NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4130 8.3193 116.7922 59.1765 64.2642 172.7731 2 T 4.2466 8.8169 111.8179 62.1372 69.8341 172.7824 3 L 5.3241 8.5815 123.1666 53.1765 45.2276 177.0413 4 R 4.7720 9.2647 121.4709 54.2677 33.7273 174.4568 5 L 5.1148 8.7061 124.6003 53.4763 45.0286 174.5835 6 L 5.2475 9.1277 127.2816 53.0430 44.6591 175.7881 7 I 5.0167 8.7413 123.7929 59.5578 40.4916 174.4976 8 S 4.9828 9.2669 123.4392 57.8086 62.9281 173.0956 9 D 4.8816 9.1451 126.7938 53.9950 41.5208 175.5389 10 S 4.4903 8.2413 111.0151 56.5871 64.7676 173.2519 11 Y 5.1106 7.8353 122.2206 57.5121 38.0739 174.4718 12 D 4.7799 8.3141 121.9385 53.2157 42.0028 175.1098 13 P 4.6633 0.0000 0.0000 64.7712 31.3825 178.4311 14 W 4.3783 7.8900 118.8491 59.3269 29.2275 178.0213 15 F 3.8786 9.6096 121.0377 61.5221 39.0120 176.9767 16 N 4.1628 8.5202 116.2266 56.2455 38.1586 177.4604 17 L 3.8128 7.9636 120.1327 57.3257 41.6527 179.3256 18 A 3.8677 8.0695 121.0458 54.8071 18.1736 179.7053 19 V 3.2685 7.3933 116.7450 66.2036 31.4902 177.8492 20 E 4.0965 7.7342 117.8108 59.7552 29.3450 179.1699 21 E 3.9163 8.4082 119.2521 59.4337 29.6555 178.6940 22 C 4.1556 8.2015 116.9148 62.7407 27.9514 175.9751 23 I 3.7318 7.8370 120.8307 64.5390 36.8235 177.9742 24 F 4.2699 8.2215 120.3974 60.3390 39.2746 175.9213 25 R 4.3138 7.9850 111.4545 55.6414 30.8462 175.7818 26 Q 4.3851 8.2368 117.3141 55.3359 28.9671 173.4729 *28 P 4.1334 0.0000 0.0000 62.3872 32.4186 176.7616 29 A 4.3479 8.3211 123.7991 53.1348 18.0108 178.4248 30 T 4.5515 7.9465 111.8258 63.2701 68.6043 172.4750 31 Q 4.8029 7.7740 117.4151 54.9824 33.3559 174.1876 32 R 4.5973 8.9681 119.0677 54.6481 32.4893 175.7884 33 V 4.8981 8.4604 123.5314 60.9200 34.5250 173.6890 34 L 4.6318 8.7691 129.5292 52.8892 44.9083 174.5915 35 F 5.6517 9.1156 128.2896 56.4367 42.6711 173.4372 36 L 5.1198 8.8667 125.5376 52.6749 45.0247 175.6085 37 W 5.3888 8.2351 119.4434 55.9314 31.9699 173.1272 38 R 4.8742 8.5753 115.5165 55.1966 32.8683 173.2269 39 N 5.3656 8.5823 115.8974 51.3445 42.0964 174.5777 40 A 4.5469 8.4424 124.0941 50.8540 20.3535 176.6444 41 D 4.1799 8.3880 117.2258 55.7415 41.7327 176.9232 42 T 4.7431 7.6179 118.8559 62.1613 73.8180 172.8100 43 V 4.5543 8.6802 126.2918 61.5092 33.5903 174.4804 44 V 4.8081 8.5382 128.6158 61.3430 33.1450 174.6140 45 I 4.7459 8.4167 121.9437 58.9342 40.2530 175.5504 46 G 4.4160 9.4785 111.7338 45.2210 0.0000 174.8997 47 R 3.9165 9.0878 116.6116 58.1201 29.8514 177.4930 48 A 4.6238 7.9610 120.2994 51.8729 19.3015 176.0812 49 Q 4.6600 7.5025 116.4538 55.9276 30.3191 175.8376 50 N 4.4883 8.2060 118.5172 51.2215 40.2034 173.6893 51 P 4.1695 0.0000 0.0000 64.9391 31.2611 178.0012 52 W 4.3687 8.1559 118.2890 58.7547 29.0963 177.9141 53 K 4.2049 8.0311 118.6752 59.0924 32.2383 177.5873 54 E 4.1177 8.2662 118.7604 58.3911 29.7772 176.5157 55 C 5.1802 7.8350 115.1069 57.7834 30.2988 173.9292 56 N 4.7145 8.9654 123.4316 52.8019 37.1628 174.7298 57 T 4.1585 8.3859 115.4586 64.2019 69.9047 176.5221 58 R 4.0998 8.3928 122.1466 59.4069 30.2882 179.7551 59 R 4.6775 8.2392 115.9500 56.1836 30.0097 178.0015 *61 E 4.3724 8.3882 116.8122 56.0502 31.1371 178.1815 62 E 4.0295 8.4302 118.0728 59.2971 29.5576 178.2138 63 D 4.7535 8.6668 115.9643 53.5482 41.3725 175.8134 64 N 4.2077 7.6693 115.4033 54.3521 36.4740 174.2126 65 V 4.2495 7.5837 116.4364 61.5170 33.2453 175.8878 66 R 4.5756 8.4972 126.6489 55.7572 31.8719 174.8653 67 L 5.0526 8.7396 122.6174 53.2744 44.1518 175.3454 68 A 5.1806 9.0149 127.5232 50.1767 22.5413 174.3710 69 R 4.7433 9.3012 122.8908 54.6067 31.4440 176.2627 70 R 4.8080 8.6781 123.7905 55.3606 31.2897 176.4292 71 S 4.8230 8.7829 112.5722 58.6068 64.0390 174.3959 72 S 4.6023 7.7633 116.7373 56.9152 64.7428 174.3471 73 G 3.5250 8.1373 109.7048 45.8233 0.0000 172.6073 74 G 4.0411 9.0250 107.5106 44.5816 0.0000 171.4739 75 G 4.4101 7.9284 105.2264 44.5195 0.0000 173.1269 76 A 4.6775 8.4843 121.3233 51.7981 19.4538 177.7275 77 V 4.5232 8.7553 120.5031 60.9820 35.3445 173.8897 78 F 5.3589 8.8334 127.8911 56.7470 41.5855 174.0740 79 H 4.8768 8.1948 122.7598 54.2258 32.3397 173.2263 80 D 4.7150 8.2893 119.8808 52.4881 41.8286 175.3770 81 L 3.9809 8.4052 117.2706 56.7134 42.0571 177.6996 82 G 3.9245 8.3172 107.1342 44.8706 0.0000 172.3932 83 N 5.3005 7.6380 117.1993 51.5948 40.5528 174.4337 84 T 4.5069 8.5542 119.7948 61.8703 71.6016 173.0899 85 C 4.8209 8.3775 123.3487 57.5204 32.0077 172.9977 86 F 5.1628 7.6572 115.2037 55.5447 41.5646 173.6228 87 T 5.0165 9.0604 117.3681 62.2921 72.5305 173.4265 88 F 5.7500 9.7367 125.1739 54.8163 42.8095 174.2275 *90 A 4.2352 8.3305 119.6445 51.7497 19.9789 177.0074 91 G 4.1205 8.3495 107.3090 44.9125 0.0000 173.7363 92 K 4.5972 8.3545 121.2481 54.6482 33.1485 175.8799 93 P 4.4838 0.0000 0.0000 64.6382 31.9479 177.0416 94 E 4.0565 8.3844 119.8854 59.0020 29.4897 176.2257 95 Y 4.9196 7.6464 117.7920 56.1164 40.8633 173.6936 96 D 4.6238 7.2421 122.3013 51.3594 42.5899 175.9254 97 K 3.2143 7.8167 119.8804 59.0336 32.2606 178.7681 98 T 3.7218 8.2496 110.5232 64.8977 68.4721 176.0007 99 I 3.4787 7.1094 121.4014 64.3671 37.1069 178.1088 100 S 3.3084 7.8463 113.8385 61.7506 62.6527 176.5585 101 T 3.7102 7.3488 119.3247 66.3730 68.1279 176.4627 102 S 3.9977 8.1337 115.1391 61.3089 62.3744 176.1613 103 I 3.6242 7.7703 122.9091 64.4379 36.7650 178.6304 104 V 3.4901 7.5948 118.9755 65.7605 31.2530 177.9911 105 L 3.9319 7.9508 118.8464 57.9944 41.4893 179.3369 106 N 4.3479 8.4342 116.3239 56.0036 38.5016 177.3429 107 A 3.9507 7.9187 122.2271 55.1582 18.5233 179.6938 108 L 3.9867 8.1391 117.7615 57.8305 41.6444 178.9410 109 N 4.4002 8.7190 118.5597 56.1453 38.6508 176.6385 110 A 4.0190 8.3231 120.1281 54.3699 18.4803 178.5248 111 L 4.4163 7.2172 114.4117 54.6106 42.2108 177.4420 112 G 4.0382 8.0912 107.7883 44.9223 0.0000 172.9336 113 V 4.4032 8.0128 120.0235 60.5927 33.7294 174.8934 114 S 4.7147 8.7354 122.8484 57.6080 63.6249 172.7395 115 A 5.0157 8.3969 125.8219 50.1833 22.3204 174.2027 116 E 4.7380 9.3150 118.6859 54.2280 33.6663 174.5663 117 A 4.5075 8.5066 125.8746 52.5564 19.8369 177.8046 118 S 4.0787 9.0229 115.9995 59.3563 64.9622 174.4151 119 G 3.9037 8.6983 116.5852 44.5384 0.0000 171.4252 120 R 4.1730 8.3733 115.8859 57.8602 30.3671 176.9624 121 N 4.9554 8.1746 114.2524 54.1592 41.6818 174.6790 122 D 5.2491 7.7955 116.6579 53.2213 43.3518 175.7917 123 L 5.4242 8.4519 120.0751 53.0722 45.2866 176.1215 124 V 4.8821 8.6909 121.0172 60.2109 35.3753 174.3582 125 V 4.8138 8.5811 116.7675 58.9653 33.6099 175.5076 126 K 4.5425 8.6063 124.9703 56.7007 32.7254 176.6931 127 T 4.6954 8.1214 120.1146 61.3554 72.6248 175.0423 128 V 3.5541 8.6639 123.9217 66.4839 31.4101 176.9641 129 E 4.2437 8.0884 116.1009 56.3777 27.8802 177.1715 130 G 3.9452 8.1570 106.4158 44.5605 0.0000 173.1319 131 D 4.7602 8.3456 118.4263 54.6088 41.2173 176.3578 132 R 4.8462 8.6321 122.8954 53.9732 33.3295 174.9955 133 K 4.5933 9.5012 127.0282 56.6287 33.0971 177.3019 134 V 4.4540 8.9351 119.1052 61.1734 34.2867 175.1691 135 S 5.5036 7.3588 115.0888 57.5494 65.8209 173.0286 136 G 4.6189 8.6628 113.5684 44.9453 0.0000 171.8295 137 S 5.2774 7.9902 111.6125 57.6259 66.7019 173.0313 138 A 4.9438 9.2531 120.3121 50.7882 22.9168 174.6544 139 Y 5.4737 8.8758 120.8181 56.0261 42.4864 174.4587 140 R 4.9334 8.8092 124.0932 54.4976 34.6695 174.0121 141 E 5.1648 8.8771 120.4685 55.1731 33.0662 175.3540 142 T 4.7720 8.2859 118.4868 61.6311 71.9992 174.1436 143 K 4.1373 8.6554 120.6204 59.6235 32.3190 178.0469 144 D 4.6883 7.9124 116.4557 53.7708 40.4554 175.3619 145 R 5.1299 7.5652 115.6926 55.3288 33.0032 173.7355 146 G 4.8563 9.2184 106.9561 44.7234 0.0000 172.6369 147 F 5.2925 8.5216 123.3640 56.9454 43.4160 172.6821 148 H 5.8326 9.5125 126.1723 54.9282 33.1808 171.5850 149 H 5.1895 9.3055 120.3458 54.5658 32.5844 172.8032 150 G 4.0113 6.6821 105.8415 46.2127 0.0000 171.8111 151 T 4.8906 8.2175 109.0848 59.5936 72.3653 172.9489 152 L 5.1709 8.9245 123.0807 53.0694 44.9430 175.8796 153 L 4.5321 8.7755 124.0689 54.3650 42.0076 177.1268 154 L 4.1799 8.4760 124.1542 55.7358 43.2456 179.6882 155 N 4.9613 8.2175 117.9895 51.6731 39.1024 174.0779 156 A 4.2985 8.1289 120.7230 51.9089 19.3248 177.3681 157 D 4.5584 8.6997 122.5345 53.7326 41.3024 176.2747 158 L 4.3368 8.4061 127.1624 56.6141 42.8542 179.0269 159 S 4.1991 8.5384 114.7000 61.2994 62.9971 176.3936 160 R 3.7042 7.8622 121.1954 58.8683 29.5567 178.1414 161 L 3.8459 7.6726 119.1427 58.4430 41.9351 178.8000 162 A 3.9697 7.4469 119.1467 55.2329 17.9934 178.8417 163 N 4.1306 7.6174 112.9345 54.9698 38.7846 175.0737 164 Y 4.7895 7.9320 117.2351 57.4323 40.0308 174.9874 165 L 5.1757 7.3673 119.1384 52.9157 43.8483 176.3588 166 N 4.6746 8.8325 120.3172 52.2257 39.4784 173.6453 167 P 4.1946 0.0000 0.0000 62.7558 32.1323 176.6280 168 D 4.7323 8.3281 121.7205 52.1170 41.9386 176.5698 169 K 3.9019 8.4022 127.0038 59.5126 32.2153 179.1223 170 K 3.5209 7.9171 117.9781 58.9098 31.8039 179.2663 171 K 3.8589 8.0253 119.0713 59.2398 32.2620 178.4431 172 L 4.0641 8.0232 118.4569 57.7220 41.6739 178.7962 173 A 4.1079 8.4710 120.0911 54.7108 18.5702 177.6929 174 A 4.2230 7.5938 118.1158 52.4129 19.4619 176.0085 175 K 4.6224 8.5300 116.5928 57.4201 40.1562 176.5358 176 G 3.7845 8.6010 107.7063 44.7323 0.0000 173.8217 *183 R 4.3741 9.1328 120.8599 55.6105 33.1493 175.0022 184 V 4.9071 7.7346 116.1509 61.4779 33.7895 174.8947 185 T 4.7984 8.6946 122.0481 61.7953 72.6203 173.6588 186 N 4.8008 8.6100 121.3959 52.7034 39.8417 176.6989 187 L 4.0599 8.7352 122.1041 57.8386 41.6193 179.4463 188 T 4.3972 7.9428 113.0415 64.2676 67.4373 175.8603 189 E 4.0739 7.9394 120.3266 58.8019 29.8211 177.7460 190 L 4.3880 7.8707 117.0780 55.7637 42.9603 176.7160 191 L 4.6324 8.0575 121.4766 51.7356 41.2536 175.1013 192 P 4.5082 0.0000 0.0000 64.5482 31.6449 178.3994 193 G 3.8144 7.8999 105.4852 45.6410 0.0000 173.5269 194 I 4.5806 7.8316 121.1278 60.5668 38.7419 175.5521 195 T 4.6829 8.3024 116.9436 59.4963 72.7737 174.6709 196 H 4.0414 8.5959 120.0498 59.6892 29.7847 176.9185 197 E 3.9086 8.2118 119.6786 59.6157 29.2735 179.3352 198 Q 3.9563 8.0511 117.9663 58.8502 28.6662 178.9237 199 V 3.5786 7.7025 119.0906 65.8393 31.4953 177.6548 200 C 3.8983 8.1505 116.9158 62.9683 28.0079 175.7924 201 E 3.8941 8.2806 119.6981 59.6227 29.1685 179.3833 202 A 3.9876 8.2115 120.7188 55.3506 18.3211 179.8271 203 I 3.6765 7.9979 118.4357 64.5993 37.1875 178.5788 204 T 3.6207 7.9303 116.7725 66.7496 68.3030 176.2746 205 E 4.0172 8.0619 119.9413 59.5700 29.4431 179.4626 206 A 4.2589 8.0304 120.5244 54.7326 18.2125 179.5982 207 F 4.3730 8.5156 119.8353 61.6651 39.6640 177.2221 208 F 4.8176 8.8555 118.8450 60.1887 38.5643 177.4770 209 A 4.0623 8.4446 119.2008 55.6300 18.1739 178.8930 210 H 4.0739 7.9501 115.5321 58.8773 30.0493 176.2179 211 Y 4.5469 7.5205 115.7003 56.8281 38.2508 175.9290 212 G 3.9334 8.2910 107.7350 45.9519 0.0000 173.1221 213 E 4.6544 7.7191 117.8148 54.5036 32.8036 173.8103 214 R 3.2473 7.8531 120.1850 54.0683 33.9416 175.1006 215 V 4.4778 6.7669 112.1524 59.4046 35.8375 175.1625 216 E 4.1786 8.5678 120.9327 55.9852 30.0050 176.8925 217 A 4.3691 8.5589 124.9156 52.2347 19.3779 176.8569 218 E 4.2852 9.2225 123.4727 55.7139 30.6128 175.8360 219 I 4.8812 8.3463 126.6939 60.2447 38.3543 175.5829 220 I 4.8515 8.7482 120.5494 59.4058 40.8689 174.4757 221 S 4.0104 8.1163 116.7525 56.6262 65.6795 173.4894 222 P 4.0515 0.0000 0.0000 65.2898 31.1096 177.8869 223 N 4.5230 7.8970 114.4523 54.5559 37.3317 174.6223 224 K 4.6511 7.3415 115.5381 55.1109 35.7357 176.0052 225 T 3.9344 8.4214 117.3978 63.0946 68.6252 173.0206 226 P 4.2755 0.0000 0.0000 62.4138 32.0408 176.6762 227 D 4.6147 8.0329 120.5857 52.8336 39.7240 174.3466 228 L 4.6603 7.4189 121.3347 51.6648 46.1169 174.1370 229 P 4.4187 0.0000 0.0000 63.9451 32.2429 175.6962 230 N 4.2775 9.0156 116.0892 54.5527 36.4123 176.0091 231 F 3.9708 8.0284 120.6250 61.3939 39.3456 176.6352 232 A 4.1033 8.3034 119.8654 55.5322 18.0355 179.0996 233 E 3.8063 8.0702 116.8535 59.6418 29.7150 178.8865 234 T 3.6820 7.6058 115.5396 66.5928 68.5962 176.4003 235 F 4.2506 7.9699 122.6584 61.0316 39.0413 177.0125 236 A 3.6857 7.7464 119.5295 55.0938 18.5098 179.5347 237 R 3.9139 7.9317 116.5599 59.5127 29.9478 179.1039 238 Q 3.9835 8.0213 118.3744 58.7768 29.0964 177.4758 239 S 4.2460 7.6271 112.4638 57.4215 63.9263 174.5083 240 S 4.4163 7.5696 119.2686 57.5704 64.8783 174.4387 241 W 4.3078 8.9667 134.8351 61.1923 30.1640 178.0372 242 E 4.1043 8.6472 116.4089 58.7638 28.9415 178.5458 243 W 4.6143 7.5168 126.5903 60.0193 31.1500 177.8035 244 N 3.9756 8.0724 115.1468 56.5568 38.1057 176.1753 245 F 3.8565 7.8888 117.6913 54.0649 39.5812 178.1552 246 G 3.9734 6.1601 105.5726 45.2761 0.0000 172.5348 247 Q 4.5163 8.4860 117.2361 54.7489 29.6280 176.4172 248 A 4.1144 7.8235 124.1433 51.3302 18.9583 175.8902 249 P 4.4989 0.0000 0.0000 63.0484 31.7791 176.4850 250 A 4.5410 8.0786 124.5526 49.8933 19.1447 174.6633 251 F 5.0602 8.3140 118.3710 55.9465 43.0592 175.3757 252 S 4.5305 9.0199 116.2994 59.6491 64.0807 173.9414 253 H 4.8248 8.0121 117.1898 53.8005 32.2643 173.0099 254 L 4.9425 8.0817 121.6834 54.0126 45.0758 174.6509 255 L 5.2591 9.7059 126.7082 53.1265 44.9266 175.2866 256 D 5.4026 8.9133 121.1637 52.5672 42.7121 173.8148 257 E 4.2654 8.4046 118.6908 55.2708 33.5913 174.1129 258 R 4.2157 7.7624 124.4584 54.4449 31.6487 175.4837 259 F 4.2837 7.9066 124.9902 55.4724 40.6619 177.1779 260 T 3.8352 8.2970 111.6880 64.0621 68.3667 174.9842 261 W 4.6853 8.6339 117.1025 55.4147 28.9183 174.8840 262 G 4.3105 6.3734 107.1811 43.8535 0.0000 172.7403 263 G 4.0462 8.2771 108.8488 45.3872 0.0000 173.0713 264 V 5.1324 8.5508 121.1717 60.9538 35.1785 173.8594 265 E 5.2421 9.4448 127.2904 54.4727 32.6823 174.6141 266 L 5.2387 9.5945 126.8166 53.8763 44.7847 174.4715 267 H 5.4127 9.1815 124.9420 54.3198 31.1545 174.2370 268 F 5.1406 7.9518 115.5060 56.4290 41.7697 172.2889 269 D 5.3730 9.2790 118.9482 52.5083 44.1110 175.5567 270 V 4.9214 8.2617 120.7821 61.2390 34.2495 174.7046 271 E 4.6308 9.1103 126.4527 56.0281 33.7780 175.5184 272 K 3.7282 9.7744 121.6254 57.6600 29.7767 176.0109 273 G 4.0032 8.1457 103.9118 46.2122 0.0000 172.6284 274 H 5.3523 7.8892 116.2246 53.4475 32.2199 172.8233 275 I 4.5622 8.9303 123.8328 61.8907 37.3127 176.8650 276 T 4.4604 8.5930 117.6951 62.3338 69.9554 175.0333 277 R 4.9205 8.1727 115.7923 56.6119 31.9509 173.2075 278 A 4.9610 8.8328 120.5497 51.3660 22.3730 175.4840 279 Q 4.3599 8.8802 121.5102 54.5634 32.9593 173.4841 280 V 4.9208 8.1542 125.6593 61.2016 33.7084 174.5294 281 F 5.1193 9.0846 125.7274 56.3865 42.5183 174.0426 282 T 5.3645 9.1930 114.6575 62.1983 70.7589 172.6130 283 D 5.1232 8.4969 124.0944 53.1118 41.0430 175.6857 284 S 4.6800 8.0741 114.7086 58.4782 62.9445 175.5308 285 L 4.0873 8.8626 125.7495 56.9424 41.6431 176.5120 286 N 4.8241 7.7923 117.0469 51.0609 38.7987 172.5959 287 P 4.4235 0.0000 0.0000 63.5016 31.5310 177.6078 288 A 4.3157 8.7989 122.9575 54.1198 18.3433 177.9037 289 P 2.9933 0.0000 0.0000 65.5225 30.9678 178.5008 290 L 3.9863 7.5905 118.3692 57.5464 41.4660 179.0084 291 E 3.9298 8.3353 118.5263 59.2960 29.4321 179.2123 292 A 4.0656 8.3269 121.1139 54.5774 18.4126 179.4310 293 L 3.8219 7.9930 118.9216 58.3815 40.9143 178.7112 294 A 4.0668 8.1331 120.9052 55.4496 17.9771 179.7730 295 G 3.7223 7.7523 102.5916 48.1250 0.0000 175.6879 296 R 4.2187 7.8743 118.0571 57.4828 30.5936 178.3121 297 L 4.2237 7.8764 118.9675 55.5730 41.7460 176.9073 298 Q 4.2462 7.1266 117.3202 57.2214 28.9089 177.6048 299 G 4.0434 9.1325 111.6798 45.3683 0.0000 173.2205 300 C 4.3351 7.8820 121.2038 58.8190 32.8667 172.5566 301 L 3.9648 8.5556 127.5393 55.8799 42.1666 176.9313 302 Y 4.4983 8.8230 129.1270 56.2251 37.1801 173.5589 303 R 4.1148 7.7026 119.5383 54.3581 33.6110 174.2215 304 A 3.9467 8.5776 128.3310 55.5348 18.5472 179.2838 305 D 4.3953 7.9839 110.7427 55.0253 39.3536 177.7961 *307 L 4.1866 7.9174 121.1282 55.3380 43.6839 179.1450 308 Q 3.9937 8.1606 117.5300 58.7057 28.5833 178.1979 309 Q 3.9481 8.1860 120.7169 59.4321 28.8412 178.5075 310 E 3.9994 7.9877 117.8268 59.3890 29.9967 178.4384 311 C 4.2559 7.8945 118.4971 62.5313 31.6617 175.2984 312 E 4.2093 8.6236 119.5302 58.3857 28.9019 178.7905 313 A 4.0717 7.8767 120.5962 55.0600 18.6332 179.3134 314 L 4.2029 7.7737 116.1160 57.3149 41.6230 179.2654 315 L 4.0028 7.7616 119.6750 58.1569 41.4083 179.8008 316 V 3.6413 7.8761 116.6633 64.7115 31.1460 177.0239 317 D 4.4783 7.8774 116.4533 53.8413 42.5014 176.3364 318 F 4.9915 7.8474 117.8658 55.4812 39.3600 174.1646 319 P 4.2504 0.0000 0.0000 65.7756 31.7949 178.4635 320 E 4.2148 8.1704 115.1197 58.0141 29.8433 177.0930 321 Q 4.9621 8.3615 118.8251 54.4128 29.7377 177.8124 322 E 3.9506 8.2020 119.5896 59.1820 29.6825 177.9475 323 K 3.8265 7.8374 120.0443 59.3075 32.2805 178.0350 324 E 2.7799 7.7003 118.3131 59.4226 29.1702 179.5604 325 L 3.8778 7.4941 118.3581 57.6586 41.5354 179.8653 326 R 3.9387 8.1065 118.1725 59.2138 29.9264 178.9667 327 E 4.1157 8.3103 118.2811 59.4624 29.3235 179.2732 328 L 4.3139 7.7552 117.5742 57.9996 41.8122 179.2407 329 S 4.2553 8.0674 111.3160 61.4363 62.6504 175.6796 330 A 4.2585 8.3231 123.5447 54.8465 18.0370 180.2844 331 W 4.1486 8.6670 124.5921 57.9704 30.1881 177.6450 *333 A 4.1101 8.0504 121.4667 51.6117 19.8620 180.2185 334 G 3.3462 7.9668 103.2165 48.5153 0.0000 174.8161 335 A 4.0639 7.7640 121.7580 53.7813 18.8496 178.9228 336 V 3.6753 7.2024 115.2194 65.9955 31.9099 176.1418 337 R 4.0305 7.4910 121.3488 56.1343 29.6213 176.1056 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 1 S 8.32 4.41 0.00 3.86 4.09 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 2 T 8.82 4.25 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 1.19 0.00 0.00 3 L 8.58 5.32 0.00 1.58 1.79 0.88 0.28 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 4 R 9.26 4.77 0.00 1.71 1.82 0.00 3.25 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 5 L 8.71 5.11 0.00 2.06 1.74 0.80 0.78 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 6 L 9.13 5.25 0.00 1.68 1.48 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.74 5.02 1.96 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 1.19 1.04 0.99 0.00 0.00 8 S 9.27 4.98 0.00 4.50 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 9.15 4.88 0.00 2.68 2.57 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 0.00 10 S 8.24 4.49 0.00 3.47 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.84 5.11 0.00 3.07 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 12 D 8.31 4.78 0.00 2.87 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 13 P 0.00 4.66 0.00 1.74 1.93 0.00 3.16 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.09 0.00 14 W 7.89 4.38 0.00 3.91 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 15 F 9.61 3.88 0.00 2.92 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 16 N 8.52 4.16 0.00 2.64 2.01 0.00 0.00 7.14 7.58 0.00 0.00 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 L 7.96 3.81 0.00 1.74 1.69 0.96 0.67 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 18 A 8.07 3.87 1.21 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 19 V 7.39 3.27 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 -0.14 0.00 0.00 0.03 0.00 0.00 20 E 7.73 4.10 0.00 2.26 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 0.00 2.60 2.31 0.00 21 E 8.41 3.92 0.00 2.13 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 2.19 2.35 0.00 22 C 8.20 4.16 0.00 3.13 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 23 I 7.84 3.73 2.25 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.47 1.15 0.00 0.00 24 F 8.22 4.27 0.00 2.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.98 4.31 0.00 1.83 1.85 0.00 3.08 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 26 Q 8.24 4.39 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 *28 P 0.00 4.13 0.00 2.05 2.00 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 29 A 8.32 4.35 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.95 4.55 4.23 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 1.20 0.00 0.00 31 Q 7.77 4.80 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 32 R 8.97 4.60 0.00 1.45 1.77 0.00 3.00 0.00 0.00 2.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.42 0.00 33 V 8.46 4.90 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 0.97 0.00 0.00 0.95 0.00 0.00 34 L 8.77 4.63 0.00 0.27 0.26 -0.28 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.12 5.65 0.00 2.94 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 36 L 8.87 5.12 0.00 1.55 1.39 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.24 5.39 0.00 3.33 2.61 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 0.00 0.00 0.00 0.00 38 R 8.58 4.87 0.00 1.75 1.83 0.00 2.73 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 39 N 8.58 5.37 0.00 2.56 2.60 0.00 0.00 6.71 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 40 A 8.44 4.55 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 41 D 8.39 4.18 0.00 2.57 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 42 T 7.62 4.74 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 0.91 0.00 0.00 43 V 8.68 4.55 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 1.02 0.00 0.00 1.08 0.00 0.00 44 V 8.54 4.81 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 0.96 0.00 0.00 0.82 0.00 0.00 45 I 8.42 4.75 1.88 0.00 0.00 0.54 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 0.31 0.77 0.00 0.00 46 G 9.48 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.09 3.92 0.00 2.09 2.41 0.00 3.23 0.00 0.00 3.60 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 48 A 7.96 4.62 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 49 Q 7.50 4.66 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 50 N 8.21 4.49 0.00 1.44 2.20 0.00 0.00 6.70 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 51 P 0.00 4.17 0.00 1.66 1.80 0.00 3.55 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 1.30 1.48 0.00 52 W 8.16 4.37 0.00 3.36 3.33 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 53 K 8.03 4.20 0.00 1.75 1.91 0.00 2.01 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.54 7.81 54 E 8.27 4.12 0.00 1.98 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 2.40 2.38 0.00 55 C 7.83 5.18 0.00 2.98 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 56 N 8.97 4.71 0.00 2.67 2.86 0.00 0.00 7.20 7.67 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 57 T 8.39 4.16 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 1.15 0.00 0.00 58 R 8.39 4.10 0.00 2.00 2.06 0.00 3.39 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 59 R 8.24 4.68 0.00 2.11 2.09 0.00 3.28 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 1.82 1.65 0.00 *61 E 8.39 4.37 0.00 2.33 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 2.40 2.61 0.00 62 E 8.43 4.03 0.00 2.28 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 0.00 2.38 2.49 0.00 63 D 8.67 4.75 0.00 2.87 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 64 N 7.67 4.21 0.00 2.96 2.95 0.00 0.00 6.77 7.09 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 65 V 7.58 4.25 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 0.58 0.00 0.00 0.69 0.00 0.00 66 R 8.50 4.58 0.00 1.71 1.76 0.00 2.62 0.00 0.00 2.81 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 67 L 8.74 5.05 0.00 1.20 0.85 0.65 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.01 5.18 1.09 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 0.00 0.00 69 R 9.30 4.74 0.00 1.36 0.93 0.00 2.21 0.00 0.00 2.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.25 0.00 70 R 8.68 4.81 0.00 1.92 1.98 0.00 3.17 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 71 S 8.78 4.82 0.00 4.04 4.07 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 72 S 7.76 4.60 0.00 4.05 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 73 G 8.14 3.53 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 0.00 0.00 0.00 74 G 9.02 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.93 4.41 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 0.00 76 A 8.48 4.68 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 77 V 8.76 4.52 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 0.94 0.00 0.00 0.94 0.00 0.00 78 F 8.83 5.36 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.19 4.88 0.00 2.74 2.94 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.29 4.72 0.00 2.78 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 81 L 8.41 3.98 0.00 1.48 1.50 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.32 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 83 N 7.64 5.30 0.00 2.59 2.51 0.00 0.00 6.72 7.55 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 84 T 8.55 4.51 4.18 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 1.12 0.00 0.00 85 C 8.38 4.82 0.00 1.23 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 86 F 7.66 5.16 0.00 2.71 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 87 T 9.06 5.02 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 0.89 0.00 0.00 88 F 9.74 5.75 0.00 3.15 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 *90 A 8.33 4.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.35 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 0.00 0.00 0.00 92 K 8.35 4.60 0.00 1.85 1.81 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.53 7.81 93 P 0.00 4.48 0.00 2.22 2.22 0.00 3.85 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 2.03 1.98 0.00 94 E 8.38 4.06 0.00 2.04 2.31 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 2.53 2.50 0.00 95 Y 7.65 4.92 0.00 2.98 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 96 D 7.24 4.62 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.82 3.21 0.00 0.79 1.20 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.98 0.60 7.81 98 T 8.25 3.72 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 1.08 0.00 0.00 99 I 7.11 3.48 1.92 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 1.46 0.68 0.73 0.00 0.00 100 S 7.85 3.31 0.00 2.72 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.35 3.71 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 1.13 0.00 0.00 102 S 8.13 4.00 0.00 3.79 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 0.00 103 I 7.77 3.62 1.79 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 1.11 0.00 0.00 104 V 7.59 3.49 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 0.91 0.00 0.00 0.35 0.00 0.00 105 L 7.95 3.93 0.00 1.80 1.66 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.43 4.35 0.00 2.86 2.85 0.00 0.00 6.93 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.92 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.99 0.00 1.85 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.72 4.40 0.00 2.70 2.99 0.00 0.00 6.63 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 0.00 110 A 8.32 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.22 4.42 0.00 1.87 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.09 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.01 4.40 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 0.97 0.00 0.00 0.92 0.00 0.00 114 S 8.74 4.71 0.00 3.92 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 0.00 115 A 8.40 5.02 1.21 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 0.00 116 E 9.32 4.74 0.00 1.93 1.71 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 2.18 2.24 0.00 117 A 8.51 4.51 1.20 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 0.00 118 S 9.02 4.08 0.00 3.88 3.71 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 0.00 119 G 8.70 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 0.00 120 R 8.37 4.17 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 121 N 8.17 4.96 0.00 2.65 2.99 0.00 0.00 7.12 8.08 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 0.00 122 D 7.80 5.25 0.00 2.92 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 5.42 0.00 1.62 1.52 0.92 0.79 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 0.00 124 V 8.69 4.88 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 0.87 0.00 0.00 0.97 0.00 0.00 125 V 8.58 4.81 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 0.91 0.00 0.00 0.92 0.00 0.00 126 K 8.61 4.54 0.00 1.63 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 127 T 8.12 4.70 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 1.24 0.00 0.00 128 V 8.66 3.55 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 0.79 0.00 0.00 0.93 0.00 0.00 129 E 8.09 4.24 0.00 1.97 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 2.36 0.00 130 G 8.16 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 0.00 131 D 8.35 4.76 0.00 2.66 2.63 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 0.00 132 R 8.63 4.85 0.00 1.69 1.79 0.00 3.28 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 133 K 9.50 4.59 0.00 1.87 1.68 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.57 7.81 134 V 8.94 4.45 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 0.68 0.00 0.00 0.97 0.00 0.00 135 S 7.36 5.50 0.00 3.92 3.71 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 0.00 136 G 8.66 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.99 5.28 0.00 4.08 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 0.00 138 A 9.25 4.94 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 0.00 139 Y 8.88 5.47 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.81 4.93 0.00 1.85 1.87 0.00 3.32 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 141 E 8.88 5.16 0.00 1.88 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 2.26 2.40 0.00 142 T 8.29 4.77 4.23 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 1.17 0.00 0.00 143 K 8.66 4.14 0.00 1.71 1.85 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 144 D 7.91 4.69 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.57 5.13 0.00 2.04 2.02 0.00 2.81 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 146 G 9.22 4.86 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 0.00 147 F 8.52 5.29 0.00 3.24 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 0.00 148 H 9.51 5.83 0.00 3.83 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 9.31 5.19 0.00 3.27 3.10 0.00 5.37 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 6.68 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 0.00 0.00 0.00 151 T 8.22 4.89 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 0.89 0.00 0.00 152 L 8.92 5.17 0.00 1.67 1.57 0.93 0.78 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 0.00 153 L 8.78 4.53 0.00 1.69 1.60 0.90 0.55 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 0.00 154 L 8.48 4.18 0.00 1.78 1.67 0.89 0.52 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 0.00 155 N 8.22 4.96 0.00 2.70 2.66 0.00 0.00 7.20 7.89 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 0.00 156 A 8.13 4.30 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.70 4.56 0.00 2.71 2.63 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 0.00 158 L 8.41 4.34 0.00 1.65 1.69 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.54 4.20 0.00 3.97 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 0.00 160 R 7.86 3.70 0.00 1.12 1.34 0.00 3.32 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 161 L 7.67 3.85 0.00 1.79 1.65 1.09 1.34 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 0.00 162 A 7.45 3.97 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 0.00 163 N 7.62 4.13 0.00 1.55 2.24 0.00 0.00 6.81 7.42 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 0.00 164 Y 7.93 4.79 0.00 2.95 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 0.00 165 L 7.37 5.18 0.00 1.63 1.57 0.93 1.02 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 0.00 166 N 8.83 4.67 0.00 2.74 2.76 0.00 0.00 7.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.19 0.00 2.02 1.97 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 168 D 8.33 4.73 0.00 2.65 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 0.00 169 K 8.40 3.90 0.00 1.85 1.83 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.59 7.81 170 K 7.92 3.52 0.00 1.68 1.72 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 171 K 8.03 3.86 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.47 7.81 172 L 8.02 4.06 0.00 1.72 1.68 0.90 0.70 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 0.00 173 A 8.47 4.11 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 0.00 174 A 7.59 4.22 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.53 4.62 0.00 1.65 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.41 7.81 176 G 8.60 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 *183 R 9.13 4.37 0.00 1.93 1.97 0.00 3.14 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 184 V 7.73 4.91 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 0.86 0.00 0.00 0.92 0.00 0.00 185 T 8.69 4.80 4.23 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 1.20 0.00 0.00 186 N 8.61 4.80 0.00 2.77 2.91 0.00 0.00 7.01 6.74 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 0.00 187 L 8.74 4.06 0.00 1.66 1.70 0.90 0.45 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 0.00 188 T 7.94 4.40 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 1.20 0.00 0.00 189 E 7.94 4.07 0.00 2.24 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 2.41 0.00 190 L 7.87 4.39 0.00 1.74 1.70 0.91 0.89 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 0.00 191 L 8.06 4.63 0.00 1.60 1.57 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.51 0.00 2.17 2.18 0.00 3.36 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 193 G 7.90 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 0.00 0.00 0.00 194 I 7.83 4.58 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.48 0.93 0.00 0.00 195 T 8.30 4.68 4.40 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 1.25 0.00 0.00 196 H 8.60 4.04 0.00 3.24 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.21 3.91 0.00 2.10 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 2.43 2.51 0.00 198 Q 8.05 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 199 V 7.70 3.58 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 1.07 0.00 0.00 0.95 0.00 0.00 200 C 8.15 3.90 0.00 3.06 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 0.00 201 E 8.28 3.89 0.00 2.15 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 2.34 2.68 0.00 202 A 8.21 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 8.00 3.68 1.77 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 1.44 0.83 0.86 0.00 0.00 204 T 7.93 3.62 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 0.55 0.00 0.00 205 E 8.06 4.02 0.00 2.15 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 0.00 2.53 2.52 0.00 206 A 8.03 4.26 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 0.00 207 F 8.52 4.37 0.00 3.19 3.20 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 0.00 208 F 8.86 4.82 0.00 3.07 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 0.00 209 A 8.44 4.06 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 0.00 210 H 7.95 4.07 0.00 3.05 3.21 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 Y 7.52 4.55 0.00 2.84 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 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8.75 4.85 1.94 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 1.51 1.56 0.86 0.00 0.00 221 S 8.12 4.01 0.00 3.54 3.77 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 0.00 222 P 0.00 4.05 0.00 2.01 2.29 0.00 3.26 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.30 0.00 223 N 7.90 4.52 0.00 2.81 2.92 0.00 0.00 5.79 7.13 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 0.00 224 K 7.34 4.65 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.53 7.81 225 T 8.42 3.93 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 1.27 0.00 0.00 226 P 0.00 4.28 0.00 1.45 1.64 0.00 2.58 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.76 0.00 227 D 8.03 4.61 0.00 2.57 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 0.00 228 L 7.42 4.66 0.00 1.61 1.49 0.55 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 7.93 3.91 0.00 1.83 1.73 0.00 2.98 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 238 Q 8.02 3.98 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.11 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 239 S 7.63 4.25 0.00 3.74 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 0.00 240 S 7.57 4.42 0.00 4.15 4.23 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 0.00 241 W 8.97 4.31 0.00 3.45 3.33 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 0.00 242 E 8.65 4.10 0.00 2.18 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 2.78 2.54 0.00 243 W 7.52 4.61 0.00 3.45 3.33 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 0.00 244 N 8.07 3.98 0.00 2.61 2.64 0.00 0.00 7.05 7.03 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 0.00 245 F 7.89 3.86 0.00 1.51 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 0.00 0.00 0.00 246 G 6.16 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 0.00 247 Q 8.49 4.52 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 248 A 7.82 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 P 0.00 4.50 0.00 2.43 2.52 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.73 0.00 250 A 8.08 4.54 1.09 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 0.00 0.00 251 F 8.31 5.06 0.00 3.00 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 0.00 252 S 9.02 4.53 0.00 3.80 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 0.00 253 H 8.01 4.82 0.00 1.45 2.34 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 L 8.08 4.94 0.00 1.55 1.48 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 255 L 9.71 5.26 0.00 1.82 1.77 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 256 D 8.91 5.40 0.00 2.70 2.67 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 0.00 0.00 0.00 257 E 8.40 4.27 0.00 1.16 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 1.47 1.47 0.00 258 R 7.76 4.22 0.00 1.51 1.50 0.00 3.20 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 259 F 7.91 4.28 0.00 1.51 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 0.00 0.00 0.00 0.00 260 T 8.30 3.84 4.29 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 1.23 0.00 0.00 261 W 8.63 4.69 0.00 3.60 3.36 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 0.00 262 G 6.37 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 0.00 0.00 0.00 0.00 263 G 8.28 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 0.00 264 V 8.55 5.13 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 1.17 0.00 0.00 1.01 0.00 0.00 265 E 9.44 5.24 0.00 2.26 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 2.30 2.32 0.00 266 L 9.59 5.24 0.00 1.94 2.03 0.96 0.80 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 0.00 267 H 9.18 5.41 0.00 2.22 2.84 0.00 5.71 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 F 7.95 5.14 0.00 3.15 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 0.00 269 D 9.28 5.37 0.00 2.74 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 0.00 270 V 8.26 4.92 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 0.75 0.00 0.00 0.25 0.00 0.00 271 E 9.11 4.63 0.00 2.03 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 2.23 2.28 0.00 272 K 9.77 3.73 0.00 1.90 1.88 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.44 7.81 273 G 8.15 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 0.00 274 H 7.89 5.35 0.00 3.27 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 I 8.93 4.56 2.06 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 1.23 0.76 1.08 0.00 0.00 276 T 8.59 4.46 4.29 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 1.25 0.00 0.00 277 R 8.17 4.92 0.00 2.14 2.14 0.00 3.20 0.00 0.00 3.46 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 278 A 8.83 4.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 Q 8.88 4.36 0.00 2.08 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 1.64 2.14 0.00 280 V 8.15 4.92 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 0.94 0.00 0.00 0.94 0.00 0.00 281 F 9.08 5.12 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 T 9.19 5.36 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 1.29 0.00 0.00 283 D 8.50 5.12 0.00 2.76 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 0.00 284 S 8.07 4.68 0.00 4.29 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 0.00 285 L 8.86 4.09 0.00 1.74 1.77 0.98 1.00 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 0.00 286 N 7.79 4.82 0.00 2.65 2.70 0.00 0.00 7.00 7.69 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 0.00 287 P 0.00 4.42 0.00 2.22 2.10 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.37 0.00 288 A 8.80 4.32 1.55 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 0.00 0.00 0.00 289 P 0.00 2.99 0.00 1.65 0.86 0.00 3.54 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 290 L 7.59 3.99 0.00 1.85 1.77 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 291 E 8.34 3.93 0.00 2.16 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 2.32 2.40 0.00 292 A 8.33 4.07 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 0.00 293 L 7.99 3.82 0.00 1.85 1.84 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 294 A 8.13 4.07 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 0.00 295 G 7.75 3.72 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 0.00 296 R 7.87 4.22 0.00 1.83 2.01 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 1.69 1.89 0.00 297 L 7.88 4.22 0.00 1.82 1.66 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 298 Q 7.13 4.25 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.57 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 299 G 9.13 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 300 C 7.88 4.34 0.00 3.11 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 0.00 301 L 8.56 3.96 0.00 1.64 1.55 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 302 Y 8.82 4.50 0.00 2.91 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 0.00 303 R 7.70 4.11 0.00 1.66 1.70 0.00 3.27 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 304 A 8.58 3.95 1.20 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 0.00 305 D 7.98 4.40 0.00 2.80 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 *307 L 7.92 4.19 0.00 1.61 1.66 0.56 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 308 Q 8.16 3.99 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 309 Q 8.19 3.95 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 310 E 7.99 4.00 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 2.30 0.00 311 C 7.89 4.26 0.00 3.04 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 0.00 312 E 8.62 4.21 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 2.33 2.39 0.00 313 A 7.88 4.07 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 0.00 314 L 7.77 4.20 0.00 1.98 2.05 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 315 L 7.76 4.00 0.00 1.67 1.77 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 316 V 7.88 3.64 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 0.77 0.00 0.00 0.91 0.00 0.00 317 D 7.88 4.48 0.00 2.36 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 0.00 318 F 7.85 4.99 0.00 3.01 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 0.00 319 P 0.00 4.25 0.00 2.04 2.12 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 320 E 8.17 4.21 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 2.33 2.30 0.00 321 Q 8.36 4.96 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.81 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 322 E 8.20 3.95 0.00 2.17 2.32 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 2.34 2.33 0.00 323 K 7.84 3.83 0.00 1.81 1.74 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.64 7.81 324 E 7.70 2.78 0.00 1.58 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 1.47 1.47 0.00 325 L 7.49 3.88 0.00 1.61 1.64 0.91 0.80 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 0.00 326 R 8.11 3.94 0.00 2.17 2.00 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 327 E 8.31 4.12 0.00 2.42 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 2.56 2.50 0.00 328 L 7.76 4.31 0.00 1.82 1.92 0.83 1.06 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 0.00 329 S 8.07 4.26 0.00 3.88 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 0.00 330 A 8.32 4.26 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 0.00 331 W 8.67 4.15 0.00 3.65 3.77 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 *333 A 8.05 4.11 1.38 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 0.00 0.00 0.00 334 G 7.97 3.35 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 0.00 335 A 7.76 4.06 0.90 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 0.00 336 V 7.20 3.68 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 0.06 0.00 0.00 0.58 0.00 0.00 337 R 7.49 4.03 0.00 1.80 1.80 0.00 3.26 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 1.58 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.