NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 F 4.6076 8.3131 119.0085 56.5459 39.8947 175.3235 5 G 3.7084 8.2291 110.4848 46.3459 0.0000 172.4547 6 G 4.2721 8.2789 108.2461 44.6474 0.0000 171.3252 7 Y 4.6410 8.6832 116.9226 58.1407 38.7927 176.3418 8 S 4.5311 8.8805 116.3756 56.6720 66.3772 173.6189 9 E 4.1695 9.0383 126.0103 55.7254 30.1516 178.5776 10 R 4.4798 7.9638 122.1244 56.4298 29.3311 177.4453 *13 H 4.5765 8.9485 121.5860 56.8184 29.6821 175.4408 14 Q 3.8472 7.2100 118.0673 58.7289 28.5532 180.1696 15 A 4.4757 7.2852 121.1817 50.5558 17.1909 177.1056 16 N 4.5866 9.4373 117.3304 52.4564 42.7071 173.3523 17 P 4.1265 0.0000 0.0000 65.0667 31.3606 177.8613 18 E 3.7436 9.0631 120.4326 59.4635 29.7494 178.6258 19 F 4.3401 7.5417 116.7896 60.6451 39.1261 176.8402 20 L 3.9638 7.6431 119.5517 58.5616 41.7542 178.6177 21 N 4.5175 9.0764 116.7188 56.1529 38.6419 176.6588 22 L 4.2648 7.8758 120.6294 56.8672 42.2675 178.4356 23 A 4.0975 8.5983 121.5356 55.2372 18.3299 179.3117 24 H 4.1404 8.1431 114.2944 59.1065 28.9259 176.8607 25 Y 4.0774 7.8878 121.1066 60.8713 38.4904 178.1430 26 A 3.9161 8.1132 121.0491 55.5413 18.5507 179.7560 27 T 3.9476 8.1415 114.4293 66.7783 68.6431 177.1504 28 S 4.2490 8.1939 116.1568 61.8007 62.8062 176.4141 29 T 3.7603 7.4564 118.4482 65.9377 68.5798 176.1131 30 W 4.2429 8.4862 130.4032 60.5942 30.5883 178.3472 31 S 3.8311 8.5161 113.6580 60.7174 62.0311 175.2043 32 A 4.3602 7.5675 122.4700 52.3387 18.1567 177.4644 33 Q 4.3169 7.3883 115.0338 55.9768 30.9760 175.8369 34 Q 4.0386 7.0345 116.1143 54.2649 29.3608 173.8791 35 P 4.3682 0.0000 0.0000 62.8966 32.4545 176.7429 36 G 3.8777 8.4756 105.5204 45.9902 0.0000 173.1590 37 K 4.2447 7.4993 120.7827 55.3705 32.7185 176.4006 38 T 4.3949 8.4890 115.2464 61.7351 70.8871 173.6456 39 H 4.8498 7.7691 116.7391 53.3075 32.1927 173.2325 40 F 4.3906 8.4852 119.8458 57.6102 39.5277 175.2289 41 D 4.8979 8.7368 123.9036 53.6884 42.1308 175.6247 42 T 4.6718 7.9451 114.3414 60.5321 70.7710 172.5640 43 V 3.9861 8.3805 121.8121 61.9059 31.9028 175.3179 44 A 4.3979 8.3649 130.0036 53.4644 19.8768 176.6804 45 E 4.6579 7.4469 111.8692 55.7611 32.0711 175.7386 46 V 3.9741 8.4426 125.8794 61.8352 31.4673 175.9110 47 V 3.7738 8.3439 127.5249 64.9502 31.8188 175.8909 48 K 4.4020 7.4585 118.0466 54.4894 35.2790 174.8941 49 V 4.4946 7.7951 123.5091 61.1796 34.9766 173.9297 50 E 5.1180 8.6986 125.1681 55.1184 33.4920 174.6643 51 T 4.8306 8.3633 112.9644 60.4434 72.3599 173.4893 52 Q 4.3268 8.0175 122.7364 55.1554 31.4605 174.0373 53 V 3.6515 8.4196 127.3471 62.6878 32.1965 175.6984 54 V 4.2239 8.2331 126.2282 60.7724 32.1158 173.8770 55 A 4.9093 8.9825 128.4864 49.1923 22.3855 176.5097 56 G 3.8248 7.7353 105.8423 46.4535 0.0000 171.1071 57 T 4.5305 6.9879 114.3748 60.6461 71.0205 173.9182 58 N 5.1880 8.7531 126.2883 52.7022 40.1152 174.0981 59 Y 4.4693 9.1029 122.3811 56.3446 39.8208 174.8491 60 R 4.7737 8.5854 126.0015 55.3421 31.2822 175.3221 61 L 4.7585 9.4729 128.0251 53.2690 44.5503 175.5710 62 T 4.8556 8.5120 120.9177 62.2749 69.7568 174.1209 63 L 4.8804 9.2722 125.6353 52.8955 46.8371 175.6575 64 K 4.8384 8.6313 119.5356 55.1457 33.4807 176.0179 65 V 4.6032 8.9611 125.8057 61.2851 34.1711 174.3219 66 A 4.9499 8.3281 126.0955 50.1592 22.4306 175.5555 67 E 4.0501 9.0088 121.2335 57.1570 30.7984 176.8599 68 S 5.1157 8.5340 121.2061 57.2837 65.1939 173.7204 69 T 4.2224 8.2563 108.8946 63.7027 69.1389 175.0838 70 C 4.5597 7.8301 119.9146 56.5034 37.3405 172.7653 71 E 4.6896 8.3485 121.7275 54.7682 30.6218 177.4889 72 L 4.3023 8.6127 122.4001 58.0177 41.8046 178.9320 73 T 3.9891 7.9581 107.4607 63.2273 68.9396 174.1151 74 S 4.6985 8.0126 116.7969 56.3933 65.2496 173.6816 75 T 4.1297 8.1833 117.8715 62.8725 68.3532 174.3756 76 Y 4.0241 8.6657 128.6901 57.4498 39.4067 174.3852 77 N 4.8832 7.9404 125.0385 51.1295 41.5775 174.8465 78 K 3.5551 8.7232 125.1912 59.9120 32.8833 178.0402 79 D 4.4491 8.2652 119.1455 56.3207 40.8405 177.0759 80 T 4.3652 7.7487 106.8226 62.0938 70.7737 175.6167 81 C 4.5179 8.2176 122.1533 55.6954 32.2948 173.4078 82 L 4.6062 7.5687 122.3673 52.7975 43.9406 174.7217 83 P 4.8006 0.0000 0.0000 62.3851 31.6357 176.2347 84 K 3.9414 8.8377 125.9274 56.1411 32.5924 177.1827 85 A 4.0861 8.8486 129.4814 55.6121 18.5930 178.4651 86 D 4.3948 8.3264 114.2725 57.3451 41.2248 176.8011 87 A 3.8729 7.2745 118.7282 51.9818 18.8496 176.6963 88 A 4.3981 8.4020 123.6674 51.8350 19.6372 176.7640 89 H 4.9110 8.7874 119.4146 55.3925 30.1294 174.9972 90 R 4.7008 9.2112 121.9257 54.6429 33.6067 175.2366 91 T 4.8654 8.4910 119.9823 63.2038 69.5636 174.4488 92 C 5.5798 9.1581 124.0143 55.4512 45.5343 173.4000 93 T 5.1068 8.7429 116.4290 62.4946 72.3773 173.0351 94 T 4.7164 8.3013 117.4382 61.2359 71.7977 172.0935 95 V 5.0075 9.0198 124.8130 60.9850 34.9583 174.2233 96 V 4.9838 9.0001 127.8335 61.2190 34.0465 173.7635 97 F 5.0918 8.9443 130.9115 57.2079 41.1659 174.1859 98 E 4.8502 8.1855 125.7644 52.8337 31.7693 174.7959 99 N 4.4700 7.7633 123.7856 50.9762 38.7519 176.2570 100 L 3.9085 8.5965 118.4825 58.2596 41.6741 178.9921 101 Q 3.9664 8.1929 115.5430 58.2201 28.5954 178.2250 102 G 4.0388 8.3153 103.8002 44.7991 0.0000 173.4307 103 D 4.5469 8.0706 120.8612 54.3486 41.6763 175.7908 104 K 5.5955 8.9220 121.7907 53.9475 36.0013 175.7277 105 S 4.5646 8.4273 115.5882 57.0171 66.2725 172.9302 106 V 4.4224 8.5453 125.6501 60.9661 31.6366 175.4319 107 S 4.4831 9.0533 124.2568 57.4673 63.6437 172.7845 108 P 4.3208 0.0000 0.0000 63.3013 31.2046 176.0210 109 F 4.4816 9.1515 121.8125 57.9972 39.7662 174.2688 110 E 4.7883 9.0312 122.7587 54.7643 31.9900 174.3772 111 C 5.5140 8.6755 121.1894 54.6887 43.7329 174.0224 112 E 4.0871 8.8251 123.0709 56.5504 29.5458 177.5358 113 A 4.0781 8.6189 126.0125 54.5959 19.0169 177.1907 114 A 4.1784 8.0322 122.5344 52.7050 18.3808 177.1125 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 *4 F 8.31 4.61 0.00 2.32 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 0.00 0.00 0.00 5 G 8.23 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.28 4.27 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 0.00 7 Y 8.68 4.64 0.00 2.83 2.92 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 8 S 8.88 4.53 0.00 3.76 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 9 E 9.04 4.17 0.00 1.96 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 0.00 2.25 2.31 0.00 10 R 7.96 4.48 0.00 1.53 0.86 0.00 3.39 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 0.00 *13 H 8.95 4.58 0.00 2.70 3.20 0.00 5.50 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 14 Q 7.21 3.85 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.31 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 15 A 7.29 4.48 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 16 N 9.44 4.59 0.00 2.93 3.26 0.00 0.00 7.03 7.59 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 17 P 0.00 4.13 0.00 2.30 2.31 0.00 3.78 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 2.05 2.01 0.00 18 E 9.06 3.74 0.00 1.56 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 1.62 1.66 0.00 19 F 7.54 4.34 0.00 3.19 3.11 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 20 L 7.64 3.96 0.00 1.82 1.88 0.94 0.72 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 21 N 9.08 4.52 0.00 2.94 2.90 0.00 0.00 6.77 7.37 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 22 L 7.88 4.26 0.00 1.99 1.90 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.60 4.10 1.38 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 0.00 0.00 24 H 8.14 4.14 0.00 3.40 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.89 4.08 0.00 3.06 3.21 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 26 A 8.11 3.92 1.48 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 0.00 0.00 27 T 8.14 3.95 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 1.39 0.00 0.00 28 S 8.19 4.25 0.00 3.76 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 0.00 29 T 7.46 3.76 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 1.11 0.00 0.00 30 W 8.49 4.24 0.00 3.42 3.30 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 31 S 8.52 3.83 0.00 4.13 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 0.00 32 A 7.57 4.36 1.56 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 0.00 0.00 33 Q 7.39 4.32 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 34 Q 7.03 4.04 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.00 35 P 0.00 4.37 0.00 2.16 2.10 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 36 G 8.48 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 0.00 0.00 0.00 37 K 7.50 4.24 0.00 1.68 1.56 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.46 7.81 38 T 8.49 4.39 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 1.18 0.00 0.00 39 H 7.77 4.85 0.00 3.06 3.25 0.00 5.89 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 40 F 8.49 4.39 0.00 3.10 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 41 D 8.74 4.90 0.00 2.83 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 42 T 7.95 4.67 4.32 0.00 0.00 0.00 0.00 0.00 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 43 V 8.38 3.99 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 0.83 0.00 0.00 0.80 0.00 0.00 44 A 8.36 4.40 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 45 E 7.45 4.66 0.00 1.89 1.77 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 2.05 2.14 0.00 46 V 8.44 3.97 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 0.84 0.00 0.00 0.96 0.00 0.00 47 V 8.34 3.77 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 0.78 0.00 0.00 0.91 0.00 0.00 48 K 7.46 4.40 0.00 1.60 1.49 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.30 7.81 49 V 7.80 4.49 1.62 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 0.75 0.00 0.00 0.74 0.00 0.00 50 E 8.70 5.12 0.00 1.83 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 0.00 2.18 2.21 0.00 51 T 8.36 4.83 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 1.42 0.00 0.00 52 Q 8.02 4.33 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.97 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 53 V 8.42 3.65 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 0.81 0.00 0.00 0.92 0.00 0.00 54 V 8.23 4.22 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 0.80 0.00 0.00 0.91 0.00 0.00 55 A 8.98 4.91 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 56 G 7.74 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 0.00 0.00 0.00 57 T 6.99 4.53 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 1.18 0.00 0.00 58 N 8.75 5.19 0.00 2.66 2.76 0.00 0.00 6.98 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 9.10 4.47 0.00 2.96 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 60 R 8.59 4.77 0.00 1.83 1.85 0.00 3.17 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 61 L 9.47 4.76 0.00 1.47 1.51 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.51 4.86 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 63 L 9.27 4.88 0.00 1.45 1.51 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.63 4.84 0.00 1.61 1.73 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 65 V 8.96 4.60 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 1.04 0.00 0.00 1.13 0.00 0.00 66 A 8.33 4.95 1.18 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 67 E 9.01 4.05 0.00 2.09 1.88 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 2.40 2.35 0.00 68 S 8.53 5.12 0.00 3.94 3.98 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 69 T 8.26 4.22 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 1.20 0.00 0.00 70 C 7.83 4.56 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 71 E 8.35 4.69 0.00 2.03 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 0.00 2.34 2.32 0.00 72 L 8.61 4.30 0.00 1.64 1.76 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.96 3.99 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 74 S 8.01 4.70 0.00 3.93 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 75 T 8.18 4.13 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 1.24 0.00 0.00 76 Y 8.67 4.02 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 77 N 7.94 4.88 0.00 2.63 2.45 0.00 0.00 6.95 6.75 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 78 K 8.72 3.56 0.00 1.92 2.05 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 D 8.27 4.45 0.00 2.84 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 80 T 7.75 4.37 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 1.16 0.00 0.00 81 C 8.22 4.52 0.00 2.13 2.78 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 82 L 7.57 4.61 0.00 1.58 1.56 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.80 0.00 2.07 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 84 K 8.84 3.94 0.00 2.00 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.40 7.81 85 A 8.85 4.09 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 86 D 8.33 4.39 0.00 2.69 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 87 A 7.27 3.87 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 88 A 8.40 4.40 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 89 H 8.79 4.91 0.00 3.03 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.21 4.70 0.00 1.73 1.83 0.00 3.15 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 1.57 1.61 0.00 91 T 8.49 4.87 4.37 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 1.20 0.00 0.00 92 C 9.16 5.58 0.00 2.65 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 93 T 8.74 5.11 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 1.14 0.00 0.00 94 T 8.30 4.72 3.53 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 0.00 0.00 0.00 1.06 0.00 0.00 95 V 9.02 5.01 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 1.02 0.00 0.00 0.95 0.00 0.00 96 V 9.00 4.98 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 0.88 0.00 0.00 1.03 0.00 0.00 97 F 8.94 5.09 0.00 3.40 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 98 E 8.19 4.85 0.00 2.10 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 2.11 1.99 0.00 99 N 7.76 4.47 0.00 3.01 3.05 0.00 0.00 6.71 6.67 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 0.00 100 L 8.60 3.91 0.00 1.64 1.79 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.19 3.97 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 102 G 8.32 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 0.00 103 D 8.07 4.55 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 5.60 0.00 1.62 1.72 0.00 1.73 0.00 0.00 2.37 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.32 7.81 105 S 8.43 4.56 0.00 3.91 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 0.00 106 V 8.55 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 1.02 0.00 0.00 0.98 0.00 0.00 107 S 9.05 4.48 0.00 3.93 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 0.00 108 P 0.00 4.32 0.00 2.26 2.18 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 109 F 9.15 4.48 0.00 2.80 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 0.00 110 E 9.03 4.79 0.00 1.85 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 0.00 2.24 2.40 0.00 111 C 8.68 5.51 0.00 2.84 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 0.00 112 E 8.83 4.09 0.00 1.98 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 2.35 2.26 0.00 113 A 8.62 4.08 1.29 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 0.00 0.00 0.00 114 A 8.03 4.18 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 * Residues marked with a * may have inaccurate shift predictions.