NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9997 8.3549 109.7413 45.7451 0.0000 172.8766 5 S 4.3799 8.9749 114.0024 61.0674 63.6801 175.5763 6 R 3.5623 7.8873 120.2446 59.2244 31.7058 177.2224 7 R 3.6406 8.0163 117.2730 59.3077 29.7882 176.3158 8 Y 4.4963 8.3344 112.5858 57.5916 38.0234 174.7807 9 D 4.6036 7.8332 121.0146 53.6075 41.2519 176.6770 10 S 4.1268 8.7433 123.4898 59.6574 63.4915 174.1898 11 R 3.8195 8.7441 119.8179 57.0698 26.9095 177.2487 12 T 3.7508 7.8213 107.7979 63.9123 69.5166 175.6342 13 T 4.5051 7.1534 112.8517 61.2381 69.1224 173.9126 14 I 4.3752 7.6084 113.7772 60.0831 40.3926 174.5223 15 F 4.8726 8.3600 119.6308 56.5855 40.1040 176.2393 16 S 4.5614 8.5942 119.2525 56.5836 64.0247 173.5694 17 P 4.3830 0.0000 0.0000 65.3745 31.0722 177.2779 18 E 4.2806 8.1411 115.6642 55.6640 29.5083 175.9250 19 G 3.4956 8.3636 106.9560 47.0192 0.0000 174.0617 20 R 4.6088 7.9362 116.8826 53.9004 33.3433 175.8027 21 L 4.5593 7.8967 119.6626 53.6741 42.1561 177.0556 22 Y 3.6763 7.7988 120.6919 61.4747 37.8592 178.5931 23 Q 3.9633 8.0382 117.8125 59.2041 28.9225 179.4047 24 V 3.5801 7.6334 118.5061 65.9759 31.6544 177.6922 25 E 3.9442 8.1271 118.3246 59.8590 29.3373 179.1009 26 Y 4.4903 8.0238 116.5819 60.8116 37.8585 178.1388 27 A 4.0732 8.5118 122.4029 55.0661 18.4507 179.5948 28 L 3.9346 8.1912 117.6731 58.0470 41.5157 179.3020 29 E 3.9339 8.0467 117.9366 59.2991 29.7765 178.6745 30 S 4.3165 8.2152 113.1911 61.4899 62.4899 176.0327 31 I 3.7059 8.1058 123.2327 64.4244 36.6557 178.3258 32 S 4.2062 8.0718 113.6722 60.8550 62.6957 175.1648 33 H 4.6958 7.7719 117.7105 54.8168 29.3271 174.8382 34 A 4.3360 7.5722 124.8668 50.7818 19.3277 177.6880 35 G 4.0000 8.4817 108.1171 45.6216 0.0000 173.5706 36 T 4.2303 8.4465 119.1800 63.2237 69.7799 173.2892 37 A 5.2065 8.5508 126.4878 50.2158 22.1186 175.3663 38 I 4.6440 9.5128 122.3682 59.3817 41.5766 174.7834 39 G 4.4376 8.7506 112.1400 44.5134 0.0000 171.8433 40 I 4.6841 8.8502 126.0285 59.6732 40.7389 174.0390 41 M 4.6363 8.8325 127.0435 54.3395 33.2572 175.1935 42 A 4.8244 8.5168 131.3499 50.8137 21.7394 175.6249 43 S 4.4510 8.6212 109.2466 59.8722 63.8129 174.6683 44 D 4.8481 8.8311 118.1298 51.2449 39.5441 175.9155 45 G 3.9984 6.7937 107.9961 46.2545 0.0000 171.1494 46 I 5.0628 7.7633 118.5368 59.4033 41.0610 175.4232 47 V 4.4896 8.8244 125.0538 61.0512 34.3815 174.1618 48 L 5.2973 8.6092 126.3302 52.9522 44.4469 175.6794 49 A 4.8869 9.2942 124.8155 50.3171 22.7674 174.5391 50 A 4.9629 8.4398 120.6595 50.5443 22.7279 175.0321 51 E 4.5086 9.0157 122.0866 54.3066 31.5671 175.6706 52 R 4.0626 8.5698 126.8109 55.9295 30.6732 176.0625 53 K 4.0565 8.5799 124.6250 56.4751 33.1029 173.5481 54 V 3.1404 8.5814 129.4687 63.0367 31.6396 171.5047 55 T 4.7116 8.0960 114.6798 60.5678 71.9554 172.0290 56 S 4.6629 8.0414 114.5561 56.8542 65.6501 174.6153 57 T 3.9136 8.4760 119.5324 66.2855 68.1802 175.7113 58 L 4.2950 7.5471 118.4194 54.8350 42.1963 176.7069 59 L 3.8670 7.3246 122.0528 54.8232 42.1398 176.2804 60 E 4.1379 8.6082 127.3461 55.7999 28.8265 175.6318 61 Q 4.1212 8.5119 128.7822 58.6993 29.7894 177.7158 62 D 4.3561 8.3242 116.9916 57.6893 40.7964 177.4311 63 T 4.3566 7.7617 111.5673 63.3576 68.7120 174.5265 63A S 4.5895 7.5813 116.6174 57.8203 63.5168 173.8405 64 T 4.2473 7.9700 119.1194 63.0313 71.8676 173.4153 65 E 5.1211 8.4120 120.3469 55.7614 32.8681 175.6062 66 K 4.7006 7.8985 116.5359 55.6187 35.6974 175.4717 67 L 5.1368 7.6928 119.1575 53.0370 43.7925 175.6622 68 Y 4.7608 8.8589 121.3165 55.8571 42.1069 174.8751 69 K 4.4483 8.8019 124.4151 55.7191 33.0890 176.1448 70 L 4.3334 8.6319 126.3072 56.4002 42.5659 175.4514 71 N 4.9638 7.8981 113.8418 52.6365 41.7422 172.9085 72 D 4.7435 8.6856 115.9608 55.0005 41.5798 176.8554 73 K 4.7212 7.8927 116.7518 55.5913 35.1234 175.5954 74 I 5.2356 7.7706 120.3746 59.5216 41.0294 174.2346 75 A 5.1291 8.8663 125.7805 50.9019 23.3672 175.2747 76 V 4.9672 8.9950 111.2463 59.6156 36.5956 174.5859 77 A 5.3014 9.0978 124.9326 50.3282 21.3437 175.7359 78 V 4.6912 9.0973 122.7822 61.1598 34.0527 175.4559 79 A 4.2986 9.0779 127.8583 53.1110 21.3839 173.8746 80 G 3.6800 8.5380 113.2926 45.4085 0.0000 172.9124 81 L 4.1501 8.6861 126.7321 54.6475 41.8046 177.7306 82 T 3.8295 8.8479 121.4258 66.7449 68.3210 176.1344 83 A 3.9945 8.0382 121.8914 55.4593 18.2377 179.2566 84 D 4.4210 8.1134 116.5229 57.4772 40.9725 178.6648 85 A 3.9991 8.1405 121.4667 55.2089 18.2800 179.5393 86 E 3.7531 8.4445 117.3939 59.3750 29.3460 179.4755 87 I 3.6995 7.5394 119.7911 64.5923 37.1722 178.5000 88 L 3.8401 7.6043 119.5120 57.6852 41.3860 179.5900 89 I 3.5274 8.1268 120.2387 64.3160 37.1252 178.0119 90 N 4.3059 8.3257 118.2261 56.8759 38.7313 177.0571 91 T 3.8875 7.7515 111.0220 64.5297 68.8672 176.2389 92 A 3.9412 8.1808 123.9634 55.2787 18.5280 179.8642 93 R 3.9315 8.3866 116.6893 59.3406 29.9353 179.5226 94 I 3.8010 7.6198 119.5352 64.5334 37.2204 177.7103 95 H 4.2102 8.5679 119.1327 59.1260 29.5090 177.1104 96 A 3.9463 7.9552 122.2805 55.4411 18.2408 179.6117 97 Q 3.9771 7.9542 115.9301 59.0720 28.7136 178.9535 98 N 4.2941 8.5447 117.8219 56.4600 38.5716 176.5473 99 Y 3.9726 8.0766 120.7804 60.8471 38.8954 178.0167 100 L 4.4011 8.2888 122.5593 57.6251 41.9328 178.8136 101 K 4.0214 8.0679 118.7164 59.1656 32.1586 178.7392 102 T 3.8116 7.5515 115.6165 65.7767 68.6093 175.6631 103 Y 4.4913 7.4494 114.9888 56.3767 39.3920 175.2194 104 N 4.4001 8.2302 116.3240 53.6530 36.8817 173.9265 105 E 4.8383 7.7383 114.3841 54.7891 33.9882 175.1823 106 D 4.6304 8.5630 121.7584 54.1005 41.6171 176.1638 107 I 2.9312 8.0704 122.4487 59.6014 38.6802 174.6866 108 P 4.1912 0.0000 0.0000 62.3053 32.9456 177.3190 109 V 3.4847 8.2487 121.8098 66.4345 31.3679 178.2924 110 E 3.7815 7.9504 118.1526 59.1325 29.6437 178.4528 111 I 3.5632 7.5550 119.4729 64.3603 37.2781 177.9661 112 L 3.9641 7.4685 121.1814 58.0553 41.9050 179.2072 113 V 3.0228 7.4038 118.3069 65.6534 31.2956 178.0187 114 R 3.8141 8.5274 118.9918 59.1674 29.8875 178.3768 115 R 3.8078 7.7817 118.1263 59.4978 30.1647 178.3806 116 L 3.9564 7.6875 118.1308 58.1111 41.5819 179.8568 117 S 4.2353 8.2116 114.8842 61.7063 62.7169 176.5634 118 D 4.3800 8.2811 121.8348 57.1424 40.2777 178.8181 119 I 3.7825 7.5286 119.6208 64.3551 37.3190 178.1906 120 K 4.2268 8.0666 119.2137 59.7505 31.9649 179.0696 121 Q 4.1167 8.5723 120.1083 59.1209 28.8543 178.7230 122 G 3.6555 8.1174 106.7205 48.0276 0.0000 174.9003 123 Y 4.0115 7.9324 116.5306 59.5390 37.8501 177.5582 124 T 4.2934 7.7377 116.4500 64.1962 69.3970 175.0265 125 Q 4.3970 7.4786 119.5012 56.0861 30.5243 174.4376 126 H 4.5272 7.5880 109.8407 55.9455 30.3888 173.2537 127 G 3.8506 9.4297 108.6476 44.6138 0.0000 175.4568 128 G 4.2478 8.0525 105.8130 46.1828 0.0000 173.0730 129 L 4.7263 6.9521 118.3154 52.1070 43.9664 176.7870 130 R 4.1430 8.1465 116.8412 55.4342 30.1406 174.7047 131 P 4.5588 0.0000 0.0000 61.9404 32.2890 175.8618 132 F 4.4148 8.5668 118.7917 57.2245 40.0163 177.6485 133 G 4.0469 8.8446 115.7933 45.0741 0.0000 172.5678 134 V 4.9089 7.2982 118.6280 61.6187 35.8631 174.6866 135 S 4.6529 8.6171 121.5262 56.7346 66.4913 173.0398 136 F 5.3246 8.8261 122.1761 55.7025 41.9518 174.9868 137 I 4.5342 8.4192 122.2924 59.9461 39.7638 174.0391 138 Y 5.0631 8.9417 124.9628 56.4147 39.7209 175.1276 139 A 4.6951 9.2559 126.1487 50.3759 21.7252 175.1433 140 G 4.8765 8.5199 107.9621 45.9583 0.0000 170.4069 141 Y 5.0185 8.4002 119.8032 55.9541 41.7628 173.8702 142 D 4.6408 7.4134 123.6073 51.8656 42.3558 174.6290 143 D 4.5169 8.4960 117.7912 53.6653 39.2362 176.3527 144 R 4.0880 8.5438 126.2152 56.8827 30.1639 175.1798 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.38 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 7.89 3.56 0.00 1.85 1.88 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 1.67 0.00 7 R 8.02 3.64 0.00 1.50 1.12 0.00 2.21 0.00 0.00 2.91 7.30 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 8.33 4.50 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 7.83 4.60 0.00 2.71 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 8.74 4.13 0.00 3.91 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 8.74 3.82 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.21 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 7.82 3.75 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 1.22 0.00 0.00 13 T 7.15 4.51 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 1.19 0.00 0.00 14 I 7.61 4.38 1.95 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 1.64 1.09 0.93 0.00 0.00 15 F 8.36 4.87 0.00 3.10 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 16 S 8.59 4.56 0.00 3.74 2.81 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 17 P 0.00 4.38 0.00 2.09 2.19 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 2.19 0.00 18 E 8.14 4.28 0.00 1.87 1.92 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 2.26 2.34 0.00 19 G 8.36 3.50 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 0.00 20 R 7.94 4.61 0.00 1.64 1.67 0.00 3.04 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 21 L 7.90 4.56 0.00 1.59 1.50 0.85 0.22 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 22 Y 7.80 3.68 0.00 2.86 2.56 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 23 Q 8.04 3.96 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 24 V 7.63 3.58 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 1.15 0.00 0.00 0.92 0.00 0.00 25 E 8.13 3.94 0.00 1.89 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 2.40 2.36 0.00 26 Y 8.02 4.49 0.00 3.02 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 27 A 8.51 4.07 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 28 L 8.19 3.93 0.00 1.95 1.75 0.93 0.79 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 29 E 8.05 3.93 0.00 2.06 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 2.38 2.46 0.00 30 S 8.22 4.32 0.00 3.99 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 31 I 8.11 3.71 1.99 0.00 0.00 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 1.76 0.74 0.94 0.00 0.00 32 S 8.07 4.21 0.00 3.94 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 33 H 7.77 4.70 0.00 3.28 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.57 4.34 1.24 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 0.00 0.00 35 G 8.48 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 36 T 8.45 4.23 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 8.55 5.21 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 9.51 4.64 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 1.17 1.05 0.92 0.00 0.00 39 G 8.75 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 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 0.83 0.92 0.00 0.00 41 M 8.83 4.64 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 42 A 8.52 4.82 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 43 S 8.62 4.45 0.00 4.00 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 44 D 8.83 4.85 0.00 2.77 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 45 G 6.79 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 46 I 7.76 5.06 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.94 0.00 0.00 47 V 8.82 4.49 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 8.61 5.30 0.00 1.52 1.53 0.94 0.76 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 9.29 4.89 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 8.44 4.96 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 9.02 4.51 0.00 2.03 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 2.22 2.26 0.00 52 R 8.57 4.06 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 53 K 8.58 4.06 0.00 1.72 1.70 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 V 8.58 3.14 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 8.10 4.71 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 8.04 4.66 0.00 3.81 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 8.48 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 1.21 0.00 0.00 58 L 7.55 4.30 0.00 1.65 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.32 3.87 0.00 1.54 1.67 0.92 1.37 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 60 E 8.61 4.14 0.00 1.95 1.89 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 2.29 2.35 0.00 61 Q 8.51 4.12 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 62 D 8.32 4.36 0.00 2.68 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 63 T 7.76 4.36 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 7.58 4.59 0.00 4.05 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 64 T 7.97 4.25 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 0.55 0.00 0.00 65 E 8.41 5.12 0.00 2.07 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 2.16 2.28 0.00 66 K 7.90 4.70 0.00 1.65 1.83 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.69 5.14 0.00 1.33 1.46 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.86 4.76 0.00 2.87 2.81 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 69 K 8.80 4.45 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.46 7.81 70 L 8.63 4.33 0.00 1.82 1.69 0.89 0.89 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 7.90 4.96 0.00 2.64 2.79 0.00 0.00 7.25 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 72 D 8.69 4.74 0.00 2.72 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 73 K 7.89 4.72 0.00 1.72 2.04 0.00 1.68 0.00 0.00 2.12 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 I 7.77 5.24 1.89 0.00 0.00 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 1.29 1.09 0.97 0.00 0.00 75 A 8.87 5.13 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 9.00 4.97 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 0.33 0.00 0.00 0.94 0.00 0.00 77 A 9.10 5.30 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 78 V 9.10 4.69 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 0.65 0.00 0.00 1.21 0.00 0.00 79 A 9.08 4.30 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 8.54 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 0.00 0.00 0.00 81 L 8.69 4.15 0.00 1.64 1.63 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.85 3.83 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 1.32 0.00 0.00 83 A 8.04 3.99 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 8.11 4.42 0.00 2.94 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 85 A 8.14 4.00 1.27 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 0.00 0.00 86 E 8.44 3.75 0.00 2.10 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 2.01 2.43 0.00 87 I 7.54 3.70 2.17 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 1.65 1.26 1.03 0.00 0.00 88 L 7.60 3.84 0.00 1.84 1.63 0.57 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.13 3.53 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.80 0.00 0.00 90 N 8.33 4.31 0.00 2.81 2.79 0.00 0.00 7.00 7.19 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 91 T 7.75 3.89 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 1.25 0.00 0.00 92 A 8.18 3.94 1.35 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 0.00 0.00 93 R 8.39 3.93 0.00 1.97 2.01 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 94 I 7.62 3.80 2.07 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 1.42 0.61 0.94 0.00 0.00 95 H 8.57 4.21 0.00 3.22 3.46 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 7.96 3.95 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 97 Q 7.95 3.98 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 98 N 8.54 4.29 0.00 2.97 2.90 0.00 0.00 6.61 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 99 Y 8.08 3.97 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.40 0.00 1.89 1.90 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.07 4.02 0.00 1.85 1.89 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.55 3.81 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 0.06 0.00 0.00 103 Y 7.45 4.49 0.00 2.55 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 0.00 104 N 8.23 4.40 0.00 2.89 2.91 0.00 0.00 6.73 7.18 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 0.00 105 E 7.74 4.84 0.00 2.14 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 2.36 2.55 0.00 106 D 8.56 4.63 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 8.07 2.93 1.58 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 0.90 -0.36 0.77 0.00 0.00 108 P 0.00 4.19 0.00 1.98 1.81 0.00 2.86 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 1.93 2.01 0.00 109 V 8.25 3.48 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 0.89 0.00 0.00 110 E 7.95 3.78 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 2.29 0.00 111 I 7.55 3.56 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.84 0.00 0.00 112 L 7.47 3.96 0.00 1.53 1.69 0.88 0.81 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 0.00 113 V 7.40 3.02 1.83 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 0.34 0.00 0.00 -0.05 0.00 0.00 114 R 8.53 3.81 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 115 R 7.78 3.81 0.00 2.03 2.06 0.00 3.14 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.61 0.00 116 L 7.69 3.96 0.00 1.74 1.75 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.21 4.24 0.00 4.03 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 8.28 4.38 0.00 3.00 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 0.00 119 I 7.53 3.78 1.99 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 1.56 0.67 0.97 0.00 0.00 120 K 8.07 4.23 0.00 2.06 1.95 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.49 7.81 121 Q 8.57 4.12 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 122 G 8.12 3.66 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 0.00 0.00 0.00 123 Y 7.93 4.01 0.00 3.17 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 0.00 124 T 7.74 4.29 4.50 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 1.15 0.00 0.00 125 Q 7.48 4.40 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 126 H 7.59 4.53 0.00 3.16 3.19 0.00 5.75 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 9.43 3.85 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 0.00 128 G 8.05 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 0.00 0.00 0.00 0.00 129 L 6.95 4.73 0.00 1.46 1.61 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.15 4.14 0.00 1.91 1.93 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 131 P 0.00 4.56 0.00 2.10 2.10 0.00 3.68 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 2.04 2.14 0.00 132 F 8.57 4.41 0.00 2.86 2.88 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 0.00 133 G 8.84 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 0.00 134 V 7.30 4.91 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 -0.20 0.00 0.00 0.82 0.00 0.00 135 S 8.62 4.65 0.00 3.68 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 0.00 136 F 8.83 5.32 0.00 2.57 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 0.00 0.00 0.00 137 I 8.42 4.53 1.89 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 1.27 0.72 0.96 0.00 0.00 138 Y 8.94 5.06 0.00 2.77 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 0.00 139 A 9.26 4.70 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 8.52 4.88 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 0.00 141 Y 8.40 5.02 0.00 2.97 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 0.00 142 D 7.41 4.64 0.00 2.62 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.52 0.00 2.82 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 0.00 144 R 8.54 4.09 0.00 1.62 1.82 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00