4.74 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.03 4.33 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.75 4.80 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 136 V 8.73 4.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 137 N 8.77 5.25 0.00 2.52 2.76 0.00 0.00 5.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 7.98 3.44 0.00 2.02 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.27 3.55 0.00 2.33 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 140 E 9.37 4.03 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 141 F 8.46 4.48 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.10 3.26 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.20 0.00 0.00 143 Q 7.78 3.88 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.40 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 144 M 7.93 3.78 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 145 M 7.80 3.85 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 146 T 5.79 3.75 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 147 A 7.48 3.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.44 4.10 0.00 1.81 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81