NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2840 7.9133 120.4561 61.6914 33.7604 173.6691 3 Q 4.7610 9.1782 122.7539 53.5604 31.0281 172.7802 4 Q 5.0555 10.1800 127.8601 54.5286 31.5179 173.7015 5 L 5.2204 8.7248 127.9456 53.8085 43.6845 176.3147 6 S 5.1748 9.4036 117.3977 57.5945 67.4029 172.5970 7 L 5.2603 8.5785 118.4470 53.5118 46.3850 175.4796 8 F 5.2334 9.1511 120.4459 56.2313 43.6524 173.9773 9 G 4.1178 8.6207 104.5508 47.6558 0.0000 172.3284 10 S 5.6320 8.8032 112.4374 58.7873 65.6627 174.7014 11 I 4.6819 8.0743 113.2038 59.3213 40.8910 174.9691 12 G 4.0765 8.8451 113.6691 45.1769 0.0000 173.9485 13 D 4.8818 9.1432 121.2701 57.8444 40.5128 179.5543 14 D 4.6029 8.2575 118.0862 56.7715 41.2379 177.9625 15 G 3.9097 8.6329 105.5026 46.2508 0.0000 174.3503 16 Y 3.9061 7.8482 121.2931 61.4233 38.7345 177.5997 17 D 4.2377 8.3194 118.4647 57.8398 41.0788 178.7399 18 L 3.9267 7.8892 120.0996 57.7274 42.1988 178.1637 19 L 4.0014 8.1600 120.1162 58.6211 41.8989 179.4004 20 I 3.5846 7.7388 119.5859 64.6027 36.8294 178.6938 21 S 4.1781 7.9160 115.1630 61.3242 62.5477 177.1533 22 T 3.9151 7.8684 119.0263 66.6758 68.3530 176.8593 23 L 3.6929 7.9425 120.9704 57.9330 40.8331 179.8860 24 T 4.2928 7.7580 117.2337 66.4653 68.1406 176.7866 25 T 4.0293 7.2479 115.4035 66.3893 68.5894 176.8907 26 I 3.8584 7.6072 121.4736 63.9091 37.2245 177.9018 27 S 4.4628 8.1702 113.6995 58.5887 63.5751 175.4914 28 G 4.0532 8.6844 110.3788 44.9666 0.0000 172.8958 29 N 5.1483 7.7717 116.0473 50.3961 42.1197 172.3869 30 P 4.6620 0.0000 0.0000 60.9884 32.3317 174.1600 31 P 3.5647 0.0000 0.0000 62.6212 32.2555 175.4790 32 L 4.6817 7.8979 120.6204 52.5117 44.2011 175.9726 33 L 4.7129 8.6306 126.9787 55.6666 42.8012 175.3789 34 Y 5.2701 8.9352 122.5951 56.5611 41.8022 172.6517 35 N 5.4990 8.3706 117.0672 52.1269 41.0250 173.3759 36 S 4.7415 8.6865 109.6269 57.6412 66.7248 174.6613 37 L 5.0239 9.0086 125.5501 53.6994 44.3772 174.6700 38 C 5.4808 8.6731 123.1168 58.0009 31.7586 172.8445 39 T 4.5879 9.0644 114.2863 59.7945 70.9516 173.1180 40 V 4.5713 8.1839 126.8139 60.9477 33.6735 174.5013 41 W 5.3640 9.3857 126.6403 54.7492 33.3348 174.3552 42 K 5.2126 9.2249 121.0805 54.1627 36.1947 173.6489 43 P 3.7121 0.0000 0.0000 62.2066 31.5547 175.7030 44 N 4.1945 8.7661 123.4848 53.5997 39.2350 173.7419 45 P 4.1199 0.0000 0.0000 64.6758 32.0837 177.8230 46 S 4.1566 8.2580 115.9347 61.7204 62.8318 174.2978 47 Y 4.6858 6.8570 115.9407 58.2494 38.3730 175.0489 48 D 4.5684 8.1901 118.3096 53.8771 44.6506 175.7514 49 V 4.5232 8.0739 122.6164 59.5708 34.5987 174.6281 50 E 4.2559 8.5676 120.5314 56.6734 30.8438 177.1070 51 N 5.0671 8.2840 115.3517 51.2708 38.2988 173.8864 52 V 5.5024 7.0002 116.1038 61.3948 35.1203 174.1523 53 N 5.0124 8.3334 118.2038 51.8266 40.8565 175.5809 54 S 4.5655 8.5244 112.4662 60.1797 63.6924 174.6792 55 R 4.4935 7.0966 118.1858 56.8675 30.1631 176.3701 56 N 3.9584 6.7692 115.9173 51.3077 36.8927 172.2616 57 Q 4.6458 7.9021 119.4796 52.9493 33.7527 173.7774 58 L 4.4498 8.6793 125.4204 55.3624 42.8087 176.1118 59 V 4.4660 8.3679 126.7783 60.9285 33.6261 174.4711 60 E 4.5188 8.8260 127.1896 54.6295 30.9298 174.6697 61 P 4.4549 0.0000 0.0000 63.2521 32.3838 174.6635 62 N 5.3904 8.7223 120.1203 51.9325 43.2140 172.9959 63 R 4.8036 8.2723 119.7127 55.6802 31.7342 176.1468 64 I 4.6056 8.7532 122.2588 59.4380 40.1943 174.4776 65 K 4.9880 9.1672 127.8185 54.6505 34.7853 174.4165 66 L 5.2374 8.9017 127.8172 53.2625 43.7279 175.5720 67 S 5.5794 9.3421 118.4897 56.8676 66.5446 172.4606 68 K 4.6905 8.6524 122.5559 56.4399 35.9773 173.8053 69 E 4.6394 8.6349 118.8105 55.2854 30.9035 175.8206 70 V 4.3279 8.0815 120.7376 59.9631 34.1222 173.6783 71 P 4.3917 0.0000 0.0000 62.4190 32.1644 177.2083 72 F 4.0515 8.9665 120.6311 60.7516 38.9641 177.4719 73 S 4.2783 8.1142 113.3073 60.4032 62.6619 174.2479 74 Y 4.8067 7.9571 118.0050 57.7364 38.2115 176.0625 75 L 4.7546 8.6620 120.2133 53.8857 44.0613 176.3349 76 I 5.6411 7.3747 116.7631 57.9835 40.6509 174.9349 77 D 4.4939 8.6540 122.2143 57.5036 41.2386 176.4856 78 E 4.5444 7.7339 113.5353 57.2029 36.5599 173.9632 *143 D 4.6337 7.7563 116.5396 54.5854 42.6172 173.7011 144 D 4.4409 9.4669 118.4152 55.4460 38.4532 174.2088 145 I 4.6274 6.8976 109.0179 60.4558 40.8210 176.8354 146 I 4.0676 7.4870 123.8647 61.2522 37.7523 175.8254 147 D 4.3739 8.9602 126.5639 53.8942 42.8879 174.1534 148 V 4.6677 8.0878 118.4329 59.2283 34.5337 175.3292 149 D 4.5266 8.7945 125.2072 54.1783 41.2623 175.6142 150 M 4.4248 8.4646 124.1180 53.6205 33.6471 174.9903 151 D 4.7516 8.5847 121.9503 52.7545 42.6759 175.3155 152 A 4.7147 8.5327 130.4977 51.8896 19.6669 175.9469 153 S 4.8288 7.8302 113.0051 56.6860 65.8368 172.1896 154 P 4.2505 0.0000 0.0000 62.7439 31.4234 176.1537 155 A 4.2170 8.2863 123.3306 51.2035 19.0613 175.5933 156 P 4.4010 0.0000 0.0000 62.4981 32.2081 176.7842 157 S 4.3939 8.3864 115.5860 58.6994 64.1961 175.0728 158 N 4.7533 8.2922 118.2954 54.0865 38.0864 175.1576 159 E 4.1431 8.1609 119.0858 55.3497 30.2866 176.3729 160 S 4.4000 8.4368 120.5184 58.1867 63.1839 173.0938 161 C 4.5681 8.2855 120.4385 57.3836 30.7401 173.0860 162 S 4.6353 8.2668 115.0463 56.3837 64.4070 172.1318 163 P 4.7007 0.0000 0.0000 63.0781 31.7676 175.8324 164 W 5.3320 9.2887 121.5903 55.4255 34.4955 173.5282 165 S 5.0072 9.2926 116.6721 56.6787 64.1829 172.3608 166 L 5.0861 8.8221 129.5376 53.5504 43.9545 174.9904 167 Q 5.2781 9.2885 125.0784 54.2630 33.4731 174.5127 168 I 5.0030 8.8936 122.8341 59.7096 40.9717 174.6414 169 S 5.2417 8.8793 121.0321 56.7450 65.7956 173.0824 170 D 4.9759 8.4425 120.6294 52.4520 42.8702 176.5272 171 I 4.0188 8.1909 120.5640 60.1718 38.7040 173.8801 172 P 4.5710 0.0000 0.0000 62.8245 31.8873 175.7169 173 A 3.9959 8.5008 123.8171 52.2042 18.7558 177.4474 174 A 4.0143 8.7346 123.7511 52.7627 19.0111 177.3315 175 G 3.9394 8.3470 107.2138 44.6731 0.0000 172.1629 176 N 4.6472 8.7273 122.2813 52.3041 40.1419 172.0263 177 N 4.0807 8.7394 127.2512 53.5271 36.3638 171.4105 178 R 4.6686 7.9966 120.1746 53.7380 32.3877 176.8277 179 S 4.3726 8.7203 117.6378 60.5393 63.7467 174.2112 180 V 4.5542 7.1794 118.1043 60.3199 34.2939 173.5777 181 S 4.4371 8.9787 117.6760 58.1523 63.8259 172.4125 182 M 5.1130 8.7973 126.7654 54.0090 34.6195 173.5356 183 Q 4.9841 9.0451 128.2244 54.4782 32.3665 174.4869 184 T 4.7984 8.4983 122.7092 63.2802 70.2709 173.6390 185 I 5.0751 8.6763 125.9418 59.5363 40.7622 174.5520 186 A 4.6438 9.3203 129.5785 50.5572 20.3632 175.4927 187 E 5.2251 8.6794 122.7243 55.1072 33.3687 174.3990 188 T 4.7345 8.7428 117.3358 60.9494 71.5084 172.0977 189 I 4.8478 8.2870 126.5692 59.7975 39.4211 174.9870 190 I 4.2761 8.7715 127.8393 60.2566 38.1425 176.5251 191 L 4.1801 8.4804 126.9748 56.2554 42.6955 176.1539 192 S 4.7288 7.4913 109.9008 58.5955 64.9430 174.4025 193 S 4.5530 8.8030 114.2244 57.8043 65.6304 172.4754 194 A 4.3930 8.2857 122.3452 51.5801 21.7882 174.9575 195 G 3.7644 8.6526 103.9478 44.1284 0.0000 173.1621 196 K 3.8593 8.1420 115.8970 58.5144 32.4106 176.4113 197 N 4.9504 7.7174 125.9444 52.2771 37.6344 175.0963 198 S 4.5771 8.1164 114.8132 57.9595 64.5007 176.1507 199 S 4.3327 7.7399 118.0746 58.2544 64.7950 175.1881 200 V 3.4872 8.5627 124.3039 65.0875 30.8910 178.6920 201 S 4.1799 7.9811 113.3618 61.3962 62.4049 176.0833 202 S 4.1523 7.9833 117.8926 61.5642 62.7190 176.5313 203 L 3.9379 7.8993 121.6337 58.2611 41.3608 179.6539 204 M 3.8269 7.6932 118.3911 58.2107 31.6453 178.6263 205 N 5.2877 7.5589 118.0500 55.7623 38.4783 177.6726 206 G 3.6555 8.3343 106.8819 47.5803 0.0000 175.0694 207 L 4.3693 7.5793 118.4788 55.3026 42.0239 177.8014 208 G 4.2144 8.5314 108.3697 45.3748 0.0000 172.3858 209 Y 5.1514 8.6821 117.3901 56.0103 41.4631 174.7387 210 V 5.0154 9.1619 119.6568 61.0009 35.5676 174.2443 211 F 3.1874 8.9959 128.6985 58.3903 39.2700 173.1195 212 E 4.4261 7.6378 126.8309 56.9090 30.7542 175.4073 213 F 4.6949 6.2661 111.7906 56.0296 41.5607 171.8296 214 Q 5.0192 8.5922 115.9176 55.1251 31.9837 172.9793 215 Y 5.5022 8.7406 118.2095 55.5361 42.2635 173.3269 216 L 5.1774 9.4995 123.3033 53.7880 44.8982 174.9041 217 T 5.3924 9.1138 120.1495 60.4951 70.5417 172.4015 218 I 4.8900 8.4916 128.8897 59.9563 41.1057 175.4147 219 G 4.2858 7.8368 110.8396 46.3363 0.0000 172.2031 220 V 5.3917 8.3956 112.4396 59.4337 35.8672 175.2657 221 K 5.2250 8.9517 122.1698 55.1500 36.4475 174.8251 222 F 4.9966 8.9499 119.5843 55.7342 42.4993 174.0783 223 F 4.9908 8.7881 121.6315 56.7824 40.3087 174.8588 224 M 5.0164 8.6771 121.9969 53.1719 36.2233 175.2804 225 K 4.0119 8.5453 117.9802 58.2897 32.6377 177.0938 226 H 4.2397 9.3503 116.8825 57.1170 25.9129 176.0776 227 G 3.8991 8.4933 105.3776 45.3021 0.0000 173.7226 228 L 4.2323 7.7045 123.1269 54.7819 43.1647 175.7466 229 I 4.8929 8.1016 126.8247 59.3447 40.5582 174.5039 230 L 5.2988 8.4995 124.9433 53.0362 44.9469 175.2814 231 E 5.2798 9.6801 123.4823 54.5267 33.2040 175.0729 232 L 5.2728 9.2235 124.4095 53.3051 43.8189 175.4585 233 Q 5.3869 9.4969 122.4077 54.2342 32.5382 174.5531 234 K 4.6189 9.0327 119.2836 54.5334 35.9747 175.2492 235 I 5.0912 7.8898 123.9380 59.2616 40.8864 174.4821 236 W 5.1994 9.6221 126.1504 54.8649 32.8035 174.5753 237 Q 4.7838 9.5839 126.1136 55.7816 30.2495 174.4664 238 I 5.0780 8.6285 125.9371 59.8176 39.7009 174.7445 239 E 4.8724 8.4222 125.5240 54.3538 33.8330 175.8399 240 E 4.0550 8.8684 118.7231 59.7751 29.7448 179.1951 241 A 4.2128 7.7622 121.2417 51.8826 17.8033 177.8155 242 G 4.1412 8.0464 106.8893 46.3471 0.0000 172.1598 243 N 5.4795 8.4399 116.4176 51.4233 40.8180 174.7286 244 S 4.7962 8.6975 116.7925 56.4994 66.4711 173.0008 245 Q 4.2300 8.7837 125.2056 55.1432 28.7506 176.1223 246 I 3.5887 8.0522 129.1413 64.2919 37.4738 177.4323 247 T 4.1663 7.3500 108.5984 61.0896 68.8042 173.6409 248 S 3.8927 7.3698 116.2542 60.2973 62.6457 173.1537 249 G 4.2150 9.2229 117.7908 46.2915 0.0000 172.2306 250 G 4.4910 7.4448 107.5057 46.9685 0.0000 172.8575 251 F 5.1949 9.3608 121.2017 55.4960 43.0354 174.3500 252 L 4.6849 9.0999 125.6031 54.4494 43.6136 174.8667 253 L 5.2048 9.0997 128.9074 53.3050 44.4624 174.8145 254 K 4.6804 9.2222 126.8917 54.3750 35.7801 174.3904 255 A 5.3107 8.4025 128.7350 50.3206 21.9880 174.5667 256 Y 5.1931 8.4431 119.3912 56.4515 42.5527 173.7113 257 I 4.8061 8.7473 119.2678 60.1634 42.0518 173.8912 258 N 5.5043 8.9449 124.0731 51.9249 40.4351 174.7023 259 V 4.5482 8.9842 117.2648 59.4493 34.1779 177.2568 260 S 4.4775 9.0114 120.5529 60.9681 65.0535 176.5542 261 R 4.0017 8.4556 116.2499 56.6455 28.6960 175.7633 262 G 4.2741 9.9208 112.1550 46.9735 0.0000 174.7161 263 T 4.4093 7.5678 107.1671 61.1931 69.1175 174.4386 264 D 4.7465 7.5400 122.8377 51.8591 41.6693 175.7820 265 I 3.6730 8.2231 126.4994 64.3643 37.2326 176.8380 266 D 4.3682 8.2078 119.0117 57.5811 40.8187 178.7346 267 R 4.0887 8.4037 118.9751 59.3621 30.0332 178.7903 268 I 3.8470 7.8522 119.9913 64.3643 37.1788 178.0356 269 N 4.4626 8.6050 117.6429 56.1253 38.3252 177.0023 270 Y 4.0569 8.5215 121.7688 60.9590 38.9075 177.9424 271 T 3.8252 8.0856 116.7842 66.4119 68.4598 176.6431 272 E 3.9151 8.1709 120.6385 59.6135 29.5181 179.2252 273 T 3.7510 7.6695 115.7669 66.7183 68.5609 176.4782 274 V 3.3633 7.2640 119.7259 66.0268 31.3918 178.0310 275 L 3.9325 7.7256 118.4404 58.0699 41.4055 179.3394 276 M 4.0212 8.5947 118.8972 58.6612 31.8332 178.6709 277 N 4.2153 8.7076 116.6984 55.8385 38.4970 177.4179 278 L 3.8541 7.6053 121.5575 57.8897 42.0456 178.4547 279 K 3.7756 7.9666 118.5218 59.5599 32.3861 177.8913 280 K 3.9643 8.6435 119.9342 59.6939 31.8719 177.9671 281 E 3.9257 8.0981 118.0452 59.4117 29.9149 178.3143 282 L 4.2604 8.2538 117.1292 54.4273 42.0476 176.5947 283 Q 4.0850 7.2135 120.4305 57.9817 29.2492 177.3461 284 G 4.0624 9.1650 111.9217 45.7723 0.0000 172.9171 285 Y 4.8077 8.0742 117.9144 58.6432 41.0075 175.6534 286 I 4.2706 7.4539 117.9288 59.4074 40.8778 172.8179 287 E 4.5863 8.6822 126.1568 54.9672 31.1245 175.0693 288 L 5.0441 8.4960 124.1479 53.2533 43.4570 175.7330 289 S 4.7758 9.2881 117.9238 56.4999 67.5422 172.8405 290 V 4.4186 8.3047 120.3251 61.2163 31.5856 174.1007 291 P 4.4426 0.0000 0.0000 61.8893 32.3313 175.4799 292 D 4.3607 8.3949 118.8247 54.3071 41.9155 176.6311 293 R 3.8992 8.9958 126.2449 59.9296 29.9541 178.8904 294 Q 4.2256 8.2571 115.5117 58.3636 28.7870 178.3061 295 S 4.5861 8.0977 114.6277 58.6037 63.3787 173.9670 296 M 4.6893 8.4046 122.0800 55.0338 32.8023 174.8755 297 D 4.8092 8.2172 118.8421 52.7860 42.3098 175.1499 298 S 4.6782 8.5180 120.5020 58.0736 63.5670 174.3834 299 R 4.4045 7.7011 119.1113 56.0320 30.4312 176.9073 300 V 3.8356 8.1618 118.7881 63.2940 31.4427 175.8858 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 V 7.91 4.28 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 0.85 0.00 0.00 1.02 0.00 0.00 3 Q 9.18 4.76 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 4 Q 10.18 5.06 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 5 L 8.72 5.22 0.00 1.75 1.61 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.40 5.17 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 7 L 8.58 5.26 0.00 1.56 1.56 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.15 5.23 0.00 2.91 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 9 G 8.62 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 10 S 8.80 5.63 0.00 3.96 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 11 I 8.07 4.68 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.84 0.00 0.00 12 G 8.85 4.08 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 0.00 0.00 0.00 13 D 9.14 4.88 0.00 2.72 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 14 D 8.26 4.60 0.00 2.71 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 15 G 8.63 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.85 3.91 0.00 3.15 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 17 D 8.32 4.24 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.89 3.93 0.00 1.78 1.88 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.16 4.00 0.00 1.77 1.80 0.73 1.01 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 20 I 7.74 3.58 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.88 0.00 0.00 21 S 7.92 4.18 0.00 3.97 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 22 T 7.87 3.92 4.46 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 1.26 0.00 0.00 23 L 7.94 3.69 0.00 0.91 0.13 0.63 0.57 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 24 T 7.76 4.29 4.46 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 1.27 0.00 0.00 25 T 7.25 4.03 4.32 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 1.19 0.00 0.00 26 I 7.61 3.86 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.67 0.85 0.00 0.00 27 S 8.17 4.46 0.00 4.28 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 28 G 8.68 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 29 N 7.77 5.15 0.00 2.85 2.74 0.00 0.00 6.61 7.91 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 30 P 0.00 4.66 0.00 2.17 2.09 0.00 3.42 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 31 P 0.00 3.56 0.00 1.79 1.49 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 32 L 7.90 4.68 0.00 1.60 1.61 1.08 0.43 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 33 L 8.63 4.71 0.00 1.59 1.57 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.94 5.27 0.00 3.22 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 35 N 8.37 5.50 0.00 2.56 2.38 0.00 0.00 5.92 7.64 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 36 S 8.69 4.74 0.00 3.93 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 37 L 9.01 5.02 0.00 1.75 1.59 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.67 5.48 0.00 1.59 2.35 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 39 T 9.06 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 40 V 8.18 4.57 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.31 0.00 0.00 41 W 9.39 5.36 0.00 3.26 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 42 K 9.22 5.21 0.00 1.76 2.08 0.00 1.30 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 43 P 0.00 3.71 0.00 1.75 1.72 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.00 44 N 8.77 4.19 0.00 2.67 2.34 0.00 0.00 6.64 7.26 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 45 P 0.00 4.12 0.00 2.17 2.11 0.00 3.70 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 1.91 1.93 0.00 46 S 8.26 4.16 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 6.86 4.69 0.00 2.85 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 48 D 8.19 4.57 0.00 2.66 2.56 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 49 V 8.07 4.52 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 0.78 0.00 0.00 0.93 0.00 0.00 50 E 8.57 4.26 0.00 1.97 1.95 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 2.31 2.39 0.00 51 N 8.28 5.07 0.00 2.72 3.01 0.00 0.00 6.33 7.68 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 52 V 7.00 5.50 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 0.82 0.00 0.00 1.05 0.00 0.00 53 N 8.33 5.01 0.00 2.82 2.81 0.00 0.00 6.58 7.57 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 54 S 8.52 4.57 0.00 3.98 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 55 R 7.10 4.49 0.00 1.79 1.86 0.00 3.23 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 56 N 6.77 3.96 0.00 2.72 2.81 0.00 0.00 7.07 7.08 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 57 Q 7.90 4.65 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 58 L 8.68 4.45 0.00 1.64 1.60 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.37 4.47 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 0.89 0.00 0.00 1.00 0.00 0.00 60 E 8.83 4.52 0.00 2.03 1.95 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 2.27 2.32 0.00 61 P 0.00 4.45 0.00 2.13 2.23 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 62 N 8.72 5.39 0.00 2.80 2.73 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.27 4.80 0.00 1.88 2.03 0.00 3.38 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 64 I 8.75 4.61 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.38 0.67 0.00 0.00 65 K 9.17 4.99 0.00 1.79 1.66 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 66 L 8.90 5.24 0.00 1.74 1.07 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.34 5.58 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.65 4.69 0.00 1.44 1.39 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.88 7.81 69 E 8.63 4.64 0.00 2.04 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 0.00 2.16 2.20 0.00 70 V 8.08 4.33 1.95 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 0.85 0.00 0.00 0.85 0.00 0.00 71 P 0.00 4.39 0.00 2.29 2.21 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 72 F 8.97 4.05 0.00 3.11 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 73 S 8.11 4.28 0.00 3.68 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 74 Y 7.96 4.81 0.00 3.09 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 75 L 8.66 4.75 0.00 1.72 1.57 0.67 0.79 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 76 I 7.37 5.64 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.93 0.00 0.00 77 D 8.65 4.49 0.00 2.60 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 78 E 7.73 4.54 0.00 1.92 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 0.00 2.20 2.26 0.00 *143 D 7.76 4.63 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 9.47 4.44 0.00 2.75 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 0.00 145 I 6.90 4.63 1.81 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 1.23 0.51 0.95 0.00 0.00 146 I 7.49 4.07 1.37 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 147 D 8.96 4.37 0.00 2.52 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 0.00 148 V 8.09 4.67 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 0.92 0.00 0.00 149 D 8.79 4.53 0.00 2.68 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 0.00 150 M 8.46 4.42 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 151 D 8.58 4.75 0.00 2.56 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 0.00 152 A 8.53 4.71 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 0.00 153 S 7.83 4.83 0.00 3.96 3.79 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 0.00 154 P 0.00 4.25 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 155 A 8.29 4.22 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 0.00 156 P 0.00 4.40 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 157 S 8.39 4.39 0.00 4.30 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 0.00 158 N 8.29 4.75 0.00 2.86 3.04 0.00 0.00 6.92 7.53 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 0.00 159 E 8.16 4.14 0.00 1.90 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 2.33 2.24 0.00 160 S 8.44 4.40 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 C 8.29 4.57 0.00 3.37 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 0.00 162 S 8.27 4.64 0.00 3.60 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 0.00 163 P 0.00 4.70 0.00 1.86 2.00 0.00 3.49 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 1.97 2.25 0.00 164 W 9.29 5.33 0.00 3.15 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 0.00 165 S 9.29 5.01 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.82 5.09 0.00 1.68 1.58 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 9.29 5.28 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 168 I 8.89 5.00 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.93 0.00 0.00 169 S 8.88 5.24 0.00 3.95 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 0.00 170 D 8.44 4.98 0.00 2.61 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 0.00 171 I 8.19 4.02 1.88 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 1.42 0.87 0.92 0.00 0.00 172 P 0.00 4.57 0.00 1.99 2.03 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 173 A 8.50 4.00 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 0.00 174 A 8.73 4.01 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 0.00 175 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.73 4.65 0.00 2.67 2.72 0.00 0.00 7.04 7.79 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 0.00 177 N 8.74 4.08 0.00 2.87 2.84 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.00 4.67 0.00 1.83 2.02 0.00 3.32 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 179 S 8.72 4.37 0.00 3.98 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 0.00 180 V 7.18 4.55 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 0.66 0.00 0.00 1.02 0.00 0.00 181 S 8.98 4.44 0.00 4.03 4.08 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 0.00 182 M 8.80 5.11 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 183 Q 9.05 4.98 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 184 T 8.50 4.80 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 1.23 0.00 0.00 185 I 8.68 5.08 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.93 0.00 0.00 186 A 9.32 4.64 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 0.00 187 E 8.68 5.23 0.00 1.95 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 2.41 0.00 188 T 8.74 4.73 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 1.18 0.00 0.00 189 I 8.29 4.85 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.99 0.00 0.00 190 I 8.77 4.28 2.02 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.98 0.00 0.00 191 L 8.48 4.18 0.00 1.63 1.71 0.92 0.90 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 0.00 192 S 7.49 4.73 0.00 3.92 3.83 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 0.00 193 S 8.80 4.55 0.00 3.94 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 0.00 194 A 8.29 4.39 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 0.00 195 G 8.65 3.76 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 0.00 0.00 0.00 196 K 8.14 3.86 0.00 1.83 1.76 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.48 7.81 197 N 7.72 4.95 0.00 2.71 2.79 0.00 0.00 6.82 7.57 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 0.00 198 S 8.12 4.58 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 0.00 199 S 7.74 4.33 0.00 4.10 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 0.00 200 V 8.56 3.49 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 0.76 0.00 0.00 0.26 0.00 0.00 201 S 7.98 4.18 0.00 4.07 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 0.00 202 S 7.98 4.15 0.00 4.14 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 0.00 203 L 7.90 3.94 0.00 1.66 1.59 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 204 M 7.69 3.83 0.00 1.40 1.20 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.83 0.00 205 N 7.56 5.29 0.00 3.06 2.97 0.00 0.00 6.67 7.01 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 0.00 206 G 8.33 3.66 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 0.00 0.00 0.00 207 L 7.58 4.37 0.00 1.81 1.78 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 208 G 8.53 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 0.00 0.00 0.00 0.00 209 Y 8.68 5.15 0.00 3.05 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 0.00 210 V 9.16 5.02 2.12 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 1.09 0.00 0.00 0.93 0.00 0.00 211 F 9.00 3.19 0.00 1.80 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 0.00 212 E 7.64 4.43 0.00 1.87 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 2.49 2.24 0.00 213 F 6.27 4.69 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 Q 8.59 5.02 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 215 Y 8.74 5.50 0.00 3.34 3.17 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 0.00 216 L 9.50 5.18 0.00 1.83 1.77 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 217 T 9.11 5.39 4.49 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 1.46 0.00 0.00 218 I 8.49 4.89 2.31 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 1.31 0.91 1.19 0.00 0.00 219 G 7.84 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 0.00 0.00 0.00 0.00 220 V 8.40 5.39 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 0.83 0.00 0.00 1.08 0.00 0.00 221 K 8.95 5.22 0.00 1.47 1.65 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.23 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.33 0.87 7.81 222 F 8.95 5.00 0.00 2.92 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 0.00 223 F 8.79 4.99 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 M 8.68 5.02 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 225 K 8.55 4.01 0.00 1.84 1.55 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 226 H 9.35 4.24 0.00 3.32 3.59 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 G 8.49 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 0.00 228 L 7.70 4.23 0.00 1.71 1.66 0.86 1.38 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 0.00 229 I 8.10 4.89 0.80 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 1.06 0.74 0.70 0.00 0.00 230 L 8.50 5.30 0.00 1.62 1.61 0.78 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 0.00 231 E 9.68 5.28 0.00 2.02 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 0.00 2.22 2.44 0.00 232 L 9.22 5.27 0.00 1.77 1.74 0.84 0.59 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 0.00 233 Q 9.50 5.39 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 234 K 9.03 4.62 0.00 1.63 0.74 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.66 0.61 7.81 235 I 7.89 5.09 1.71 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 1.32 1.17 0.94 0.00 0.00 236 W 9.62 5.20 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 Q 9.58 4.78 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 238 I 8.63 5.08 2.00 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 1.46 1.13 1.01 0.00 0.00 239 E 8.42 4.87 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 240 E 8.87 4.06 0.00 1.96 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 2.30 2.24 0.00 241 A 7.76 4.21 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 0.00 242 G 8.05 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 0.00 0.00 0.00 243 N 8.44 5.48 0.00 2.67 2.98 0.00 0.00 6.71 7.57 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 0.00 244 S 8.70 4.80 0.00 3.91 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 0.00 245 Q 8.78 4.23 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.04 1.16 0.00 246 I 8.05 3.59 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.77 0.00 0.00 247 T 7.35 4.17 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 1.04 0.00 0.00 248 S 7.37 3.89 0.00 3.95 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 0.00 249 G 9.22 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 0.00 0.00 0.00 0.00 250 G 7.44 4.49 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 0.00 251 F 9.36 5.19 0.00 3.01 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 0.00 252 L 9.10 4.68 0.00 1.80 1.64 1.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 253 L 9.10 5.20 0.00 1.82 1.55 1.01 0.05 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 0.00 254 K 9.22 4.68 0.00 1.55 1.55 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.32 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 0.21 7.81 255 A 8.40 5.31 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 0.00 256 Y 8.44 5.19 0.00 3.19 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 0.00 257 I 8.75 4.81 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.95 0.00 0.00 258 N 8.94 5.50 0.00 2.71 2.83 0.00 0.00 6.84 7.68 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 0.00 259 V 8.98 4.55 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 0.79 0.00 0.00 1.04 0.00 0.00 260 S 9.01 4.48 0.00 4.00 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 0.00 261 R 8.46 4.00 0.00 1.85 1.65 0.00 3.35 0.00 0.00 3.24 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 262 G 9.92 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 0.00 0.00 0.00 0.00 263 T 7.57 4.41 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 0.00 264 D 7.54 4.75 0.00 2.66 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 0.00 265 I 8.22 3.67 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.43 0.96 0.00 0.00 266 D 8.21 4.37 0.00 2.96 2.71 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 0.00 267 R 8.40 4.09 0.00 1.92 1.97 0.00 3.13 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 268 I 7.85 3.85 1.91 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 1.55 0.36 0.94 0.00 0.00 269 N 8.60 4.46 0.00 2.99 2.90 0.00 0.00 6.68 7.91 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 0.00 270 Y 8.52 4.06 0.00 3.12 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 0.00 271 T 8.09 3.83 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 1.23 0.00 0.00 272 E 8.17 3.92 0.00 2.18 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 2.34 2.66 0.00 273 T 7.67 3.75 4.16 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 1.08 0.00 0.00 274 V 7.26 3.36 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 0.95 0.00 0.00 0.39 0.00 0.00 275 L 7.73 3.93 0.00 1.85 1.67 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 276 M 8.59 4.02 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.90 0.00 277 N 8.71 4.22 0.00 2.75 2.82 0.00 0.00 6.70 6.60 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 0.00 278 L 7.61 3.85 0.00 1.71 1.80 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 279 K 7.97 3.78 0.00 1.75 2.02 0.00 1.88 0.00 0.00 1.63 0.00 0.00 3.29 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 280 K 8.64 3.96 0.00 1.91 2.00 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 281 E 8.10 3.93 0.00 2.11 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 2.32 2.35 0.00 282 L 8.25 4.26 0.00 1.68 1.65 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 283 Q 7.21 4.09 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 284 G 9.17 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 0.00 0.00 0.00 285 Y 8.07 4.81 0.00 2.84 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 0.00 286 I 7.45 4.27 1.31 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 1.35 0.68 0.59 0.00 0.00 287 E 8.68 4.59 0.00 2.00 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 2.20 2.32 0.00 288 L 8.50 5.04 0.00 1.53 1.64 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 289 S 9.29 4.78 0.00 3.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 V 8.30 4.42 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 0.86 0.00 0.00 0.99 0.00 0.00 291 P 0.00 4.44 0.00 2.00 1.79 0.00 3.96 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 1.91 1.54 0.00 292 D 8.39 4.36 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 293 R 9.00 3.90 0.00 1.88 1.99 0.00 3.49 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 294 Q 8.26 4.23 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 295 S 8.10 4.59 0.00 3.83 3.79 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 0.00 296 M 8.40 4.69 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 297 D 8.22 4.81 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 298 S 8.52 4.68 0.00 4.12 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 0.00 299 R 7.70 4.40 0.00 1.87 1.93 0.00 3.13 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 300 V 8.16 3.84 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 0.71 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.