NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2898 8.2644 123.5808 52.4373 19.3091 175.4645 3 R 4.1971 8.5222 121.6322 58.4359 31.4834 176.0088 4 R 4.0577 8.8839 116.2902 58.7654 30.8334 176.1038 5 R 4.7587 7.4510 114.1177 54.2130 34.2704 176.0049 6 R 3.5597 8.5657 116.6504 56.8850 30.2516 173.4221 7 A 3.6691 7.4267 128.4617 51.0277 19.4215 177.3024 8 E 4.0941 8.6376 121.7364 56.2954 30.2605 176.5184 9 V 4.0945 8.0179 121.2467 61.1345 32.4784 176.0650 10 R 3.8874 8.6250 125.9226 57.1500 30.3886 175.6860 11 Q 4.5218 8.5461 121.2238 54.3365 30.3418 175.3697 12 L 4.5743 8.2208 122.0846 53.2884 43.8382 175.6631 13 Q 4.4019 8.2919 119.4336 53.7153 29.4440 174.4816 14 P 4.3974 0.0000 0.0000 62.5470 31.8697 175.2847 15 D 4.6292 8.3826 117.6812 54.0438 41.7772 177.1734 16 L 4.0592 8.5183 125.0317 57.3848 41.8370 177.8581 17 V 3.4809 7.6036 117.9945 64.9525 31.4986 176.6320 18 Y 4.1209 7.4520 118.9263 61.0618 38.5353 177.6274 19 G 4.5588 8.7173 104.8848 44.7026 0.0000 172.1132 20 D 4.8397 8.0431 119.7027 52.7336 42.5010 177.7354 21 V 3.7448 8.4301 119.6561 64.1577 31.4874 178.1325 22 L 3.9858 8.1119 120.0436 58.4262 41.7042 178.7583 23 V 3.3854 7.7781 117.5308 66.4062 31.5012 177.8091 24 T 3.7860 8.0698 114.4538 66.7760 68.0700 176.1965 25 A 3.9610 8.1408 121.8250 55.0723 18.6983 179.0208 26 F 4.4061 8.3789 119.1982 61.6638 39.3979 176.9902 27 I 3.2505 7.5239 119.3134 64.5982 36.6826 177.7079 28 N 4.1343 7.9869 116.8610 56.7439 38.2051 177.5422 29 K 3.7728 7.8445 118.3299 59.2161 32.0839 179.3427 30 I 3.7395 7.3321 119.8302 63.1608 37.3388 176.4871 31 M 3.7408 6.5620 117.5724 56.0438 32.4257 175.5009 32 R 4.6314 8.2826 120.9388 54.7875 32.4700 174.5775 33 D 4.4547 9.6442 115.3385 55.1777 38.5485 174.4546 34 G 3.9585 8.2273 102.9138 46.5973 0.0000 176.5271 35 K 4.3050 7.9431 121.4060 55.0482 28.7714 177.5596 36 K 4.0375 7.7215 122.1948 58.8170 32.9193 177.2143 37 N 4.4111 8.0674 117.1953 56.1340 38.9075 176.5564 38 L 3.9752 7.6950 121.3093 58.1553 42.3540 178.6104 39 A 3.9857 7.8681 119.8219 54.6351 18.2444 179.4954 40 A 3.7230 7.7318 119.2512 55.3278 18.5251 179.6884 41 R 3.9853 7.5409 115.4774 59.8214 30.2051 178.9977 42 I 3.6276 7.5698 119.2164 64.6680 37.1537 177.7508 43 F 4.2162 7.7902 120.9921 61.6609 39.1239 176.8720 44 Y 4.3093 7.2516 115.5353 61.4545 37.6563 178.3700 45 D 4.4967 8.8900 119.6219 57.0076 40.6299 178.6151 46 A 4.0530 8.1570 121.2048 54.7525 18.5532 179.3477 47 C 4.0649 7.8025 115.6265 63.0647 28.3850 176.2086 48 K 3.8663 8.3933 120.3475 59.7380 31.4941 179.3688 49 I 3.8350 7.4790 120.1138 64.1469 36.9416 178.4499 50 I 3.7515 7.8960 121.1306 64.0677 36.6561 178.4383 51 Q 3.9712 7.9065 117.7280 59.1960 28.8055 177.6435 52 E 4.0940 7.8914 117.8200 59.0816 29.5777 178.3710 53 K 4.3583 8.0988 115.6476 57.1868 32.7231 176.8418 54 T 4.6224 7.9225 115.2730 62.1161 73.1001 174.9124 55 G 3.9826 8.4584 115.8349 43.9536 0.0000 172.9154 56 Q 4.5797 7.1509 115.5774 53.3932 33.7231 175.5201 57 E 4.1494 8.7218 121.0616 55.6041 30.3926 176.3112 58 P 4.2385 0.0000 0.0000 65.8678 30.6278 178.0245 59 L 3.6358 7.8960 119.4548 57.8688 41.9041 178.7896 60 K 3.9271 7.9737 118.6641 59.6251 32.3965 178.3618 61 V 3.5686 7.5897 118.1518 66.2374 31.2805 177.5730 62 F 4.2481 8.4958 120.1275 61.3373 39.2585 177.0371 63 K 3.5615 7.6813 117.2354 59.6508 31.7972 179.1767 64 Q 3.9468 8.0623 119.2440 58.9241 28.6179 178.3072 65 A 3.9357 7.5771 121.1691 54.9937 18.6681 179.4190 66 V 3.4431 7.4978 116.7249 66.2229 31.3866 177.7553 67 E 3.7999 8.3466 118.7599 59.3780 29.6180 178.0637 68 N 4.5202 7.7301 114.5710 54.7297 38.8948 175.9284 69 V 4.0022 7.8575 116.4258 62.6597 32.1666 175.3907 70 K 4.0692 7.9856 118.1582 56.4512 31.2161 174.4686 71 P 4.4731 0.0000 0.0000 62.7226 32.0181 176.6332 72 R 4.5474 8.5684 116.7418 56.6928 30.8804 175.3584 73 M 5.1772 7.7813 118.6602 54.1065 36.1902 173.8555 74 E 4.7778 8.7496 118.8848 55.6882 33.6539 173.9220 75 V 4.7709 8.2195 119.8076 62.1156 33.5209 176.1812 76 R 4.4506 8.6018 124.1672 55.1997 33.1858 174.2396 77 S 4.2260 8.5621 118.8784 59.0219 63.4935 173.7162 78 R 4.3539 8.2456 122.9072 55.5522 33.7529 174.7105 79 R 4.9524 8.5426 126.4419 54.5869 28.6732 174.1747 80 V 3.9293 7.6890 119.2758 64.1887 33.1141 175.1805 81 G 3.9269 8.9486 115.4874 45.0589 0.0000 172.5674 82 G 3.6915 8.9637 105.7572 45.4853 0.0000 173.1884 83 A 4.4247 7.1832 118.4732 50.0744 23.1789 176.3699 84 N 4.7840 8.4901 117.2697 52.5473 38.5278 174.3265 85 Y 4.9793 8.6118 123.3974 56.0849 39.7827 175.5266 86 Q 4.2978 9.1765 124.4598 56.4228 29.2982 176.3045 87 V 4.4445 8.2668 125.3962 60.5904 32.7509 173.6388 88 P 4.9087 0.0000 0.0000 63.3756 32.2183 175.5700 89 M 4.8413 9.4048 118.5259 53.8075 35.0604 173.6534 90 E 4.2034 8.8347 121.0815 56.6933 30.0249 176.8991 91 V 3.9512 7.8758 125.7991 62.5220 32.5553 176.3089 92 S 4.4877 8.6353 121.8073 56.8458 64.5892 173.1381 93 P 4.2786 0.0000 0.0000 66.3330 30.7543 178.1888 94 R 3.8424 8.2915 119.1173 59.0874 29.9638 178.1684 95 R 3.9596 7.6153 115.9751 59.0255 29.9149 177.8853 96 Q 4.0229 8.0474 118.3969 58.4881 28.6243 177.5952 97 Q 3.9059 8.0549 119.7507 59.8628 29.0158 179.7277 98 S 4.1018 7.7617 115.2306 61.5894 62.9556 176.6686 99 L 3.4929 7.5999 120.9881 58.0071 41.1751 178.4057 100 A 4.2020 8.6127 121.5719 53.8046 18.1057 179.2934 101 L 4.0246 7.9987 115.3061 57.6585 42.1840 179.9014 102 R 3.8678 7.7499 117.7064 59.5702 29.9197 178.5338 103 W 4.5609 8.1485 118.4530 59.6684 28.9491 178.3097 104 L 4.1132 8.6167 119.5418 58.2724 41.2217 179.6339 105 V 3.7279 8.1768 117.9242 65.9720 31.3451 177.7080 106 Q 4.0317 8.5922 117.7881 59.2878 28.8887 179.5897 107 A 4.1421 8.5547 121.3760 55.1279 18.5295 179.0428 108 A 4.0187 8.1866 119.3860 55.8544 18.2906 179.3845 109 N 4.5092 8.0102 111.7352 55.0300 38.6728 176.3161 110 Q 4.4660 7.8409 118.9956 54.8690 29.5324 175.9376 111 R 4.2212 7.7512 121.2351 55.2031 30.7163 175.9217 112 P 4.3107 0.0000 0.0000 64.6306 31.7863 176.8830 113 E 4.0867 7.2559 119.2449 56.2745 29.5220 176.0595 114 R 3.9670 7.9195 120.8753 58.1563 30.6960 177.8791 115 R 3.9750 8.1320 115.4876 56.3856 31.9724 176.4833 116 A 3.9449 8.8531 126.0666 55.7019 18.3107 179.1868 117 A 3.9768 8.1555 118.0536 55.5024 18.2237 179.7326 118 V 3.5687 7.7937 115.8405 66.4380 31.7189 177.9999 119 R 3.9586 7.9411 117.5214 59.6082 29.9290 179.1529 120 I 3.8039 7.9243 118.9084 64.3437 37.0747 177.8788 121 A 4.0096 8.2041 121.8068 55.9904 18.0925 179.4910 122 H 4.0577 8.5493 114.2004 58.9891 28.2800 177.7812 123 E 3.9827 8.3883 121.1328 59.2680 29.5960 178.8711 124 L 4.1413 8.6704 119.3353 57.4217 41.5759 179.1242 125 M 4.1709 7.6642 119.0366 58.1655 32.3814 178.2612 126 D 4.4805 8.3505 118.5852 56.8129 40.9679 179.0387 127 A 3.9258 7.6946 120.6750 55.1101 18.4667 179.5066 128 A 4.2788 7.4531 116.1878 54.3723 18.4970 178.5230 129 E 4.3599 7.9991 115.5525 55.3466 30.2626 175.9894 130 G 3.9027 9.0719 107.4222 45.8550 0.0000 173.5683 131 K 4.1980 8.5355 121.0571 57.4153 35.5656 174.4674 132 G 4.1041 8.8933 106.1699 47.1544 0.0000 175.0586 133 G 3.9740 8.1767 104.9618 44.7134 0.0000 174.3410 134 A 4.1124 8.1577 122.7100 55.5637 18.3894 179.7524 135 V 3.5940 7.3270 115.8757 65.4590 31.5366 178.1966 136 K 3.9300 7.7241 119.3728 59.2028 31.9848 178.3064 137 K 3.7904 8.4201 117.4367 57.3924 31.9411 178.4399 138 K 3.8740 6.8998 120.6934 58.8502 32.6608 178.2984 139 E 3.9446 8.3855 119.0447 59.1423 29.0372 179.0132 140 D 4.2329 7.8232 117.7961 57.1323 41.7019 178.0659 141 V 3.7252 7.5043 118.2691 66.1916 31.5982 177.7721 142 E 4.1080 7.9578 118.2669 59.1681 28.9354 179.1584 143 R 4.4721 7.6461 114.4274 57.0386 30.1569 177.1107 144 M 4.5629 8.2561 119.3598 55.8316 34.2899 176.6765 145 A 3.9393 7.2036 120.2825 55.3843 18.8217 177.3256 146 E 4.3966 7.9093 112.6666 56.0705 29.9946 177.5979 147 A 4.2589 7.8007 124.0298 54.0075 19.3862 178.8047 148 N 4.8149 7.8313 112.3576 53.0178 38.9448 176.2070 149 R 3.9616 7.9673 115.5393 57.5464 29.8929 177.4478 150 A 4.0949 7.6420 119.3492 54.4679 18.2996 177.9168 151 Y 4.6874 7.4361 110.9561 57.4723 39.7608 176.5464 152 A 4.4585 7.4243 123.3736 52.0077 16.0300 177.9373 153 H 4.8499 7.0435 111.5582 54.9195 29.7368 174.1425 154 Y 4.5815 7.8689 123.2904 59.1558 38.4230 175.5267 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 2 A 8.26 4.29 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 3 R 8.52 4.20 0.00 1.84 1.93 0.00 3.24 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 4 R 8.88 4.06 0.00 1.84 1.97 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 R 7.45 4.76 0.00 1.80 1.77 0.00 3.12 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 6 R 8.57 3.56 0.00 1.80 1.98 0.00 3.35 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 7 A 7.43 3.67 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 8 E 8.64 4.09 0.00 1.97 1.90 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 2.31 2.24 0.00 9 V 8.02 4.09 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 0.80 0.00 0.00 0.92 0.00 0.00 10 R 8.63 3.89 0.00 1.83 1.89 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 11 Q 8.55 4.52 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 12 L 8.22 4.57 0.00 1.62 1.60 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.29 4.40 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 14 P 0.00 4.40 0.00 2.24 2.14 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 15 D 8.38 4.63 0.00 2.95 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 16 L 8.52 4.06 0.00 1.69 1.71 0.95 0.98 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 17 V 7.60 3.48 2.30 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 -0.21 0.00 0.00 0.40 0.00 0.00 18 Y 7.45 4.12 0.00 3.16 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 19 G 8.72 4.56 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 20 D 8.04 4.84 0.00 2.83 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 21 V 8.43 3.74 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 0.82 0.00 0.00 0.96 0.00 0.00 22 L 8.11 3.99 0.00 1.79 2.02 0.88 0.76 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 23 V 7.78 3.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 24 T 8.07 3.79 4.38 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 1.27 0.00 0.00 25 A 8.14 3.96 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 26 F 8.38 4.41 0.00 3.37 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 27 I 7.52 3.25 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.39 0.77 0.00 0.00 28 N 7.99 4.13 0.00 2.91 2.84 0.00 0.00 7.11 7.08 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 29 K 7.84 3.77 0.00 1.70 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.64 7.81 30 I 7.33 3.74 1.72 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.07 0.81 0.00 0.00 31 M 6.56 3.74 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 32 R 8.28 4.63 0.00 1.96 1.95 0.00 3.15 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 33 D 9.64 4.45 0.00 2.76 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 34 G 8.23 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 0.00 0.00 0.00 35 K 7.94 4.30 0.00 1.78 1.76 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 36 K 7.72 4.04 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.45 7.81 37 N 8.07 4.41 0.00 2.81 2.80 0.00 0.00 6.88 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 38 L 7.70 3.98 0.00 1.79 1.81 0.92 1.16 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 39 A 7.87 3.99 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 40 A 7.73 3.72 1.49 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 0.00 0.00 41 R 7.54 3.99 0.00 2.22 2.05 0.00 3.20 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 42 I 7.57 3.63 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.95 0.00 0.00 43 F 7.79 4.22 0.00 2.79 2.69 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 44 Y 7.25 4.31 0.00 3.28 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 45 D 8.89 4.50 0.00 2.67 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 46 A 8.16 4.05 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.80 4.06 0.00 3.20 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 48 K 8.39 3.87 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.66 7.81 49 I 7.48 3.83 2.03 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 1.54 0.88 0.91 0.00 0.00 50 I 7.90 3.75 2.03 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 1.50 0.68 0.90 0.00 0.00 51 Q 7.91 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 52 E 7.89 4.09 0.00 1.99 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 2.35 2.28 0.00 53 K 8.10 4.36 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 54 T 7.92 4.62 4.38 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 1.25 0.00 0.00 55 G 8.46 3.98 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 0.00 0.00 0.00 56 Q 7.15 4.58 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 57 E 8.72 4.15 0.00 2.04 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 2.44 2.39 0.00 58 P 0.00 4.24 0.00 2.12 2.28 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 59 L 7.90 3.64 0.00 1.57 1.73 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.97 3.93 0.00 1.88 1.95 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.50 7.81 61 V 7.59 3.57 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 0.95 0.00 0.00 1.00 0.00 0.00 62 F 8.50 4.25 0.00 3.18 3.23 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 63 K 7.68 3.56 0.00 1.94 1.77 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.64 7.81 64 Q 8.06 3.95 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 65 A 7.58 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.50 3.44 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 0.89 0.00 0.00 0.23 0.00 0.00 67 E 8.35 3.80 0.00 2.06 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 0.00 2.30 2.35 0.00 68 N 7.73 4.52 0.00 2.93 2.84 0.00 0.00 6.90 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 69 V 7.86 4.00 2.15 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 0.94 0.00 0.00 1.00 0.00 0.00 70 K 7.99 4.07 0.00 1.80 1.82 0.00 1.89 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.60 7.81 71 P 0.00 4.47 0.00 2.31 2.21 0.00 3.92 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 72 R 8.57 4.55 0.00 1.92 2.21 0.00 2.91 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 73 M 7.78 5.18 0.00 1.88 1.96 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 2.50 2.48 0.00 74 E 8.75 4.78 0.00 2.06 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 0.00 2.39 2.30 0.00 75 V 8.22 4.77 2.14 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 0.90 0.00 0.00 0.99 0.00 0.00 76 R 8.60 4.45 0.00 1.78 1.84 0.00 3.24 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 77 S 8.56 4.23 0.00 3.91 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 78 R 8.25 4.35 0.00 1.89 1.80 0.00 3.09 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 79 R 8.54 4.95 0.00 1.65 1.77 0.00 3.31 0.00 0.00 3.81 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 80 V 7.69 3.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.58 0.00 0.00 81 G 8.95 3.93 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 0.00 0.00 0.00 82 G 8.96 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 0.00 0.00 0.00 83 A 7.18 4.42 0.63 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 0.00 0.00 84 N 8.49 4.78 0.00 2.60 2.82 0.00 0.00 6.86 7.46 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 85 Y 8.61 4.98 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 9.18 4.30 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 87 V 8.27 4.44 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 1.12 0.00 0.00 1.23 0.00 0.00 88 P 0.00 4.91 0.00 2.14 2.21 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 89 M 9.40 4.84 0.00 2.07 2.18 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 2.52 2.68 0.00 90 E 8.83 4.20 0.00 1.89 1.99 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 2.33 2.33 0.00 91 V 7.88 3.95 2.10 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 0.80 0.00 0.00 1.05 0.00 0.00 92 S 8.64 4.49 0.00 4.04 3.98 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 93 P 0.00 4.28 0.00 2.23 2.36 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 94 R 8.29 3.84 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 95 R 7.62 3.96 0.00 1.95 1.89 0.00 3.11 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 96 Q 8.05 4.02 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.44 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 97 Q 8.05 3.91 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 98 S 7.76 4.10 0.00 3.83 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 99 L 7.60 3.49 0.00 1.78 1.12 0.79 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.61 4.20 1.32 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 0.00 0.00 0.00 101 L 8.00 4.02 0.00 1.74 2.02 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.75 3.87 0.00 1.79 1.81 0.00 2.77 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 103 W 8.15 4.56 0.00 3.73 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 0.00 104 L 8.62 4.11 0.00 2.16 1.90 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.18 3.73 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 106 Q 8.59 4.03 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 107 A 8.55 4.14 1.47 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 0.00 0.00 108 A 8.19 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.01 4.51 0.00 2.77 2.91 0.00 0.00 7.11 7.62 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 0.00 110 Q 7.84 4.47 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 111 R 7.75 4.22 0.00 1.89 1.85 0.00 3.17 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 112 P 0.00 4.31 0.00 2.17 2.17 0.00 3.77 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 1.97 1.98 0.00 113 E 7.26 4.09 0.00 1.99 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 2.31 2.26 0.00 114 R 7.92 3.97 0.00 1.80 1.80 0.00 3.38 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 115 R 8.13 3.97 0.00 1.86 1.88 0.00 3.16 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 116 A 8.85 3.94 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 0.00 117 A 8.16 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.79 3.57 2.30 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 1.19 0.00 0.00 0.96 0.00 0.00 119 R 7.94 3.96 0.00 2.13 2.21 0.00 3.37 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 120 I 7.92 3.80 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.05 1.27 0.00 0.00 121 A 8.20 4.01 1.47 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 0.00 0.00 122 H 8.55 4.06 0.00 3.22 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.39 3.98 0.00 2.32 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 0.00 2.58 2.47 0.00 124 L 8.67 4.14 0.00 1.93 1.77 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.66 4.17 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 126 D 8.35 4.48 0.00 2.87 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 0.00 127 A 7.69 3.93 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 0.00 128 A 7.45 4.28 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 0.00 129 E 8.00 4.36 0.00 1.96 1.99 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 2.30 2.31 0.00 130 G 9.07 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 0.00 131 K 8.54 4.20 0.00 1.83 1.82 0.00 1.37 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.48 7.81 132 G 8.89 4.10 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 0.00 133 G 8.18 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 0.00 134 A 8.16 4.11 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 0.00 135 V 7.33 3.59 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 0.93 0.00 0.00 0.98 0.00 0.00 136 K 7.72 3.93 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 137 K 8.42 3.79 0.00 1.23 0.74 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.36 7.81 138 K 6.90 3.87 0.00 1.70 1.87 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.68 7.81 139 E 8.39 3.94 0.00 1.93 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 2.29 2.45 0.00 140 D 7.82 4.23 0.00 2.66 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 0.00 141 V 7.50 3.73 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.95 0.00 0.00 142 E 7.96 4.11 0.00 2.12 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 2.35 2.49 0.00 143 R 7.65 4.47 0.00 1.90 1.92 0.00 3.06 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 144 M 8.26 4.56 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 145 A 7.20 3.94 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 0.00 146 E 7.91 4.40 0.00 1.95 1.95 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 2.27 2.29 0.00 147 A 7.80 4.26 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 0.00 148 N 7.83 4.81 0.00 2.76 2.72 0.00 0.00 6.63 7.05 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 0.00 149 R 7.97 3.96 0.00 1.69 1.85 0.00 3.15 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 150 A 7.64 4.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.44 4.69 0.00 2.93 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 0.00 152 A 7.42 4.46 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 0.00 153 H 7.04 4.85 0.00 3.07 3.17 0.00 5.47 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.87 4.58 0.00 2.94 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