NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5773 8.3649 120.5375 53.6618 42.5420 174.9854 3 I 4.3573 7.5413 120.5467 58.6562 38.9974 171.9215 4 E 4.2039 9.7007 128.5538 56.8265 31.2302 175.8157 5 T 5.1525 8.5323 119.5513 61.9879 70.7965 173.6642 6 I 4.5262 9.3317 127.3391 59.4506 40.6629 174.5586 7 V 4.5994 8.0802 124.3079 60.9298 33.1221 175.2652 8 N 4.2841 8.9945 124.1947 54.5775 38.6484 174.4722 9 E 4.4491 8.8761 121.4519 56.1499 30.3803 175.4424 10 F 4.8939 7.7055 116.8386 55.2520 43.1825 174.9605 11 E 4.1963 9.1150 122.5290 58.5695 29.2878 176.7560 12 T 4.7310 7.6707 106.9417 59.1955 72.0788 175.2238 13 R 4.0087 8.6603 122.1710 59.1818 30.1419 178.8622 14 A 4.0938 7.9422 120.4838 55.3148 18.3044 179.9029 15 G 3.2227 7.8604 103.2915 48.1716 0.0000 176.0919 16 T 4.1893 7.6503 117.7836 66.2925 68.4553 176.5100 17 L 4.0261 8.3228 121.3942 58.2887 41.8300 179.8763 18 L 4.1161 7.8688 118.4985 57.7483 41.4034 179.5114 19 R 3.8846 8.1048 118.6814 59.3075 29.9411 177.9538 20 Y 3.7109 8.0986 116.4461 60.0925 37.6564 177.0151 21 Y 4.3060 8.4915 121.2868 61.1947 38.7679 178.4160 22 T 3.4282 7.6627 108.1077 63.8059 69.1716 176.6791 23 G 3.5895 7.4588 108.5143 46.9519 0.0000 174.7806 24 L 4.5702 8.0321 119.4940 54.2751 41.6684 178.3505 25 L 3.8248 7.0153 120.9175 57.8359 41.3631 178.4190 26 E 4.0492 8.1911 118.5918 59.8823 29.4376 179.2194 27 R 4.2192 7.9494 117.3454 59.0813 30.2832 179.0491 28 S 5.0698 7.9536 114.9584 60.6640 62.7509 176.8929 29 K 4.0046 7.3514 122.2397 59.3102 32.0429 178.7951 30 V 3.8968 7.6120 114.4604 62.6673 32.2755 175.1708 31 Q 4.4728 7.2780 115.4820 55.1228 32.3715 171.3593 32 P 4.9748 0.0000 0.0000 62.9180 32.7659 175.3708 33 C 4.8247 8.3614 115.2725 59.4014 32.4941 173.0426 34 C 5.4320 8.6487 123.5613 58.0618 34.7499 172.5324 35 F 5.5007 8.4150 118.7975 57.7516 41.6162 172.2687 36 K 5.1298 8.3318 116.3029 55.1977 36.6520 175.4419 37 L 4.9800 8.8331 123.7806 53.4803 43.4844 175.4069 38 Y 4.0316 8.7938 125.4035 59.4520 38.8295 175.6783 39 N 3.9466 8.3543 122.7199 53.7060 36.1041 173.0917 40 D 4.3849 7.6891 118.8434 53.9899 40.9268 175.8518 41 P 4.3839 0.0000 0.0000 64.2744 31.4289 176.6703 42 F 4.5217 8.4379 116.5817 56.4386 40.3047 174.7025 43 D 4.4217 8.0685 119.5416 55.2315 39.9658 172.8436 44 M 4.5362 7.7849 116.8443 55.0492 32.7297 176.7314 45 V 3.9456 8.4757 123.8872 62.2357 33.5413 174.1388 46 Y 5.1103 8.5473 124.6962 56.0516 41.1715 174.7223 47 V 4.9696 9.0139 123.5846 61.4701 34.7445 173.8415 48 M 5.2456 9.2498 128.1048 54.3811 33.5403 175.2006 49 M 4.6367 9.2702 124.1412 54.7839 35.8117 174.3299 50 N 3.9784 9.1566 125.7351 54.7322 36.0813 175.6795 51 S 4.1180 8.2085 110.2437 58.3715 63.1154 169.6851 52 K 4.9111 7.7504 119.5135 54.7506 35.8274 174.5191 53 L 5.2857 8.0609 123.9698 53.5595 44.1869 175.4021 54 F 5.4045 9.7459 124.5966 55.9462 42.9474 174.0795 55 S 5.2338 9.3204 114.6203 57.5351 66.5748 172.0650 56 H 5.4306 8.5624 116.6115 54.2379 31.8861 173.1935 57 V 4.1055 8.7918 121.6617 62.8825 32.2074 174.9833 58 Y 3.7582 9.0139 129.8840 59.0536 38.5009 174.0466 59 I 3.7998 8.3949 127.2048 57.6590 39.9198 176.3958 60 K 4.5593 8.2701 125.1591 57.5993 30.4211 177.5244 61 D 4.3974 7.7108 118.1084 55.6859 40.0942 176.2746 62 C 4.4200 7.7999 119.7438 57.7001 32.7075 171.8426 63 K 4.5482 8.3604 125.8333 54.8254 33.1701 176.4505 64 V 4.1556 8.0612 124.0130 61.3932 30.7159 175.6293 65 R 4.0216 8.3466 123.9908 57.1505 30.0212 176.3473 66 Q 4.1052 8.2601 119.8559 54.2173 30.9017 173.5491 67 S 4.3313 7.9211 118.6767 56.1707 66.5482 172.5407 68 F 4.9022 8.5855 118.9720 55.4820 42.6529 174.1205 69 E 4.1482 9.2384 125.8386 56.1713 29.2807 176.1281 70 L 4.5472 8.7098 126.8605 55.9237 43.5604 176.3297 71 A 4.7190 7.4753 117.8221 52.0278 22.6310 175.0761 72 S 4.9338 8.0575 112.4258 56.0854 66.4493 173.2483 73 P 4.4215 0.0000 0.0000 65.7549 31.0334 177.7445 74 K 4.3463 7.9518 113.7697 56.9398 32.8296 176.7674 75 H 5.3628 8.8724 116.1421 52.8365 29.5361 173.8896 76 T 4.4093 7.5769 109.5657 61.8576 69.8508 176.4902 77 E 4.0753 8.1375 121.6208 59.3856 29.7169 178.7520 78 G 3.9260 8.1764 106.4020 47.9431 0.0000 175.4019 79 L 4.1337 7.7806 120.9259 57.4076 41.9123 179.3651 80 I 3.7582 7.6664 119.2833 64.3976 36.9663 178.5649 81 R 4.1125 8.2317 118.8686 58.9191 29.9570 179.0272 82 S 4.4985 7.8294 113.7442 61.1397 62.5769 176.7341 83 I 3.6808 7.5273 122.4424 64.3784 36.8846 178.1131 84 E 4.2032 8.1868 119.3207 59.6151 29.5002 179.8811 85 G 3.0612 8.4894 105.5282 47.2617 0.0000 175.1457 86 H 3.9859 7.7274 120.0169 59.6947 29.9900 176.6824 87 Y 4.2229 7.2851 117.0469 60.1915 37.8531 176.8214 88 V 4.2599 7.6447 115.3251 60.9091 33.5663 176.8135 89 G 3.6891 7.4793 106.8022 45.5263 0.0000 171.7458 90 Y 4.7022 9.1442 116.8253 56.0873 41.6478 174.5594 91 E 4.9041 8.8228 124.8011 54.5712 30.7382 175.6785 92 L 4.5837 8.9252 127.7281 53.7153 43.6783 177.6872 93 H 4.3963 8.8866 117.0158 58.0694 28.7330 176.0738 94 D 4.6981 8.1520 118.3040 52.7919 39.3434 177.9151 95 G 3.9822 8.2156 107.7842 46.1572 0.0000 174.7128 96 K 4.3328 8.1083 119.4290 56.3031 33.4329 175.5751 97 Q 5.0726 8.6082 122.6963 54.3114 31.5472 173.6715 98 L 5.0759 9.2989 129.2247 53.0842 44.9987 176.2090 99 S 4.4482 8.6755 119.9796 57.6691 64.4530 174.8693 100 I 4.0358 8.4877 121.0588 64.5012 37.5885 178.0676 101 S 4.1463 8.1681 115.4122 62.0146 62.7378 176.2261 102 D 4.3566 7.8670 119.8775 57.7375 40.5884 178.7198 103 M 3.9568 8.8397 119.0261 58.6834 32.1676 178.0434 104 M 3.7619 8.4535 118.5031 58.3804 32.3958 177.6932 105 A 3.5188 8.3834 121.6365 55.3145 18.4088 179.5968 106 S 4.1225 8.3366 111.6029 61.7779 62.2918 176.3631 107 Q 3.8801 7.6205 119.4251 58.5862 28.3987 178.3280 108 L 3.8743 7.4404 120.5432 57.3826 42.2778 177.9860 109 F 5.1342 8.2359 115.1040 57.2730 40.4879 176.1536 110 E 4.6299 8.1627 117.4424 55.7042 29.8929 175.9680 111 D 4.6293 7.8976 118.2736 51.9056 43.9861 174.7350 112 E 3.6250 8.3937 126.6591 58.9470 30.0041 178.3982 113 Y 4.0582 7.4653 117.7364 60.7252 37.7754 177.4629 114 F 4.4809 8.7512 121.0642 61.8130 39.6572 176.9143 115 M 3.9030 7.4145 117.7718 58.5926 31.7743 178.3191 116 Y 4.3954 7.4552 116.9599 61.2103 37.8487 179.0714 117 G 3.8629 7.9611 104.9782 47.5571 0.0000 175.3052 118 L 4.2611 8.0882 121.5873 57.4286 41.4943 178.8763 119 Q 3.6943 8.1978 116.8496 59.6815 28.7328 179.6382 120 T 4.2528 7.7611 114.3715 65.1912 69.1118 174.8562 121 Y 4.1513 7.7162 122.0638 57.9164 38.4584 174.5540 *146 Q 4.1638 8.2372 124.1861 55.7115 29.7945 175.2211 147 S 4.5000 8.4188 112.0973 58.6709 63.4683 173.6328 148 S 4.6305 8.0065 117.9599 57.1898 66.6140 174.7229 149 N 4.3693 8.7443 118.9935 55.8006 36.7892 175.5350 150 T 4.5425 8.7513 116.3182 60.1125 72.8599 174.4117 151 D 4.7263 8.5962 126.4477 52.9771 41.9504 177.5442 152 V 3.8879 8.4264 119.5721 66.3238 31.5760 178.3265 153 I 3.9989 8.1824 119.0861 64.1545 37.2154 177.9660 154 A 4.0212 8.9324 122.2047 55.1225 18.1228 179.5303 155 N 4.1100 7.9812 114.7208 56.5565 38.5685 177.7871 156 I 3.6312 7.5964 120.5297 63.9118 37.1017 178.4038 157 E 3.8714 8.2747 119.9623 59.4372 29.2869 178.8580 158 M 4.1246 7.7905 117.8075 58.5477 32.1924 178.2415 159 L 3.7600 7.6440 119.0547 57.9256 41.8254 179.1449 160 Y 3.5570 8.3064 116.9336 60.9324 37.5650 178.4372 161 Q 3.9582 8.2165 117.9889 59.1411 29.1305 178.5844 162 L 4.0558 8.2104 119.8422 57.9378 41.6294 179.3722 163 A 3.5239 7.7133 120.6745 55.3396 18.2066 179.7432 164 T 3.9836 7.7057 107.0709 63.9691 68.5261 175.8385 165 G 4.0542 7.8928 107.0801 44.0889 0.0000 173.5096 166 I 4.2223 7.4185 123.0088 60.4297 37.5778 175.1528 167 N 4.6463 8.7400 123.3637 53.8510 40.0485 175.6316 168 E 3.6711 8.6837 118.4920 56.6263 26.6363 173.0693 169 P 4.2933 0.0000 0.0000 62.2940 32.4789 177.6010 170 V 3.6856 8.3629 122.5623 62.2156 32.3886 174.6772 171 P 4.2062 0.0000 0.0000 65.9612 31.1778 178.6151 172 E 4.0878 8.4056 116.7145 59.5438 29.3356 179.4904 173 L 3.9699 8.1303 118.9044 57.7300 41.7655 179.4369 174 V 3.4562 7.6358 117.5930 66.3625 31.3941 176.7999 175 E 3.9599 8.9288 119.0761 59.4354 29.3544 178.7358 176 G 3.9674 8.8534 105.4175 48.1872 0.0000 175.0242 177 L 3.8863 7.9399 123.1024 57.4461 42.0372 179.0106 178 K 3.9918 8.1943 119.6472 59.7944 32.1141 178.1391 179 L 3.9564 8.3045 119.3678 58.2534 41.3140 179.4512 180 V 3.6394 7.9864 119.0200 66.6282 31.2516 178.5076 181 T 4.2273 7.8701 114.9341 66.6194 67.9839 176.4936 182 E 3.9856 8.4662 121.3315 59.0284 29.1646 178.1598 183 F 3.8368 8.6434 121.3471 61.8915 39.1352 177.8213 184 V 3.7403 7.5202 109.2038 63.3617 32.6631 177.6503 185 Q 4.4253 7.2937 118.5148 55.8078 25.8990 175.4011 186 D 4.3624 8.4592 120.9325 53.2552 40.5374 177.6825 187 E 3.4369 8.8155 115.5485 57.2017 28.4023 173.4638 188 N 4.0699 8.5540 109.8143 54.9547 35.8843 174.8774 189 A 4.0396 7.2872 119.4434 52.7758 19.4389 177.8567 190 T 4.5691 8.1840 109.7318 59.6606 71.1601 175.4706 191 Q 4.0815 8.7195 122.0874 59.7192 28.6253 178.8231 192 E 4.0695 7.9090 118.7582 59.3412 29.4885 178.8610 193 D 4.4312 8.1973 118.9522 57.5267 40.8860 177.8674 194 Y 4.1419 8.5052 119.8622 60.9764 38.5793 178.5465 195 K 4.1689 8.2071 119.1084 59.5483 32.4855 179.0949 196 A 3.9256 8.1252 122.3309 54.8753 18.2476 179.0423 197 L 3.8275 7.9070 118.9338 58.3498 42.1213 178.7065 198 E 3.6402 7.8930 119.5622 59.1733 29.5417 178.9583 199 R 3.9197 7.6435 115.8018 59.2069 29.3367 178.9655 200 K 3.8676 7.7171 118.9773 59.1139 32.0571 178.9321 201 L 4.1012 8.0713 119.5428 58.4450 41.7736 179.6843 202 N 4.1502 8.6384 116.2016 56.1124 38.3860 177.2815 203 D 4.2815 8.4889 120.7501 57.3286 41.0041 178.6307 204 L 3.8775 8.5269 119.6916 58.2507 41.6124 179.1448 205 K 2.9565 7.7934 118.6478 59.7513 31.4998 177.8416 206 A 4.0005 8.0328 119.9820 55.3050 18.2584 179.6208 207 S 4.0052 8.1135 111.4489 61.7173 62.2900 175.7558 208 Y 3.7690 8.1602 121.2836 60.3162 38.5972 176.6845 209 Y 4.4234 8.0427 114.4748 57.0438 38.7764 175.5497 210 S 3.7156 7.7997 115.4682 58.5695 61.3078 172.6705 211 L 3.9775 7.3905 118.7134 55.4454 41.9113 178.9066 212 S 4.4046 8.5236 118.3485 58.1673 62.5024 176.2217 213 K 3.3519 8.3629 132.5191 55.9632 30.6188 175.6493 214 L 3.9759 8.7091 125.0191 56.3987 41.8163 174.0732 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 D 8.36 4.58 0.00 2.72 2.80 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 3 I 7.54 4.36 1.90 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 1.40 0.77 0.98 0.00 0.00 4 E 9.70 4.20 0.00 2.19 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 2.44 2.41 0.00 5 T 8.53 5.15 4.31 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 1.36 0.00 0.00 6 I 9.33 4.53 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.43 0.51 0.00 0.00 7 V 8.08 4.60 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 0.77 0.00 0.00 0.78 0.00 0.00 8 N 8.99 4.28 0.00 2.83 2.88 0.00 0.00 6.91 7.66 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 9 E 8.88 4.45 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 10 F 7.71 4.89 0.00 3.20 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 11 E 9.12 4.20 0.00 2.06 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 2.28 2.37 0.00 12 T 7.67 4.73 4.17 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 0.91 0.00 0.00 13 R 8.66 4.01 0.00 2.13 2.09 0.00 3.30 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 14 A 7.94 4.09 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 15 G 7.86 3.22 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 0.00 16 T 7.65 4.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 17 L 8.32 4.03 0.00 1.86 1.75 0.43 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.87 4.12 0.00 1.75 1.69 0.91 0.93 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 19 R 8.10 3.88 0.00 1.90 2.21 0.00 3.43 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 20 Y 8.10 3.71 0.00 3.05 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 21 Y 8.49 4.31 0.00 3.09 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 22 T 7.66 3.43 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 1.37 0.00 0.00 23 G 7.46 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 0.00 0.00 0.00 0.00 24 L 8.03 4.57 0.00 1.70 1.72 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.02 3.82 0.00 1.30 1.61 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.19 4.05 0.00 1.99 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 2.37 2.41 0.00 27 R 7.95 4.22 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 28 S 7.95 5.07 0.00 4.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.35 4.00 0.00 1.93 1.93 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.62 7.81 30 V 7.61 3.90 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 0.85 0.00 0.00 0.94 0.00 0.00 31 Q 7.28 4.47 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 32 P 0.00 4.97 0.00 2.02 2.04 0.00 3.86 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 33 C 8.36 4.82 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.65 5.43 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.41 5.50 0.00 3.24 3.13 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 36 K 8.33 5.13 0.00 1.93 1.79 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.51 7.81 37 L 8.83 4.98 0.00 1.76 1.86 0.96 0.82 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 38 Y 8.79 4.03 0.00 2.88 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 39 N 8.35 3.95 0.00 2.51 2.77 0.00 0.00 7.05 8.06 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 40 D 7.69 4.38 0.00 2.87 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 41 P 0.00 4.38 0.00 1.83 2.02 0.00 3.89 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 1.99 1.96 0.00 42 F 8.44 4.52 0.00 3.11 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 43 D 8.07 4.42 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 44 M 7.78 4.54 0.00 1.23 1.47 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 45 V 8.48 3.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 46 Y 8.55 5.11 0.00 1.85 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 0.00 0.00 0.00 47 V 9.01 4.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 48 M 9.25 5.25 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.83 0.00 49 M 9.27 4.64 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 50 N 9.16 3.98 0.00 3.10 3.02 0.00 0.00 7.16 7.39 0.00 0.00 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 S 8.21 4.12 0.00 4.15 4.17 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 52 K 7.75 4.91 0.00 1.70 1.40 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.57 7.81 53 L 8.06 5.29 0.00 1.79 1.15 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.75 5.40 0.00 2.86 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 55 S 9.32 5.23 0.00 3.84 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 56 H 8.56 5.43 0.00 3.39 3.41 0.00 5.32 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.79 4.11 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 0.83 0.00 0.00 0.90 0.00 0.00 58 Y 9.01 3.76 0.00 2.97 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 59 I 8.39 3.80 1.72 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 1.39 0.94 0.82 0.00 0.00 60 K 8.27 4.56 0.00 0.79 2.05 0.00 1.38 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.90 1.49 7.81 61 D 7.71 4.40 0.00 2.74 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 62 C 7.80 4.42 0.00 2.93 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 63 K 8.36 4.55 0.00 1.74 1.68 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.33 7.81 64 V 8.06 4.16 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 0.71 0.00 0.00 0.85 0.00 0.00 65 R 8.35 4.02 0.00 1.90 1.99 0.00 3.05 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 66 Q 8.26 4.11 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.15 1.60 0.00 67 S 7.92 4.33 0.00 3.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.59 4.90 0.00 2.49 2.51 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 69 E 9.24 4.15 0.00 1.86 1.78 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 2.06 1.67 0.00 70 L 8.71 4.55 0.00 1.40 1.63 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.48 4.72 0.60 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 0.00 0.00 72 S 8.06 4.93 0.00 3.89 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 73 P 0.00 4.42 0.00 2.10 2.21 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 74 K 7.95 4.35 0.00 1.68 1.63 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 75 H 8.87 5.36 0.00 3.05 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.58 4.41 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 1.36 0.00 0.00 77 E 8.14 4.08 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 78 G 8.18 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 79 L 7.78 4.13 0.00 1.84 1.69 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.67 3.76 1.99 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 1.51 1.05 0.92 0.00 0.00 81 R 8.23 4.11 0.00 2.18 2.10 0.00 3.17 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 82 S 7.83 4.50 0.00 4.11 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 83 I 7.53 3.68 2.05 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 1.52 0.88 1.07 0.00 0.00 84 E 8.19 4.20 0.00 2.01 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 2.37 2.59 0.00 85 G 8.49 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 0.00 0.00 0.00 86 H 7.73 3.99 0.00 3.20 3.31 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.29 4.22 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.64 4.26 2.06 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 0.75 0.00 0.00 0.97 0.00 0.00 89 G 7.48 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 90 Y 9.14 4.70 0.00 2.73 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 91 E 8.82 4.90 0.00 2.08 1.88 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 2.25 2.27 0.00 92 L 8.93 4.58 0.00 1.78 1.59 0.96 0.87 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 93 H 8.89 4.40 0.00 3.16 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.15 4.70 0.00 2.78 2.77 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 0.00 0.00 0.00 0.00 95 G 8.22 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 96 K 8.11 4.33 0.00 1.88 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.56 7.81 97 Q 8.61 5.07 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 98 L 9.30 5.08 0.00 1.82 1.60 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.68 4.45 0.00 4.09 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 0.00 100 I 8.49 4.04 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.23 0.98 0.00 0.00 101 S 8.17 4.15 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.87 4.36 0.00 2.97 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 0.00 103 M 8.84 3.96 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.64 0.00 104 M 8.45 3.76 0.00 2.09 1.91 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 2.36 2.35 0.00 105 A 8.38 3.52 0.72 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 0.00 0.00 106 S 8.34 4.12 0.00 3.99 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 0.00 107 Q 7.62 3.88 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 108 L 7.44 3.87 0.00 1.25 1.12 0.83 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.24 5.13 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.16 4.63 0.00 2.13 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 2.12 2.03 0.00 111 D 7.90 4.63 0.00 2.68 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 0.00 112 E 8.39 3.63 0.00 1.52 1.87 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 1.74 1.55 0.00 113 Y 7.47 4.06 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.75 4.48 0.00 2.92 3.34 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 0.00 115 M 7.41 3.90 0.00 2.01 1.89 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 2.55 2.63 0.00 116 Y 7.46 4.40 0.00 3.07 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 0.00 117 G 7.96 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 0.00 118 L 8.09 4.26 0.00 1.80 1.41 -0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.20 3.69 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 1.16 2.20 0.00 120 T 7.76 4.25 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 121 Y 7.72 4.15 0.00 3.35 3.32 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 *146 Q 8.24 4.16 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 147 S 8.42 4.50 0.00 3.85 3.81 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 0.00 148 S 8.01 4.63 0.00 3.89 3.75 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 0.00 149 N 8.74 4.37 0.00 2.55 2.79 0.00 0.00 5.80 7.71 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 0.00 150 T 8.75 4.54 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 151 D 8.60 4.73 0.00 3.02 2.84 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 0.00 152 V 8.43 3.89 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 1.14 0.00 0.00 1.11 0.00 0.00 153 I 8.18 4.00 2.15 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 1.70 0.62 1.05 0.00 0.00 154 A 8.93 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.98 4.11 0.00 2.95 2.14 0.00 0.00 6.97 6.68 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 0.00 156 I 7.60 3.63 1.74 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.14 0.00 0.00 157 E 8.27 3.87 0.00 2.09 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 0.00 2.46 2.77 0.00 158 M 7.79 4.12 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 159 L 7.64 3.76 0.00 1.77 1.44 0.46 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 8.31 3.56 0.00 2.86 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 0.00 161 Q 8.22 3.96 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 162 L 8.21 4.06 0.00 1.62 1.63 0.70 0.57 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 0.00 163 A 7.71 3.52 0.21 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 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.71 3.98 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 1.33 0.00 0.00 165 G 7.89 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 0.00 166 I 7.42 4.22 2.15 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 1.38 0.80 1.05 0.00 0.00 167 N 8.74 4.65 0.00 2.79 2.77 0.00 0.00 7.43 7.66 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 0.00 168 E 8.68 3.67 0.00 2.02 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 2.23 2.27 0.00 169 P 0.00 4.29 0.00 1.81 2.06 0.00 3.68 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 1.56 1.35 0.00 170 V 8.36 3.69 2.16 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 0.99 0.00 0.00 0.86 0.00 0.00 171 P 0.00 4.21 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 172 E 8.41 4.09 0.00 2.38 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 0.00 2.69 2.53 0.00 173 L 8.13 3.97 0.00 1.93 1.88 1.07 0.66 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 0.00 174 V 7.64 3.46 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 0.90 0.00 0.00 0.43 0.00 0.00 175 E 8.93 3.96 0.00 2.27 1.97 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 2.33 2.43 0.00 176 G 8.85 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 0.00 177 L 7.94 3.89 0.00 1.77 1.72 0.47 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.19 3.99 0.00 1.90 1.93 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 179 L 8.30 3.96 0.00 1.90 1.68 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.99 3.64 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 0.94 0.00 0.00 0.95 0.00 0.00 181 T 7.87 4.23 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 182 E 8.47 3.99 0.00 2.07 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 2.33 2.31 0.00 183 F 8.64 3.84 0.00 3.09 3.22 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 0.00 184 V 7.52 3.74 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 0.75 0.00 0.00 1.23 0.00 0.00 185 Q 7.29 4.43 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 186 D 8.46 4.36 0.00 2.73 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 0.00 187 E 8.82 3.44 0.00 2.20 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 2.12 2.27 0.00 188 N 8.55 4.07 0.00 2.87 2.92 0.00 0.00 7.11 7.35 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 0.00 189 A 7.29 4.04 1.05 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 0.00 190 T 8.18 4.57 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 1.22 0.00 0.00 191 Q 8.72 4.08 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 192 E 7.91 4.07 0.00 2.20 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 2.37 2.52 0.00 193 D 8.20 4.43 0.00 3.01 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 0.00 194 Y 8.51 4.14 0.00 3.37 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 8.21 4.17 0.00 2.13 2.40 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.49 7.81 196 A 8.13 3.93 1.44 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 0.00 197 L 7.91 3.83 0.00 1.67 1.45 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.89 3.64 0.00 1.34 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 199 R 7.64 3.92 0.00 2.02 2.16 0.00 2.82 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 200 K 7.72 3.87 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.57 7.81 201 L 8.07 4.10 0.00 1.80 1.90 0.80 0.91 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 0.00 202 N 8.64 4.15 0.00 2.85 2.83 0.00 0.00 7.10 8.11 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 0.00 203 D 8.49 4.28 0.00 2.80 2.68 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 0.00 204 L 8.53 3.88 0.00 1.74 1.73 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 205 K 7.79 2.96 0.00 1.40 1.81 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 206 A 8.03 4.00 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 0.00 207 S 8.11 4.01 0.00 3.88 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 0.00 208 Y 8.16 3.77 0.00 2.90 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 0.00 209 Y 8.04 4.42 0.00 3.18 3.03 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 0.00 210 S 7.80 3.72 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 L 7.39 3.98 0.00 1.67 1.64 1.06 0.77 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 0.00 212 S 8.52 4.40 0.00 3.97 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 0.00 213 K 8.36 3.35 0.00 1.90 1.58 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.38 7.81 214 L 8.71 3.98 0.00 1.69 1.58 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.