NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5143 8.3649 120.3159 53.3925 41.4184 174.3210 2 C 3.9423 8.9883 122.4562 54.5049 38.5023 171.2460 3 P 4.5293 0.0000 0.0000 62.1781 32.5802 175.7812 4 S 4.3508 8.6369 116.7377 60.6889 63.1311 173.9517 5 G 4.1101 9.2435 112.6371 44.9987 0.0000 173.5878 6 W 5.0203 8.4334 118.3661 55.4298 31.1912 176.2452 7 S 5.1981 9.5541 118.4293 56.9533 65.7768 173.4349 8 S 5.4986 8.7528 117.4770 57.5323 65.0184 173.3971 9 Y 3.9682 9.1600 121.6332 58.3290 41.3854 174.0884 10 E 3.5788 9.0215 123.5093 57.5764 26.1672 175.8198 11 G 3.8678 8.0507 107.7281 45.5415 0.0000 170.4198 12 H 5.0438 8.1761 115.9575 54.0144 33.3131 171.7110 13 C 5.8432 8.4955 116.3226 55.6712 41.0993 172.8829 14 Y 5.7886 9.8707 120.3790 56.5611 42.2334 174.8145 15 K 4.4280 8.7528 122.9752 54.6335 35.5185 173.3298 16 P 4.7796 0.0000 0.0000 62.3143 33.0131 175.5568 17 F 4.1350 8.6566 120.0517 54.8392 42.2234 175.8408 18 K 4.0481 7.9873 129.1211 55.3999 31.1211 175.7791 19 L 4.5994 6.6973 120.3324 53.0513 45.4268 176.9894 20 Y 4.9596 8.4656 120.7178 56.9838 39.2749 174.7122 21 K 4.8467 9.0688 123.3568 54.7021 37.5819 176.4642 22 T 5.5050 8.4085 111.3342 60.4407 69.9462 175.2896 23 W 2.5400 8.4060 131.3830 60.2133 30.3151 177.8392 24 D 4.1916 7.8837 118.1957 57.5006 40.3322 178.3674 25 D 4.2699 7.8197 118.6248 56.8101 40.7033 178.7746 26 A 2.9680 7.4904 121.5126 54.7424 18.3752 179.1104 27 E 3.3340 7.0550 117.7159 59.2573 29.2540 179.1273 28 R 3.7483 7.4147 117.4678 59.1903 30.4447 177.8411 29 F 4.0530 8.2005 120.7270 61.5462 39.4017 176.5035 30 C 4.3595 8.6277 116.7457 60.1103 39.7409 176.1519 31 T 4.1489 7.2775 111.2686 63.6791 68.4128 175.6990 32 E 4.1550 7.4972 119.6105 57.5121 29.8835 177.7501 33 Q 4.2032 7.4564 116.7765 56.9717 29.5284 175.4417 34 A 4.3668 6.8757 120.1886 50.4571 21.8605 175.1814 35 K 4.1042 8.3697 122.0432 57.6558 32.5137 177.1142 36 G 3.8208 8.8603 114.0701 46.1453 0.0000 173.3293 37 G 3.9018 7.8013 106.9085 46.4236 0.0000 173.2148 38 H 5.2155 8.5901 118.3495 54.1511 34.2105 172.8156 39 L 4.6936 8.6819 120.3074 54.4414 42.2817 178.1039 40 V 4.0722 8.8500 122.8216 62.6329 32.1891 175.1849 41 S 4.8856 9.1282 118.8454 56.4322 64.7923 173.8043 42 I 4.6188 8.3037 124.7718 60.3637 37.3117 174.7133 43 E 4.7757 10.7800 124.2202 55.5790 29.9785 176.7498 44 S 4.6726 7.6209 112.2070 56.4438 66.4365 176.2170 45 A 4.1265 8.4775 125.1504 55.3058 18.1881 180.2829 46 G 3.8219 8.1423 105.1132 47.5130 0.0000 175.3728 47 E 3.7496 8.7135 121.8366 58.8121 29.6542 178.7387 48 A 4.1245 8.4734 121.4046 54.9507 18.3124 179.1215 49 D 4.1980 8.5692 117.0476 57.6383 41.5492 178.0707 50 F 3.7724 7.9822 121.1106 61.2874 38.9929 177.3881 51 V 3.2268 7.8216 117.4516 65.6517 31.3411 177.8144 52 A 3.9706 8.0326 120.6221 55.1590 18.2200 179.3477 53 Q 3.7633 8.1294 118.2375 59.2264 29.2527 178.2417 54 L 3.6098 7.1309 120.8024 57.9327 41.9755 179.1795 55 V 3.1848 7.6435 118.2270 66.1255 31.2022 177.8352 56 T 3.8240 7.5765 114.4545 66.9264 68.4720 175.8380 57 E 4.1870 7.8144 117.6402 57.5337 29.8083 176.9850 58 N 4.7139 7.6924 113.6059 52.5817 40.7272 174.5533 59 I 4.2012 7.7750 118.7181 59.1194 37.6366 174.4560 60 Q 4.5981 7.6190 122.3293 54.4166 32.7000 174.4404 61 N 4.2744 8.7677 113.3139 55.2807 35.8285 175.4065 62 T 4.5599 7.8494 106.1556 59.4842 71.5449 173.8559 63 K 3.7434 8.2014 119.7424 56.7576 29.2641 172.3583 64 S 4.2823 7.1829 112.1576 58.1781 67.0339 173.4404 65 Y 4.8212 8.2120 118.4919 57.2465 40.2638 175.5618 66 V 4.5067 8.7924 120.4309 60.6593 34.5201 174.8675 67 W 5.4639 8.8706 128.7023 57.4263 29.8908 175.3993 68 I 4.9257 8.8184 116.9200 58.7826 40.6003 176.5015 69 G 3.8172 9.3853 110.8888 46.5154 0.0000 173.5034 70 L 4.1759 7.4320 123.9334 54.0064 42.4592 175.7381 71 R 4.3239 7.6651 120.6405 55.0342 31.8166 174.5087 72 V 3.7604 7.6537 112.7428 60.8333 32.1953 177.0294 73 Q 3.8749 8.6602 124.0342 58.8893 28.8436 177.2161 74 G 4.3610 7.4751 103.9420 44.6118 0.0000 173.4278 75 K 4.3964 8.1957 118.7735 55.9521 32.6255 176.6418 76 E 4.0781 7.6979 119.2302 56.4307 29.8673 178.0088 77 K 3.3210 8.4283 119.5665 57.3829 32.5053 176.5470 78 Q 4.3163 6.8421 114.2673 56.2326 30.7692 173.6731 79 C 4.7679 8.3222 113.4895 57.9371 28.3745 173.4977 80 S 4.5200 7.5952 112.7536 56.4078 65.3453 173.4599 81 S 4.3609 8.7302 122.5469 60.2153 62.7295 173.2235 82 E 5.0994 7.5440 115.1156 54.2007 32.5150 174.5713 83 W 4.4728 8.8242 120.7628 55.7777 30.0644 177.7589 84 S 4.3229 8.8418 113.7435 60.9031 62.4180 174.6340 85 D 4.6380 8.3144 119.4095 53.0334 39.4056 177.2741 86 G 4.0795 8.3123 109.6485 45.7757 0.0000 174.7173 87 S 4.3543 8.3713 114.8331 57.9304 63.7126 173.9035 88 S 4.4867 8.4448 116.3658 58.1798 62.8642 173.8269 89 V 4.4522 8.2573 125.9168 61.9899 30.6074 174.2667 90 S 4.6578 8.1183 121.9887 59.2527 66.4145 173.6943 91 Y 4.3043 8.1085 123.2318 58.5861 39.5141 176.0542 92 E 4.5076 7.7293 124.3190 55.2623 34.2109 174.9982 93 N 4.8724 7.7870 118.5771 52.1957 39.1055 174.6112 94 W 4.2647 7.8357 118.7555 56.5584 30.6960 176.6826 95 I 4.1109 8.4137 123.1216 60.5013 37.6396 176.0461 96 E 3.7412 9.1733 126.7578 59.5282 29.2933 178.5800 97 A 3.1004 7.4263 117.2674 53.0296 18.5302 177.6469 98 E 4.1867 8.3323 115.3005 57.1985 29.9999 176.6988 99 S 3.9357 7.6979 114.7209 56.7952 61.4159 173.0027 100 K 4.6569 8.2743 128.8363 55.3238 31.4991 175.9209 101 T 4.5603 8.1755 112.6855 61.1648 70.2771 174.0512 102 C 5.1267 8.4403 118.8279 55.4754 39.1520 172.8161 103 L 5.8711 7.6555 119.1016 52.5630 44.5753 175.9243 104 G 4.5171 8.4064 107.6804 45.1082 0.0000 171.9555 105 L 5.4440 9.3958 122.4148 53.9806 43.8980 175.5845 106 E 4.9674 8.5438 117.0697 54.6026 33.0464 176.3331 107 K 2.0000 8.3548 122.5039 59.0423 32.6520 178.2864 108 E 3.7889 8.0506 118.3551 59.2481 29.5780 178.0867 109 T 4.4096 7.7020 107.2989 61.3226 69.3335 174.7535 110 G 4.0040 8.4440 108.2317 47.4930 0.0000 174.2183 111 F 4.0781 8.0888 114.8117 58.4780 37.0946 176.3795 112 R 4.7286 7.9926 114.9853 55.5109 30.8652 175.3799 113 K 4.5106 7.9049 118.6914 54.3473 35.2047 175.5343 114 W 4.8315 8.8041 127.4640 56.3859 29.9039 175.5992 115 V 4.3965 8.5432 125.9133 60.8963 33.1919 174.6395 116 N 5.0381 8.8163 125.9527 53.4712 38.9798 174.3488 117 I 4.7143 9.3890 117.3485 58.8981 42.0757 173.8097 118 Y 4.6691 8.7043 124.7741 58.1151 39.2565 177.6956 119 C 4.4033 9.1170 124.3880 59.4355 40.5504 175.5427 120 G 2.9022 5.5466 106.7297 46.4516 0.0000 174.0648 121 Q 4.2649 7.7911 119.7561 56.5005 29.2102 175.5945 122 Q 5.0871 8.5598 119.2274 54.4363 29.7977 174.4465 123 N 5.2972 9.0574 121.3500 50.1735 43.1728 172.2836 124 P 5.4805 0.0000 0.0000 62.6564 33.8896 174.0505 125 F 5.2579 7.6319 113.1550 56.6765 41.5924 172.7235 126 V 4.9425 8.2588 115.3738 61.9021 34.8587 174.0930 127 C 5.5799 9.5497 125.0801 55.8516 37.7375 172.3297 128 E 5.3746 9.4793 121.4586 54.7634 32.9925 175.0367 129 A 4.3128 8.9766 128.0817 52.1359 19.0313 175.5447 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 D 8.36 4.51 0.00 2.79 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 2 C 8.99 3.94 0.00 3.29 3.37 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 3 P 0.00 4.53 0.00 2.15 1.96 0.00 3.28 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 1.71 1.96 0.00 4 S 8.64 4.35 0.00 3.93 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 5 G 9.24 4.11 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 0.00 0.00 0.00 6 W 8.43 5.02 0.00 3.28 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 7 S 9.55 5.20 0.00 4.04 4.06 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 8 S 8.75 5.50 0.00 3.92 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 9 Y 9.16 3.97 0.00 1.43 2.34 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 10 E 9.02 3.58 0.00 1.68 1.81 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 1.69 1.47 0.00 11 G 8.05 3.87 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 0.00 0.00 0.00 12 H 8.18 5.04 0.00 3.23 2.80 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.50 5.84 0.00 2.70 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 14 Y 9.87 5.79 0.00 3.08 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 15 K 8.75 4.43 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.15 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.54 7.81 16 P 0.00 4.78 0.00 1.79 1.77 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 17 F 8.66 4.13 0.00 1.51 2.26 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 18 K 7.99 4.05 0.00 1.49 1.56 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.26 7.81 19 L 6.70 4.60 0.00 1.39 1.41 0.53 0.79 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 20 Y 8.47 4.96 0.00 2.96 3.10 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 21 K 9.07 4.85 0.00 1.58 1.56 0.00 1.22 0.00 0.00 1.52 0.00 0.00 2.35 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.33 1.41 7.81 22 T 8.41 5.51 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 1.29 0.00 0.00 23 W 8.41 2.54 0.00 2.03 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 24 D 7.88 4.19 0.00 2.69 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 25 D 7.82 4.27 0.00 2.58 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 26 A 7.49 2.97 0.40 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 27 E 7.06 3.33 0.00 1.16 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 1.85 2.06 0.00 28 R 7.41 3.75 0.00 1.75 1.94 0.00 3.27 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 29 F 8.20 4.05 0.00 3.03 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 30 C 8.63 4.36 0.00 3.04 3.18 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 31 T 7.28 4.15 4.12 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 1.16 0.00 0.00 32 E 7.50 4.15 0.00 1.79 1.82 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 2.30 2.34 0.00 33 Q 7.46 4.20 0.00 2.36 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 34 A 6.88 4.37 0.87 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 0.00 0.00 35 K 8.37 4.10 0.00 1.64 1.64 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 G 8.86 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 37 G 7.80 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 0.00 0.00 0.00 38 H 8.59 5.22 0.00 3.03 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.68 4.69 0.00 1.52 1.67 -0.19 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.85 4.07 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 0.93 0.00 0.00 1.32 0.00 0.00 41 S 9.13 4.89 0.00 4.02 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 42 I 8.30 4.62 2.27 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 1.24 0.00 0.00 43 E 10.78 4.78 0.00 2.06 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 2.34 2.32 0.00 44 S 7.62 4.67 0.00 4.08 4.02 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 0.00 0.00 0.00 45 A 8.48 4.13 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 46 G 8.14 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 47 E 8.71 3.75 0.00 2.38 2.31 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 2.49 2.57 0.00 48 A 8.47 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.20 0.00 2.77 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 50 F 7.98 3.77 0.00 2.12 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 51 V 7.82 3.23 2.22 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 1.04 0.00 0.00 1.02 0.00 0.00 52 A 8.03 3.97 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 53 Q 8.13 3.76 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 54 L 7.13 3.61 0.00 1.23 1.40 0.69 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.64 3.18 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 -0.24 0.00 0.00 0.74 0.00 0.00 56 T 7.58 3.82 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 1.25 0.00 0.00 57 E 7.81 4.19 0.00 1.83 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 0.00 2.37 2.40 0.00 58 N 7.69 4.71 0.00 2.63 2.59 0.00 0.00 6.76 7.01 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 59 I 7.77 4.20 1.55 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 1.02 0.33 0.70 0.00 0.00 60 Q 7.62 4.60 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 61 N 8.77 4.27 0.00 2.87 2.90 0.00 0.00 6.72 7.54 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 62 T 7.85 4.56 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 1.22 0.00 0.00 63 K 8.20 3.74 0.00 1.83 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 64 S 7.18 4.28 0.00 3.84 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 65 Y 8.21 4.82 0.00 2.61 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 66 V 8.79 4.51 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 0.99 0.00 0.00 0.88 0.00 0.00 67 W 8.87 5.46 0.00 3.48 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 68 I 8.82 4.93 1.89 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.98 0.00 0.00 69 G 9.39 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 70 L 7.43 4.18 0.00 1.47 1.22 0.83 0.51 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 71 R 7.67 4.32 0.00 1.30 0.98 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 72 V 7.65 3.76 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 0.59 0.00 0.00 0.78 0.00 0.00 73 Q 8.66 3.87 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 74 G 7.48 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 0.00 0.00 0.00 0.00 75 K 8.20 4.40 0.00 1.68 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 76 E 7.70 4.08 0.00 1.98 1.84 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 2.33 2.32 0.00 77 K 8.43 3.32 0.00 1.34 0.74 0.00 1.57 0.00 0.00 2.16 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.28 1.23 7.81 78 Q 6.84 4.32 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.35 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 79 C 8.32 4.77 0.00 2.87 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 80 S 7.60 4.52 0.00 3.71 3.67 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 0.00 0.00 0.00 81 S 8.73 4.36 0.00 3.89 3.83 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 82 E 7.54 5.10 0.00 2.33 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 0.00 2.19 2.36 0.00 83 W 8.82 4.47 0.00 3.66 3.29 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 84 S 8.84 4.32 0.00 4.04 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 85 D 8.31 4.64 0.00 2.79 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 86 G 8.31 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 87 S 8.37 4.35 0.00 4.03 4.01 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 0.00 0.00 0.00 88 S 8.44 4.49 0.00 3.92 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 89 V 8.26 4.45 2.17 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 0.80 0.00 0.00 0.60 0.00 0.00 90 S 8.12 4.66 0.00 4.00 3.80 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 0.00 0.00 0.00 91 Y 8.11 4.30 0.00 2.95 3.01 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 0.00 0.00 0.00 92 E 7.73 4.51 0.00 1.92 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 2.24 2.56 0.00 93 N 7.79 4.87 0.00 2.18 2.52 0.00 0.00 7.08 7.95 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 94 W 7.84 4.26 0.00 3.24 3.07 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 0.00 0.00 0.00 0.00 95 I 8.41 4.11 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.89 0.00 0.00 96 E 9.17 3.74 0.00 2.00 1.81 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 2.46 2.42 0.00 97 A 7.43 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.33 4.19 0.00 2.40 2.33 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 2.37 2.44 0.00 99 S 7.70 3.94 0.00 3.08 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.66 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.46 7.81 101 T 8.18 4.56 4.06 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 1.02 0.00 0.00 102 C 8.44 5.13 0.00 3.08 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 0.00 103 L 7.66 5.87 0.00 1.67 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.41 4.52 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 0.00 0.00 0.00 105 L 9.40 5.44 0.00 1.93 1.97 1.15 1.21 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 0.00 106 E 8.54 4.97 0.00 1.93 2.25 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 2.23 2.28 0.00 107 K 8.35 2.00 0.00 1.60 1.60 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.30 7.81 108 E 8.05 3.79 0.00 1.87 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 0.00 2.26 2.29 0.00 109 T 7.70 4.41 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 1.25 0.00 0.00 110 G 8.44 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 0.00 0.00 0.00 111 F 8.09 4.08 0.00 3.17 3.09 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 0.00 112 R 7.99 4.73 0.00 1.94 1.89 0.00 3.34 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 113 K 7.90 4.51 0.00 1.69 1.67 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.46 7.81 114 W 8.80 4.83 0.00 3.35 3.02 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 0.00 0.00 0.00 115 V 8.54 4.40 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 0.94 0.00 0.00 1.14 0.00 0.00 116 N 8.82 5.04 0.00 2.64 2.89 0.00 0.00 6.84 7.45 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 0.00 117 I 9.39 4.71 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 0.08 0.00 0.00 118 Y 8.70 4.67 0.00 3.23 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 0.00 119 C 9.12 4.40 0.00 2.78 2.89 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 0.00 120 G 5.55 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 0.00 0.00 0.00 121 Q 7.79 4.26 0.00 2.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 122 Q 8.56 5.09 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 123 N 9.06 5.30 0.00 1.56 2.63 0.00 0.00 6.63 7.80 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 0.00 124 P 0.00 5.48 0.00 1.88 1.74 0.00 3.97 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.64 0.00 125 F 7.63 5.26 0.00 3.27 3.48 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 0.00 126 V 8.26 4.94 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 1.28 0.00 0.00 0.86 0.00 0.00 127 C 9.55 5.58 0.00 3.20 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 0.00 128 E 9.48 5.37 0.00 1.99 1.74 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 1.90 1.47 0.00 129 A 8.98 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00