NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 A 4.2439 8.2649 123.5884 52.0314 20.8708 176.8279 87 T 4.2324 7.6561 114.3262 62.0167 69.4189 172.1465 88 T 5.2046 9.1374 124.5022 61.8511 73.5501 172.3944 89 Y 5.0209 9.5699 123.1147 56.2829 41.5303 174.7481 90 I 4.5764 8.5941 125.0254 59.9491 39.1369 175.2907 91 F 4.5901 10.1117 128.5748 56.8242 39.5457 176.3297 92 G 4.3470 9.3202 113.5156 44.8095 0.0000 172.1661 93 K 4.1054 8.6026 119.6120 57.0001 32.3811 176.0820 94 G 3.7109 9.1323 115.0497 44.4378 0.0000 171.6837 95 G 4.0484 7.4080 106.5799 44.8462 0.0000 170.0035 96 A 5.1414 8.4026 124.7030 50.6762 21.7170 175.8127 97 L 5.0034 8.8995 121.8354 54.1850 46.4183 173.9527 98 I 4.9366 8.7775 126.5290 59.7555 40.7275 174.5106 99 T 4.9402 8.7857 122.7772 61.9881 71.8750 172.5311 100 Y 4.6286 8.7621 128.7640 56.5630 39.4134 174.1729 101 T 4.4746 7.9691 124.1987 61.5196 69.0294 175.2321 102 W 4.2294 8.1505 126.1191 56.0276 29.9656 175.1197 103 P 4.4808 0.0000 0.0000 62.0574 31.4915 176.0315 104 P 4.3801 0.0000 0.0000 65.3107 31.4766 177.6649 105 N 4.5636 8.1222 113.8738 54.6577 38.8972 175.3302 106 D 4.9058 7.5493 116.3896 53.8192 41.2925 176.5647 107 R 3.5612 7.6642 118.9112 55.1395 30.3940 174.3700 108 P 4.2733 0.0000 0.0000 62.3474 32.1432 176.0781 109 S 4.8709 8.5093 120.3623 56.3721 61.4698 172.4616 110 T 4.5289 7.6931 112.8139 59.9902 70.5776 175.8744 111 R 4.4865 8.4531 121.6416 56.5424 31.6460 176.0795 112 M 5.2393 7.7425 116.4479 52.2615 35.5930 174.4455 113 D 5.0977 8.6980 122.6675 52.2978 44.4658 174.8608 114 R 4.8586 9.0433 120.5591 54.4134 31.7297 174.4235 115 L 5.4633 9.2406 126.6019 53.4457 45.2014 175.1320 116 A 5.1981 8.7271 125.4269 50.9267 22.9156 175.3864 117 V 4.9463 8.6924 122.1164 60.0000 35.8646 174.2152 118 G 4.9335 9.0193 113.0792 43.5531 0.0000 171.7576 119 F 5.5342 7.8976 118.6970 56.1887 42.3527 172.8209 120 S 5.0049 9.2437 112.0611 57.9454 66.1487 172.6924 121 T 4.5736 8.4165 118.6143 62.0954 69.9735 173.3535 122 H 4.8585 8.6607 121.8600 56.4276 29.7347 176.3159 123 Q 4.0907 7.7011 118.9181 55.9022 29.2508 176.4884 124 R 4.1258 8.7574 123.4343 58.7194 31.5063 176.0230 125 S 5.3042 7.7891 112.2008 56.4844 65.0842 173.0871 126 A 4.6277 8.9512 126.6111 51.1127 23.0563 174.7918 127 V 4.1442 8.3399 120.1647 62.0924 32.6163 174.6807 128 L 3.8264 8.7770 127.1931 55.6085 43.6726 176.3993 129 V 4.7382 7.1927 117.2621 61.0483 35.2426 173.8230 130 R 5.0708 8.9966 125.7040 54.3865 34.3162 174.1808 131 V 4.8264 9.1310 123.0707 61.3155 34.5686 174.3863 132 D 5.2816 8.9661 126.5524 52.9479 44.2847 175.0249 133 S 5.7074 8.6432 114.4443 56.3985 65.2800 174.9827 134 A 4.1391 8.1929 123.8279 54.9507 18.2161 178.2334 135 S 4.7024 8.0488 109.9738 57.6447 65.8728 176.4361 136 G 3.7168 8.4917 111.2878 47.1671 0.0000 174.2722 137 L 4.7005 8.4301 117.5150 55.5241 45.4305 176.6913 138 G 3.9829 6.8841 108.2528 46.2642 0.0000 175.9032 139 D 4.7768 8.9138 128.1221 51.6387 41.2087 173.7815 140 Y 4.3246 8.4941 128.1273 60.2614 40.3656 175.6645 141 L 4.7873 8.0258 120.7125 53.9498 46.2633 174.0134 142 Q 4.8584 9.3834 127.6003 54.1328 32.7174 173.5250 143 L 4.4999 9.2149 128.9707 53.6595 43.8248 174.4781 144 H 5.3010 8.7837 122.4663 53.7042 32.2326 172.8211 145 I 4.7049 8.9218 121.5001 60.0323 38.8396 174.2103 146 D 4.8864 9.0604 127.3893 52.6777 43.9957 175.6430 147 Q 3.1687 10.1039 125.8573 56.8645 26.5320 174.0288 148 G 4.4466 8.2897 109.0070 45.4595 0.0000 174.8865 149 T 4.1652 7.2559 110.4623 61.3132 69.9427 173.9453 150 V 4.3706 8.4105 123.6563 62.8926 33.4259 174.8551 151 G 4.2867 8.7758 112.3708 44.9542 0.0000 171.7892 152 V 5.3032 8.2947 123.5906 59.9995 34.5047 174.0866 153 I 5.1353 8.3081 128.3482 59.6139 39.9583 174.5644 154 F 5.1741 8.5808 121.0908 55.1077 41.3538 173.0694 155 N 4.8465 8.6272 122.4130 53.1341 39.6510 174.7887 156 V 4.3140 7.7537 119.1810 60.5109 35.4318 176.1720 157 G 3.8504 8.7221 115.0617 46.9910 0.0000 174.1167 158 T 4.3342 8.5309 112.4044 61.4414 69.8351 174.2741 159 D 4.8039 7.6804 122.2082 52.9732 42.9607 173.9875 160 D 4.8492 8.2466 123.6165 52.5411 43.1797 175.6122 161 I 4.1899 7.6423 124.3502 59.9154 39.4043 174.7366 162 T 5.0132 8.2041 120.1695 60.4593 69.4187 173.3557 163 I 5.2289 8.6959 129.8536 60.3902 39.0875 174.5398 164 D 4.8500 8.5072 122.4669 52.7986 44.4357 175.0417 165 E 4.7295 8.6716 124.6762 53.9906 29.7284 173.6484 166 P 4.4218 0.0000 0.0000 62.7277 32.3111 177.3266 167 N 4.0159 7.9814 115.7397 53.3477 38.8507 174.9637 168 A 4.2245 6.5128 121.5174 49.5734 18.8243 175.4066 169 I 3.7469 8.0365 121.5138 61.8788 38.7916 175.8171 170 V 3.8397 7.9722 126.4308 63.5749 33.1145 176.4826 171 S 4.7779 7.9567 115.0696 58.9995 62.4359 174.8091 172 D 4.5823 7.9841 119.0829 53.6353 39.4882 177.3934 173 G 3.8455 8.0796 108.3416 45.3860 0.0000 173.8238 174 K 4.4254 8.2551 119.8374 55.5941 34.4383 175.1384 175 Y 4.6031 8.3253 122.2840 57.6874 40.0686 173.7699 176 H 5.0196 8.2019 122.5953 53.7743 33.7773 172.5278 177 V 4.5755 8.9668 121.0510 61.4079 33.9817 174.6036 178 V 4.9761 8.6536 121.7747 59.8915 34.3476 175.3677 179 R 5.0302 9.4724 124.3839 54.8855 33.2393 173.2994 180 F 5.5137 9.5138 129.6332 56.6252 42.3895 174.1295 181 T 4.9077 7.9479 114.5677 58.8098 72.8998 172.5768 182 R 4.4239 7.7171 120.6967 54.6671 33.5826 175.0693 183 S 4.7904 8.8455 121.9460 58.0542 62.7551 174.5098 184 G 3.8986 7.8227 105.0531 43.9302 0.0000 173.8419 185 G 3.1437 7.4472 114.9357 45.0895 0.0000 173.3297 186 N 5.0172 7.9188 118.9372 52.1346 39.6096 174.0384 187 A 4.8525 8.5419 125.8613 50.4717 22.2834 175.6937 188 T 4.8775 8.0254 115.8663 61.7270 72.3781 172.7539 189 L 5.1941 9.4543 129.5191 53.2176 44.8833 174.7183 190 Q 5.0401 9.3628 127.5439 54.3147 32.3330 173.7832 191 V 4.7937 8.4226 126.5766 61.2499 33.9514 175.8153 192 D 4.2306 9.2402 129.6312 56.0360 41.1710 176.1241 193 S 4.7777 8.8689 120.1380 58.7554 62.5369 175.7443 194 W 4.9391 8.1547 120.8180 53.9117 30.1095 172.6620 195 P 4.7515 0.0000 0.0000 62.5867 32.1084 176.2998 196 V 4.7573 9.4327 122.2299 61.3073 35.3245 173.6030 197 N 5.4554 8.7939 123.2223 51.2698 40.6597 173.3499 198 E 4.6890 9.0918 121.4266 54.5709 32.3469 175.3658 199 R 4.4896 8.6574 124.6442 55.5380 31.0812 176.1566 200 Y 4.3994 8.8475 125.6456 57.2246 39.2621 174.2291 201 P 4.0668 0.0000 0.0000 62.2357 31.9566 176.1727 202 A 4.0080 8.4326 125.1132 53.1688 17.3651 175.4126 203 G 3.8553 7.9953 112.7369 47.2246 0.0000 172.7679 *210 N 4.7263 7.8501 117.8199 52.8955 40.9704 173.7371 211 S 4.7467 6.9802 111.8740 56.7727 62.6250 171.0004 212 Q 4.2678 7.8565 120.0828 55.6449 28.6012 175.9866 213 A 4.7088 9.2660 126.1641 53.5232 21.3062 176.3863 214 A 4.8299 7.9308 114.2299 51.1485 23.0815 175.0629 215 I 4.7853 8.5053 120.9905 59.5257 39.6383 174.9177 216 K 4.9219 9.1370 126.8274 54.6592 34.7360 175.2211 217 I 4.4334 8.7301 125.9082 60.5860 39.6915 176.8596 218 G 3.7106 8.3107 117.1456 44.8569 0.0000 170.4313 219 G 4.2293 6.4705 108.6884 44.4359 0.0000 176.9822 220 R 4.9524 8.5717 121.7276 54.0327 33.9321 173.8437 221 D 4.5111 8.5789 120.6914 53.3482 42.6022 176.4103 222 Q 3.7411 9.1338 124.4348 55.5389 26.9448 173.6515 223 G 3.6987 8.0877 106.1281 45.4491 0.0000 174.2318 224 R 4.3040 8.0285 120.5199 54.6955 30.8568 174.8875 225 P 5.5649 0.0000 0.0000 62.0862 32.4255 175.9278 226 F 4.5543 8.7770 124.7092 58.3486 40.0458 174.4566 227 Q 4.4428 8.6157 125.4499 55.0606 30.8401 175.5274 228 G 3.7174 7.0165 113.5921 45.8180 0.0000 170.1950 229 Q 5.5635 8.2945 117.3976 54.7173 32.7164 174.7973 230 V 5.2651 9.2873 119.7562 61.7726 34.6702 175.7647 231 S 5.4314 9.4179 119.3048 56.0948 65.2012 174.3940 232 G 4.2460 7.8253 107.3848 45.0968 0.0000 172.9966 233 L 4.7211 7.4232 121.8438 54.5988 44.2253 175.8144 234 Y 5.4935 9.2538 124.0779 56.2258 41.6551 173.6772 235 Y 4.6982 8.7252 127.2322 55.6798 40.2915 175.1721 236 N 3.9938 9.4352 127.7627 54.4400 36.4222 176.1041 237 G 3.8762 8.4057 103.8909 45.4965 0.0000 173.4378 238 L 4.2795 7.5325 123.3330 54.2949 42.9401 176.9697 239 K 4.6626 8.3537 128.9335 54.8173 28.9768 177.2170 240 V 3.4056 7.5655 123.3354 66.0047 31.9335 177.1823 241 L 4.0418 7.8091 117.8230 57.6008 41.4434 179.0339 242 A 4.0345 8.0081 120.1971 55.3283 18.5043 179.2621 243 L 4.1619 8.2122 118.4028 57.3171 41.6008 179.6527 244 A 3.9960 8.4590 120.6117 55.3506 18.1141 179.6521 245 A 4.1863 8.2834 119.5194 54.4975 18.5931 178.9629 246 E 4.1543 8.5526 116.0037 56.5830 29.4218 177.8277 247 S 3.7703 7.5947 114.0393 59.0235 61.0871 170.7318 248 D 4.3500 7.8070 119.6886 54.4127 41.2554 175.4673 249 P 4.2032 0.0000 0.0000 66.1893 31.5533 177.2744 250 N 4.2574 8.0355 113.4771 54.5851 39.1777 174.5783 251 V 4.6870 7.7331 120.3905 61.3103 32.8045 175.3672 252 R 4.5740 9.1369 127.6123 55.5960 32.1307 175.7403 253 T 4.8361 8.0759 117.1848 62.0745 72.5966 173.0320 254 E 4.4294 9.0178 124.2473 56.6576 33.4076 174.1912 255 G 4.3073 8.9151 110.7577 45.9397 0.0000 174.3130 256 H 4.6688 8.6907 112.9888 54.2131 28.3559 172.4953 257 L 5.0440 8.0346 120.0676 52.5374 44.6407 175.3138 258 R 4.5553 8.4438 124.2022 54.2184 32.6600 174.4210 259 L 3.9889 8.4636 128.7857 54.4580 42.8985 176.4861 260 V 3.9891 8.7335 126.7209 62.9483 31.8015 175.1082 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 86 A 8.26 4.24 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 87 T 7.66 4.23 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 1.29 0.00 0.00 88 T 9.14 5.20 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 1.37 0.00 0.00 89 Y 9.57 5.02 0.00 3.07 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 90 I 8.59 4.58 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 1.00 0.00 0.00 91 F 10.11 4.59 0.00 3.22 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 92 G 9.32 4.35 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 93 K 8.60 4.11 0.00 1.84 2.06 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81 94 G 9.13 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 0.00 0.00 0.00 95 G 7.41 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 96 A 8.40 5.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.90 5.00 0.00 1.73 1.51 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.78 4.94 1.80 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.38 0.77 0.00 0.00 99 T 8.79 4.94 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 1.22 0.00 0.00 100 Y 8.76 4.63 0.00 2.87 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 0.00 101 T 7.97 4.47 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 1.19 0.00 0.00 102 W 8.15 4.23 0.00 3.57 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 0.00 103 P 0.00 4.48 0.00 2.24 2.00 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 104 P 0.00 4.38 0.00 2.04 2.12 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 105 N 8.12 4.56 0.00 2.73 2.87 0.00 0.00 6.79 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 0.00 106 D 7.55 4.91 0.00 2.76 2.79 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 0.00 0.00 0.00 107 R 7.66 3.56 0.00 1.67 1.62 0.00 3.31 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 108 P 0.00 4.27 0.00 1.98 1.89 0.00 2.77 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.00 109 S 8.51 4.87 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.69 4.53 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 111 R 8.45 4.49 0.00 1.80 2.00 0.00 3.14 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 112 M 7.74 5.24 0.00 1.77 1.87 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 2.45 2.42 0.00 113 D 8.70 5.10 0.00 2.71 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 0.00 114 R 9.04 4.86 0.00 1.80 1.94 0.00 2.64 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 115 L 9.24 5.46 0.00 2.21 1.91 1.12 0.85 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 0.00 116 A 8.73 5.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.69 4.95 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 1.04 0.00 0.00 0.94 0.00 0.00 118 G 9.02 4.93 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 0.00 119 F 7.90 5.53 0.00 3.30 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 0.00 120 S 9.24 5.00 0.00 4.03 3.84 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 0.00 121 T 8.42 4.57 4.43 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 0.00 0.00 0.00 1.44 0.00 0.00 122 H 8.66 4.86 0.00 3.17 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.70 4.09 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 124 R 8.76 4.13 0.00 1.95 1.92 0.00 3.17 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 125 S 7.79 5.30 0.00 3.85 3.67 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 0.00 126 A 8.95 4.63 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.34 4.14 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 0.71 0.00 0.00 0.96 0.00 0.00 128 L 8.78 3.83 0.00 1.45 1.11 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.19 4.74 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 0.84 0.00 0.00 0.73 0.00 0.00 130 R 9.00 5.07 0.00 1.66 1.71 0.00 3.09 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 131 V 9.13 4.83 2.39 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 1.17 0.00 0.00 0.48 0.00 0.00 132 D 8.97 5.28 0.00 2.67 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 0.00 133 S 8.64 5.71 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.19 4.14 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 0.00 135 S 8.05 4.70 0.00 3.85 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 0.00 136 G 8.49 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 0.00 137 L 8.43 4.70 0.00 1.65 1.70 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 G 6.88 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 0.00 139 D 8.91 4.78 0.00 2.61 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 0.00 140 Y 8.49 4.32 0.00 3.11 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 0.00 141 L 8.03 4.79 0.00 1.56 1.53 1.05 0.65 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 0.00 142 Q 9.38 4.86 0.00 2.44 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 143 L 9.21 4.50 0.00 1.54 1.31 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.78 5.30 0.00 3.19 3.46 0.00 5.30 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.92 4.70 1.87 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 1.10 0.44 1.03 0.00 0.00 146 D 9.06 4.89 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 10.10 3.17 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 148 G 8.29 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.26 4.17 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 1.21 0.00 0.00 150 V 8.41 4.37 2.13 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 0.95 0.00 0.00 1.08 0.00 0.00 151 G 8.78 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 0.00 0.00 0.00 0.00 152 V 8.29 5.30 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 0.28 0.00 0.00 0.76 0.00 0.00 153 I 8.31 5.14 1.85 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 1.41 0.57 0.90 0.00 0.00 154 F 8.58 5.17 0.00 2.91 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 0.00 155 N 8.63 4.85 0.00 2.87 2.75 0.00 0.00 6.99 8.53 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 0.00 156 V 7.75 4.31 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 0.79 0.00 0.00 0.75 0.00 0.00 157 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.53 4.33 4.25 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 1.22 0.00 0.00 159 D 7.68 4.80 0.00 2.70 2.55 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 0.00 160 D 8.25 4.85 0.00 2.50 2.42 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 0.00 161 I 7.64 4.19 0.56 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 0.67 0.79 0.87 0.00 0.00 162 T 8.20 5.01 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 1.19 0.00 0.00 163 I 8.70 5.23 2.02 0.00 0.00 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 1.48 2.01 1.11 0.00 0.00 164 D 8.51 4.85 0.00 2.65 2.49 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 0.00 165 E 8.67 4.73 0.00 2.07 1.76 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 2.27 2.25 0.00 166 P 0.00 4.42 0.00 2.13 2.08 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 167 N 7.98 4.02 0.00 1.44 1.42 0.00 0.00 6.71 6.84 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 0.00 168 A 6.51 4.22 1.14 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 0.00 0.00 169 I 8.04 3.75 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.92 0.00 0.00 170 V 7.97 3.84 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 1.19 0.00 0.00 0.80 0.00 0.00 171 S 7.96 4.78 0.00 3.96 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 0.00 172 D 7.98 4.58 0.00 2.87 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 0.00 173 G 8.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.26 4.43 0.00 2.09 1.70 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 175 Y 8.33 4.60 0.00 3.05 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 0.00 176 H 8.20 5.02 0.00 1.94 2.84 0.00 5.61 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 0.00 177 V 8.97 4.58 2.13 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 1.09 0.00 0.00 1.06 0.00 0.00 178 V 8.65 4.98 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 0.91 0.00 0.00 1.11 0.00 0.00 179 R 9.47 5.03 0.00 1.85 1.78 0.00 3.06 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 180 F 9.51 5.51 0.00 3.14 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 0.00 181 T 7.95 4.91 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 1.07 0.00 0.00 182 R 7.72 4.42 0.00 1.35 1.58 0.00 3.35 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 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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 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 192 D 9.24 4.23 0.00 2.98 1.80 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 0.00 193 S 8.87 4.78 0.00 3.65 3.60 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 0.00 194 W 8.15 4.94 0.00 3.49 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 0.00 195 P 0.00 4.75 0.00 2.11 2.08 0.00 3.72 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 1.96 0.00 196 V 9.43 4.76 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 1.11 0.00 0.00 1.08 0.00 0.00 197 N 8.79 5.46 0.00 2.78 2.71 0.00 0.00 5.91 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 0.00 198 E 9.09 4.69 0.00 2.05 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 2.27 2.33 0.00 199 R 8.66 4.49 0.00 1.74 1.92 0.00 3.24 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 A 7.93 4.83 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 0.00 215 I 8.51 4.79 1.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.27 0.69 0.00 0.00 216 K 9.14 4.92 0.00 1.57 1.64 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 217 I 8.73 4.43 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.82 0.00 0.00 218 G 8.31 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 0.00 0.00 0.00 219 G 6.47 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 0.00 0.00 0.00 220 R 8.57 4.95 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 221 D 8.58 4.51 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.13 3.74 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 223 G 8.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.30 0.00 1.97 1.88 0.00 3.14 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 225 P 0.00 5.56 0.00 1.97 2.06 0.00 3.73 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 226 F 8.78 4.55 0.00 2.86 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 0.00 227 Q 8.62 4.44 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.21 0.00 228 G 7.02 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 0.00 229 Q 8.29 5.56 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 230 V 9.29 5.27 2.38 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 1.09 0.00 0.00 0.73 0.00 0.00 231 S 9.42 5.43 0.00 3.91 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 0.00 232 G 7.83 4.25 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 0.00 233 L 7.42 4.72 0.00 1.71 1.41 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 9.25 5.49 0.00 2.92 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 0.00 235 Y 8.73 4.70 0.00 3.08 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 0.00 236 N 9.44 3.99 0.00 2.85 2.84 0.00 0.00 7.04 7.92 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 0.00 237 G 8.41 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 7.53 4.28 0.00 1.90 1.60 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 239 K 8.35 4.66 0.00 1.90 1.85 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.86 1.66 7.81 240 V 7.57 3.41 1.96 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 0.97 0.00 0.00 0.76 0.00 0.00 241 L 7.81 4.04 0.00 1.76 1.92 1.22 1.02 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 0.00 242 A 8.01 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 L 8.21 4.16 0.00 1.93 1.82 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 244 A 8.46 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 A 8.28 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 E 8.55 4.15 0.00 2.27 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 2.35 2.37 0.00 247 S 7.59 3.77 0.00 4.00 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 0.00 248 D 7.81 4.35 0.00 2.77 2.79 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 0.00 0.00 0.00 249 P 0.00 4.20 0.00 2.05 2.10 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 250 N 8.04 4.26 0.00 2.46 2.06 0.00 0.00 6.58 8.26 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 0.00 251 V 7.73 4.69 2.25 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 0.73 0.00 0.00 1.19 0.00 0.00 252 R 9.14 4.57 0.00 1.70 1.77 0.00 3.07 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 253 T 8.08 4.84 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 1.11 0.00 0.00 254 E 9.02 4.43 0.00 2.03 1.72 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 2.22 2.25 0.00 255 G 8.92 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 0.00 256 H 8.69 4.67 0.00 3.12 3.28 0.00 5.58 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 0.00 257 L 8.03 5.04 0.00 1.41 1.57 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 258 R 8.44 4.56 0.00 1.84 1.76 0.00 3.08 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 259 L 8.46 3.99 0.00 1.44 1.43 0.28 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 260 V 8.73 3.99 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 0.85 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.