NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8415 8.2033 118.3491 59.7411 30.4538 171.9983 2 L 4.8852 8.8840 121.4337 52.4513 44.2413 174.8236 3 A 4.8383 9.0752 124.6739 51.4491 20.3524 176.3135 4 E 4.4065 8.7000 121.4645 58.1068 29.7397 177.1799 5 G 4.0753 9.8956 115.1246 45.4895 0.0000 174.1121 6 T 4.1809 7.9957 117.5717 64.0816 69.5282 173.6718 7 R 4.9718 9.7462 126.2429 55.2544 32.2605 175.5006 8 I 5.0317 9.1827 124.2084 59.4615 40.1632 174.2980 9 F 4.7747 8.5036 127.1995 57.5756 40.9948 173.7805 10 D 5.1207 8.4579 126.7667 51.2082 41.3420 175.2190 11 P 4.2242 0.0000 0.0000 65.0705 31.8801 178.3048 12 V 3.6551 8.0459 119.3059 65.7968 31.4638 177.0385 13 T 4.0772 7.9937 107.2120 61.6768 69.4011 175.7491 14 G 3.8636 8.3440 109.7619 45.7138 0.0000 173.0195 15 T 4.4626 7.4362 116.3777 62.6288 70.3418 173.8210 16 T 5.0790 8.4361 122.0422 62.4812 70.1749 173.7422 17 H 5.0402 9.2161 123.3449 53.9997 32.7454 173.2811 18 R 4.6828 8.2976 119.3493 55.1948 31.3587 177.5012 19 I 3.5781 8.8011 124.4353 64.2361 37.9164 178.0465 20 E 2.5400 7.6650 117.7546 58.9066 29.3355 178.7280 21 D 4.2912 7.9143 119.9272 56.8604 40.8373 178.8466 22 V 3.5748 7.4608 118.5335 65.7763 31.6253 178.2024 23 V 3.7331 7.7807 117.9053 66.2997 31.3422 177.8410 24 D 4.3449 8.0773 117.2109 56.7903 40.7528 177.6149 25 G 3.7548 7.9227 105.2238 44.3523 0.0000 173.4893 26 R 2.0000 7.0921 117.6288 56.0503 28.1365 176.9995 27 K 4.0713 7.7000 116.8931 55.7814 33.1156 176.9579 28 P 4.8484 0.0000 0.0000 62.4845 31.0366 175.6037 29 I 4.2626 7.4681 112.5153 61.9466 40.2561 175.4533 30 H 5.2779 9.3886 119.5081 54.3662 32.0279 173.9741 31 V 5.0805 8.5417 112.3491 58.6921 36.9514 174.6518 32 V 4.5032 8.3950 121.4402 62.2651 32.5788 174.5829 33 A 5.3037 9.9519 130.2992 50.1931 22.2230 174.6050 34 A 5.1597 8.8885 121.6162 50.2199 21.0274 177.3275 35 A 4.4542 9.1697 125.9294 51.0870 20.2904 178.3055 36 K 4.1919 8.6001 117.0537 59.6963 32.1868 178.2632 37 D 4.6171 8.1176 115.2773 53.5578 39.4336 176.0566 38 G 4.1646 7.9011 109.5513 45.7791 0.0000 174.7191 39 T 4.0151 8.4241 110.0277 62.1430 69.7549 173.4170 40 L 5.1416 8.2355 123.0069 54.0247 43.3619 175.4617 41 H 5.0390 9.5390 118.3960 54.2846 33.9200 172.1833 42 A 4.8208 8.5659 122.4309 51.6124 19.5810 177.1725 43 R 4.8367 8.9344 120.6078 53.7997 35.1538 173.0145 44 P 4.7100 0.0000 0.0000 62.1544 33.4394 175.1269 45 V 4.1330 8.0050 121.6959 62.3725 32.0118 176.1629 46 V 4.0686 7.9414 118.9897 61.0140 33.2229 175.5353 47 S 4.1223 6.6202 114.5899 56.3707 65.9027 172.4622 48 W 5.0075 8.4885 125.0439 54.7634 32.1274 174.7198 49 F 4.9761 9.2357 122.6878 55.7695 41.9708 173.5897 50 D 5.0127 9.0683 124.1463 53.2614 41.2489 175.8025 51 Q 4.1368 8.8052 125.4003 56.0107 29.6796 177.4121 52 G 3.6902 8.1678 108.6044 44.5770 0.0000 171.7991 53 T 4.8400 8.0416 114.9831 63.0336 69.3775 174.8730 54 R 4.7247 8.7053 123.8408 54.7034 35.6377 173.7077 55 D 4.9749 8.6228 119.9443 54.4874 42.2408 176.2669 56 V 4.9243 8.8617 116.0948 59.6061 35.7492 175.1138 57 I 4.8421 9.0819 118.4691 59.5690 40.7328 174.3621 58 G 2.9373 7.9215 108.7662 43.8376 0.0000 172.3591 59 L 4.7801 8.3423 125.0501 52.6027 43.6971 175.4347 60 R 4.4100 8.7335 126.4061 55.9519 31.0836 175.4454 61 I 4.8236 8.8411 127.4662 59.2214 39.9252 175.1016 62 A 4.0489 8.3941 127.0094 53.6802 17.9725 177.1840 63 G 3.9625 9.6066 111.4095 45.5196 0.0000 174.5852 64 G 3.9569 8.2872 106.5152 45.3110 0.0000 174.1660 65 A 4.2904 7.9428 121.5221 52.1771 19.9277 176.2808 66 I 4.8106 8.0140 118.8315 59.4169 41.2950 173.7489 67 L 4.6405 8.4577 131.6209 53.2321 44.2669 174.7976 68 W 5.3504 8.8655 125.6861 55.1693 31.3918 174.6327 69 A 5.3103 8.9061 126.0487 50.1463 23.0643 175.1728 70 T 4.7274 9.0715 109.6223 60.4970 69.8022 174.2135 71 P 4.3637 0.0000 0.0000 65.2561 31.4505 177.1923 72 D 4.6820 7.9317 116.4451 53.3319 40.2145 175.7068 73 H 4.3730 8.1176 122.1128 56.3099 31.1857 174.3125 74 K 4.9596 8.4857 124.8484 56.0888 33.7466 175.8718 75 V 4.9221 9.0313 124.0001 60.8830 35.2009 174.0595 76 L 3.5237 8.2901 129.7651 54.5583 43.0618 175.7259 77 T 5.1940 8.2234 116.2539 59.3034 72.1389 174.6476 78 E 3.4583 8.6396 118.9536 58.5265 29.3290 177.3755 79 Y 4.7076 7.6732 116.3410 57.6019 38.6765 176.1885 80 G 3.7949 7.9260 108.5184 43.6960 0.0000 172.6317 81 W 4.7586 8.4211 118.5384 56.8916 29.6954 176.4479 82 R 4.9044 9.2219 122.0780 54.3018 34.7749 174.4372 83 A 4.5144 8.7811 123.9823 52.0066 19.3443 178.3447 84 A 3.9313 9.4796 126.1112 55.4127 18.5944 180.1874 85 G 3.7854 8.4646 103.5600 47.7349 0.0000 174.0853 86 E 4.3805 8.0877 118.3421 56.8419 30.2941 176.6961 87 L 4.4445 7.5330 119.0224 54.5864 42.4718 176.2815 88 R 4.7102 9.1804 120.3863 53.5245 34.1935 174.7030 89 K 4.1005 8.5184 119.9348 58.6370 32.3722 175.2367 90 G 4.1781 8.8767 113.5482 45.7557 0.0000 174.0833 91 D 4.5781 8.2132 119.3352 54.4253 42.2390 175.8631 92 R 5.0541 8.6826 121.0307 54.8325 32.4695 175.9066 93 V 4.8572 8.6947 116.6104 59.2255 35.2700 174.8325 94 A 3.5443 8.4982 125.6391 51.6289 19.3204 177.1550 95 V 4.7053 8.4831 115.9117 59.4198 36.0363 174.6757 96 R 4.6395 8.7169 125.6613 54.8152 31.1252 175.4987 97 D 4.4553 9.2355 127.7405 54.2629 41.5446 177.6605 98 V 3.4038 8.5140 125.8100 64.0216 31.9470 176.9198 99 E 4.1302 8.3737 120.7269 58.1044 29.8667 176.6777 100 T 4.2585 8.4065 106.0358 60.7006 69.8748 175.5181 101 G 3.8880 8.3190 110.4160 45.5917 0.0000 173.5784 102 E 4.0495 7.5890 119.7462 55.9572 30.8709 175.7176 *404 L 4.5435 8.3085 124.3127 55.1658 43.3480 175.6966 405 R 4.8479 8.7019 121.4688 55.0139 33.8784 172.9371 406 Y 4.9936 8.5678 115.4432 56.3163 40.8135 175.6960 407 S 4.8746 8.7437 119.3204 56.5585 66.9192 174.1418 408 V 4.3469 8.2044 115.7170 61.2490 33.2030 175.3213 409 I 4.1781 8.5809 125.3507 61.3640 37.5343 176.9801 410 R 4.0386 9.2547 128.5089 58.8936 30.7981 176.0904 411 E 4.6988 7.8309 116.9734 54.9765 33.2911 173.9578 412 V 4.5830 8.2790 125.3507 61.2803 32.5957 175.0843 413 L 4.5852 8.7666 128.4921 53.1106 43.5236 174.8602 414 P 4.6229 0.0000 0.0000 62.4437 32.2343 176.3960 415 T 5.1915 8.6931 111.5373 61.8923 69.7639 173.6888 416 R 4.7482 8.3003 117.6461 54.8447 33.1747 174.0044 417 R 4.7614 8.4803 119.5330 56.1973 31.2010 175.6235 418 A 4.4427 8.1780 122.0853 50.9605 23.5071 175.9185 419 R 4.4801 8.4240 118.9416 56.5464 31.4763 176.0214 420 T 5.1789 8.6195 112.4060 60.0653 72.6082 172.6029 421 F 5.5931 9.6056 120.8294 56.3446 44.2527 172.8872 422 D 5.2364 9.3517 118.1287 53.1998 44.8849 173.8676 423 L 5.2746 8.5937 121.7682 53.0463 46.2706 175.4464 424 E 4.7209 8.6958 122.7933 54.7874 31.6949 174.6662 425 V 4.4276 9.0001 128.6402 60.9486 33.2794 174.6726 426 E 3.8445 8.5106 129.2633 58.2751 29.4272 175.6722 427 E 4.0192 8.9617 132.5194 57.4185 29.1922 175.2098 428 L 4.2017 7.6772 115.0988 55.1243 42.7394 176.2705 429 H 4.2778 7.7308 115.6089 56.2193 26.8287 173.5500 430 T 5.2168 7.3487 105.8001 60.9123 72.3045 172.7266 431 L 5.2374 8.7935 120.9091 56.1943 43.6625 173.6940 432 V 4.7170 8.3711 119.2554 61.3762 33.3034 174.2657 433 A 5.0433 9.1583 131.5446 51.4765 20.8588 175.5865 434 E 3.9175 10.2852 123.3270 57.3818 27.9561 176.3881 435 G 3.9079 8.3449 106.2668 45.2694 0.0000 173.6327 436 V 4.5818 7.8025 120.8631 61.2379 33.7664 175.0228 437 V 4.4024 8.5167 128.3042 62.9505 32.4699 175.2689 438 V 5.4163 8.9929 120.5495 59.7224 36.4537 174.4066 439 H 4.6792 9.1812 122.1789 55.6813 30.6301 174.8377 440 N 4.6826 8.0990 120.3657 53.2350 36.8916 174.7626 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 C 8.20 4.84 0.00 2.95 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.89 0.00 1.72 1.65 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.08 4.84 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.70 4.41 0.00 2.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 5 G 9.90 4.08 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 0.00 0.00 0.00 6 T 8.00 4.18 4.34 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 1.29 0.00 0.00 7 R 9.75 4.97 0.00 1.87 1.89 0.00 3.10 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 8 I 9.18 5.03 1.93 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 1.18 0.91 0.97 0.00 0.00 9 F 8.50 4.77 0.00 3.13 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 10 D 8.46 5.12 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.23 2.26 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 12 V 8.05 3.66 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 0.70 0.00 0.00 0.67 0.00 0.00 13 T 7.99 4.08 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 14 G 8.34 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 15 T 7.44 4.46 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 1.00 0.00 0.00 16 T 8.44 5.08 4.31 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 1.28 0.00 0.00 17 H 9.22 5.04 0.00 3.03 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.30 4.68 0.00 1.91 2.13 0.00 3.30 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 19 I 8.80 3.58 1.87 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.82 0.00 0.00 20 E 7.66 2.54 0.00 1.97 1.73 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 2.25 2.32 0.00 21 D 7.91 4.29 0.00 2.86 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 22 V 7.46 3.57 2.24 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 1.21 0.00 0.00 0.98 0.00 0.00 23 V 7.78 3.73 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 1.27 0.00 0.00 1.21 0.00 0.00 24 D 8.08 4.34 0.00 2.76 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 25 G 7.92 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 26 R 7.09 2.00 0.00 1.30 0.66 0.00 2.89 0.00 0.00 2.80 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.22 0.00 27 K 7.70 4.07 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.28 7.81 28 P 0.00 4.85 0.00 2.24 2.24 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 29 I 7.47 4.26 1.94 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 1.36 0.74 0.69 0.00 0.00 30 H 9.39 5.28 0.00 3.29 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.54 5.08 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 0.81 0.00 0.00 0.93 0.00 0.00 32 V 8.40 4.50 2.19 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 1.02 0.00 0.00 1.14 0.00 0.00 33 A 9.95 5.30 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 5.16 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 35 A 9.17 4.45 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.19 0.00 1.83 1.97 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.49 7.81 37 D 8.12 4.62 0.00 2.80 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 38 G 7.90 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.02 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 L 8.24 5.14 0.00 1.51 1.62 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.54 5.04 0.00 3.00 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.57 4.82 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 43 R 8.93 4.84 0.00 1.67 1.72 0.00 3.40 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 P 0.00 4.71 0.00 1.97 1.96 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 45 V 8.00 4.13 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 0.08 0.00 0.00 0.82 0.00 0.00 46 V 7.94 4.07 1.94 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 0.58 0.00 0.00 0.87 0.00 0.00 47 S 6.62 4.12 0.00 3.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.49 5.01 0.00 3.12 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 49 F 9.24 4.98 0.00 3.22 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 50 D 9.07 5.01 0.00 2.85 2.68 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 51 Q 8.81 4.14 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.27 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 52 G 8.17 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.04 4.84 4.21 0.00 0.00 0.00 0.00 0.00 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 54 R 8.71 4.72 0.00 1.72 1.78 0.00 3.10 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 55 D 8.62 4.97 0.00 2.63 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 56 V 8.86 4.92 2.49 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 0.84 0.00 0.00 1.10 0.00 0.00 57 I 9.08 4.84 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.98 0.00 0.00 58 G 7.92 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 0.00 0.00 0.00 59 L 8.34 4.78 0.00 1.41 1.51 0.90 0.56 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 60 R 8.73 4.41 0.00 1.81 1.87 0.00 3.10 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 61 I 8.84 4.82 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.90 0.00 0.00 62 A 8.39 4.05 1.23 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 0.00 0.00 0.00 63 G 9.61 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.29 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.94 4.29 1.23 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 0.00 0.00 0.00 66 I 8.01 4.81 1.80 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.50 1.04 0.00 0.00 67 L 8.46 4.64 0.00 1.78 1.41 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.87 5.35 0.00 3.36 3.13 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 69 A 8.91 5.31 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 70 T 9.07 4.73 4.36 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 1.28 0.00 0.00 71 P 0.00 4.36 0.00 2.27 2.40 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 72 D 7.93 4.68 0.00 2.81 2.82 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 73 H 8.12 4.37 0.00 3.46 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.49 4.96 0.00 1.76 2.01 0.00 1.40 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.57 1.38 7.81 75 V 9.03 4.92 2.13 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 0.95 0.00 0.00 1.03 0.00 0.00 76 L 8.29 3.52 0.00 0.27 1.03 0.20 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.22 5.19 4.33 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 1.23 0.00 0.00 78 E 8.64 3.46 0.00 1.37 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.47 0.00 79 Y 7.67 4.71 0.00 3.03 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 80 G 7.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.42 4.76 0.00 3.25 3.23 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 0.00 82 R 9.22 4.90 0.00 1.79 1.82 0.00 3.25 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 83 A 8.78 4.51 1.30 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 0.00 0.00 0.00 84 A 9.48 3.93 1.39 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 0.00 0.00 0.00 85 G 8.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.38 0.00 1.99 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 2.31 2.30 0.00 87 L 7.53 4.44 0.00 1.78 1.61 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.18 4.71 0.00 1.75 1.77 0.00 3.32 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 89 K 8.52 4.10 0.00 1.70 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.72 7.81 90 G 8.88 4.18 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 0.00 0.00 0.00 91 D 8.21 4.58 0.00 2.74 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 92 R 8.68 5.05 0.00 1.71 1.88 0.00 3.07 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 93 V 8.69 4.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.86 0.00 0.00 94 A 8.50 3.54 0.75 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 95 V 8.48 4.71 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 0.63 0.00 0.00 0.87 0.00 0.00 96 R 8.72 4.64 0.00 1.73 1.78 0.00 3.31 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 97 D 9.24 4.46 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 3.40 1.95 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 0.66 0.00 0.00 0.72 0.00 0.00 99 E 8.37 4.13 0.00 1.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 100 T 8.41 4.26 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 1.18 0.00 0.00 101 G 8.32 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.59 4.05 0.00 1.87 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 2.31 2.23 0.00 *404 L 8.31 4.54 0.00 1.63 1.59 0.88 0.50 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 0.00 405 R 8.70 4.85 0.00 1.85 1.96 0.00 2.73 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 406 Y 8.57 4.99 0.00 2.75 2.82 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 0.00 407 S 8.74 4.87 0.00 3.70 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 0.00 408 V 8.20 4.35 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 0.73 0.00 0.00 0.92 0.00 0.00 409 I 8.58 4.18 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.90 0.00 0.00 410 R 9.25 4.04 0.00 1.75 1.99 0.00 3.28 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 411 E 7.83 4.70 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 412 V 8.28 4.58 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 413 L 8.77 4.59 0.00 1.28 1.67 1.04 0.82 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 0.00 414 P 0.00 4.62 0.00 2.02 2.05 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 415 T 8.69 5.19 4.31 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 1.28 0.00 0.00 416 R 8.30 4.75 0.00 1.70 1.91 0.00 2.41 0.00 0.00 2.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 417 R 8.48 4.76 0.00 1.68 1.87 0.00 3.39 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 418 A 8.18 4.44 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 419 R 8.42 4.48 0.00 1.90 1.65 0.00 3.04 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 420 T 8.62 5.18 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 1.28 0.00 0.00 421 F 9.61 5.59 0.00 3.05 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 0.00 422 D 9.35 5.24 0.00 2.98 2.66 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 0.00 0.00 0.00 0.00 423 L 8.59 5.27 0.00 1.53 1.40 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 424 E 8.70 4.72 0.00 2.26 1.73 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 2.23 2.32 0.00 425 V 9.00 4.43 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 426 E 8.51 3.84 0.00 1.93 1.80 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 2.28 2.23 0.00 427 E 8.96 4.02 0.00 2.09 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 2.15 2.29 0.00 428 L 7.68 4.20 0.00 1.66 1.88 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 429 H 7.73 4.28 0.00 3.19 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.35 5.22 4.55 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 1.16 0.00 0.00 431 L 8.79 5.24 0.00 1.76 1.80 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 432 V 8.37 4.72 2.18 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 0.97 0.00 0.00 1.03 0.00 0.00 433 A 9.16 5.04 1.28 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 0.00 0.00 434 E 10.29 3.92 0.00 2.08 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 2.32 2.63 0.00 435 G 8.34 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 0.00 436 V 7.80 4.58 2.19 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 0.77 0.00 0.00 0.93 0.00 0.00 437 V 8.52 4.40 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 0.93 0.00 0.00 0.89 0.00 0.00 438 V 8.99 5.42 2.47 0.00 0.00 0.00 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 1.15 0.00 0.00 439 H 9.18 4.68 0.00 2.90 3.03 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 N 8.10 4.68 0.00 2.97 2.76 0.00 0.00 6.78 7.13 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 * Residues marked with a * may have inaccurate shift predictions.