NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6461 8.3493 120.2198 54.3880 41.8814 173.1139 4 Y 4.9942 7.2577 118.2239 55.4182 41.9855 174.1046 5 T 4.7920 8.8351 113.8334 62.3678 73.8122 174.5971 6 V 4.5436 8.9319 125.5269 61.7912 33.8882 174.2928 7 H 5.2071 8.7101 124.3208 54.2008 31.0670 173.4063 8 I 4.4975 8.7646 125.3211 60.7632 39.2342 175.7507 9 V 4.5692 7.9278 123.9102 61.9425 34.7186 172.8530 10 D 4.9547 8.5389 126.3668 53.2136 43.7773 174.5408 11 D 4.4650 8.8065 122.5914 55.3639 40.3218 176.9749 12 E 4.3961 8.3716 122.8190 55.5877 29.7705 177.3405 13 E 4.0169 8.9030 124.9621 60.6871 29.7047 173.8958 14 P 4.4508 0.0000 0.0000 65.9674 31.4936 178.8283 15 V 3.6583 7.7879 117.7526 65.4193 31.3968 177.8263 16 R 3.9864 7.9120 120.6351 59.9246 29.8981 179.6825 17 K 4.1166 7.8499 122.3934 60.0711 31.6645 180.7509 18 S 4.3877 8.1674 113.8434 61.2871 62.2203 175.8242 19 L 3.9913 8.3446 122.2858 58.3454 42.0041 178.9271 20 A 3.9731 8.4547 120.8896 55.2759 18.1887 179.3242 21 F 4.2373 8.6110 119.2430 61.6583 39.3651 176.8898 22 M 3.6335 8.1386 117.7140 58.7173 32.0560 178.2052 23 L 4.2089 8.1456 119.1380 58.0098 41.6444 179.7910 24 T 4.0115 8.0620 115.7577 66.9854 68.2957 176.5014 25 M 3.9287 7.7291 118.6155 58.0855 32.0207 176.8127 26 N 4.7219 7.4186 115.1838 52.7404 39.0022 175.9288 27 G 3.7350 8.1497 108.7200 45.2299 0.0000 174.0725 28 F 4.6779 7.6812 117.8013 56.6921 40.7800 175.3676 29 A 4.5342 8.4677 121.9725 50.8256 20.0415 176.3467 30 V 4.5965 8.1375 120.8456 62.3490 34.6152 175.2268 31 K 4.4040 8.3052 123.8367 55.7505 35.4438 174.6851 32 M 4.6541 8.5442 127.2534 54.9273 34.0636 175.5460 33 H 4.9457 8.3138 117.7898 54.0018 32.3446 174.7278 34 Q 4.1214 9.2050 122.3243 58.7109 28.7672 176.7233 35 S 4.5697 7.4588 110.9058 56.2760 67.2007 176.6695 36 A 4.0406 8.2398 123.9902 55.6687 18.1375 179.7483 37 E 4.1205 8.3841 116.2615 59.6084 29.4337 179.4569 38 A 4.0813 8.0579 120.9281 54.8596 18.4087 179.3331 39 F 4.1052 8.3389 119.2908 61.4220 39.3419 177.2122 40 L 3.6308 8.2161 118.0300 57.8084 41.5700 179.1577 41 A 4.0907 7.3908 119.1244 55.4957 18.6815 179.3947 42 F 4.1821 8.1646 118.0011 60.3039 39.3237 176.9459 43 A 3.3703 7.8785 121.5117 54.8755 17.8530 177.7558 44 P 4.1818 0.0000 0.0000 64.8764 31.3907 177.6339 45 D 4.3544 7.2666 116.9613 54.6643 41.5804 177.2776 46 V 3.3431 6.2752 120.2345 64.2588 31.7558 176.8785 *47 R 4.2966 8.2755 124.6427 56.7181 31.6251 171.7872 48 N 4.4162 10.1995 123.6290 51.9274 34.2924 174.2273 49 G 4.6008 7.4656 103.3965 45.0097 0.0000 171.9583 50 V 4.4347 9.3649 124.2497 61.4180 34.1538 174.1894 51 L 5.1091 8.6634 127.0638 53.2598 44.7539 175.1082 52 V 4.7615 8.5517 126.4096 61.6950 34.1693 174.6875 53 T 4.8931 8.1229 122.8367 62.0403 72.8748 172.9852 54 D 4.4743 8.4774 126.4584 55.4627 42.0966 174.7437 55 L 4.0193 9.0383 125.0232 56.2394 41.7334 177.3269 56 R 4.0814 8.7598 124.9272 57.6640 30.9969 176.0168 57 M 4.9088 8.2164 121.4020 52.5689 35.6981 173.3183 58 P 4.3010 0.0000 0.0000 66.0348 31.3609 177.6715 59 D 4.3935 7.3382 121.5881 54.0194 41.6476 175.4575 60 M 4.5886 7.5744 119.3622 53.7979 34.7555 176.6798 61 S 4.5946 8.4512 119.7292 57.4725 64.9168 175.0990 62 G 3.6253 8.3941 112.4394 47.8743 0.0000 176.1998 63 V 3.5758 7.7517 120.1958 65.9481 31.5926 177.5939 64 E 3.9474 8.2457 117.6814 59.6071 29.0950 179.1780 65 L 4.0122 8.4304 119.5674 57.9542 42.3234 178.7461 66 L 4.2163 7.7491 118.8278 57.5395 41.5653 179.5024 67 R 3.9131 8.3078 118.3429 59.4828 29.8137 178.9236 68 N 4.5647 8.5347 116.2233 55.9959 38.4742 177.1043 69 L 4.1964 7.7921 120.0638 56.6730 41.6481 179.3772 70 G 3.5290 8.3246 106.5292 48.0558 0.0000 175.2639 71 D 4.2099 8.1118 120.4731 56.8205 40.9151 177.9227 72 L 4.3013 7.5758 118.0879 54.2819 41.8924 177.0647 73 K 3.8639 8.6436 120.4075 55.3395 29.5547 179.7600 74 I 4.1475 7.5254 122.1868 61.6433 38.1189 177.5116 75 N 4.6543 8.4815 122.8937 50.9241 36.1991 171.0859 76 I 4.5293 7.6499 123.1167 57.7064 39.3344 173.2170 77 P 4.2241 0.0000 0.0000 63.1889 32.3440 175.5732 78 S 5.0241 8.5191 118.4636 56.9615 66.4499 173.0738 79 I 4.3467 8.5764 126.5098 60.4234 38.9624 175.1449 80 V 4.5932 8.4941 125.7223 61.1975 34.2395 174.1936 81 I 4.6879 8.8145 129.8125 60.5490 38.3980 175.7091 82 T 4.6813 8.7022 117.9249 60.1816 71.7757 173.8952 83 G 4.3170 8.3701 108.2866 44.8417 0.0000 172.9742 84 H 4.2453 9.0091 120.8865 57.5652 30.1724 175.3132 85 G 3.9574 9.3097 116.1553 47.0295 0.0000 173.7780 86 D 4.7517 7.5590 120.1303 51.9929 41.3543 176.5323 87 V 3.5571 8.0953 124.0577 65.1774 31.9541 175.2234 88 P 4.2391 0.0000 0.0000 65.9593 31.1734 178.4779 89 M 3.9953 7.9749 116.4122 58.3777 31.8130 178.2255 90 A 4.0082 7.2387 118.8445 55.2887 18.7763 179.5858 91 V 3.5424 7.7183 116.3415 66.2247 31.8691 177.8288 92 E 3.9276 8.5894 118.9170 58.9252 29.2419 178.3565 93 A 4.2644 7.7383 120.0070 54.8396 18.6716 179.3477 94 M 4.2308 8.0730 117.5548 58.2267 31.8569 178.7300 95 K 3.9212 8.0487 118.5055 58.4836 32.6281 176.8773 96 A 4.4052 7.1690 118.5326 51.7609 19.0445 177.4020 97 G 4.0511 7.8038 103.9618 45.0987 0.0000 174.3671 98 A 4.2399 8.1783 124.1884 51.8206 18.9692 178.0187 99 V 3.8294 8.0547 123.9043 65.8173 32.1367 175.5753 100 D 5.0586 7.9227 117.8079 52.9008 44.8317 173.4930 101 F 5.5206 8.9626 116.4820 55.1797 41.5004 174.8033 102 I 3.9022 8.2455 120.2743 59.4119 40.5469 174.5807 103 E 4.8578 8.4967 128.1651 55.7652 30.3729 175.9597 104 K 5.0198 8.0694 123.8104 54.1738 34.5249 174.3260 105 P 4.4676 0.0000 0.0000 61.9088 32.7212 176.3151 106 F 4.8302 7.5310 118.1715 56.5028 40.5499 174.0502 107 E 4.6388 9.2616 115.5111 56.0331 31.7994 176.8198 108 D 4.1761 7.8456 122.4231 56.2082 41.0560 178.7042 109 T 3.8883 8.0227 109.3804 65.3890 68.5665 176.2639 110 V 3.6039 8.4239 121.0701 65.5773 31.5865 177.9380 111 I 3.5544 7.6168 117.9677 64.0175 37.9125 177.7685 112 I 3.9067 8.1959 121.0381 64.2970 36.8756 178.2294 113 E 4.0914 8.0039 118.6518 59.0676 29.2476 178.9474 114 A 4.0447 7.8738 120.5147 54.6832 18.3817 179.8201 115 I 3.7094 7.7869 118.7897 64.4260 37.0821 178.2172 116 E 4.1149 7.8703 117.9534 59.4698 29.6226 179.3141 117 R 4.2055 8.0870 117.8071 59.3703 30.0221 178.9622 118 A 3.9851 7.7342 119.9153 54.1982 18.4680 179.1209 119 S 3.9124 7.7742 112.1488 59.9604 63.0519 175.3712 120 E 4.3414 7.6962 121.0036 57.5354 29.6396 176.4961 121 H 4.6905 7.6884 115.3807 56.2963 30.3696 175.7236 122 L 4.8742 6.7727 125.5410 53.8260 39.9187 177.3428 123 V 3.9891 8.2570 122.2832 62.9857 32.4398 172.9303 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 D 8.35 4.65 0.00 2.69 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 4 Y 7.26 4.99 0.00 3.25 2.90 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 5 T 8.84 4.79 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 1.08 0.00 0.00 6 V 8.93 4.54 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 0.77 0.00 0.00 0.57 0.00 0.00 7 H 8.71 5.21 0.00 2.97 3.00 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.76 4.50 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.11 0.88 0.00 0.00 9 V 7.93 4.57 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 0.85 0.00 0.00 0.78 0.00 0.00 10 D 8.54 4.95 0.00 2.68 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 11 D 8.81 4.47 0.00 2.84 2.79 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 12 E 8.37 4.40 0.00 2.06 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 0.00 2.30 2.32 0.00 13 E 8.90 4.02 0.00 1.97 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 2.32 1.96 0.00 14 P 0.00 4.45 0.00 2.25 2.33 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 15 V 7.79 3.66 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 1.10 0.00 0.00 0.97 0.00 0.00 16 R 7.91 3.99 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 17 K 7.85 4.12 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.32 7.81 18 S 8.17 4.39 0.00 4.00 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 19 L 8.34 3.99 0.00 1.97 1.82 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.45 3.97 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 21 F 8.61 4.24 0.00 3.15 3.35 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 22 M 8.14 3.63 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 23 L 8.15 4.21 0.00 1.87 1.80 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.06 4.01 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 1.24 0.00 0.00 25 M 7.73 3.93 0.00 1.61 1.42 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 26 N 7.42 4.72 0.00 2.87 2.69 0.00 0.00 7.13 7.51 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 27 G 8.15 3.73 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 0.00 0.00 0.00 28 F 7.68 4.68 0.00 2.99 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 29 A 8.47 4.53 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 30 V 8.14 4.60 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 0.74 0.00 0.00 0.99 0.00 0.00 31 K 8.31 4.40 0.00 1.86 1.77 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.36 1.21 7.81 32 M 8.54 4.65 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 33 H 8.31 4.95 0.00 3.25 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.20 4.12 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 35 S 7.46 4.57 0.00 4.13 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 36 A 8.24 4.04 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 37 E 8.38 4.12 0.00 2.05 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 2.44 2.42 0.00 38 A 8.06 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.11 0.00 3.12 3.27 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 40 L 8.22 3.63 0.00 1.71 1.71 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.39 4.09 1.37 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 42 F 8.16 4.18 0.00 3.13 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 43 A 7.88 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.18 0.00 1.90 2.03 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 45 D 7.27 4.35 0.00 2.13 2.36 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 46 V 6.28 3.34 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 0.86 0.00 0.00 0.75 0.00 0.00 *47 R 8.28 4.30 0.00 1.81 1.67 0.00 3.35 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 48 N 10.20 4.42 0.00 3.00 3.15 0.00 0.00 6.68 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 49 G 7.47 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 9.36 4.43 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 0.88 0.00 0.00 0.93 0.00 0.00 51 L 8.66 5.11 0.00 1.80 1.48 0.43 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.55 4.76 1.97 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 0.77 0.00 0.00 0.78 0.00 0.00 53 T 8.12 4.89 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 1.21 0.00 0.00 54 D 8.48 4.47 0.00 2.69 2.58 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 55 L 9.04 4.02 0.00 1.81 1.49 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.76 4.08 0.00 1.82 1.95 0.00 3.31 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 57 M 8.22 4.91 0.00 1.96 2.13 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 2.87 2.70 0.00 58 P 0.00 4.30 0.00 2.18 2.12 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 59 D 7.34 4.39 0.00 2.71 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 60 M 7.57 4.59 0.00 1.97 2.11 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 2.50 2.51 0.00 61 S 8.45 4.59 0.00 3.94 3.72 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 62 G 8.39 3.63 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 0.00 0.00 0.00 63 V 7.75 3.58 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 1.16 0.00 0.00 0.94 0.00 0.00 64 E 8.25 3.95 0.00 2.22 2.02 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 2.42 2.39 0.00 65 L 8.43 4.01 0.00 1.68 1.98 1.10 1.18 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 66 L 7.75 4.22 0.00 1.97 1.71 0.97 1.28 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 67 R 8.31 3.91 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 68 N 8.53 4.56 0.00 3.05 2.88 0.00 0.00 7.09 6.72 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 69 L 7.79 4.20 0.00 1.88 1.72 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.32 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 0.00 0.00 0.00 0.00 71 D 8.11 4.21 0.00 2.66 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 72 L 7.58 4.30 0.00 1.49 1.65 0.86 0.87 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 73 K 8.64 3.86 0.00 1.73 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.26 7.81 74 I 7.53 4.15 1.85 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 1.10 0.97 0.87 0.00 0.00 75 N 8.48 4.65 0.00 2.74 2.64 0.00 0.00 6.59 7.72 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 76 I 7.65 4.53 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.11 1.14 0.00 0.00 77 P 0.00 4.22 0.00 2.01 1.99 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 78 S 8.52 5.02 0.00 3.72 3.73 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 79 I 8.58 4.35 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.95 0.82 0.00 0.00 80 V 8.49 4.59 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 1.03 0.00 0.00 0.95 0.00 0.00 81 I 8.81 4.69 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.21 1.06 0.00 0.00 82 T 8.70 4.68 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 1.37 0.00 0.00 83 G 8.37 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 0.00 0.00 0.00 0.00 84 H 9.01 4.25 0.00 3.20 3.27 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.31 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 86 D 7.56 4.75 0.00 2.76 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 87 V 8.10 3.56 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 0.97 0.00 0.00 0.92 0.00 0.00 88 P 0.00 4.24 0.00 2.19 2.09 0.00 3.65 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 2.11 2.18 0.00 89 M 7.97 4.00 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.56 0.00 90 A 7.24 4.01 1.32 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 0.00 0.00 0.00 91 V 7.72 3.54 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 0.94 0.00 0.00 0.86 0.00 0.00 92 E 8.59 3.93 0.00 2.24 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 2.31 2.34 0.00 93 A 7.74 4.26 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 94 M 8.07 4.23 0.00 2.03 2.16 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 2.52 2.81 0.00 95 K 8.05 3.92 0.00 1.70 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 96 A 7.17 4.41 1.37 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 97 G 7.80 4.05 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 0.00 0.00 0.00 98 A 8.18 4.24 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 99 V 8.05 3.83 2.02 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 0.62 0.00 0.00 0.82 0.00 0.00 100 D 7.92 5.06 0.00 2.78 2.39 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 0.00 101 F 8.96 5.52 0.00 3.04 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 0.00 102 I 8.25 3.90 1.55 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 0.79 0.47 0.68 0.00 0.00 103 E 8.50 4.86 0.00 2.11 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 2.34 2.39 0.00 104 K 8.07 5.02 0.00 1.88 1.74 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.72 7.81 105 P 0.00 4.47 0.00 2.03 1.95 0.00 3.82 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 1.94 1.90 0.00 106 F 7.53 4.83 0.00 3.11 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 0.00 107 E 9.26 4.64 0.00 2.12 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 0.00 2.32 2.29 0.00 108 D 7.85 4.18 0.00 2.81 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 0.00 109 T 8.02 3.89 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 1.22 0.00 0.00 110 V 8.42 3.60 2.37 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 0.90 0.00 0.00 1.01 0.00 0.00 111 I 7.62 3.55 1.53 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.96 0.00 0.00 112 I 8.20 3.91 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 1.21 0.00 0.00 113 E 8.00 4.09 0.00 2.00 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 2.57 2.47 0.00 114 A 7.87 4.04 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 0.00 115 I 7.79 3.71 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.78 0.00 0.00 116 E 7.87 4.11 0.00 2.15 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 2.56 2.77 0.00 117 R 8.09 4.21 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 118 A 7.73 3.99 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 0.00 119 S 7.77 3.91 0.00 2.79 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 0.00 120 E 7.70 4.34 0.00 2.20 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 2.44 0.00 121 H 7.69 4.69 0.00 3.14 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 6.77 4.87 0.00 1.62 0.88 0.70 0.79 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 0.00 123 V 8.26 3.99 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 0.56 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.