NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3266 8.2644 123.5838 52.1694 19.4412 176.7358 18 R 3.8109 8.6429 113.1414 58.8742 30.3962 174.6623 19 S 4.5724 7.5804 110.0308 57.0066 66.5224 172.4129 20 L 5.0655 8.6959 123.2980 54.7005 42.2742 176.3023 21 S 4.7323 8.5770 118.7966 57.6644 66.2413 173.0958 22 I 5.0972 8.2727 120.7670 59.9476 40.1583 175.0990 23 T 4.3316 8.7772 122.1133 63.8555 69.7893 175.3439 24 T 3.4048 8.7151 112.5892 62.2895 67.0369 170.2830 25 P 4.5572 0.0000 0.0000 64.5537 32.6833 175.7826 26 E 5.1263 7.4379 119.9781 54.7718 33.2828 173.8985 27 E 4.8118 8.3661 122.1391 56.0376 32.8729 175.1624 28 M 5.2108 8.7007 125.8312 54.1452 34.4561 175.7172 29 I 4.4900 7.9967 119.6945 60.5591 41.7968 173.5750 30 E 5.1543 8.9104 126.7746 54.6001 31.6099 175.5182 31 K 4.8059 8.7243 122.1729 54.4693 36.9134 175.6017 32 A 4.6719 8.5532 123.1177 50.5484 20.6856 177.0847 33 K 4.0563 8.1184 120.8626 57.9078 32.4697 176.1090 34 G 4.1293 8.9778 114.2348 45.0239 0.0000 173.5227 35 E 4.2869 7.8108 118.5007 56.3725 30.8898 176.2441 36 T 4.9215 8.3394 110.8391 60.4546 71.1714 173.6728 37 A 4.6560 9.0181 125.5166 50.4504 21.4790 174.9447 38 Y 4.7635 8.6415 124.4898 56.4738 40.0817 175.2571 39 L 4.3381 8.2339 129.1327 52.4985 42.4302 174.0428 40 P 4.3612 0.0000 0.0000 62.3806 32.3872 177.8163 41 C 5.0293 9.1380 123.2257 55.0114 44.7015 171.2787 42 K 5.2890 8.2866 121.5910 54.2916 34.4234 175.2777 43 F 5.4714 8.5687 118.5215 55.7227 41.9640 173.4160 44 T 4.6770 9.0606 116.8215 61.9763 71.4019 173.7071 45 L 5.0875 8.5540 124.7233 53.4298 44.4543 175.4939 46 S 4.8217 8.8132 114.3740 55.8444 65.7825 173.3551 47 P 4.2621 0.0000 0.0000 65.8572 31.1281 177.7748 48 E 4.1621 7.5626 114.0399 58.2809 29.9187 177.8146 49 D 4.8030 7.8669 120.7461 54.2649 38.4505 175.8104 50 Q 4.3597 8.0361 117.7000 55.4466 29.7353 176.2315 51 G 3.9405 7.7788 108.3756 43.5245 0.0000 171.7480 52 P 4.3534 0.0000 0.0000 62.2405 31.7683 175.9068 53 L 4.2359 8.4213 124.4474 55.4247 42.9591 176.5889 54 D 4.8889 8.9778 125.6591 53.0904 42.6882 172.7970 55 I 4.9277 8.7802 124.1266 59.6004 39.6811 174.3145 56 E 5.3379 9.2650 123.2558 54.7952 33.5315 173.8608 57 W 5.2256 9.3344 121.9794 55.2670 31.7554 175.1904 58 L 5.3346 9.4090 123.1020 52.9139 45.9539 175.2092 59 I 4.4445 8.6350 120.8092 59.4203 41.1437 174.4953 60 S 4.9036 8.5937 126.7010 56.2833 63.0870 171.7603 61 P 4.5147 0.0000 0.0000 62.3911 31.5396 176.7874 62 A 4.1299 8.5632 125.1803 55.3368 18.6920 179.7427 63 D 4.5064 8.2629 114.8645 56.8036 40.9791 175.8746 64 N 5.1366 7.3835 113.8322 50.5315 40.6944 174.3973 65 Q 4.1156 8.8971 117.2371 58.8958 28.7987 178.1309 66 K 4.0082 7.1137 116.3908 57.2748 32.8871 176.4332 67 V 4.2621 7.5637 118.8094 61.2412 34.6808 174.6693 68 D 4.2365 8.2736 121.4157 55.1759 37.9988 173.8116 69 Q 4.5372 7.9471 118.9024 54.5157 31.2426 177.4665 70 V 4.1660 8.3641 123.6999 63.0599 31.8455 175.1092 71 I 4.5884 8.5775 120.3573 62.1168 39.6103 175.6284 72 I 5.0923 7.6435 120.6302 59.2880 41.8927 173.5819 73 L 5.4718 9.2477 126.2835 53.2637 46.4047 174.7319 74 Y 5.2402 9.2089 124.0078 56.0620 41.4958 174.2157 75 S 4.5288 9.0937 120.7122 57.5579 66.6359 174.2195 76 G 3.7511 9.4819 113.9136 46.8074 0.0000 173.2807 77 D 4.7536 7.9487 113.5576 54.1154 39.9104 172.9297 78 K 4.5207 7.3530 115.7482 54.2285 35.6249 175.1283 79 I 4.8859 8.0421 122.0223 59.9681 38.7445 174.7736 80 Y 4.6781 8.9575 124.0560 56.5053 39.1027 175.8209 81 D 4.8167 8.5649 123.6577 53.1207 40.2593 175.9948 82 D 4.4703 7.8544 119.8526 56.6313 41.7558 177.1076 83 Y 4.1738 8.0623 116.1375 60.6916 38.1382 174.9881 84 Y 4.6170 7.9875 122.3965 55.3070 39.2405 173.6420 85 P 4.2090 0.0000 0.0000 65.8548 31.6397 178.6257 86 D 4.2722 7.5295 115.7593 57.2487 40.9115 177.3758 87 L 4.4141 7.9716 116.7951 54.1020 41.9668 176.0687 88 K 3.8483 7.7164 120.4248 58.1687 32.0850 176.7270 89 G 3.9701 8.9585 113.4411 45.8753 0.0000 173.4500 90 R 4.5917 8.0299 117.6331 55.0356 32.6152 175.6853 91 V 5.1508 7.4926 118.7965 61.0024 33.1493 174.8144 92 H 4.8523 8.2230 123.1301 54.1206 33.2789 172.9645 93 F 4.9132 8.8827 121.7184 58.2500 39.0826 175.3542 94 T 4.4235 8.9437 111.2866 61.5886 69.9186 174.4713 95 S 4.6228 7.9726 116.6865 56.3146 64.0798 172.9576 96 N 4.5803 8.9348 123.9400 53.8213 38.0562 174.9656 97 D 4.8549 7.6028 119.3717 53.3071 40.9758 176.4566 98 L 4.0910 7.4619 125.6076 58.0485 42.8453 178.7130 99 K 4.1570 7.8123 115.9682 58.6904 32.0571 177.6995 100 S 4.3315 7.8164 112.4232 58.7062 63.3154 172.8945 101 G 2.0000 6.0910 109.8286 45.3283 0.0000 173.4940 102 D 4.7088 7.3986 120.7437 52.4367 41.9273 173.3132 103 A 4.8306 9.3137 126.6968 51.8990 19.6675 177.3052 104 S 4.7414 9.0496 115.6345 59.9387 64.1132 173.6363 105 I 4.9173 7.9933 116.0634 59.0916 41.2990 173.6456 106 N 5.3170 9.0936 120.1045 51.4382 41.6190 174.0182 107 V 4.6991 8.4891 123.8179 61.4675 33.5539 174.9258 108 T 4.4837 8.7509 118.9094 60.0748 71.0348 173.7683 109 N 4.4255 8.3465 117.8230 52.7010 37.4239 174.0751 110 L 4.1661 7.9292 118.4861 55.8862 42.8776 177.9040 111 Q 4.8093 8.6265 121.3316 54.0346 31.0637 176.9379 112 L 4.0261 8.3298 119.2616 57.9746 41.7540 179.2576 113 S 4.8146 7.9613 110.0613 59.2487 63.1794 174.3852 114 D 4.6662 7.6592 120.9680 55.7826 41.1229 176.7137 115 I 3.9323 7.5875 120.9708 60.9870 38.3099 176.0460 116 G 4.2143 7.8224 113.5745 46.5773 0.0000 170.7951 117 T 5.0417 7.6899 117.0178 62.5044 69.9100 174.0051 118 Y 5.0331 9.5412 125.4493 56.5642 40.2596 174.5822 119 Q 5.0229 9.6091 125.3173 54.3388 32.5832 173.0597 120 C 4.1108 8.8522 126.6496 54.3231 43.6594 172.0627 121 K 4.8465 8.8039 128.7440 54.5405 34.2276 174.6797 122 V 4.4587 8.6139 127.9776 60.8720 34.2113 174.2661 123 K 4.8631 8.5965 126.7108 54.6449 35.8817 175.7338 124 K 5.0356 8.8067 125.5829 54.4665 34.2060 173.9237 125 A 4.3836 8.5979 127.2487 51.4675 19.3223 175.9888 126 P 4.4145 0.0000 0.0000 63.0909 32.0195 176.9294 127 G 3.7405 7.9313 109.8182 45.9858 0.0000 173.0139 128 V 4.8778 7.9402 121.1420 61.3836 34.7304 173.4208 129 A 4.8802 8.9477 127.8215 50.8802 22.9486 174.5312 130 N 5.8380 8.3185 115.2161 51.5733 40.7647 173.6303 131 K 4.8009 8.2736 119.8042 54.9135 36.0898 174.6303 132 K 5.1462 8.8174 125.3049 54.6637 35.6537 175.1653 133 I 4.9258 9.3504 125.3327 59.8451 40.4574 174.5638 134 H 4.8940 9.0890 125.8013 55.3492 29.6248 174.2062 135 L 5.1260 9.0181 126.5719 53.2845 44.3909 175.2761 136 V 4.6774 8.8551 125.7115 61.0618 35.0352 174.2690 137 V 4.8840 8.2995 125.0859 61.4395 34.2417 174.9139 138 L 4.6660 8.5952 128.2698 53.2688 44.8458 177.2441 139 V 3.9760 7.9180 118.3436 63.4988 31.8572 174.7812 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 17 A 8.26 4.33 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 18 R 8.64 3.81 0.00 1.85 1.98 0.00 3.32 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 19 S 7.58 4.57 0.00 3.88 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 20 L 8.70 5.07 0.00 1.84 1.55 0.81 0.92 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 21 S 8.58 4.73 0.00 3.92 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 22 I 8.27 5.10 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.98 0.00 0.00 23 T 8.78 4.33 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 1.23 0.00 0.00 24 T 8.72 3.40 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 1.23 0.00 0.00 25 P 0.00 4.56 0.00 2.13 2.32 0.00 3.68 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 2.07 1.96 0.00 26 E 7.44 5.13 0.00 2.06 1.79 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 2.19 2.10 0.00 27 E 8.37 4.81 0.00 2.06 1.75 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 2.19 2.23 0.00 28 M 8.70 5.21 0.00 1.96 1.99 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 2.53 2.42 0.00 29 I 8.00 4.49 1.87 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 1.37 0.58 0.91 0.00 0.00 30 E 8.91 5.15 0.00 1.83 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 2.23 2.32 0.00 31 K 8.72 4.81 0.00 1.65 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.49 7.81 32 A 8.55 4.67 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 33 K 8.12 4.06 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 G 8.98 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 0.00 0.00 0.00 0.00 35 E 7.81 4.29 0.00 2.05 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 2.32 2.26 0.00 36 T 8.34 4.92 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 1.23 0.00 0.00 37 A 9.02 4.66 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 38 Y 8.64 4.76 0.00 2.91 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 39 L 8.23 4.34 0.00 0.88 1.35 0.10 0.57 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 40 P 0.00 4.36 0.00 2.00 2.09 0.00 3.65 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 2.11 2.20 0.00 41 C 9.14 5.03 0.00 3.29 3.26 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 42 K 8.29 5.29 0.00 1.79 1.67 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 43 F 8.57 5.47 0.00 3.17 3.05 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 44 T 9.06 4.68 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 1.22 0.00 0.00 45 L 8.55 5.09 0.00 1.57 1.65 1.04 1.03 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 46 S 8.81 4.82 0.00 3.88 4.09 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 0.00 0.00 0.00 47 P 0.00 4.26 0.00 2.06 2.19 0.00 3.68 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 2.04 2.10 0.00 48 E 7.56 4.16 0.00 1.90 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 2.31 2.28 0.00 49 D 7.87 4.80 0.00 2.85 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 50 Q 8.04 4.36 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 51 G 7.78 3.94 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 52 P 0.00 4.35 0.00 2.20 2.08 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 1.95 0.00 53 L 8.42 4.24 0.00 1.75 1.79 0.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.98 4.89 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.78 4.93 2.12 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.03 0.00 0.00 56 E 9.26 5.34 0.00 2.10 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 2.12 2.25 0.00 57 W 9.33 5.23 0.00 3.27 3.17 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 0.00 58 L 9.41 5.33 0.00 1.46 1.52 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.63 4.44 1.26 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.67 0.09 0.00 0.00 60 S 8.59 4.90 0.00 3.71 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 61 P 0.00 4.51 0.00 2.09 2.05 0.00 3.88 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 62 A 8.56 4.13 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 63 D 8.26 4.51 0.00 2.68 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 64 N 7.38 5.14 0.00 2.75 2.76 0.00 0.00 7.01 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 65 Q 8.90 4.12 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 66 K 7.11 4.01 0.00 2.06 1.86 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.46 7.81 67 V 7.56 4.26 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 0.77 0.00 0.00 0.89 0.00 0.00 68 D 8.27 4.24 0.00 2.86 2.75 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 69 Q 7.95 4.54 0.00 1.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 70 V 8.36 4.17 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 0.63 0.00 0.00 0.74 0.00 0.00 71 I 8.58 4.59 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.73 0.00 0.00 72 I 7.64 5.09 1.79 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.74 0.00 0.00 73 L 9.25 5.47 0.00 2.21 1.80 0.91 0.84 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 74 Y 9.21 5.24 0.00 3.13 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 75 S 9.09 4.53 0.00 3.92 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 76 G 9.48 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 77 D 7.95 4.75 0.00 2.82 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 78 K 7.35 4.52 0.00 1.76 1.09 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.28 7.81 79 I 8.04 4.89 1.97 0.00 0.00 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 1.94 0.83 1.18 0.00 0.00 80 Y 8.96 4.68 0.00 3.26 2.96 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 81 D 8.56 4.82 0.00 2.70 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 82 D 7.85 4.47 0.00 2.44 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 0.00 0.00 0.00 0.00 83 Y 8.06 4.17 0.00 3.22 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 84 Y 7.99 4.62 0.00 3.23 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 85 P 0.00 4.21 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 86 D 7.53 4.27 0.00 2.47 2.75 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 87 L 7.97 4.41 0.00 1.86 1.78 1.05 1.10 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 88 K 7.72 3.85 0.00 1.90 1.77 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.43 7.81 89 G 8.96 3.97 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 0.00 0.00 0.00 90 R 8.03 4.59 0.00 1.89 2.08 0.00 3.38 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 7.49 5.15 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 0.64 0.00 0.00 0.89 0.00 0.00 92 H 8.22 4.85 0.00 3.04 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.88 4.91 0.00 3.04 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 94 T 8.94 4.42 4.46 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 0.00 0.00 0.00 1.38 0.00 0.00 95 S 7.97 4.62 0.00 3.94 3.81 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 96 N 8.93 4.58 0.00 2.87 2.94 0.00 0.00 6.06 8.06 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 97 D 7.60 4.85 0.00 2.60 2.53 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 98 L 7.46 4.09 0.00 1.54 1.17 -0.47 -0.28 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 99 K 7.81 4.16 0.00 1.79 1.90 0.00 1.92 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 100 S 7.82 4.33 0.00 3.83 3.81 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 0.00 101 G 6.09 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 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.40 4.71 0.00 2.50 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 0.00 0.00 0.00 0.00 103 A 9.31 4.83 1.55 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 0.00 0.00 0.00 104 S 9.05 4.74 0.00 3.91 3.38 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 0.00 105 I 7.99 4.92 1.28 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.17 0.00 0.00 106 N 9.09 5.32 0.00 2.58 2.71 0.00 0.00 6.85 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 0.00 107 V 8.49 4.70 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 0.94 0.00 0.00 0.59 0.00 0.00 108 T 8.75 4.48 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 1.21 0.00 0.00 109 N 8.35 4.43 0.00 2.93 2.80 0.00 0.00 7.66 6.66 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 0.00 110 L 7.93 4.17 0.00 1.80 1.61 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.63 4.81 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 112 L 8.33 4.03 0.00 1.72 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.96 4.81 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.66 4.67 0.00 2.88 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 0.00 115 I 7.59 3.93 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.54 0.94 0.00 0.00 116 G 7.82 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 0.00 0.00 0.00 0.00 117 T 7.69 5.04 4.14 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 0.00 0.00 0.00 1.20 0.00 0.00 118 Y 9.54 5.03 0.00 2.95 3.15 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 0.00 119 Q 9.61 5.02 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 120 C 8.85 4.11 0.00 1.23 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 0.00 0.00 0.00 121 K 8.80 4.85 0.00 1.64 1.50 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.23 7.81 122 V 8.61 4.46 1.72 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 -0.04 0.00 0.00 0.55 0.00 0.00 123 K 8.60 4.86 0.00 1.79 1.59 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.26 7.81 124 K 8.81 5.04 0.00 1.76 1.62 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 125 A 8.60 4.38 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 0.00 126 P 0.00 4.41 0.00 2.18 2.16 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 G 7.93 3.74 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 0.00 0.00 0.00 128 V 7.94 4.88 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 0.71 0.00 0.00 0.89 0.00 0.00 129 A 8.95 4.88 1.15 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 0.00 0.00 130 N 8.32 5.84 0.00 2.65 2.64 0.00 0.00 6.09 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 0.00 131 K 8.27 4.80 0.00 1.76 1.50 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 132 K 8.82 5.15 0.00 1.81 1.75 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 133 I 9.35 4.93 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 1.02 0.00 0.00 134 H 9.09 4.89 0.00 3.19 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 9.02 5.13 0.00 1.78 1.75 0.98 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.86 4.68 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 0.92 0.00 0.00 0.98 0.00 0.00 137 V 8.30 4.88 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 0.91 0.00 0.00 0.97 0.00 0.00 138 L 8.60 4.67 0.00 1.66 1.60 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.92 3.98 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 0.80 0.00 0.00 0.94 0.00 0.00