NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4516 8.3001 120.3351 54.6263 33.9289 175.0095 2 A 4.5157 7.5352 121.9662 50.5434 18.9142 174.1503 3 E 4.9202 9.9497 119.6799 55.5833 33.9371 172.1411 4 I 4.5802 8.4641 120.7598 59.7165 39.8479 174.7807 5 Q 4.9772 8.5352 124.9520 54.4067 32.0316 176.2418 6 F 4.4307 9.2156 120.7668 58.4979 39.8196 177.3852 7 S 4.5260 7.8817 114.6339 57.9809 64.6653 170.8119 8 K 3.9199 8.9054 124.5876 56.8265 31.2318 175.5024 9 G 3.8551 9.3288 112.0223 44.9541 0.0000 173.2325 10 V 4.0090 7.2612 118.3582 60.9196 30.7376 174.4257 11 A 4.2323 8.3612 130.0419 51.6660 18.9996 176.3716 12 E 4.6929 8.2673 122.5935 55.0320 31.5015 176.1809 13 T 4.3158 8.4588 117.3607 61.9489 68.0569 174.4846 14 V 3.9219 7.7495 119.8761 64.2850 31.9684 175.8104 15 V 4.4211 7.9544 123.9637 60.3290 30.8266 173.0197 16 P 4.8147 0.0000 0.0000 61.4487 32.6666 176.0408 17 E 4.4684 8.7414 122.0023 55.6964 31.5664 174.7964 18 V 4.4940 8.2661 123.8056 61.1009 33.9424 174.8724 19 R 4.7541 8.3626 125.2870 54.4222 34.3920 174.0445 20 L 4.9345 8.4553 121.6417 53.7090 43.6981 175.8065 21 S 4.7732 8.6035 117.2977 57.5153 68.1548 173.1448 22 K 4.6974 8.3609 120.6762 54.9410 35.2176 175.9295 23 S 4.4418 8.1215 114.4485 57.6091 63.7993 175.5804 24 K 3.9518 8.5719 119.8272 59.5576 31.7047 178.1507 25 N 4.5238 8.1438 112.8454 52.9509 38.9018 175.7150 26 G 3.9202 7.9553 106.3889 45.9932 0.0000 174.2222 27 Q 3.8338 8.1365 121.3464 57.8823 28.2193 176.9901 28 S 4.4946 8.6169 110.9409 58.2054 65.3762 174.9580 29 G 4.2618 8.7341 110.0631 46.6834 0.0000 171.8846 30 M 5.1363 8.2329 116.7508 54.3798 35.2849 173.1218 31 A 4.8144 8.5209 119.1256 50.1267 23.1944 175.2375 32 K 5.1253 8.6245 119.2377 54.7001 35.4762 175.4613 33 F 5.1665 9.1093 121.1028 55.8462 43.0263 173.2562 34 Y 5.0096 8.7176 124.2047 55.8773 41.3283 174.0329 35 F 4.7769 8.4647 125.5880 55.5231 41.5789 174.1250 36 L 4.5182 8.5110 126.0442 53.6948 43.2833 176.2768 37 E 3.8365 8.5407 127.7916 56.7327 27.6153 173.5629 38 P 4.4747 0.0000 0.0000 62.7779 32.7386 178.0491 39 T 4.0736 8.3323 110.5363 64.1672 68.6910 176.0979 40 I 3.6583 7.4340 120.0640 62.4134 37.6526 176.2406 41 L 4.1232 7.2750 116.1970 56.2917 41.9529 177.3147 42 A 4.4956 8.1287 120.0749 53.4160 20.0166 177.6475 43 K 4.1195 8.0638 116.0946 55.7593 32.9443 175.8681 44 E 4.6730 7.1946 121.4120 54.5830 32.1408 176.7542 45 S 4.4259 8.3847 117.7713 58.3508 64.0702 175.7176 46 T 3.9227 8.4940 112.9820 64.7353 68.7215 175.8518 47 D 4.6260 8.0831 119.2680 54.7263 39.7655 176.2500 48 D 4.6262 7.8490 119.0206 54.6006 41.3765 176.0824 49 I 4.3468 7.3398 121.0624 60.4124 37.9147 175.6400 50 T 4.5018 8.0818 120.0696 62.7980 70.1252 173.1037 51 G 3.9125 7.1955 106.7070 46.2121 0.0000 172.5979 52 M 4.6479 8.5070 119.0905 53.3497 36.2894 174.8609 53 Y 4.2212 8.8686 120.5584 56.3653 40.1870 175.1127 54 L 4.1312 8.2226 126.2427 53.4972 43.3057 176.3546 55 I 4.4140 8.0753 126.5413 60.1400 38.4462 175.8602 56 D 5.2205 8.5074 127.9102 52.8508 42.3637 176.8765 57 D 4.4223 8.8406 118.8354 57.4415 40.2371 177.1368 58 E 4.2165 7.5671 118.9522 55.8942 30.9927 179.0468 59 G 4.4859 7.5820 110.9990 44.2984 0.0000 170.9595 60 E 5.1240 8.4561 117.3680 54.8511 33.2994 174.9722 61 I 4.5055 8.5330 121.5069 59.6253 40.5007 174.4680 62 I 4.3538 8.2210 126.9332 60.0164 38.8342 175.0828 63 T 4.4901 8.0727 123.2709 61.9181 70.9808 174.9266 64 R 4.6042 8.6031 123.2146 55.4528 31.8123 176.8474 65 E 4.4181 7.6355 119.5450 54.6965 28.3339 173.9460 66 V 4.7681 7.7583 120.6039 60.6930 34.6983 174.4619 67 K 4.7267 9.0891 126.1382 54.5756 36.1343 175.4724 68 G 3.9344 8.7559 110.5888 45.0369 0.0000 173.3914 69 K 4.4676 8.3420 123.2577 54.6451 33.5671 175.5207 70 F 4.6596 8.6333 123.8996 55.7425 40.8693 175.9800 71 I 4.3485 8.2196 124.7625 60.3661 37.8673 175.5636 72 N 4.3015 9.8482 124.0714 54.3517 36.0304 175.4280 73 G 3.7653 8.6512 102.3977 45.8498 0.0000 174.3652 74 R 4.4442 8.1098 120.8883 53.0053 30.5818 172.8589 75 P 4.6613 0.0000 0.0000 63.8826 31.9909 176.0485 76 T 4.8448 8.2514 114.9563 63.9690 76.0551 173.3034 77 A 5.0208 7.9618 121.3516 50.0783 23.2082 175.2265 78 I 4.7572 8.1623 118.7102 59.4194 41.6672 174.2696 79 E 5.7804 9.6109 125.8523 53.6938 33.1594 174.4350 80 A 5.1684 8.7622 124.7272 50.6443 23.1445 174.8754 81 T 5.2613 8.8186 116.9624 61.7612 71.9692 173.6577 82 V 4.3674 8.6589 125.8492 61.1756 34.0536 174.2349 83 I 4.3971 8.2747 128.4909 59.5359 38.1671 176.5762 84 L 4.3930 7.8253 129.2305 54.0757 39.3143 177.0455 85 N 4.4399 8.0169 118.0576 56.2928 39.2156 176.9448 86 S 4.5636 7.6996 113.0775 57.9694 64.2580 175.0599 87 Q 4.0646 8.6281 122.0645 58.6433 28.5246 176.9702 88 P 4.5004 0.0000 0.0000 65.8237 30.9541 177.6619 89 E 3.9373 7.7897 119.3075 59.0724 29.4706 178.5802 90 W 4.1694 8.7538 119.5468 59.7175 29.0537 178.0893 91 D 4.5362 8.1068 118.7339 57.6985 40.3569 179.2057 92 R 4.0400 8.0603 117.9662 59.0436 30.0793 178.7127 93 F 4.0225 8.4521 120.4989 61.6374 39.3765 177.1397 94 M 4.3156 8.9836 118.7947 58.4889 31.7324 178.7979 95 R 3.9353 8.2079 118.9140 59.2910 30.3069 178.2958 96 F 4.0968 8.7704 120.8408 61.5849 39.4139 176.8087 97 M 3.8573 8.1819 117.9723 58.3362 32.1190 177.7427 98 E 3.8652 8.5089 119.8748 59.3875 29.9497 178.8733 99 R 3.8332 8.2540 119.0929 59.4251 30.0939 177.7686 100 Y 3.7744 8.1564 119.8091 60.5941 38.4982 178.2986 101 G 3.5717 8.2322 105.5641 46.9810 0.0000 175.2021 102 A 4.0832 7.5677 121.9218 54.9770 18.4551 179.3473 103 E 3.9664 7.7619 116.0007 57.6599 29.7401 177.3321 104 N 4.9310 7.6896 116.6612 51.3709 41.5598 175.2812 105 G 3.8956 8.7677 114.1198 45.8752 0.0000 174.4873 106 L 3.7487 8.2127 115.3916 55.1729 40.2488 175.9592 107 G 3.9524 8.1619 104.5417 45.0136 0.0000 173.2396 108 F 4.4498 8.0699 117.9253 56.2247 40.1437 175.7588 109 S 4.4351 8.4736 120.8330 57.9624 63.7498 174.5577 110 K 4.4115 8.6079 123.6244 58.8158 32.1497 177.4983 111 S 4.3515 8.1862 112.9439 58.6860 63.3339 172.5059 112 E 3.9780 8.6700 123.7486 57.5169 28.7835 175.2955 113 L 3.9984 7.8386 117.1950 57.2045 41.9764 177.5141 114 E 4.4152 7.8142 118.1796 54.9054 30.3217 175.8353 115 H 4.4196 8.5496 121.8404 55.6615 29.5723 175.0459 116 H 4.6616 8.5709 118.6850 55.4616 29.6465 174.2737 117 H 4.8953 8.1293 116.2839 54.2468 32.6650 173.6525 118 H 4.2378 8.8827 119.7950 59.0443 28.8441 176.1685 119 H 4.2310 8.2252 118.6739 57.4488 30.3022 174.4974 120 H 4.3878 8.5278 122.5593 56.4614 28.7918 174.3681 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 1 M 8.30 4.45 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 2 A 7.54 4.52 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.95 4.92 0.00 2.15 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 2.26 2.34 0.00 4 I 8.46 4.58 1.99 0.00 0.00 0.90 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 1.05 0.64 0.00 0.00 5 Q 8.54 4.98 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 6 F 9.22 4.43 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.88 4.53 0.00 3.83 3.80 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 8 K 8.91 3.92 0.00 1.55 1.56 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.83 0.21 7.81 9 G 9.33 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.26 4.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 11 A 8.36 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.27 4.69 0.00 2.09 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 0.00 2.60 2.70 0.00 13 T 8.46 4.32 4.29 0.00 0.00 0.00 0.00 0.00 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 14 V 7.75 3.92 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 0.93 0.00 0.00 1.03 0.00 0.00 15 V 7.95 4.42 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 1.01 0.00 0.00 1.05 0.00 0.00 16 P 0.00 4.81 0.00 1.38 0.74 0.00 3.58 0.00 0.00 4.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.36 0.00 17 E 8.74 4.47 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 18 V 8.27 4.49 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 0.87 0.00 0.00 1.02 0.00 0.00 19 R 8.36 4.75 0.00 1.72 1.70 0.00 3.11 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 20 L 8.46 4.93 0.00 1.56 1.65 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.60 4.77 0.00 3.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.36 4.70 0.00 1.75 1.81 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 23 S 8.12 4.44 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 3.95 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 25 N 8.14 4.52 0.00 2.71 2.85 0.00 0.00 6.91 7.66 0.00 0.00 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 G 7.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.14 3.83 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 28 S 8.62 4.49 0.00 3.83 3.76 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 29 G 8.73 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.23 5.14 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 31 A 8.52 4.81 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.62 5.13 0.00 1.64 1.72 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 33 F 9.11 5.17 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 5.01 0.00 3.09 2.84 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 0.00 0.00 0.00 35 F 8.46 4.78 0.00 3.16 2.87 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 0.00 0.00 0.00 36 L 8.51 4.52 0.00 1.75 1.60 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.54 3.84 0.00 2.08 1.93 0.00 0.00 0.00 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 2.23 0.00 38 P 0.00 4.47 0.00 1.94 2.14 0.00 3.75 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 1.88 1.79 0.00 39 T 8.33 4.07 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 1.22 0.00 0.00 40 I 7.43 3.66 1.36 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 1.21 1.00 0.33 0.00 0.00 41 L 7.28 4.12 0.00 1.64 1.65 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.13 4.50 1.25 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 0.00 0.00 0.00 43 K 8.06 4.12 0.00 1.70 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.49 7.81 44 E 7.19 4.67 0.00 1.86 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 2.25 2.40 0.00 45 S 8.38 4.43 0.00 4.15 3.88 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 46 T 8.49 3.92 4.38 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 1.19 0.00 0.00 47 D 8.08 4.63 0.00 2.80 2.85 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 48 D 7.85 4.63 0.00 2.90 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 49 I 7.34 4.35 2.01 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 1.34 0.69 1.05 0.00 0.00 50 T 8.08 4.50 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 1.21 0.00 0.00 51 G 7.20 3.91 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 0.00 0.00 0.00 52 M 8.51 4.65 0.00 1.32 1.55 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.25 0.00 53 Y 8.87 4.22 0.00 2.92 2.83 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 54 L 8.22 4.13 0.00 1.30 1.00 0.45 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.08 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.90 0.00 0.00 56 D 8.51 5.22 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.42 0.00 2.71 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 58 E 7.57 4.22 0.00 1.93 1.85 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 2.28 2.37 0.00 59 G 7.58 4.49 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 0.00 0.00 0.00 60 E 8.46 5.12 0.00 1.96 1.85 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 2.16 2.28 0.00 61 I 8.53 4.51 1.70 0.00 0.00 0.78 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 1.08 0.82 0.00 0.00 62 I 8.22 4.35 1.76 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 1.31 0.81 0.64 0.00 0.00 63 T 8.07 4.49 3.99 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 0.00 0.00 1.14 0.00 0.00 64 R 8.60 4.60 0.00 1.71 1.89 0.00 3.28 0.00 0.00 3.79 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 65 E 7.64 4.42 0.00 2.06 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 2.33 2.22 0.00 66 V 7.76 4.77 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 0.91 0.00 0.00 0.84 0.00 0.00 67 K 9.09 4.73 0.00 1.89 1.67 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 68 G 8.76 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.47 0.00 1.61 1.76 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.60 7.81 70 F 8.63 4.66 0.00 3.09 2.98 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 0.00 0.00 0.00 71 I 8.22 4.35 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.95 0.00 0.00 72 N 9.85 4.30 0.00 2.87 2.90 0.00 0.00 7.25 7.68 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 73 G 8.65 3.77 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 0.00 0.00 0.00 74 R 8.11 4.44 0.00 1.87 1.95 0.00 3.19 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 75 P 0.00 4.66 0.00 2.14 2.14 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.50 0.00 76 T 8.25 4.84 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 1.22 0.00 0.00 77 A 7.96 5.02 1.02 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 0.00 0.00 78 I 8.16 4.76 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.58 0.84 0.00 0.00 79 E 9.61 5.78 0.00 2.06 1.91 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 2.58 2.33 0.00 80 A 8.76 5.17 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 81 T 8.82 5.26 4.28 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 0.00 0.00 0.00 1.28 0.00 0.00 82 V 8.66 4.37 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 0.87 0.00 0.00 0.96 0.00 0.00 83 I 8.27 4.40 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.94 0.00 0.00 84 L 7.83 4.39 0.00 1.20 0.77 -1.27 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.02 4.44 0.00 2.69 2.88 0.00 0.00 7.24 7.56 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 86 S 7.70 4.56 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.63 4.06 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 88 P 0.00 4.50 0.00 2.29 2.38 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 89 E 7.79 3.94 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 90 W 8.75 4.17 0.00 3.61 3.28 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 0.00 0.00 0.00 0.00 91 D 8.11 4.54 0.00 2.97 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 92 R 8.06 4.04 0.00 2.04 2.21 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 93 F 8.45 4.02 0.00 2.99 3.22 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 94 M 8.98 4.32 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.40 0.00 95 R 8.21 3.94 0.00 2.04 2.14 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 96 F 8.77 4.10 0.00 3.38 3.08 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 0.00 0.00 0.00 97 M 8.18 3.86 0.00 2.12 1.74 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 98 E 8.51 3.87 0.00 2.24 2.07 0.00 0.00 0.00 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 2.36 0.00 99 R 8.25 3.83 0.00 1.88 1.89 0.00 3.21 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 100 Y 8.16 3.77 0.00 1.94 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.23 3.57 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 0.00 0.00 0.00 102 A 7.57 4.08 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 0.00 103 E 7.76 3.97 0.00 1.81 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 2.34 2.38 0.00 104 N 7.69 4.93 0.00 2.09 2.67 0.00 0.00 6.17 8.24 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 0.00 105 G 8.77 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.21 3.75 0.00 1.82 1.81 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.07 4.45 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.47 4.44 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.61 4.41 0.00 1.89 1.86 0.00 1.79 0.00 0.00 1.98 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.28 7.81 111 S 8.19 4.35 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 3.98 0.00 2.12 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 2.17 2.30 0.00 113 L 7.84 4.00 0.00 1.62 1.63 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.81 4.42 0.00 2.09 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 2.29 2.38 0.00 115 H 8.55 4.42 0.00 3.18 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.57 4.66 0.00 3.22 3.24 0.00 5.49 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.13 4.90 0.00 3.15 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.88 4.24 0.00 3.17 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.23 4.23 0.00 3.08 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.53 4.39 0.00 3.21 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00