NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2137 8.3027 121.4648 55.9934 30.3233 174.0255 2 V 4.0189 7.2196 120.1774 62.2667 32.6529 174.1801 3 K 4.7390 10.3307 128.6148 54.5630 36.3131 174.8022 4 L 4.9115 8.6977 123.5387 52.9958 44.8651 175.6613 5 L 4.6840 8.8633 127.2018 53.2808 44.1875 175.4599 6 E 5.1902 8.8798 126.0873 56.1557 31.1819 175.6157 7 S 4.5230 9.1515 115.3799 58.1026 66.6649 175.2478 8 G 3.9858 9.1743 107.9663 45.1541 0.0000 174.0998 9 G 3.7369 7.4427 108.6548 44.4439 0.0000 173.8265 10 G 3.6931 7.3457 104.8437 44.8282 0.0000 170.6727 11 L 4.7953 7.9119 122.5032 54.3690 42.8619 177.0373 12 A 4.8741 9.3353 127.2714 50.1611 23.0230 174.7522 13 Q 4.9572 8.7223 118.1825 53.2288 30.6928 174.0551 14 P 4.5100 0.0000 0.0000 64.5458 31.6553 176.6394 15 G 3.9548 9.8335 111.6142 45.2711 0.0000 173.7828 16 G 4.0289 7.9685 106.9305 45.7267 0.0000 172.6706 17 S 5.3311 8.3880 114.0466 56.8617 66.9794 173.6354 18 L 4.5546 8.9142 122.6936 53.5396 45.9224 174.3445 19 K 4.6993 8.4719 125.8604 54.7159 34.2227 175.0691 20 L 4.8904 8.6896 128.1644 53.4160 44.4053 175.6514 21 S 5.5230 9.0489 115.2701 57.3098 67.5772 171.8865 22 C 5.4271 8.9497 119.2177 55.2698 48.1974 172.1156 23 A 5.0562 9.0964 128.2604 50.2840 20.6129 175.5042 24 A 5.3005 8.0893 124.3856 50.3837 22.0215 175.4422 25 S 4.2048 8.9419 113.5370 58.1522 66.6190 175.7206 26 G 4.4002 10.8758 108.5220 46.4606 0.0000 172.6650 27 F 4.7929 6.9051 112.2990 55.9155 40.6134 174.5586 28 D 4.5946 8.7226 121.3903 52.4074 39.6613 175.8436 29 F 3.8941 8.0338 126.4089 60.8196 39.6999 177.5157 30 R 3.9101 8.3009 118.2319 58.7127 29.7957 176.7332 31 R 4.4891 8.3890 114.8996 56.0263 30.5287 175.1152 32 Y 4.8951 7.7880 115.4910 55.7144 41.2608 175.6940 33 W 4.3910 9.0684 121.8742 57.0033 30.8465 175.1707 34 M 5.2876 8.9576 121.9815 54.0791 35.6421 174.7859 35 T 5.1533 8.8935 116.4659 61.8503 73.8148 172.8725 36 W 5.2402 8.7414 123.3452 55.0749 32.3643 175.0302 37 V 5.1994 9.0781 122.8321 61.3703 35.0770 174.0008 38 R 5.1069 9.2601 121.8435 54.6080 33.6561 174.0077 39 Q 4.7066 9.0138 120.4394 54.6739 32.1498 174.3311 40 A 4.7441 8.6591 129.5536 50.3928 19.8898 174.4753 41 P 4.4496 0.0000 0.0000 64.2932 31.7081 176.9659 42 G 3.9699 9.0269 109.4063 46.0257 0.0000 172.6371 43 K 4.6668 8.0066 117.7958 54.1114 35.7248 175.6702 44 G 4.0865 8.1808 108.6005 44.3772 0.0000 173.2872 45 L 4.5373 8.2641 118.6699 54.8527 42.6798 176.8325 46 E 4.7203 9.2826 122.8061 54.0276 32.7515 174.4317 47 W 4.5536 9.2547 135.0000 58.1947 31.1195 175.1390 48 I 4.2106 8.5184 128.1138 61.7297 38.5773 175.9554 49 G 3.0320 6.0824 106.4052 45.9312 0.0000 170.5246 50 E 5.3829 8.0606 116.9476 55.1306 34.0121 174.2059 51 I 4.9459 8.6356 119.6464 59.5223 41.9839 174.2921 52 N 3.1400 8.1187 127.0043 50.8350 38.5028 174.2728 52A P 3.8922 0.0000 0.0000 65.7030 31.1944 177.3636 53 D 4.5269 7.6792 113.5714 52.6912 39.3795 176.9099 54 S 3.6429 7.6764 113.0653 59.6056 61.3369 173.1292 55 R 4.0600 8.7841 119.6054 57.9717 30.3548 176.4643 56 T 4.6486 8.4623 115.7150 61.6007 71.5366 173.2688 57 I 4.9871 8.4173 126.4987 59.6872 40.7024 174.3764 58 N 5.2180 8.7864 124.0980 51.6877 41.4637 173.5175 59 Y 5.2176 8.5863 118.8961 55.9024 42.0309 174.9268 60 M 4.5699 9.2937 121.9620 55.6576 33.3202 175.0855 61 P 4.2210 0.0000 0.0000 66.1876 31.5738 177.8923 62 S 4.0272 8.0648 111.9487 62.4355 63.0911 175.6824 63 L 3.9172 7.7768 116.6417 54.8804 41.3226 178.9987 64 K 3.7795 7.4600 121.8652 58.9728 32.0795 176.5498 65 D 4.7630 7.8056 114.0116 52.3591 40.4501 175.6578 66 K 4.5655 7.9497 118.6360 56.9365 34.3850 175.6353 67 F 5.6634 7.9073 118.6777 55.9633 42.7082 174.5789 68 I 4.7658 8.5450 121.6962 59.9163 41.0667 174.1817 69 I 5.2447 9.3381 128.6987 59.9290 39.2887 175.0823 70 S 4.9537 9.0526 119.7216 57.6640 66.9480 172.6424 71 R 5.0993 8.4319 115.2832 55.1828 32.8400 174.4763 72 D 4.7564 9.1932 119.4132 52.4290 42.7989 175.7008 73 N 4.6409 9.0003 124.1755 56.0193 39.0385 177.7586 74 A 4.0228 7.8725 120.0868 54.4121 18.5118 178.2353 75 K 4.3290 8.1319 112.3034 55.2934 32.8626 175.9271 76 N 3.1400 7.3977 115.6019 54.4026 36.7678 173.7150 77 S 4.8451 7.3092 111.3989 56.4050 67.5152 174.2671 78 L 5.0058 8.2350 123.8137 53.5060 45.3301 174.8042 79 Y 5.6546 9.3342 122.2001 56.2995 42.5781 174.3497 80 L 4.7009 8.7716 123.5936 53.4360 45.4870 174.6643 81 Q 4.7317 9.0727 128.8884 54.5755 30.8045 173.9810 82 L 4.7267 8.8635 127.6836 53.1349 43.9597 175.8925 82A S 4.8960 8.4535 116.1326 56.4582 66.7462 173.2881 82B R 3.8179 8.5541 115.9020 57.0180 27.3288 177.2850 82C L 4.3505 7.8917 117.2096 55.2278 42.5973 177.3602 83 R 5.0335 9.2995 121.2114 53.8699 34.3520 176.4784 84 S 4.1977 8.7663 113.7302 61.5341 62.8207 176.4196 85 E 4.0699 8.2452 117.4109 58.4941 29.2135 177.0652 86 D 4.8222 8.1633 118.3977 54.8568 41.4054 176.6052 87 S 4.6107 8.4435 117.4411 58.6152 63.4064 173.6476 88 A 4.3729 8.6070 125.5463 51.9805 23.6638 174.3356 89 L 4.7964 8.1528 119.1585 54.0438 43.5258 175.9101 90 Y 4.8074 8.8702 121.8768 56.5527 40.2547 174.2574 91 Y 5.4431 9.8326 123.1814 56.4864 41.1982 173.8366 92 C 4.1122 9.9935 124.4221 55.0738 42.2453 172.5238 93 V 4.5926 8.3150 125.8172 60.9526 34.5842 173.8178 94 R 4.6587 8.6129 127.4140 54.9833 31.8561 174.4744 95 L 5.1048 8.4893 128.4176 53.3921 44.0190 175.1781 96 D 4.8698 9.5298 127.7965 53.7980 42.1274 174.9481 97 F 4.6978 9.0143 129.8736 56.9024 40.6395 174.4936 98 D 4.9809 8.5099 128.3193 51.9534 41.0072 176.5912 99 V 4.1522 8.4019 124.3681 63.6677 32.1861 178.5781 100 Y 4.0496 8.2385 120.9939 60.7650 38.6158 176.4291 100A N 4.3759 8.3982 113.7374 52.8550 39.3751 174.7105 100B H 3.7559 7.1408 113.9436 57.3601 26.7519 174.4693 100C Y 4.3938 7.2925 120.0582 55.8202 41.8446 174.7491 100D Y 4.8478 7.6159 123.3470 56.2908 42.1134 174.3405 100E V 4.4699 8.3567 124.0565 61.0761 35.2899 174.8361 100F L 4.8122 8.6709 128.2511 54.0446 39.9135 176.3394 101 D 4.4712 8.8412 122.1193 56.0081 39.9045 176.3097 102 Y 4.9268 8.0389 117.7152 55.1012 40.8378 174.3191 103 W 5.1680 9.0622 122.2534 54.8896 32.7555 175.6604 104 G 4.1237 8.9700 111.1729 45.7843 0.0000 173.4916 105 Q 4.5923 9.0025 116.8342 55.5521 29.1225 177.4995 106 G 3.9440 8.8840 103.0238 45.7442 0.0000 172.8335 107 T 4.6244 8.2994 113.6262 59.9094 70.6506 172.9376 108 S 4.7903 8.6457 123.3997 58.0840 64.2171 172.6367 109 V 4.9211 8.9134 126.0022 61.4339 34.8131 174.0947 110 T 4.9384 9.0418 124.1752 61.7468 71.9147 172.8467 111 V 4.7297 8.4586 127.2008 61.7372 32.8377 174.7442 112 S 4.6962 8.9608 120.8395 58.1877 66.1274 175.7465 113 S 4.5491 8.9418 116.9884 58.5619 62.7648 174.2251 114 A 4.2785 7.8775 122.6813 52.4851 18.7788 176.9358 115 S 4.8162 8.2179 114.2715 56.9401 64.8900 174.3240 116 T 4.6231 8.2275 111.8257 62.1915 69.8757 173.5203 117 K 4.6525 9.4653 123.8658 55.1011 35.9363 175.6415 118 G 4.2834 8.8410 114.7794 45.4606 0.0000 171.3925 119 P 4.9877 0.0000 0.0000 62.4162 33.1031 175.3207 120 S 4.5047 8.8022 117.5034 56.9818 64.9475 173.3237 121 V 4.5025 7.8822 124.5074 61.3190 32.6595 174.5199 122 F 5.2794 8.8476 127.7205 55.0448 41.7373 173.5468 123 P 4.9085 0.0000 0.0000 62.8389 32.6499 176.4934 124 L 4.7554 8.9821 123.5901 52.3586 41.3234 175.0181 125 A 4.4396 8.3402 123.3390 51.4244 19.5204 175.4612 126 P 4.5779 0.0000 0.0000 61.7673 31.6879 177.1456 127 S 4.6386 8.4614 124.3201 58.2401 63.2461 173.6513 128 S 4.6470 7.5262 111.6111 55.9519 66.0057 172.4126 129 K 4.6765 8.2405 123.3283 54.2273 34.1059 177.7478 130 S 4.2839 8.5954 116.5402 61.2275 63.2499 176.1822 124 T 4.7654 8.9721 115.3901 59.0586 68.7234 172.1181 125 S 4.5896 8.4102 115.2390 57.2244 64.2204 172.2612 126 G 4.1179 8.5466 108.9184 43.5673 0.0000 174.7455 127 G 4.1286 8.4814 117.4201 45.0401 0.0000 173.9513 128 T 4.5270 7.3662 109.5111 59.4519 72.0057 172.5126 129 A 4.6765 8.1905 126.7283 50.5273 20.1059 178.9478 130 A 4.1339 8.5254 124.6402 55.4275 18.5499 179.3822 140 L 4.7486 8.2007 121.1265 54.9208 44.7308 175.4086 141 G 4.3621 7.7775 103.4276 46.7348 0.0000 172.8663 142 C 5.4418 9.4730 116.8634 55.1298 43.4535 173.2133 143 L 4.9111 9.5655 126.0094 53.6941 43.6907 175.4209 144 V 4.7383 9.1007 128.9518 61.3760 32.4352 174.5060 145 K 4.9151 8.6479 126.9171 55.0255 36.3136 174.9974 146 D 4.4972 8.3559 119.1496 55.6398 38.1454 172.2687 147 Y 5.2060 6.6106 117.6582 55.5358 42.9468 175.7616 148 F 5.1938 9.1103 119.1055 57.3254 43.5604 171.7719 149 P 4.1736 0.0000 0.0000 61.3329 33.9394 175.0240 150 E 4.2211 8.4365 118.4605 56.1296 29.9845 173.7937 151 P 5.0251 0.0000 0.0000 60.9740 34.2303 173.8676 152 V 4.6839 7.9386 110.1959 59.6549 35.0917 175.5253 153 T 4.6969 8.7375 113.1580 59.9286 72.0973 173.0837 154 V 5.2564 8.1972 122.3392 60.0856 35.0512 174.4173 *156 S 5.0340 8.4385 120.6886 58.2882 65.2120 172.1087 157 W 5.5138 8.3482 119.3609 53.5502 31.9874 176.2084 *162 N 4.6257 8.1971 121.8023 54.6230 39.1330 174.5930 163 S 3.8257 9.8790 106.5846 59.4752 61.6693 174.5748 164 G 4.0190 8.0568 108.5453 45.2691 0.0000 175.6476 165 A 4.0063 8.1418 122.8088 54.3704 18.5045 177.3938 166 L 4.5847 7.9231 118.2095 53.9360 42.4110 175.6889 167 T 4.6148 8.2924 114.5351 61.1658 70.4652 174.2488 168 S 4.1953 8.0564 118.9218 59.2836 63.6508 174.2537 169 G 3.6156 8.5709 112.8122 45.5708 0.0000 172.3356 *171 V 4.1653 7.3329 117.7864 62.8984 32.7376 174.5993 172 H 4.6803 9.2368 123.6774 54.5603 32.3676 172.4765 173 T 4.8570 8.3251 120.8916 61.6684 69.7458 174.8227 174 F 4.6287 8.9602 126.3649 56.1143 39.9738 174.2065 175 P 4.4008 0.0000 0.0000 62.5372 31.8227 176.2126 176 A 4.5979 8.5985 122.9834 52.4573 19.4177 176.9270 177 V 4.5444 8.9180 113.2933 59.3786 35.3257 174.9931 178 L 4.1602 8.5111 126.5196 54.1627 42.4237 176.3894 179 Q 4.3424 8.6944 126.5064 55.1191 30.1240 177.7193 180 S 3.8815 8.6574 115.2092 61.4126 62.9756 176.3915 *182 S 4.3537 7.3803 112.4479 57.1210 64.3929 174.5212 183 G 3.6879 8.2082 109.2837 45.0049 0.0000 172.8685 184 L 4.6255 7.0706 118.3430 52.8863 44.8562 175.7942 185 Y 4.7026 8.3290 119.7283 57.8244 39.8788 174.4199 186 S 5.2853 8.6118 113.8916 57.6582 66.5221 173.0340 187 L 5.0308 9.4192 125.3529 55.2395 44.2675 173.9035 188 S 5.4621 8.8890 114.3545 56.9303 67.4068 173.1706 189 S 5.2625 9.3135 116.5851 56.9817 65.4969 173.2638 190 V 5.2684 9.1256 119.7116 59.9773 36.2821 174.7227 191 V 5.2270 8.6907 120.1245 61.4077 34.7573 172.7230 192 T 5.5419 8.1551 113.1159 60.4744 70.3162 173.9598 193 V 4.5922 7.8785 117.4161 58.2694 36.2634 173.4816 194 P 4.8034 0.0000 0.0000 62.7703 32.1094 177.5593 195 S 4.1369 8.8061 118.3157 61.8634 62.8570 176.6610 196 S 4.3643 8.0958 112.5469 60.1469 62.8971 174.6799 197 S 4.4602 8.0203 115.5333 58.5197 63.6026 173.7222 198 L 4.2759 7.8778 122.5051 57.9613 40.9747 176.1247 199 G 4.1154 8.7977 113.3722 45.8464 0.0000 173.9232 200 T 4.1606 8.1482 115.9642 64.6041 70.2885 174.4785 *203 Q 4.4154 7.5600 120.2558 56.0585 29.9061 173.4841 *205 T 4.4877 8.1709 119.8185 63.7653 69.9648 172.6362 206 Y 5.0896 8.4284 123.6228 56.4647 40.6549 174.6328 207 I 5.2433 9.2869 125.5848 59.5207 41.1710 172.0868 208 C 4.1769 8.7019 121.7020 53.5697 38.2239 172.3679 209 N 5.1705 9.1899 121.7976 51.0930 39.8884 173.8764 210 V 4.6244 8.8566 125.0878 61.0900 34.1354 174.0907 211 N 5.2299 8.9298 125.2927 52.2429 42.3986 172.3940 212 H 4.7616 9.4416 125.9888 54.0212 31.3259 173.8414 213 K 3.8461 8.5862 124.7783 58.8289 32.2297 177.7847 214 P 3.6475 0.0000 0.0000 64.9467 31.2131 177.0343 215 S 4.6430 7.7011 109.2906 56.8938 63.5551 173.3964 216 N 4.1173 8.4990 117.4157 55.2062 36.7218 174.1625 217 T 4.6748 7.9810 113.4988 61.7928 71.4634 175.0307 218 K 4.9654 8.5430 124.4398 54.7055 35.6351 175.7826 219 V 4.3804 9.0030 125.1272 61.0514 35.1422 174.0855 220 D 5.1455 8.6258 126.1745 52.5539 43.6825 173.9720 221 K 4.4768 8.4385 125.5171 54.5112 34.2533 174.8835 222 K 4.8618 8.6492 128.7505 55.4688 33.7753 175.4628 223 V 4.2767 8.9869 128.1284 61.4347 33.1137 174.8622 *226 E 4.9483 8.5570 126.0464 55.5239 30.6124 173.6818 227 P 4.4460 0.0000 0.0000 61.9941 31.5241 177.0126 228 K 3.9286 8.6213 123.4908 56.5451 32.6051 176.2600 *232 S 4.3600 8.2245 116.6243 58.4785 64.1342 173.5352 233 C 4.4359 8.4994 118.5538 60.0885 28.5380 173.9502 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.30 4.21 0.00 2.02 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 2.27 2.32 0.00 2 V 7.22 4.02 0.68 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 0.23 0.00 0.00 0.08 0.00 0.00 3 K 10.33 4.74 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 4 L 8.70 4.91 0.00 1.54 1.56 0.94 1.07 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 5 L 8.86 4.68 0.00 1.73 1.50 0.95 0.80 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 6 E 8.88 5.19 0.00 1.98 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 0.00 2.53 2.43 0.00 7 S 9.15 4.52 0.00 3.88 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 8 G 9.17 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 0.00 0.00 0.00 9 G 7.44 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 0.00 0.00 0.00 10 G 7.35 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.91 4.80 0.00 1.56 1.55 0.94 0.98 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 12 A 9.34 4.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.72 4.96 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 2.44 2.21 0.00 14 P 0.00 4.51 0.00 2.19 2.10 0.00 3.80 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 2.01 2.00 0.00 15 G 9.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.97 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 0.00 0.00 0.00 17 S 8.39 5.33 0.00 3.66 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 18 L 8.91 4.55 0.00 1.52 1.21 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.47 4.70 0.00 1.79 1.56 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.34 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.33 7.81 20 L 8.69 4.89 0.00 0.95 1.35 0.17 0.32 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 21 S 9.05 5.52 0.00 4.02 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 22 C 8.95 5.43 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.10 5.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.09 5.30 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.94 4.20 0.00 3.81 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 26 G 10.88 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 0.00 0.00 0.00 0.00 27 F 6.91 4.79 0.00 2.98 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 28 D 8.72 4.59 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.03 3.89 0.00 2.61 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 30 R 8.30 3.91 0.00 1.87 2.21 0.00 3.26 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 31 R 8.39 4.49 0.00 1.98 1.80 0.00 3.17 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 32 Y 7.79 4.90 0.00 2.92 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 33 W 9.07 4.39 0.00 3.51 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.96 5.29 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 35 T 8.89 5.15 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 1.27 0.00 0.00 36 W 8.74 5.24 0.00 3.20 3.05 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 37 V 9.08 5.20 2.22 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 1.42 0.00 0.00 0.93 0.00 0.00 38 R 9.26 5.11 0.00 1.12 1.24 0.00 2.49 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 39 Q 9.01 4.71 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 40 A 8.66 4.74 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 41 P 0.00 4.45 0.00 2.13 2.11 0.00 3.88 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 2.13 2.17 0.00 42 G 9.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.01 4.67 0.00 1.96 1.75 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.38 7.81 44 G 8.18 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 0.00 0.00 0.00 45 L 8.26 4.54 0.00 1.67 1.82 0.89 0.78 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 46 E 9.28 4.72 0.00 2.08 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 2.34 2.36 0.00 47 W 9.25 4.55 0.00 3.34 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.52 4.21 2.03 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 1.24 0.00 0.00 49 G 6.08 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 0.00 0.00 0.00 50 E 8.06 5.38 0.00 2.47 2.36 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 2.69 2.67 0.00 51 I 8.64 4.95 1.83 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 1.12 1.15 0.89 0.00 0.00 52 N 8.12 3.14 0.00 1.44 1.42 0.00 0.00 6.64 7.05 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 52A P 0.00 3.89 0.00 1.81 2.26 0.00 2.88 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 53 D 7.68 4.53 0.00 2.68 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 54 S 7.68 3.64 0.00 4.03 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 8.78 4.06 0.00 1.88 1.94 0.00 3.07 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 56 T 8.46 4.65 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 1.42 0.00 0.00 57 I 8.42 4.99 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.55 0.00 0.00 58 N 8.79 5.22 0.00 3.01 3.02 0.00 0.00 6.33 8.23 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 59 Y 8.59 5.22 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 60 M 9.29 4.57 0.00 2.24 2.51 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.66 0.00 61 P 0.00 4.22 0.00 2.27 2.16 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 62 S 8.06 4.03 0.00 3.81 3.87 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 63 L 7.78 3.92 0.00 1.46 0.49 0.58 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.46 3.78 0.00 1.93 1.85 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.52 7.81 65 D 7.81 4.76 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.95 4.57 0.00 2.03 1.97 0.00 1.06 0.00 0.00 1.19 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.88 0.52 7.81 67 F 7.91 5.66 0.00 2.81 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 68 I 8.54 4.77 1.89 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 1.20 0.71 0.99 0.00 0.00 69 I 9.34 5.24 1.94 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 1.51 0.86 1.10 0.00 0.00 70 S 9.05 4.95 0.00 4.01 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 71 R 8.43 5.10 0.00 2.10 1.98 0.00 2.87 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 72 D 9.19 4.76 0.00 2.99 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 73 N 9.00 4.64 0.00 2.85 2.95 0.00 0.00 6.92 7.63 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 74 A 7.87 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.13 4.33 0.00 1.73 1.78 0.00 1.95 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 76 N 7.40 3.14 0.00 2.53 2.29 0.00 0.00 6.78 8.83 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 77 S 7.31 4.85 0.00 3.52 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 78 L 8.24 5.01 0.00 1.86 1.36 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.33 5.65 0.00 2.98 2.78 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 80 L 8.77 4.70 0.00 0.27 0.13 0.63 -0.32 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 81 Q 9.07 4.73 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 82 L 8.86 4.73 0.00 1.29 1.20 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 82A S 8.45 4.90 0.00 3.85 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 82B R 8.55 3.82 0.00 1.98 2.03 0.00 3.38 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 82C L 7.89 4.35 0.00 1.74 1.62 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.30 5.03 0.00 1.82 1.81 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 84 S 8.77 4.20 0.00 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.25 4.07 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 86 D 8.16 4.82 0.00 2.94 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 87 S 8.44 4.61 0.00 3.87 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 88 A 8.61 4.37 1.16 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 89 L 8.15 4.80 0.00 1.54 1.07 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.87 4.81 0.00 2.93 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 91 Y 9.83 5.44 0.00 3.06 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 92 C 9.99 4.11 0.00 2.49 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 93 V 8.31 4.59 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 -0.14 0.00 0.00 94 R 8.61 4.66 0.00 1.70 1.79 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 95 L 8.49 5.10 0.00 1.79 1.91 1.02 1.40 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 96 D 9.53 4.87 0.00 3.23 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 97 F 9.01 4.70 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.51 4.98 0.00 2.77 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 99 V 8.40 4.15 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 0.76 0.00 0.00 1.05 0.00 0.00 100 Y 8.24 4.05 0.00 2.87 3.21 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 100A N 8.40 4.38 0.00 2.82 2.76 0.00 0.00 7.25 8.28 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 100B H 7.14 3.76 0.00 3.25 3.33 0.00 5.59 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.29 4.39 0.00 2.82 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 100D Y 7.62 4.85 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 8.36 4.47 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 0.87 0.00 0.00 0.31 0.00 0.00 100F L 8.67 4.81 0.00 1.87 1.49 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.84 4.47 0.00 2.54 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 0.00 102 Y 8.04 4.93 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 9.06 5.17 0.00 3.03 3.14 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 0.00 104 G 8.97 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 0.00 105 Q 9.00 4.59 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 106 G 8.88 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 0.00 107 T 8.30 4.62 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 108 S 8.65 4.79 0.00 3.93 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 0.00 109 V 8.91 4.92 2.28 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 0.81 0.00 0.00 0.62 0.00 0.00 110 T 9.04 4.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 111 V 8.46 4.73 2.22 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 0.80 0.00 0.00 1.04 0.00 0.00 112 S 8.96 4.70 0.00 4.14 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 0.00 113 S 8.94 4.55 0.00 3.89 3.87 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 0.00 114 A 7.88 4.28 1.10 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 0.00 0.00 115 S 8.22 4.82 0.00 4.05 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 0.00 116 T 8.23 4.62 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 117 K 9.47 4.65 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.47 7.81 118 G 8.84 4.28 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 0.00 119 P 0.00 4.99 0.00 2.04 1.97 0.00 3.69 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 120 S 8.80 4.50 0.00 3.57 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 0.00 121 V 7.88 4.50 1.91 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 0.70 0.00 0.00 0.78 0.00 0.00 122 F 8.85 5.28 0.00 3.06 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 0.00 123 P 0.00 4.91 0.00 2.18 2.15 0.00 3.98 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 124 L 8.98 4.76 0.00 1.82 1.72 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.34 4.44 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 0.00 126 P 0.00 4.58 0.00 1.97 2.02 0.00 3.77 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 127 S 8.46 4.64 0.00 3.89 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 0.00 128 S 7.53 4.65 0.00 3.76 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 0.00 129 K 8.24 4.68 0.00 1.84 1.68 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 130 S 8.60 4.28 0.00 4.01 4.34 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 0.00 124 T 8.97 4.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 125 S 8.41 4.59 0.00 3.84 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 0.00 126 G 8.55 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 0.00 127 G 8.48 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.37 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 129 A 8.19 4.68 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.53 4.13 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.20 4.75 0.00 1.89 1.68 0.54 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 9.47 5.44 0.00 2.75 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.57 4.91 0.00 1.87 1.90 1.04 1.00 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 0.00 144 V 9.10 4.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.89 0.00 0.00 145 K 8.65 4.92 0.00 1.95 2.00 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.65 7.81 146 D 8.36 4.50 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 6.61 5.21 0.00 2.98 3.04 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 0.00 148 F 9.11 5.19 0.00 3.18 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 0.00 149 P 0.00 4.17 0.00 1.70 0.85 0.00 3.74 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 150 E 8.44 4.22 0.00 1.74 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 1.47 1.47 0.00 151 P 0.00 5.03 0.00 2.10 1.99 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 152 V 7.94 4.68 1.74 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 -0.37 0.00 0.00 0.69 0.00 0.00 153 T 8.74 4.70 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 1.18 0.00 0.00 154 V 8.20 5.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.85 0.00 0.00 *156 S 8.44 5.03 0.00 3.99 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 0.00 157 W 8.35 5.51 0.00 3.50 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 *162 N 8.20 4.63 0.00 3.02 2.93 0.00 0.00 7.28 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 0.00 163 S 9.88 3.83 0.00 3.99 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 0.00 164 G 8.06 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 0.00 0.00 0.00 165 A 8.14 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.92 4.58 0.00 1.72 1.93 0.91 0.80 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 0.00 167 T 8.29 4.61 4.26 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 1.28 0.00 0.00 168 S 8.06 4.20 0.00 3.85 3.80 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 0.00 169 G 8.57 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 8.02 4.46 0.00 4.11 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 0.00 198 L 7.88 4.28 0.00 1.78 1.75 0.94 1.35 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 0.00 199 G 8.80 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 0.00 200 T 8.15 4.16 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 *203 Q 7.56 4.42 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.67 0.00 0.00 0.00 0.00 0.00 2.02 1.31 0.00 *205 T 8.17 4.49 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 206 Y 8.43 5.09 0.00 3.05 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 0.00 207 I 9.29 5.24 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.90 0.00 0.00 208 C 8.70 4.18 0.00 1.46 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 N 9.19 5.17 0.00 2.50 2.78 0.00 0.00 6.39 7.56 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 0.00 210 V 8.86 4.62 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 0.81 0.00 0.00 0.74 0.00 0.00 211 N 8.93 5.23 0.00 2.76 2.51 0.00 0.00 6.39 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 H 9.44 4.76 0.00 2.95 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.59 3.85 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 214 P 0.00 3.65 0.00 1.79 2.05 0.00 3.09 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 1.87 1.98 0.00 215 S 7.70 4.64 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 0.00 216 N 8.50 4.12 0.00 2.74 2.87 0.00 0.00 6.75 5.12 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 0.00 217 T 7.98 4.67 4.26 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 1.18 0.00 0.00 218 K 8.54 4.97 0.00 1.54 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.37 7.81 219 V 9.00 4.38 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 0.89 0.00 0.00 0.86 0.00 0.00 220 D 8.63 5.15 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.48 0.00 1.85 1.58 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.44 7.81 222 K 8.65 4.86 0.00 1.84 1.73 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.67 7.81 223 V 8.99 4.28 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 1.22 0.00 0.00 *226 E 8.56 4.95 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 227 P 0.00 4.45 0.00 2.07 2.03 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 228 K 8.62 3.93 0.00 1.84 1.76 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.47 7.81 *232 S 8.22 4.36 0.00 4.01 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 0.00 233 C 8.50 4.44 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.