NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5140 8.4249 117.7282 52.4215 40.2130 175.5104 4 Y 4.1811 6.7868 117.0906 60.0592 38.5396 175.2532 5 Y 4.7581 7.5908 115.9883 58.9260 39.4767 176.6882 6 S 4.3693 8.0273 113.8402 59.9114 63.3638 174.7690 7 S 4.4835 8.0349 114.7338 58.6638 63.3111 173.4412 8 N 4.9232 7.8167 118.9739 50.9662 40.1334 173.1177 9 P 4.3091 0.0000 0.0000 62.7654 32.1799 175.4229 10 T 4.4550 7.5187 108.3174 59.7559 71.3793 173.3863 11 F 4.7693 8.0340 119.3562 55.4640 43.3282 174.3980 12 Y 4.3924 8.4374 121.4063 58.7524 39.1649 175.2893 13 L 4.8986 9.0788 123.8961 53.0989 43.8517 176.3580 14 G 3.8980 9.0801 112.3034 45.6378 0.0000 171.1033 15 I 5.2465 8.2418 120.5300 59.3837 40.6557 174.6994 16 D 5.2002 8.8907 124.9969 52.6358 44.7467 174.3504 17 C 5.2468 8.6422 119.7056 58.0973 30.7311 173.3366 18 I 4.0634 8.8955 125.9000 60.2208 38.4282 175.0412 19 I 4.8131 8.0463 128.8693 59.6206 39.3889 174.8260 20 F 5.2692 9.5469 127.4409 56.7687 40.7221 175.5615 21 G 4.4162 9.5344 108.9093 44.5425 0.0000 170.9053 22 F 5.4350 8.3483 121.1876 56.3080 42.3434 173.4872 23 N 4.2397 8.5594 123.3828 53.3189 42.1664 173.8306 24 E 3.6148 9.1892 123.3181 57.5488 27.1046 175.6497 25 G 4.3760 7.7891 102.9162 45.1676 0.0000 173.5587 26 E 4.7343 7.6433 118.8487 54.2118 33.2010 174.7148 27 I 4.9223 8.2092 122.8718 60.7853 39.1128 174.9797 28 S 5.2631 9.1327 121.0244 56.9600 67.6648 172.8332 29 L 5.1798 8.8060 121.2666 53.0964 44.4473 175.6283 30 L 3.8795 7.8972 124.6367 54.0442 42.3097 175.8586 31 L 5.0165 8.8111 126.4037 52.8901 45.7987 175.4992 32 L 4.5980 9.0823 121.7356 53.6830 43.6037 175.9846 33 K 3.8078 8.1853 125.5855 54.2157 32.2147 175.9299 34 R 3.7622 8.1232 127.3586 56.1846 30.3481 176.6761 35 N 4.8331 8.7353 120.4128 52.1175 37.7721 174.2226 36 F 4.9306 6.9670 111.6909 55.5240 40.9785 173.5195 37 E 4.1705 8.6022 122.6059 54.7942 30.3483 174.6628 38 P 4.3217 0.0000 0.0000 63.2362 32.5267 172.1492 39 A 4.0079 7.5553 128.2324 51.3613 19.2066 178.8741 *41 G 3.7968 8.5078 107.6369 45.5960 0.0000 172.6967 42 E 4.5262 7.8986 120.4773 55.0314 31.6911 175.6445 43 W 4.8118 8.5689 122.0943 56.6141 31.0237 175.5129 44 S 4.9185 9.0004 117.1217 55.9994 66.5365 177.4154 45 L 4.4935 8.7337 125.2137 54.2369 40.4339 180.4319 *47 G 3.6857 8.6285 119.2731 46.4606 0.0000 170.5751 48 G 4.0654 7.4801 102.6737 46.2827 0.0000 172.3359 49 F 5.4209 8.8735 117.2158 55.2766 43.0384 175.3178 50 V 3.7913 9.2480 123.1668 63.4580 31.6188 175.7909 51 Q 4.6775 9.0360 126.5186 54.0337 30.7464 176.9711 52 K 4.0403 8.5115 118.8599 59.4568 32.1667 178.0074 53 D 4.7782 8.0345 116.0660 53.1193 39.6454 175.6136 54 E 4.7127 7.6954 116.7712 53.6445 32.9154 176.0116 55 S 4.3860 8.4015 116.0283 58.1904 65.1114 175.5941 56 V 3.6406 8.2589 121.5103 66.2399 31.3200 177.7981 57 D 4.2015 8.0917 118.1842 57.5713 40.7638 178.4319 58 D 4.3218 8.1177 118.9673 56.9340 40.7708 178.5766 59 A 4.0589 7.8989 121.0459 55.0413 18.3670 179.4430 60 A 3.6400 7.3723 119.2311 55.2089 18.2471 179.8593 61 K 3.7686 7.7521 116.9166 59.6196 32.0591 179.3646 62 R 3.8020 8.3512 119.0755 59.4524 29.8056 178.4164 63 V 3.5324 8.2158 118.2416 66.0339 31.4174 177.7517 64 L 3.8907 7.9766 119.4342 58.0880 41.9838 178.7213 65 A 4.0451 8.1448 120.7567 55.3726 18.1238 179.0802 66 E 3.8632 8.2012 116.1476 59.8431 29.6366 179.2082 67 L 3.9597 7.4252 118.6255 56.7249 42.6068 177.2056 68 T 4.4639 7.9064 106.4483 60.1669 70.2013 175.5336 69 G 3.9205 8.6690 110.0439 45.7848 0.0000 173.5058 70 L 4.5306 7.6112 119.2865 53.6465 42.7534 175.8325 71 E 4.7269 8.0965 120.4149 55.0151 33.5157 174.6270 72 N 4.1621 8.5346 114.0900 54.4317 36.0764 174.8501 73 V 4.2417 7.5218 115.7872 61.4406 33.4826 174.5428 74 Y 3.9618 8.3329 127.2765 57.7797 40.2019 174.3204 *76 E 4.1838 8.5492 122.3980 55.9228 31.4415 174.7385 77 Q 3.3076 8.3209 124.4369 56.0466 29.1955 175.6222 78 V 4.0011 8.7570 127.2873 63.3817 32.7559 176.0370 79 G 4.0422 7.3774 106.0894 46.1494 0.0000 170.4455 80 A 5.1734 7.9379 121.7674 50.4143 20.6783 176.5871 81 F 4.4356 9.6711 122.4296 55.3106 41.0019 176.8210 82 G 4.2633 8.4286 113.7615 44.8429 0.0000 172.0494 83 A 4.1395 8.1112 122.4346 51.5630 19.2182 179.4981 84 I 3.6809 8.5490 123.0182 64.5487 37.2387 177.0313 85 D 4.8263 7.9005 116.4412 53.9035 40.8605 177.4758 86 R 3.9296 7.6809 119.0202 58.2070 29.7533 176.1365 87 D 4.0067 7.6888 118.5334 51.0649 42.2504 174.6088 88 P 4.3772 0.0000 0.0000 64.9539 31.8112 177.7385 89 G 3.7574 7.7586 107.6666 47.6279 0.0000 173.3013 90 E 4.6448 7.2982 116.3377 54.6404 32.8254 174.4854 91 R 4.0908 8.8429 124.9065 56.3768 30.3074 176.2084 92 V 4.7906 8.2012 124.7948 61.4429 34.6443 174.1721 93 V 4.3265 8.6285 128.1440 61.9240 33.0823 174.3221 94 S 5.1994 9.0267 122.7696 56.6047 65.4539 172.5035 95 I 4.9685 8.6960 127.7090 60.0642 38.5749 174.6732 96 A 5.1552 8.9967 129.5947 51.1351 20.9576 175.4382 97 Y 5.1483 9.2582 117.7928 56.2740 42.5154 174.1081 98 Y 5.6563 8.8464 119.1785 55.4411 41.0835 174.8323 99 A 5.1847 9.4881 121.5046 50.3844 23.1792 174.9576 100 L 5.2748 9.0532 121.0670 53.0935 43.5392 176.1246 101 I 4.7819 8.4913 117.0093 58.6866 41.2363 175.1187 102 N 4.5670 8.7488 121.7196 52.8690 38.5558 175.5201 103 I 3.7689 8.4035 127.0545 63.7464 38.0881 176.5001 104 N 4.4257 9.5870 117.8744 54.7544 38.6084 174.6113 105 E 4.5190 8.1863 118.0615 55.1404 29.9544 174.4571 106 Y 4.6553 7.4424 119.7403 54.8283 40.4677 174.4998 107 D 4.5542 9.0431 120.9071 53.7327 41.4830 177.0034 108 R 4.1380 8.4654 127.7258 59.1414 30.0470 178.9403 109 E 3.9612 8.2511 118.0486 59.4711 29.4139 179.0592 110 L 4.0294 7.8037 117.0565 58.0018 41.9970 179.8340 111 V 3.7315 7.9796 112.3189 64.3612 31.4946 178.3725 112 Q 3.9327 8.2750 117.9963 59.1352 28.4129 179.1653 113 K 4.1023 8.1740 118.7386 58.5403 32.3463 177.4474 114 H 4.5513 7.9157 114.2450 54.3930 29.9082 173.8055 115 N 3.8249 7.8540 118.9815 54.4867 37.7623 172.9351 116 A 5.0873 7.3444 116.4405 50.8186 21.7892 177.0259 117 Y 4.9064 8.7302 115.8937 56.4361 43.0760 174.3832 118 W 5.1868 9.0213 123.0852 56.2082 30.4246 176.2444 119 V 4.5251 8.9256 123.6038 59.4800 34.6871 174.1985 120 N 4.6885 9.0429 122.0990 54.3680 39.1021 175.6142 121 I 3.8286 8.6885 119.1273 63.2741 37.9244 176.4429 122 N 4.8205 8.2043 117.0482 53.3644 38.6500 174.8452 123 E 4.7235 7.8175 118.3389 55.5698 30.9129 175.8247 124 L 3.9043 7.8986 118.4871 53.7197 42.3530 175.7174 125 P 4.2088 0.0000 0.0000 61.6611 32.0946 175.5314 126 A 4.0154 8.2316 121.6321 52.2220 18.3606 177.1982 127 L 4.6322 8.2176 123.5485 53.6705 43.2549 176.9764 128 I 4.0387 7.7129 115.4173 60.2838 39.9274 177.6921 129 F 3.9024 8.0524 120.6685 59.3854 38.0459 176.2921 130 D 5.0348 8.7009 127.1516 54.3593 39.3590 177.7142 131 H 4.0620 8.2341 119.8941 59.1590 29.1296 175.2794 132 P 4.3377 0.0000 0.0000 65.5800 31.6275 178.3966 133 E 3.9456 7.8967 116.7155 56.6957 29.0940 178.4137 *135 V 4.0038 7.8899 118.9897 62.5063 33.4722 177.2149 136 D 4.4076 8.0126 119.5159 57.1270 40.3513 178.6973 137 K 4.4629 8.1552 119.9681 59.0008 32.3611 178.3374 138 A 4.2982 8.1016 119.4543 55.3329 18.3744 179.3360 139 R 4.1229 7.9790 115.5187 58.9054 31.7407 178.9317 140 E 4.2271 7.7505 118.9013 56.2577 24.1138 177.0322 *143 K 4.1648 7.6991 123.5691 56.3799 34.7368 177.5694 144 Q 4.1153 8.0846 119.2295 59.0786 28.9395 177.8972 145 K 4.0102 8.0714 120.0350 59.3763 32.1742 177.9785 146 A 4.3423 7.4404 119.3436 53.6271 18.9142 178.4648 147 S 4.9994 8.4533 114.1107 57.9118 63.6877 175.6277 148 V 4.3840 7.8993 119.4058 61.4287 32.9723 174.9983 149 E 4.5799 8.2656 121.5190 53.0130 32.7061 174.1483 150 P 3.8549 0.0000 0.0000 62.5409 31.5590 178.7290 151 I 3.2464 7.4653 123.0179 65.3602 36.9317 177.8270 152 G 3.1594 7.6336 105.8929 47.6546 0.0000 175.1986 153 F 4.0079 7.3284 118.8559 59.4213 38.5666 177.0576 154 N 4.4474 7.8650 115.6942 55.4342 38.4228 175.8297 155 L 4.4565 7.9436 118.9913 55.3951 42.2520 176.5142 156 L 4.8117 6.9391 118.5888 51.6582 43.9821 174.3387 157 P 4.5823 0.0000 0.0000 62.3628 31.9291 176.2704 158 K 4.1467 8.8811 120.2423 59.1166 32.1422 176.6594 159 L 5.1131 7.8948 117.6455 52.9855 43.3330 176.1208 160 F 5.3611 8.4000 117.8558 55.6353 42.0856 173.7806 161 T 5.0823 9.3124 110.4116 59.9559 70.6911 175.9276 162 L 4.1194 8.6630 122.6440 58.0469 41.6629 179.9800 163 S 4.1432 8.1230 113.7791 61.4513 63.0515 176.4571 164 Q 4.1375 8.2717 121.8345 58.4900 28.4240 178.2686 165 L 3.7961 8.0869 121.5348 58.0386 42.2096 178.7010 166 Q 2.9572 8.2148 119.6757 59.1096 29.0672 178.0954 167 S 4.2557 7.9567 113.9865 61.3719 62.2663 175.9933 168 L 2.6524 7.5771 122.7764 58.0359 41.7050 178.6935 169 Y 3.2852 7.6662 116.4780 60.4521 37.6687 178.0307 170 E 4.0161 8.4694 120.0396 59.3537 29.3172 179.2469 171 A 3.9996 7.6785 119.7198 55.1051 18.5224 179.4263 172 I 3.6297 7.3426 117.5182 64.0498 37.0487 177.3402 173 Y 4.8394 7.7945 115.2511 56.7229 37.9332 176.3754 174 G 3.9308 7.7459 107.6963 45.8809 0.0000 173.4898 175 E 4.8053 7.7998 113.7468 55.1290 32.9710 174.2929 176 P 4.7743 0.0000 0.0000 62.4718 33.8118 173.3712 *178 D 4.3101 7.9136 118.9839 53.8812 42.2722 175.3331 179 K 3.9755 8.6955 127.4376 59.6329 32.2859 178.6324 180 R 3.9069 7.8792 118.9183 59.5373 29.9689 178.0708 181 N 4.4909 8.3527 115.4178 54.8724 37.1991 176.8586 182 F 4.0397 7.9919 124.0097 61.4707 39.4169 176.9043 183 R 3.8691 8.1726 117.7579 59.3019 29.3627 178.9185 184 K 3.8722 7.7794 119.1939 59.6298 32.0244 179.0199 185 R 3.7822 7.2190 116.9895 59.2767 29.9602 178.9456 186 V 3.4728 6.8912 116.4536 65.7328 31.5601 177.7765 187 A 4.1258 7.6361 119.8818 53.5038 19.2622 177.5998 188 E 4.4424 7.3415 114.9806 55.6635 29.0840 176.1287 *190 D 5.1454 7.9711 111.4221 54.9715 42.8760 176.9292 191 F 4.5064 7.1697 113.7881 57.7572 39.6589 174.7525 192 I 4.6972 7.3152 121.7573 60.5055 38.3615 174.0389 193 E 4.8767 9.1385 128.4608 54.1221 31.2904 175.9797 194 K 3.2494 8.6511 126.5227 56.5990 32.8519 176.0409 195 T 4.4495 7.6123 122.9982 61.5749 71.2855 173.5980 196 D 4.7254 8.3626 120.7875 54.5071 41.1536 176.4929 197 K 4.8442 7.7144 118.5472 54.5623 35.2238 175.1424 198 I 4.9767 8.1238 115.1665 59.0550 41.1813 174.3173 199 D 4.5831 8.9231 123.9036 53.6532 41.0760 175.5273 200 K 5.4911 8.4444 126.7145 54.1908 32.6450 177.5097 201 L 3.9367 8.8659 125.9228 55.9925 41.6981 177.2689 202 G 3.9592 6.8659 106.2304 45.5489 0.0000 173.7069 203 S 4.2193 8.7765 112.9393 60.3404 63.1284 175.0110 204 K 4.3815 7.9450 118.2824 56.3184 33.0692 176.0280 205 R 4.7226 7.6439 118.3509 54.2336 33.0089 175.0431 206 G 5.0373 8.6030 108.6378 44.7969 0.0000 172.0766 207 A 4.9351 8.4890 122.7140 49.6917 23.2488 175.4025 208 A 4.3051 8.9005 122.5052 52.9274 19.7667 176.5035 209 L 4.8000 8.9069 122.2900 53.9049 43.8962 175.5907 210 Y 5.0073 9.0968 120.3871 56.0190 42.1899 174.2020 211 K 4.9693 8.5976 119.7500 55.0035 36.3106 174.2858 212 F 5.3662 8.9848 127.6726 56.7458 40.3826 175.0236 213 N 4.2685 9.3661 125.0193 53.5478 39.0338 177.4377 214 G 3.6095 6.0434 104.2429 47.3744 0.0000 174.8988 215 K 3.7369 7.8734 119.7668 59.0746 32.6076 177.7881 216 A 4.0921 8.1339 120.9239 55.2636 18.5526 177.3841 217 Y 3.9281 6.6747 115.2801 58.8450 39.1937 175.2167 218 R 3.8838 7.2405 120.2242 56.0917 28.6963 177.5758 219 K 4.0128 7.4136 117.2374 58.6372 32.1177 177.1096 220 D 4.5143 7.5165 116.9595 51.2838 42.0969 174.5089 221 P 3.5730 0.0000 0.0000 61.0418 30.4642 178.4533 222 K 4.4316 7.5681 121.1920 55.2543 31.8857 175.9785 223 F 5.0059 8.1263 123.0370 57.0634 41.1508 174.8428 224 K 4.1679 7.5705 128.4337 55.2355 34.9630 175.1796 225 L 3.9417 7.3979 124.8250 56.4443 40.3867 174.2120 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 3 N 8.42 4.51 0.00 2.76 2.74 0.00 0.00 6.75 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 6.79 4.18 0.00 2.75 2.96 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 5 Y 7.59 4.76 0.00 3.03 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 6 S 8.03 4.37 0.00 3.97 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 7 S 8.03 4.48 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 8 N 7.82 4.92 0.00 2.90 2.80 0.00 0.00 6.94 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 9 P 0.00 4.31 0.00 1.45 1.84 0.00 3.74 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 2.04 1.98 0.00 10 T 7.52 4.46 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 1.12 0.00 0.00 11 F 8.03 4.77 0.00 3.02 2.96 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 12 Y 8.44 4.39 0.00 3.17 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 13 L 9.08 4.90 0.00 1.74 1.72 1.01 1.19 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 14 G 9.08 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 15 I 8.24 5.25 1.82 0.00 0.00 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 1.23 1.04 0.88 0.00 0.00 16 D 8.89 5.20 0.00 2.47 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 0.00 0.00 0.00 17 C 8.64 5.25 0.00 2.77 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 18 I 8.90 4.06 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.33 0.00 0.00 19 I 8.05 4.81 1.65 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.95 0.00 0.00 20 F 9.55 5.27 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 21 G 9.53 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 22 F 8.35 5.43 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.56 4.24 0.00 2.36 2.26 0.00 0.00 6.94 7.37 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 24 E 9.19 3.61 0.00 1.93 1.86 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 2.06 2.12 0.00 25 G 7.79 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.64 4.73 0.00 1.96 1.75 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 2.18 2.19 0.00 27 I 8.21 4.92 1.97 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 1.44 0.89 1.18 0.00 0.00 28 S 9.13 5.26 0.00 4.02 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 29 L 8.81 5.18 0.00 1.48 1.38 0.72 0.28 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 30 L 7.90 3.88 0.00 0.55 0.93 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.81 5.02 0.00 1.84 1.82 0.77 0.28 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 32 L 9.08 4.60 0.00 1.50 1.52 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 3.81 0.00 0.79 1.32 0.00 1.23 0.00 0.00 1.34 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.71 0.21 7.81 34 R 8.12 3.76 0.00 1.44 1.18 0.00 2.83 0.00 0.00 2.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.42 0.00 35 N 8.74 4.83 0.00 2.81 2.85 0.00 0.00 5.98 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 6.97 4.93 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 37 E 8.60 4.17 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 38 P 0.00 4.32 0.00 2.36 2.12 0.00 4.23 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 39 A 7.56 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0.00 0.00 0.00 117 Y 8.73 4.91 0.00 3.18 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 0.00 118 W 9.02 5.19 0.00 3.23 3.11 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 0.00 119 V 8.93 4.53 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 0.47 0.00 0.00 0.72 0.00 0.00 120 N 9.04 4.69 0.00 2.77 2.73 0.00 0.00 6.96 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 0.00 121 I 8.69 3.83 1.91 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 1.44 0.85 0.96 0.00 0.00 122 N 8.20 4.82 0.00 2.85 2.87 0.00 0.00 6.73 7.80 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 0.00 123 E 7.82 4.72 0.00 1.84 1.79 0.00 0.00 0.00 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 2.22 0.00 124 L 7.90 3.90 0.00 1.52 1.47 0.85 1.12 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 0.00 125 P 0.00 4.21 0.00 1.64 1.41 0.00 3.33 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 126 A 8.23 4.02 1.26 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 0.00 0.00 0.00 0.00 0.00 127 L 8.22 4.63 0.00 1.63 1.59 0.88 0.93 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 0.00 128 I 7.71 4.04 1.12 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.22 0.70 0.00 0.00 129 F 8.05 3.90 0.00 3.01 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.70 5.03 0.00 3.00 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 0.00 131 H 8.23 4.06 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.34 0.00 2.18 2.09 0.00 3.53 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 133 E 7.90 3.95 0.00 2.03 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 0.00 2.59 2.38 0.00 *135 V 7.89 4.00 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 0.89 0.00 0.00 0.91 0.00 0.00 136 D 8.01 4.41 0.00 2.98 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 0.00 137 K 8.16 4.46 0.00 2.13 2.03 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.40 7.81 138 A 8.10 4.30 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 0.00 139 R 7.98 4.12 0.00 2.13 2.05 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 140 E 7.75 4.23 0.00 2.02 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 2.35 2.61 0.00 *143 K 7.70 4.16 0.00 1.96 2.02 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 144 Q 8.08 4.12 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 145 K 8.07 4.01 0.00 2.01 1.87 0.00 1.88 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.59 7.81 146 A 7.44 4.34 1.26 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 0.00 0.00 0.00 0.00 0.00 147 S 8.45 5.00 0.00 4.13 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 0.00 148 V 7.90 4.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.04 0.00 0.00 149 E 8.27 4.58 0.00 2.01 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 2.12 2.21 0.00 150 P 0.00 3.85 0.00 1.33 1.45 0.00 3.28 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 151 I 7.47 3.25 1.58 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.36 0.62 0.00 0.00 152 G 7.63 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 7.33 4.01 0.00 2.70 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 0.00 154 N 7.86 4.45 0.00 2.72 2.90 0.00 0.00 6.97 7.47 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 0.00 155 L 7.94 4.46 0.00 1.45 1.65 0.60 1.08 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 0.00 156 L 6.94 4.81 0.00 1.53 1.65 0.13 0.92 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 0.00 157 P 0.00 4.58 0.00 2.30 2.16 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.07 0.00 158 K 8.88 4.15 0.00 1.86 2.00 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.61 7.81 159 L 7.89 5.11 0.00 1.60 1.55 0.93 0.70 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 0.00 160 F 8.40 5.36 0.00 3.34 3.26 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 0.00 0.00 0.00 161 T 9.31 5.08 4.37 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 1.37 0.00 0.00 162 L 8.66 4.12 0.00 1.73 1.82 0.72 0.12 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 0.00 163 S 8.12 4.14 0.00 4.06 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 0.00 164 Q 8.27 4.14 0.00 2.51 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 165 L 8.09 3.80 0.00 2.15 2.00 1.10 0.14 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 0.00 166 Q 8.21 2.96 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 167 S 7.96 4.26 0.00 3.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.58 2.65 0.00 0.50 1.29 -0.21 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 7.67 3.29 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.47 4.02 0.00 2.07 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 2.27 2.20 0.00 171 A 7.68 4.00 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 0.00 172 I 7.34 3.63 1.14 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.24 0.75 0.00 0.00 173 Y 7.79 4.84 0.00 2.98 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 0.00 174 G 7.75 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 0.00 175 E 7.80 4.81 0.00 2.06 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 2.14 2.21 0.00 176 P 0.00 4.77 0.00 2.10 2.07 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 *178 D 7.91 4.31 0.00 2.74 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 0.00 179 K 8.70 3.98 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.50 7.81 180 R 7.88 3.91 0.00 1.90 1.93 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 181 N 8.35 4.49 0.00 2.96 3.07 0.00 0.00 5.81 8.12 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 0.00 182 F 7.99 4.04 0.00 3.18 3.28 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 0.00 183 R 8.17 3.87 0.00 2.18 1.99 0.00 3.40 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 184 K 7.78 3.87 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 185 R 7.22 3.78 0.00 1.51 1.72 0.00 3.14 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 186 V 6.89 3.47 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 0.61 0.00 0.00 0.46 0.00 0.00 187 A 7.64 4.13 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 0.00 188 E 7.34 4.44 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 *190 D 7.97 5.15 0.00 2.62 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 0.00 191 F 7.17 4.51 0.00 2.94 3.37 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 0.00 192 I 7.32 4.70 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.70 1.16 0.00 0.00 193 E 9.14 4.88 0.00 1.88 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 0.00 2.23 2.23 0.00 194 K 8.65 3.25 0.00 1.48 1.46 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.89 0.40 7.81 195 T 7.61 4.45 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 1.19 0.00 0.00 196 D 8.36 4.73 0.00 2.61 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 0.00 197 K 7.71 4.84 0.00 1.63 1.66 0.00 1.57 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 198 I 8.12 4.98 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.90 0.00 0.00 199 D 8.92 4.58 0.00 2.87 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 0.00 200 K 8.44 5.49 0.00 1.75 1.93 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.30 7.81 201 L 8.87 3.94 0.00 1.62 1.73 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 202 G 6.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.78 4.22 0.00 3.99 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 0.00 204 K 7.95 4.38 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81 205 R 7.64 4.72 0.00 1.76 1.80 0.00 3.16 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 206 G 8.60 5.04 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 0.00 207 A 8.49 4.94 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 0.00 208 A 8.90 4.31 1.29 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 0.00 0.00 209 L 8.91 4.80 0.00 1.70 1.52 0.95 0.64 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 0.00 210 Y 9.10 5.01 0.00 2.40 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 0.00 211 K 8.60 4.97 0.00 1.76 1.57 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 212 F 8.98 5.37 0.00 2.80 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 0.00 213 N 9.37 4.27 0.00 2.75 2.67 0.00 0.00 6.84 7.17 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 0.00 214 G 6.04 3.61 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 0.00 0.00 0.00 215 K 7.87 3.74 0.00 1.65 2.18 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 216 A 8.13 4.09 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 0.00 217 Y 6.67 3.93 0.00 1.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 R 7.24 3.88 0.00 1.90 2.23 0.00 3.08 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 219 K 7.41 4.01 0.00 1.94 1.89 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.41 7.81 220 D 7.52 4.51 0.00 2.71 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 0.00 221 P 0.00 3.57 0.00 1.99 1.57 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 222 K 7.57 4.43 0.00 1.98 1.94 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.74 7.81 223 F 8.13 5.01 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.57 4.17 0.00 1.65 1.50 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.43 7.81 225 L 7.40 3.94 0.00 1.56 1.24 -0.11 0.24 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 * Residues marked with a * may have inaccurate shift predictions.