NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5147 8.4293 116.1883 55.1243 29.4861 173.2348 2 C 4.1351 7.4790 114.8202 56.7818 30.0069 172.7036 3 D 4.4991 8.3577 118.1311 55.0458 40.3028 175.3425 4 L 4.0668 7.4497 121.2751 57.3117 42.1510 175.9318 5 P 4.5597 0.0000 0.0000 62.3343 32.2984 175.2731 6 C 4.3830 8.4397 112.8509 57.5453 30.9312 175.0627 7 G 3.9542 8.3158 107.4770 45.4903 0.0000 172.8136 8 V 4.3494 7.2649 118.9300 60.9934 32.9460 174.3799 9 Y 4.6636 8.1090 123.3449 56.8381 42.1136 174.2989 10 D 3.6530 7.9492 118.1270 51.6947 43.8060 174.6582 11 P 4.0619 0.0000 0.0000 64.6912 31.1466 178.0334 12 A 3.9867 8.4741 120.5669 55.1879 17.6267 179.6643 13 Q 3.7945 7.9685 116.5095 58.9706 28.6630 178.7883 14 A 4.0695 7.7562 121.3539 55.0135 18.4645 179.4558 15 R 3.8235 8.1265 117.3281 59.7479 30.2635 178.7867 16 I 3.7210 8.0501 119.8873 64.4679 37.0705 178.3641 17 E 3.9889 7.9873 118.3068 59.3441 29.3522 179.2491 18 A 4.0737 8.2961 120.8773 55.0243 18.3493 179.5800 19 E 3.9635 8.5160 117.8722 59.6366 29.4417 179.6593 20 S 4.1344 7.9897 115.2068 61.4049 62.9459 176.7087 21 V 3.5632 7.8071 121.0042 66.0042 31.2645 178.0883 22 K 4.1217 8.0765 118.9535 59.5236 32.0885 178.6910 23 A 4.2359 8.2056 121.1033 55.2018 18.1683 179.7460 24 I 3.7754 8.0566 118.6527 64.5676 37.1867 178.5839 25 Q 4.0096 7.9873 118.8109 58.9383 28.4952 178.7806 26 E 4.0003 8.3170 119.5929 59.4750 29.4253 179.5960 27 K 4.1277 8.2220 118.4408 59.7136 32.0371 179.3647 28 M 4.3288 8.4330 119.1337 58.2660 31.6285 178.5165 29 A 4.1754 7.7943 119.4073 54.3178 18.6314 178.6832 30 A 4.5298 7.5605 117.8779 52.0856 19.2368 176.7790 31 N 4.6759 7.5941 114.0488 52.1601 40.8492 173.1944 32 D 4.7777 8.7114 124.7032 53.2317 40.1040 176.5523 33 D 4.4151 8.4561 120.6779 54.5095 42.4466 176.1592 34 L 3.9280 8.7103 128.5906 59.0165 42.1486 178.9565 35 H 4.1173 8.3074 115.3102 58.8335 28.6125 177.4844 36 F 4.2243 8.9353 122.7292 61.3471 39.2210 177.2994 37 Q 3.9001 8.4436 117.9559 58.7254 28.4042 178.8386 38 I 3.6280 7.8773 120.9275 64.4002 37.1209 178.6222 39 R 3.8123 7.9293 118.5855 59.2145 29.8181 178.9639 40 A 3.7289 7.8016 120.8059 55.3183 18.2689 179.8217 41 T 3.7169 7.7253 114.1588 66.6398 68.4298 176.9760 42 V 3.5131 7.7960 120.0937 66.2924 31.5113 178.2418 43 I 3.9278 7.9882 119.7845 64.1075 36.8044 178.3904 44 K 3.9045 8.3409 121.0083 59.2046 31.9646 178.4963 45 E 3.8953 8.1108 119.7226 59.3827 29.5679 178.9118 46 Q 3.9697 7.8374 117.7465 59.1383 28.8134 179.0319 47 R 3.9493 8.3144 119.1295 59.0980 30.0199 178.9941 48 A 4.0147 8.3725 121.0851 54.9400 18.2496 179.3166 49 E 3.8512 8.2222 117.9294 59.4431 29.6628 179.0370 50 L 3.9069 7.9480 118.8260 57.7157 41.6741 179.3312 51 A 4.0456 8.1564 120.6751 55.1622 18.2283 179.8389 52 K 3.9106 8.2022 117.0891 59.7683 32.0631 179.0419 53 H 4.1314 8.4827 118.7099 59.7117 29.9073 177.0500 54 H 4.2247 8.4087 118.2356 58.8779 28.5096 177.8772 55 L 4.0958 8.0243 120.8483 57.8251 41.3678 179.1347 56 D 4.5541 8.4697 119.2485 57.5361 40.6869 179.1218 57 V 3.7164 8.1184 118.8198 65.8870 31.5230 178.1199 58 L 3.9231 8.0350 118.6953 57.5045 41.2503 179.3300 59 W 4.6527 8.4438 127.5296 60.5556 30.8097 177.7713 60 S 4.0218 8.6298 113.2719 60.3890 62.9445 175.2168 61 D 4.6964 8.2698 120.9558 55.8435 41.7721 177.3994 62 Y 3.4672 7.4314 118.2728 59.9960 39.0183 175.6812 63 F 4.0546 7.9744 118.1637 57.1181 39.5348 174.7973 64 K 4.7124 8.0659 122.7932 52.9817 36.2672 175.2479 65 P 4.4182 0.0000 0.0000 65.9320 31.0690 176.9221 66 P 4.2420 0.0000 0.0000 65.9019 31.0670 178.4440 67 H 4.3286 7.9572 114.9809 58.9980 28.7791 177.9551 68 F 4.3512 7.5902 119.0148 60.4788 38.5248 177.5263 69 E 4.1553 8.5182 118.2456 59.5217 29.3672 179.1998 70 S 4.2867 8.0968 114.1633 59.8318 64.2428 174.1307 71 Y 4.6551 8.1456 119.7320 54.6575 37.7938 174.0477 72 P 4.6483 0.0000 0.0000 64.0460 32.1281 177.1826 73 E 4.3926 8.1603 114.5544 56.5603 30.6604 177.8316 74 L 3.9382 8.4733 123.0907 58.6446 42.0412 178.2657 75 H 4.3841 8.3160 115.6290 59.4481 28.7219 177.6470 76 T 3.8096 7.9482 116.8315 66.4715 68.3247 176.2406 77 L 3.8161 7.9372 122.1922 58.2167 42.0635 179.3002 78 V 3.5695 7.8128 118.1904 65.7900 31.4690 177.4858 79 N 4.0013 8.0596 116.9237 56.6401 38.6619 176.7668 80 E 3.7100 8.3613 120.2038 58.9545 29.4601 179.1882 81 A 3.8852 7.4832 120.8123 55.3281 18.5028 180.2110 82 V 3.6026 7.9005 111.1257 64.3281 31.5657 179.0491 83 K 3.9816 8.0772 118.2188 59.1711 31.8306 179.2724 84 A 4.0900 8.2420 121.6833 55.0841 18.2974 179.7086 85 L 4.0212 7.8672 117.4553 57.9352 41.5244 179.8524 86 S 4.1124 8.1113 115.1067 61.5236 62.5180 176.5863 87 A 4.0157 7.8439 122.3990 55.0196 18.4905 179.2782 88 A 4.1838 7.9779 120.7191 54.3700 18.1644 180.0486 89 K 3.9397 7.7374 116.4297 59.4896 32.2244 178.5703 90 A 4.4035 7.4221 117.3326 51.5404 18.6135 176.7474 91 S 4.6212 7.2805 111.9674 57.5872 65.6454 173.9034 92 T 4.3536 8.3497 113.4158 61.2600 69.4391 173.7450 93 D 4.5528 8.2336 124.1581 53.1200 41.2975 174.9896 94 P 4.7184 0.0000 0.0000 64.8698 31.2419 178.3010 95 A 4.0178 8.5164 120.0765 55.1732 17.6915 179.7160 96 T 4.0325 8.3534 108.9883 64.7500 68.9691 177.3208 97 G 3.6026 8.0319 108.1837 47.6108 0.0000 175.2886 98 Q 3.9746 8.4536 122.4674 58.7135 29.0452 178.2212 99 K 3.7699 8.2081 120.4751 59.3371 32.1343 178.5588 100 A 4.1365 7.9088 120.4903 55.3963 18.3657 179.6147 101 L 3.9575 7.9148 117.3340 57.9655 41.4922 179.6052 102 D 4.3110 8.2045 119.0725 57.6314 40.7706 178.4501 103 Y 4.2683 7.8449 117.2130 61.1362 37.8593 178.5097 104 I 3.8077 8.2964 120.8884 64.2743 37.1521 178.3038 105 A 4.1302 8.2542 121.7457 55.2673 18.1893 179.7434 106 Q 4.0168 8.0384 116.4198 59.1704 28.7805 179.0298 107 I 3.7575 7.9641 120.9160 64.3166 37.1313 177.9364 108 D 4.3556 8.6944 119.3612 57.1898 41.2069 178.1855 109 K 4.0968 8.3319 120.1127 59.7264 32.2083 178.8282 110 I 3.5322 7.7621 120.0074 64.1061 37.0474 177.9193 111 F 4.0677 8.6664 121.9425 61.4670 39.1409 177.4142 112 W 4.2339 8.2157 118.1264 59.5408 28.7612 178.4915 113 E 4.0924 8.1951 118.7829 59.6677 28.7604 179.4395 114 T 4.0753 7.8967 108.3150 64.2985 68.8550 176.2650 115 K 4.0786 7.3988 120.3748 58.5908 32.2396 178.6322 116 K 4.1633 8.0150 119.2453 58.8342 32.3083 176.4149 117 A 4.1981 7.9196 125.7081 52.6247 18.3043 176.8293 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 H 8.43 4.51 0.00 3.23 3.20 0.00 5.48 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 2 C 7.48 4.14 0.00 3.11 2.99 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 3 D 8.36 4.50 0.00 2.86 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 4 L 7.45 4.07 0.00 1.78 1.73 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.56 0.00 2.29 2.09 0.00 3.80 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 2.00 1.98 0.00 6 C 8.44 4.38 0.00 3.00 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 7 G 8.32 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 8 V 7.26 4.35 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 0.87 0.00 0.00 0.93 0.00 0.00 9 Y 8.11 4.66 0.00 2.69 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 10 D 7.95 3.65 0.00 2.58 2.35 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 11 P 0.00 4.06 0.00 2.22 1.87 0.00 2.63 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.17 0.00 12 A 8.47 3.99 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 13 Q 7.97 3.79 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 14 A 7.76 4.07 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 15 R 8.13 3.82 0.00 1.89 2.07 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 16 I 8.05 3.72 1.86 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 1.52 0.94 0.91 0.00 0.00 17 E 7.99 3.99 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 2.58 2.54 0.00 18 A 8.30 4.07 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 19 E 8.52 3.96 0.00 2.26 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 2.34 2.45 0.00 20 S 7.99 4.13 0.00 4.09 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 21 V 7.81 3.56 2.29 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.08 4.12 0.00 1.90 1.79 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.61 7.81 23 A 8.21 4.24 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 I 8.06 3.78 2.01 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 1.53 0.76 0.85 0.00 0.00 25 Q 7.99 4.01 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 26 E 8.32 4.00 0.00 2.23 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 2.34 2.53 0.00 27 K 8.22 4.13 0.00 2.15 2.20 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.68 7.81 28 M 8.43 4.33 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 29 A 7.79 4.18 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 30 A 7.56 4.53 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 31 N 7.59 4.68 0.00 2.39 2.40 0.00 0.00 7.15 8.35 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 32 D 8.71 4.78 0.00 2.83 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 33 D 8.46 4.42 0.00 2.90 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 34 L 8.71 3.93 0.00 1.79 1.65 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.31 4.12 0.00 3.46 3.41 0.00 5.87 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 36 F 8.94 4.22 0.00 3.15 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 37 Q 8.44 3.90 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 38 I 7.88 3.63 1.96 0.00 0.00 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 1.47 0.69 0.88 0.00 0.00 39 R 7.93 3.81 0.00 1.83 1.89 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 7.80 3.73 0.82 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 41 T 7.73 3.72 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 1.17 0.00 0.00 42 V 7.80 3.51 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 1.01 0.00 0.00 0.96 0.00 0.00 43 I 7.99 3.93 1.86 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 1.38 0.60 0.89 0.00 0.00 44 K 8.34 3.90 0.00 1.80 1.98 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.11 3.90 0.00 2.30 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 2.29 2.38 0.00 46 Q 7.84 3.97 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 47 R 8.31 3.95 0.00 1.81 1.98 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 48 A 8.37 4.01 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 49 E 8.22 3.85 0.00 2.20 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 0.00 2.29 2.38 0.00 50 L 7.95 3.91 0.00 1.92 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.16 4.05 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 52 K 8.20 3.91 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.62 7.81 53 H 8.48 4.13 0.00 3.21 3.43 0.00 5.79 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 54 H 8.41 4.22 0.00 3.33 3.28 0.00 5.67 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 55 L 8.02 4.10 0.00 1.88 1.75 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.47 4.55 0.00 2.91 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 57 V 8.12 3.72 2.29 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 1.34 0.00 0.00 0.93 0.00 0.00 58 L 8.04 3.92 0.00 2.11 1.72 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.44 4.65 0.00 3.46 3.60 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 60 S 8.63 4.02 0.00 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 0.00 61 D 8.27 4.70 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 3.47 0.00 1.43 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 63 F 7.97 4.05 0.00 2.97 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 0.00 0.00 0.00 64 K 8.07 4.71 0.00 1.51 1.55 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.39 7.81 65 P 0.00 4.42 0.00 2.15 2.19 0.00 3.58 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 2.14 2.30 0.00 66 P 0.00 4.24 0.00 1.88 2.00 0.00 3.38 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 1.96 2.10 0.00 67 H 7.96 4.33 0.00 2.81 3.15 0.00 5.64 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 68 F 7.59 4.35 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 4.16 0.00 2.05 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 2.38 2.59 0.00 70 S 8.10 4.29 0.00 3.78 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 71 Y 8.15 4.66 0.00 3.02 2.93 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 72 P 0.00 4.65 0.00 2.07 2.17 0.00 3.75 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 73 E 8.16 4.39 0.00 2.16 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 0.00 2.39 2.31 0.00 74 L 8.47 3.94 0.00 1.79 1.88 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.32 4.38 0.00 3.25 3.35 0.00 5.68 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 76 T 7.95 3.81 4.40 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 1.18 0.00 0.00 77 L 7.94 3.82 0.00 1.87 1.84 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.81 3.57 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 1.01 0.00 0.00 1.14 0.00 0.00 79 N 8.06 4.00 0.00 2.70 2.75 0.00 0.00 7.21 7.27 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 80 E 8.36 3.71 0.00 1.39 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 2.13 2.29 0.00 81 A 7.48 3.89 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 82 V 7.90 3.60 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 0.82 0.00 0.00 0.86 0.00 0.00 83 K 8.08 3.98 0.00 1.93 1.79 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.35 7.81 84 A 8.24 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.02 0.00 1.90 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.11 4.11 0.00 4.05 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 87 A 7.84 4.02 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 88 A 7.98 4.18 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 89 K 7.74 3.94 0.00 1.97 2.00 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.62 7.81 90 A 7.42 4.40 1.26 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 91 S 7.28 4.62 0.00 3.81 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 92 T 8.35 4.35 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 1.20 0.00 0.00 93 D 8.23 4.55 0.00 2.70 2.60 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 94 P 0.00 4.72 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 95 A 8.52 4.02 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 96 T 8.35 4.03 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 97 G 8.03 3.60 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 98 Q 8.45 3.97 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.21 3.77 0.00 1.97 1.97 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.32 7.81 100 A 7.91 4.14 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 0.00 101 L 7.91 3.96 0.00 1.92 1.74 0.93 1.11 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 0.00 102 D 8.20 4.31 0.00 2.60 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 0.00 103 Y 7.84 4.27 0.00 3.20 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 0.00 104 I 8.30 3.81 2.06 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 1.50 0.73 0.93 0.00 0.00 105 A 8.25 4.13 1.43 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 0.00 0.00 106 Q 8.04 4.02 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 107 I 7.96 3.76 2.09 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 1.46 0.78 1.09 0.00 0.00 108 D 8.69 4.36 0.00 2.91 2.95 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 0.00 109 K 8.33 4.10 0.00 2.05 2.02 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.58 7.81 110 I 7.76 3.53 1.85 0.00 0.00 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 0.91 0.32 0.04 0.00 0.00 111 F 8.67 4.07 0.00 3.02 2.95 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 0.00 112 W 8.22 4.23 0.00 3.56 3.24 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 0.00 113 E 8.20 4.09 0.00 2.34 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 0.00 2.45 2.55 0.00 114 T 7.90 4.08 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 1.36 0.00 0.00 115 K 7.40 4.08 0.00 1.93 1.93 0.00 1.55 0.00 0.00 1.08 0.00 0.00 2.77 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.48 0.21 7.81 116 K 8.02 4.16 0.00 1.86 2.18 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 117 A 7.92 4.20 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