NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0208 8.3549 109.7414 45.4680 0.0000 175.0504 5 S 4.3129 9.3882 121.7788 60.9105 63.2183 174.9548 6 R 3.6500 7.9961 120.2548 59.2694 31.5571 177.3480 7 R 3.6684 7.9893 117.1595 59.0331 29.9063 176.2965 8 Y 4.4683 8.3654 112.7644 57.4961 38.1774 174.8515 9 D 4.5928 7.7400 120.9520 53.6351 41.1651 176.5135 10 S 4.1174 8.7247 123.7465 59.7134 64.0025 174.2336 11 R 3.7974 8.4616 118.6511 57.1322 26.7416 177.3930 12 T 4.1068 7.8061 106.8490 63.7020 69.9750 175.1455 13 T 4.5946 7.2714 110.8396 60.3440 68.2282 172.8699 14 I 4.5804 7.0902 114.3201 59.4393 41.4364 175.7301 15 F 4.6403 8.4534 119.9098 56.9535 39.9667 175.8434 16 S 4.6097 8.2409 117.7201 55.5958 64.2772 173.5986 17 P 4.4983 0.0000 0.0000 65.0734 31.0576 177.6681 18 E 4.1107 8.0768 116.1315 56.8363 29.9627 176.3605 19 G 3.6226 8.3551 107.0005 46.5992 0.0000 173.4122 20 R 4.6435 8.0469 116.5491 53.8890 33.4958 175.9371 21 L 4.7528 7.9362 120.4369 53.8446 40.9897 177.5305 22 Y 3.6102 7.2856 119.7337 60.8881 38.0819 178.2064 23 Q 4.0220 8.0351 118.2111 59.1483 28.9608 179.2938 24 V 3.5515 7.6429 118.5445 65.9431 31.5512 177.6448 25 E 3.9340 8.1098 118.2198 59.9039 29.3682 179.1038 26 Y 4.4216 8.1843 116.7069 60.9382 37.8489 178.5826 27 A 4.0281 8.7431 122.2750 55.1600 18.4926 179.5027 28 L 3.9201 8.1056 117.6089 58.1297 41.5163 179.2606 29 E 3.9266 8.1721 117.9349 59.4852 29.7141 178.7175 30 S 4.3136 8.0851 113.0722 61.4287 62.5389 176.0186 31 I 3.7119 7.8462 122.8427 64.3765 36.6711 178.2136 32 S 4.3444 8.0446 113.5331 60.6026 62.6501 174.5816 33 H 4.7267 7.8304 117.8872 55.4368 29.1560 174.2709 34 A 4.4622 8.2032 123.4274 50.5472 19.7350 177.7474 35 G 4.0271 8.5118 106.6729 46.3643 0.0000 173.6165 36 T 4.3174 8.6504 120.2142 63.4836 69.9061 173.1464 37 A 5.1820 8.4704 125.7836 50.2724 22.1590 175.3390 38 I 4.5950 9.7299 123.3722 59.2916 41.2423 174.8229 39 G 4.4196 8.7605 112.4075 44.4838 0.0000 171.9128 40 I 4.6824 8.9087 126.3895 59.6526 40.5707 174.0532 41 M 4.7964 8.8264 126.8347 53.9637 33.5488 175.0740 42 A 4.7778 8.8175 129.5957 49.9719 21.8626 176.4125 43 S 4.3228 8.6524 113.2739 60.8001 63.1322 174.9279 44 D 4.8870 8.9922 119.0157 50.5427 39.7349 175.9551 45 G 4.1290 6.9168 108.5809 46.3197 0.0000 171.4320 46 I 5.0855 7.6294 118.9578 59.3631 41.0986 175.5782 47 V 4.5193 8.9761 123.8801 61.1309 34.8303 174.1631 48 L 5.3397 8.6490 126.1961 52.9326 44.4645 175.7152 49 A 4.8341 9.2681 124.6527 50.2663 22.6444 174.6673 50 A 4.8216 8.4695 122.0151 50.3166 22.6327 174.8576 51 E 4.4381 9.2123 122.4653 54.4561 31.4170 175.6968 52 R 4.1566 8.5907 126.7254 56.0690 30.4749 176.0826 53 K 4.0296 8.5400 124.7523 56.3121 33.1184 173.3225 54 V 3.1729 8.5718 131.0540 62.8294 30.7516 171.1249 55 T 4.7169 7.9279 115.2564 60.4998 72.1213 172.1502 56 S 4.5354 7.9042 113.8685 57.6757 65.1744 175.6822 57 T 3.9829 8.6065 120.0352 66.7586 68.1842 176.3254 58 L 4.0904 7.5874 119.1311 56.7152 41.9092 177.4578 59 L 3.9104 7.1857 119.7246 54.9736 42.2011 176.0742 60 E 4.1134 8.7464 127.4586 56.1697 30.0659 175.7058 61 Q 4.4584 8.5089 125.8225 56.9854 30.8339 177.0796 62 D 4.3826 8.1220 116.9344 57.3348 41.0142 177.4913 63 T 4.1515 7.7143 114.1968 65.2568 69.0838 175.2815 63A S 4.3388 7.3063 115.3512 58.5435 62.9830 173.5192 64 T 4.4457 8.0327 121.0307 62.8770 72.0774 173.7569 65 E 4.9313 8.3107 119.4615 56.4799 32.7463 175.3887 66 K 4.7476 7.7763 116.2100 55.8457 36.5231 175.3767 67 L 5.0805 7.6967 119.1613 53.0822 43.6400 175.5721 68 Y 4.7035 8.7579 121.8107 55.7841 41.5704 175.1581 69 K 4.3206 8.7973 125.0241 55.8464 32.9033 176.1351 70 L 4.3827 8.5734 126.3139 56.2271 42.7711 175.4952 71 N 4.9085 7.9054 114.5485 52.8060 41.4681 172.5764 72 D 4.6662 8.7484 114.7971 55.5321 41.7938 177.1022 73 K 4.7319 7.9954 116.0975 55.8853 34.3509 175.5152 74 I 5.2299 7.6376 120.4418 59.7797 41.5787 173.9928 75 A 5.1015 8.9049 125.6265 51.0204 23.2526 175.4005 76 V 4.9610 8.8977 111.3760 59.5186 36.4824 174.5807 77 A 5.3098 8.8648 124.5243 50.3136 21.4536 175.6154 78 V 4.6951 9.1068 122.7660 61.2657 33.8287 175.4413 79 A 4.3171 9.1530 128.1397 53.1284 21.3846 173.4716 80 G 3.7263 8.7109 112.9721 45.0817 0.0000 173.3027 81 L 4.1032 8.8076 126.6902 54.8408 41.7360 177.8421 82 T 3.8271 8.8093 121.5471 66.5504 68.3217 176.0196 83 A 3.9969 8.0712 122.0142 55.5840 18.2169 179.1552 84 D 4.4431 8.1686 116.2793 57.4796 40.9384 178.7695 85 A 4.0216 8.1228 121.2838 55.2790 18.3209 179.2988 86 E 3.6657 8.3583 117.3814 59.6527 29.4109 179.4753 87 I 3.7077 7.4839 119.4185 64.6963 37.2462 178.4474 88 L 3.8294 7.5649 119.3569 57.6460 41.3398 179.4539 89 I 3.4722 8.2040 120.0811 64.4814 37.0604 177.8999 90 N 4.2642 8.3461 118.1501 56.9601 38.6933 176.9704 91 T 3.9092 7.7216 110.9936 64.5386 68.7507 176.4544 92 A 3.9474 8.0087 123.7061 55.1803 18.4085 179.7191 93 R 3.9072 8.1899 116.8192 59.4464 30.0470 179.4962 94 I 3.7144 7.8106 119.5701 64.6051 37.1765 177.6903 95 H 4.1913 8.5301 119.1824 59.4429 29.6228 176.9852 96 A 3.9440 8.0916 122.2611 55.4000 18.1961 179.6969 97 Q 4.0414 7.9987 116.1625 58.9848 28.6243 178.8291 98 N 4.3247 8.4374 117.7469 56.3926 38.6222 176.5707 99 Y 4.0710 8.1481 120.9561 60.8209 38.7605 178.0154 100 L 4.3694 8.1273 122.3444 57.6267 41.9501 178.9267 101 K 3.9104 7.9493 118.4902 59.7513 32.1937 178.7130 102 T 3.7627 7.9100 115.5319 65.7650 68.4294 175.4714 103 Y 4.5447 7.4443 114.7813 56.2704 39.7091 175.1001 104 N 4.3580 8.4236 116.7009 53.5006 36.8726 174.1255 105 E 4.8179 7.6756 114.5986 54.8460 34.0542 175.1138 106 D 4.5372 8.6855 122.8755 54.0793 41.5239 176.2954 107 I 2.8073 8.2689 123.6946 59.9417 38.7533 173.9037 108 P 4.1451 0.0000 0.0000 62.3855 32.1008 176.8511 109 V 3.4406 8.3524 123.2952 66.5153 31.3353 178.1686 110 E 3.8168 7.9859 117.9694 59.1756 29.0577 178.5800 111 I 3.6890 7.4721 119.7431 64.0783 37.1272 178.1748 112 L 3.9046 7.5431 120.7817 58.0004 42.0103 178.9857 113 V 3.0153 7.4682 118.2628 65.7868 31.3432 177.9786 114 R 3.8142 8.2941 118.8856 59.1528 29.7685 178.5082 115 R 3.8163 7.6343 118.0628 59.4249 30.1852 178.3376 116 L 3.9527 7.6540 118.2003 58.1457 41.6274 179.8495 117 S 4.2270 8.2614 114.9217 61.6522 62.6994 176.5489 118 D 4.3929 8.2356 121.6905 57.2984 40.3391 178.6833 119 I 3.7843 7.7189 119.2748 64.4772 37.4563 178.1853 120 K 4.2621 8.0644 118.9918 59.8346 31.9943 178.8717 121 Q 4.0788 8.6669 120.1439 59.4822 28.7300 179.4771 122 G 3.5647 8.1543 106.3845 48.0370 0.0000 174.9691 123 Y 4.0196 8.0437 116.0529 59.3498 37.8318 177.5137 124 T 4.3746 7.6403 116.5451 63.7256 69.7903 174.8491 125 Q 4.4211 7.7035 119.8124 56.0247 30.6811 174.3448 126 H 4.5509 7.6431 110.0336 55.7849 30.9592 173.2999 127 G 3.8617 9.2161 108.3617 44.4942 0.0000 175.5759 128 G 3.8697 8.0018 105.4820 46.0373 0.0000 173.1997 129 L 4.6146 7.1228 118.0464 52.5843 43.5653 176.4878 130 R 4.2384 8.0874 116.4039 55.1698 30.3492 174.6691 131 P 4.4970 0.0000 0.0000 61.8333 32.2877 175.9922 132 F 4.2770 8.5143 118.9050 57.4891 40.0705 177.3912 133 G 4.0286 8.9870 115.7884 45.0010 0.0000 172.7649 134 V 4.8740 7.2616 118.0005 61.4571 35.8777 175.0877 135 S 4.5788 8.4649 121.2386 56.7425 66.5487 172.9834 136 F 5.2887 8.7655 122.5029 55.6929 41.6977 174.9177 137 I 4.4704 8.4337 122.8990 59.9235 39.3769 174.0822 138 Y 5.0015 8.8512 124.8859 56.4359 39.8058 175.1443 139 A 4.6769 9.2799 125.7960 50.4062 21.8154 175.1169 140 G 4.4219 8.5459 107.8145 46.2008 0.0000 170.3391 141 Y 5.0037 8.8133 120.3535 56.0408 41.8765 173.8188 142 D 4.5386 7.2661 123.7260 51.8818 42.4576 174.5525 143 D 4.4596 8.4071 117.1173 53.6783 39.5976 176.4052 144 R 4.0887 8.5890 126.3155 56.6589 30.0326 175.4549 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 G 8.35 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 0.00 0.00 0.00 5 S 9.39 4.31 0.00 4.04 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 6 R 8.00 3.65 0.00 1.85 1.89 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 7 R 7.99 3.67 0.00 1.52 1.16 0.00 2.32 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.35 0.00 8 Y 8.37 4.47 0.00 2.94 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 9 D 7.74 4.59 0.00 2.72 2.71 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 10 S 8.72 4.12 0.00 3.92 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 11 R 8.46 3.80 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 12 T 7.81 4.11 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 1.23 0.00 0.00 13 T 7.27 4.59 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 1.22 0.00 0.00 14 I 7.09 4.58 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.00 0.93 0.00 0.00 15 F 8.45 4.64 0.00 3.09 2.86 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 0.00 0.00 0.00 16 S 8.24 4.61 0.00 3.82 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 17 P 0.00 4.50 0.00 2.09 2.18 0.00 3.75 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 2.10 2.18 0.00 18 E 8.08 4.11 0.00 1.88 1.96 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 2.28 2.35 0.00 19 G 8.36 3.62 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 0.00 0.00 0.00 20 R 8.05 4.64 0.00 1.61 1.82 0.00 3.05 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 21 L 7.94 4.75 0.00 1.58 1.49 0.84 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.29 3.61 0.00 2.85 2.46 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 0.00 23 Q 8.04 4.02 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 24 V 7.64 3.55 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 1.14 0.00 0.00 0.91 0.00 0.00 25 E 8.11 3.93 0.00 1.90 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 2.33 2.35 0.00 26 Y 8.18 4.42 0.00 2.95 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 27 A 8.74 4.03 1.42 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 0.00 0.00 28 L 8.11 3.92 0.00 1.98 1.76 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.17 3.93 0.00 2.05 2.27 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 2.38 2.46 0.00 30 S 8.09 4.31 0.00 3.99 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 31 I 7.85 3.71 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.71 0.92 0.00 0.00 32 S 8.04 4.34 0.00 3.93 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 33 H 7.83 4.73 0.00 3.28 3.33 0.00 5.64 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 34 A 8.20 4.46 1.22 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 0.00 0.00 0.00 35 G 8.51 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 0.00 0.00 0.00 36 T 8.65 4.32 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 37 A 8.47 5.18 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 38 I 9.73 4.60 1.88 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 1.17 0.82 0.92 0.00 0.00 39 G 8.76 4.42 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 0.00 0.00 0.00 40 I 8.91 4.68 1.88 0.00 0.00 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 1.12 0.73 0.92 0.00 0.00 41 M 8.83 4.80 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 42 A 8.82 4.78 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 43 S 8.65 4.32 0.00 4.00 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 44 D 8.99 4.89 0.00 2.76 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 45 G 6.92 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 46 I 7.63 5.09 1.91 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 1.27 0.77 0.95 0.00 0.00 47 V 8.98 4.52 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 1.07 0.00 0.00 0.94 0.00 0.00 48 L 8.65 5.34 0.00 1.53 1.53 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.27 4.83 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 50 A 8.47 4.82 1.17 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 0.00 0.00 51 E 9.21 4.44 0.00 2.01 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 2.24 2.27 0.00 52 R 8.59 4.16 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 53 K 8.54 4.03 0.00 1.72 1.70 0.00 2.01 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 V 8.57 3.17 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 7.93 4.72 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 56 S 7.90 4.54 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.98 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 58 L 7.59 4.09 0.00 1.63 1.73 0.92 1.11 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 59 L 7.19 3.91 0.00 1.63 1.76 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.75 4.11 0.00 1.95 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 2.29 2.35 0.00 61 Q 8.51 4.46 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 62 D 8.12 4.38 0.00 2.68 2.71 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 63 T 7.71 4.15 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 63A S 7.31 4.34 0.00 4.03 3.84 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 64 T 8.03 4.45 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 0.60 0.00 0.00 65 E 8.31 4.93 0.00 2.07 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 2.16 2.29 0.00 66 K 7.78 4.75 0.00 1.65 1.82 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 67 L 7.70 5.08 0.00 1.34 1.47 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.76 4.70 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 69 K 8.80 4.32 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 70 L 8.57 4.38 0.00 1.68 1.69 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.91 4.91 0.00 2.63 2.79 0.00 0.00 7.21 7.97 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 72 D 8.75 4.67 0.00 2.72 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 73 K 8.00 4.73 0.00 1.73 2.03 0.00 1.73 0.00 0.00 2.10 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 74 I 7.64 5.23 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.96 0.00 0.00 75 A 8.90 5.10 1.22 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 0.00 0.00 0.00 76 V 8.90 4.96 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 0.27 0.00 0.00 0.88 0.00 0.00 77 A 8.86 5.31 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 78 V 9.11 4.70 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 0.69 0.00 0.00 1.27 0.00 0.00 79 A 9.15 4.32 1.17 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 0.00 0.00 80 G 8.71 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 81 L 8.81 4.10 0.00 1.63 1.64 0.92 0.90 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 82 T 8.81 3.83 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 1.30 0.00 0.00 83 A 8.07 4.00 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 84 D 8.17 4.44 0.00 2.93 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 85 A 8.12 4.02 1.28 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 0.00 0.00 0.00 86 E 8.36 3.67 0.00 2.09 1.96 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 2.08 2.48 0.00 87 I 7.48 3.71 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.06 1.04 0.00 0.00 88 L 7.56 3.83 0.00 1.85 1.62 0.55 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.20 3.47 1.80 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.79 0.00 0.00 90 N 8.35 4.26 0.00 2.80 2.80 0.00 0.00 7.05 7.76 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 91 T 7.72 3.91 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 1.23 0.00 0.00 92 A 8.01 3.95 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 93 R 8.19 3.91 0.00 2.00 2.01 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 94 I 7.81 3.71 2.06 0.00 0.00 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 1.42 0.72 0.94 0.00 0.00 95 H 8.53 4.19 0.00 3.28 3.51 0.00 5.79 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 96 A 8.09 3.94 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 97 Q 8.00 4.04 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 98 N 8.44 4.32 0.00 2.98 2.92 0.00 0.00 6.58 7.00 0.00 0.00 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 Y 8.15 4.07 0.00 3.12 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 0.00 100 L 8.13 4.37 0.00 1.91 1.90 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.95 3.91 0.00 1.93 1.88 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 102 T 7.91 3.76 3.59 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 0.00 0.00 0.00 0.10 0.00 0.00 103 Y 7.44 4.54 0.00 2.54 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 0.00 104 N 8.42 4.36 0.00 2.85 2.89 0.00 0.00 6.73 8.52 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 0.00 105 E 7.68 4.82 0.00 2.11 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 2.35 2.53 0.00 106 D 8.69 4.54 0.00 2.71 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 0.00 107 I 8.27 2.81 1.68 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 0.92 -0.36 0.77 0.00 0.00 108 P 0.00 4.15 0.00 1.98 1.80 0.00 2.75 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 109 V 8.35 3.44 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 0.93 0.00 0.00 0.88 0.00 0.00 110 E 7.99 3.82 0.00 1.97 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 2.28 2.30 0.00 111 I 7.47 3.69 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.78 0.00 0.00 112 L 7.54 3.90 0.00 1.54 1.68 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.47 3.02 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 0.42 0.00 0.00 -0.11 0.00 0.00 114 R 8.29 3.81 0.00 1.87 1.86 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 115 R 7.63 3.82 0.00 2.06 2.09 0.00 3.12 0.00 0.00 2.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 116 L 7.65 3.95 0.00 1.73 1.79 0.76 0.92 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 0.00 117 S 8.26 4.23 0.00 4.00 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 0.00 118 D 8.24 4.39 0.00 3.00 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 0.00 119 I 7.72 3.78 2.05 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 1.58 0.64 1.00 0.00 0.00 120 K 8.06 4.26 0.00 2.10 1.97 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.60 7.81 121 Q 8.67 4.08 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 122 G 8.15 3.56 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 0.00 123 Y 8.04 4.02 0.00 3.21 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 0.00 124 T 7.64 4.37 4.49 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 1.14 0.00 0.00 125 Q 7.70 4.42 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 126 H 7.64 4.55 0.00 3.16 3.19 0.00 5.74 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 0.00 127 G 9.22 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.00 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 0.00 129 L 7.12 4.61 0.00 1.82 1.70 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.09 4.24 0.00 1.90 1.91 0.00 2.99 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 1.51 1.50 0.00 131 P 0.00 4.50 0.00 2.08 2.09 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 132 F 8.51 4.28 0.00 2.88 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 0.00 133 G 8.99 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 0.00 0.00 0.00 134 V 7.26 4.87 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 -0.29 0.00 0.00 0.85 0.00 0.00 135 S 8.46 4.58 0.00 3.67 3.62 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 0.00 136 F 8.77 5.29 0.00 2.39 1.93 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 0.00 137 I 8.43 4.47 1.88 0.00 0.00 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 1.26 0.78 0.95 0.00 0.00 138 Y 8.85 5.00 0.00 2.80 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 0.00 139 A 9.28 4.68 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 0.00 140 G 8.55 4.42 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 0.00 0.00 0.00 141 Y 8.81 5.00 0.00 2.97 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 0.00 142 D 7.27 4.54 0.00 2.59 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 0.00 143 D 8.41 4.46 0.00 2.78 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 0.00 144 R 8.59 4.09 0.00 1.65 1.83 0.00 3.22 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00