NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6555 0.0000 0.0000 63.0280 32.9538 174.4117 3 Y 4.9770 7.9367 115.9876 55.5303 41.9063 172.6495 4 I 4.0585 9.3144 122.5123 61.2184 37.6924 177.2202 5 E 4.5412 9.5764 128.8061 58.9821 30.5920 176.9465 6 K 4.8853 7.6718 115.4808 56.2523 35.8093 174.0431 7 L 5.3217 8.7473 120.8441 53.0435 45.2304 175.4196 8 E 5.1610 9.4591 121.9735 54.5513 32.7756 174.8513 9 L 5.1497 8.8370 124.3360 52.7367 45.2091 175.5619 10 K 4.4998 8.9670 124.4532 55.1928 35.2922 176.4020 11 G 3.8737 9.0182 115.7733 46.0999 0.0000 171.5926 12 F 4.8836 8.1140 122.1977 57.1025 41.5436 176.4792 13 K 3.4747 7.9128 129.2580 57.7522 31.6778 176.8843 14 S 4.6618 8.8152 124.1598 60.1946 62.9551 174.3764 15 Y 3.5907 8.2505 118.5262 58.0287 38.1478 176.6288 16 G 2.2026 6.5135 110.5294 44.2782 0.0000 173.4666 17 N 4.4554 7.9661 113.8569 53.5445 39.2457 175.4660 18 K 4.2411 7.5771 118.3978 54.6346 33.1180 176.2664 19 K 4.0552 8.6760 125.1799 57.2891 32.6902 175.5955 20 V 4.3569 8.9638 127.8424 61.1210 33.8035 174.1421 21 V 4.5754 8.3275 127.6688 61.3371 33.2880 174.9138 22 I 4.3148 8.7509 128.7932 58.8106 39.6257 172.8804 23 P 4.8455 0.0000 0.0000 61.8751 32.7296 175.3997 24 F 5.0364 8.3989 119.3022 55.4188 42.5326 175.2132 25 S 4.2641 8.8498 116.5967 57.8740 62.7896 174.5023 26 K 3.3682 8.6257 127.3788 58.5558 33.5659 177.5884 27 G 3.7814 8.2314 104.2334 45.4376 0.0000 176.0150 28 F 5.0157 9.4155 128.9414 56.6445 40.5966 173.3139 29 T 4.4852 8.8138 124.7083 61.6148 70.4461 173.7842 30 A 4.7563 8.2400 128.6128 50.4622 20.8667 175.9653 31 I 4.5295 8.3205 122.4100 59.5522 39.3596 175.6063 32 V 4.5644 9.3530 117.4348 58.6507 35.2058 174.9230 33 G 4.2840 8.2966 112.5348 44.5814 0.0000 172.3521 34 A 4.1649 7.7524 123.0170 51.5168 19.0554 177.0725 35 N 4.4222 8.5629 117.3285 55.1660 38.9328 175.8448 36 G 3.9502 8.9363 110.0219 45.9518 0.0000 174.3510 37 S 4.2191 7.9361 114.7551 59.1160 63.3320 174.1912 38 G 3.6857 8.3963 109.9499 45.5113 0.0000 175.8215 39 K 3.9514 8.4326 121.4357 59.6619 32.2301 179.4851 40 S 4.2840 8.1635 114.7165 61.6179 62.7757 176.3558 41 N 4.6139 7.9750 119.0286 56.2115 38.2713 177.4311 42 I 3.8081 8.0349 121.7642 64.3078 37.2166 178.4968 43 G 3.7435 8.2179 106.0754 48.0979 0.0000 175.2822 44 D 4.5416 8.4252 120.9519 56.9985 40.7620 178.6443 45 A 3.0421 8.1075 121.4489 54.8133 18.3227 179.8115 46 I 3.6410 7.6175 117.7489 64.4645 37.1348 178.4452 47 L 4.0406 8.0700 119.8586 57.8711 41.5238 179.3783 48 F 4.3020 8.7354 120.9321 61.5327 39.2361 177.6492 49 V 3.5820 7.9955 117.0529 64.0169 31.3033 177.1570 50 L 4.5679 7.6351 117.8390 54.5680 41.5811 177.0525 51 G 4.1964 8.0505 107.5286 45.1175 0.0000 174.3194 52 G 3.8477 8.0789 108.3804 45.7694 0.0000 174.1398 53 L 4.5832 8.3374 120.8384 54.3345 43.7867 176.9149 54 S 4.2663 8.0609 112.4808 57.3715 61.4334 172.8215 55 A 4.1836 8.8394 131.6223 55.2199 18.3757 179.4789 56 K 3.8325 8.2735 114.6515 59.7887 32.2191 179.4102 57 A 4.0625 7.7896 117.8117 52.9562 17.8340 177.9128 *59 R 4.1709 7.8059 115.1519 57.8412 31.4499 175.7016 60 A 4.8836 8.4220 119.9524 50.4717 21.8647 176.9265 61 S 4.6336 9.3118 116.4182 58.6029 64.6337 173.9792 62 R 4.6634 7.5793 116.1951 53.5421 32.3195 175.5240 63 I 3.7682 8.3700 117.6775 64.0022 37.6217 177.5903 64 S 4.1601 8.0559 114.3272 60.8717 62.5162 175.9135 65 D 4.3870 7.7481 122.4015 56.9740 40.8685 177.9179 66 L 3.7934 8.0091 119.3792 55.3508 41.7658 176.4153 67 I 4.5773 6.4919 119.9438 59.5393 38.2746 175.8016 68 F 4.5181 8.9110 128.8994 58.3191 39.7285 174.1753 69 A 4.2320 7.8813 127.5194 48.9472 20.6157 174.8247 *75 P 4.1732 0.0000 0.0000 62.2081 32.0021 174.6246 76 P 4.2812 0.0000 0.0000 62.5646 32.4699 176.7459 77 A 4.0314 8.5189 124.7858 52.7776 18.6780 178.1423 78 K 4.2480 8.3811 121.3823 59.0846 32.6328 176.2924 79 Y 4.7303 6.7788 113.6395 56.2517 40.4889 173.2345 80 A 5.1189 8.7501 121.9173 50.2567 21.8712 175.3011 81 E 5.3609 9.7955 122.4876 54.4789 33.6008 174.3332 82 V 4.9794 9.1751 125.5008 61.0082 35.0141 173.7945 83 A 5.1546 9.1679 129.2140 50.0568 21.9840 174.5820 84 I 4.8144 8.7895 122.7927 59.2765 41.1712 173.7330 85 Y 4.8719 8.9667 126.9849 56.4009 40.2517 174.4833 86 F 5.1532 9.1490 124.3446 55.5998 41.5543 174.9267 87 N 4.6777 8.7842 123.4804 53.0617 39.7860 174.7611 88 N 5.3355 9.2266 125.8716 53.2243 39.6553 176.0200 89 E 3.9807 8.5317 119.3495 58.8786 29.5587 177.9668 90 D 4.5782 8.1618 115.1987 53.1046 39.9352 176.1232 91 R 4.0037 8.2954 118.3020 57.2163 28.3101 177.9149 92 G 3.6943 8.5122 108.8236 48.4550 0.0000 175.3962 93 F 4.2451 8.8147 118.9159 56.1570 40.0665 174.6340 94 P 4.6951 0.0000 0.0000 62.1781 30.3614 176.5518 95 I 4.5863 7.1270 117.0721 60.5317 41.7938 176.6265 96 D 4.7192 8.5407 126.2355 52.7659 39.7346 175.4151 97 E 4.7614 7.4143 118.4457 54.6384 34.2858 176.0542 98 D 4.5693 8.8339 122.4187 56.4653 42.1572 175.6889 99 E 5.0422 8.0928 118.2022 54.1042 32.7964 175.0942 100 V 4.3683 8.6565 126.3920 61.0459 34.2000 174.0790 101 V 4.6001 9.0974 128.5860 61.0525 33.9703 174.0780 102 I 5.0368 8.5019 128.5976 59.4737 40.2274 174.5289 103 R 5.0943 9.1118 126.5908 54.4816 33.4109 173.8327 104 R 4.8627 9.2158 126.2448 54.3917 33.3002 173.7818 105 R 5.3740 9.0804 126.4247 54.4646 33.2799 174.3624 106 V 5.0096 9.2686 125.5711 60.3027 34.6985 174.4087 107 Y 4.9973 8.5450 120.2653 55.6731 40.3554 175.1872 108 P 4.5835 0.0000 0.0000 65.4119 31.5072 177.4803 109 D 4.4841 8.1885 115.8397 54.1455 39.8009 177.1591 110 G 4.0629 8.8714 109.3247 45.0155 0.0000 173.6646 111 R 4.4109 8.8625 117.6333 55.2359 30.7786 175.2684 112 S 5.3823 8.5158 115.1643 56.5457 65.1982 172.8890 113 S 4.6688 8.7430 119.7214 56.6468 65.7119 172.4758 114 Y 5.1093 7.6522 117.8505 56.1083 42.1212 174.4232 115 W 5.3633 9.3858 120.6454 54.9468 34.1586 174.0242 116 L 4.9911 9.0734 125.4719 53.5511 44.2253 176.1302 117 N 4.1680 10.1726 125.9144 54.2539 36.7854 175.6732 118 G 3.9824 8.5725 104.6352 45.3683 0.0000 174.0631 119 R 4.5854 7.9057 119.7958 54.1575 31.5615 175.7487 120 R 4.0655 8.7105 122.5929 57.0444 30.5084 175.0895 121 A 5.0201 8.5470 127.0970 50.6832 23.1378 174.6171 122 T 4.4283 8.3703 108.6616 59.7204 71.6353 175.7237 123 R 2.6915 8.3228 121.6545 59.2855 29.8414 178.2475 124 S 3.9736 7.8653 112.2243 61.6765 62.3039 176.0293 125 E 3.9243 7.7401 121.0724 59.2970 29.0891 179.4823 126 I 3.6306 7.5161 119.8734 64.3639 37.0914 178.4752 127 L 3.9375 8.0556 120.1641 57.7277 41.3645 179.2972 128 D 4.3161 7.9949 118.8300 57.5170 40.5757 178.9923 129 I 3.7382 7.4794 118.8337 64.2919 37.4784 178.2388 130 L 4.0275 8.1092 119.9096 58.0898 41.2477 179.5565 131 T 3.7968 7.9765 114.5962 66.7350 68.4661 176.1654 132 A 4.0146 7.8130 121.1948 54.4282 18.3484 179.0392 133 A 3.8360 7.1478 118.0643 53.3599 19.7469 177.6416 *135 I 3.9312 6.9949 115.8610 61.4269 38.6266 175.3680 136 S 4.6927 7.9776 116.1091 56.3408 65.4054 173.7569 137 P 4.3649 0.0000 0.0000 65.1299 31.1552 176.6715 138 D 4.9045 7.9492 117.1183 52.7489 39.9399 176.5328 139 G 3.9085 7.9328 109.2626 45.8418 0.0000 175.0907 140 Y 4.4714 8.8301 118.5605 59.0767 38.1197 176.7142 141 N 3.9740 7.4785 116.2054 53.0610 37.9971 174.5295 142 I 4.2394 7.3811 120.4633 59.5617 38.6861 175.1421 143 V 4.2511 8.2187 125.4416 60.8030 32.5933 175.0795 144 L 4.3236 8.1580 127.4216 53.6265 42.4928 176.4913 145 Q 4.1559 8.5502 121.5023 57.9068 29.1047 176.7579 146 G 3.9197 8.9886 112.1755 46.2359 0.0000 172.9764 147 D 4.8441 8.0106 117.2736 53.5826 41.2614 177.6659 148 I 3.8343 7.8198 119.6501 64.1601 37.8498 176.9886 149 T 4.2867 7.8644 108.9342 62.5060 68.6235 176.0386 150 K 3.7841 7.9531 122.6715 60.4098 32.3803 178.5509 151 F 4.4209 7.5598 116.4151 59.6888 38.9537 177.2737 152 I 4.1234 7.6733 118.5352 62.6298 38.6397 176.7888 153 K 4.2073 7.8181 121.2890 54.8317 30.5769 176.5082 *155 S 4.2835 7.4670 116.1135 57.3710 65.9758 172.9546 156 P 4.2108 0.0000 0.0000 65.6968 31.0080 178.7768 157 L 3.9412 7.8405 118.5703 58.2764 42.1983 178.6237 158 E 3.9575 8.2870 118.5493 59.5074 29.2477 179.4309 159 R 3.9409 8.2706 118.8741 59.4162 30.1539 178.6134 160 R 3.8941 8.1528 118.5878 59.3275 30.0541 178.3619 161 L 4.0990 8.1458 118.9468 57.6225 41.5438 179.3303 162 L 3.9377 7.7056 119.8868 58.2792 42.0858 179.1715 163 I 3.6882 7.5189 119.8657 64.1358 36.7397 177.8749 164 D 4.3773 8.3443 119.5171 57.5771 40.9874 178.3558 165 D 4.4302 8.2059 118.0854 57.5137 41.0746 178.1497 166 I 3.6846 7.5311 119.1535 64.5071 37.1714 178.2809 167 S 4.2875 8.0113 113.8028 59.3598 63.0559 175.5189 168 G 3.9103 7.6739 109.5969 45.0511 0.0000 173.4190 169 I 3.8430 7.1381 116.9280 61.0399 37.4071 175.8159 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 P 0.00 4.66 0.00 2.33 2.49 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.24 0.00 3 Y 7.94 4.98 0.00 3.03 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 4 I 9.31 4.06 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.53 0.84 0.00 0.00 5 E 9.58 4.54 0.00 1.90 2.03 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 2.13 2.21 0.00 6 K 7.67 4.89 0.00 1.72 1.74 0.00 1.05 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.16 7.81 7 L 8.75 5.32 0.00 1.63 1.55 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 8 E 9.46 5.16 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 2.15 2.26 0.00 9 L 8.84 5.15 0.00 1.46 1.54 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.97 4.50 0.00 1.86 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.38 7.81 11 G 9.02 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 F 8.11 4.88 0.00 3.07 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 13 K 7.91 3.47 0.00 1.79 0.74 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 0.21 7.81 14 S 8.82 4.66 0.00 3.89 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 15 Y 8.25 3.59 0.00 3.24 3.08 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 16 G 6.51 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.97 4.46 0.00 2.65 2.80 0.00 0.00 6.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 4.24 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.35 7.81 19 K 8.68 4.06 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 V 8.96 4.36 2.07 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 0.96 0.00 0.00 1.09 0.00 0.00 21 V 8.33 4.58 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 0.71 0.00 0.00 0.85 0.00 0.00 22 I 8.75 4.31 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 0.45 0.00 0.00 23 P 0.00 4.85 0.00 1.94 1.90 0.00 3.42 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 24 F 8.40 5.04 0.00 3.17 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 25 S 8.85 4.26 0.00 3.85 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 26 K 8.63 3.37 0.00 0.79 1.49 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.26 7.81 27 G 8.23 3.78 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 0.00 0.00 0.00 28 F 9.42 5.02 0.00 2.81 2.92 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 29 T 8.81 4.49 4.48 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 1.33 0.00 0.00 30 A 8.24 4.76 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 0.00 0.00 0.00 0.00 0.00 31 I 8.32 4.53 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 0.99 0.00 0.00 32 V 9.35 4.56 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 0.74 0.00 0.00 0.93 0.00 0.00 33 G 8.30 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 0.00 0.00 0.00 0.00 34 A 7.75 4.16 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 35 N 8.56 4.42 0.00 2.73 2.80 0.00 0.00 7.00 7.65 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 36 G 8.94 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 0.00 0.00 0.00 37 S 7.94 4.22 0.00 4.02 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 38 G 8.40 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 39 K 8.43 3.95 0.00 1.88 1.94 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.58 7.81 40 S 8.16 4.28 0.00 3.93 3.99 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 41 N 7.98 4.61 0.00 3.09 3.26 0.00 0.00 6.90 7.36 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 42 I 8.03 3.81 2.13 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 1.33 1.28 1.04 0.00 0.00 43 G 8.22 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.43 4.54 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 45 A 8.11 3.04 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 46 I 7.62 3.64 2.03 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 1.47 1.15 0.92 0.00 0.00 47 L 8.07 4.04 0.00 2.03 1.85 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.74 4.30 0.00 3.31 3.24 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 49 V 8.00 3.58 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 0.93 0.00 0.00 1.07 0.00 0.00 50 L 7.64 4.57 0.00 1.74 1.80 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.08 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 53 L 8.34 4.58 0.00 1.64 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.06 4.27 0.00 3.86 3.86 0.00 0.00 0.00 0.00 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7.98 4.69 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.36 0.00 2.24 2.28 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 138 D 7.95 4.90 0.00 2.77 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 0.00 139 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.83 4.47 0.00 3.56 3.27 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 0.00 141 N 7.48 3.97 0.00 2.51 2.09 0.00 0.00 5.91 7.81 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 0.00 142 I 7.38 4.24 1.87 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 1.16 0.61 0.93 0.00 0.00 143 V 8.22 4.25 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 0.93 0.00 0.00 1.13 0.00 0.00 144 L 8.16 4.32 0.00 1.77 1.60 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.55 4.16 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 146 G 8.99 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 0.00 0.00 0.00 147 D 8.01 4.84 0.00 2.78 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 0.00 148 I 7.82 3.83 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.19 0.97 0.00 0.00 149 T 7.86 4.29 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 1.24 0.00 0.00 150 K 7.95 3.78 0.00 1.68 2.05 0.00 1.22 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.05 0.34 7.81 151 F 7.56 4.42 0.00 3.15 3.14 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 0.00 152 I 7.67 4.12 2.03 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 1.73 0.81 0.94 0.00 0.00 153 K 7.82 4.21 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 *155 S 7.47 4.28 0.00 4.07 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 0.00 156 P 0.00 4.21 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 157 L 7.84 3.94 0.00 1.75 1.66 0.92 0.99 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 0.00 158 E 8.29 3.96 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 159 R 8.27 3.94 0.00 2.02 2.06 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 160 R 8.15 3.89 0.00 2.04 1.90 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 161 L 8.15 4.10 0.00 1.88 1.71 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.71 3.94 0.00 1.79 1.88 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.52 3.69 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.98 0.87 0.00 0.00 164 D 8.34 4.38 0.00 2.71 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 0.00 165 D 8.21 4.43 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 0.00 166 I 7.53 3.68 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 0.83 0.00 0.00 167 S 8.01 4.29 0.00 4.01 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 0.00 168 G 7.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.14 3.84 1.86 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 1.33 0.62 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.