NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3019 7.8827 121.4521 61.2066 38.7972 173.8041 17 V 4.4166 8.5232 125.5853 61.6976 33.0203 174.4097 18 G 3.7713 8.4285 113.5485 46.3403 0.0000 173.2026 19 G 4.1555 7.7426 109.6403 43.8747 0.0000 172.3473 20 Y 4.9693 7.7510 116.4920 55.0732 42.1874 174.8106 21 T 4.3210 8.5775 116.8923 63.8558 68.3937 175.5734 22 C 4.3567 8.6644 125.3998 59.9377 37.8502 175.1394 23 G 4.0990 8.6648 106.4800 44.3530 0.0000 172.8048 24 A 4.1367 8.5816 125.0769 53.2735 18.6342 176.8198 25 N 4.2403 8.7979 119.0638 54.4030 36.3605 175.4467 26 T 4.2141 7.4868 108.0323 62.6795 69.9427 175.1297 27 V 4.0400 7.0536 122.3387 60.0340 31.3689 173.6056 28 P 4.5522 0.0000 0.0000 63.6979 32.0570 178.1515 29 Y 4.9088 6.6906 115.7445 56.4407 38.8377 174.7536 30 Q 4.5794 7.3138 123.5407 56.4043 29.2409 175.4857 31 V 4.8640 8.9525 118.6002 59.6390 36.2574 174.1684 32 S 4.9355 8.7260 116.7881 56.5691 65.1735 172.5800 33 L 4.6063 8.4426 127.2526 53.1112 43.4746 174.8952 34 N 5.8713 8.9970 122.8208 50.1016 41.9779 175.0323 *37 S 4.4069 8.4949 120.6826 58.4469 64.2170 174.4900 38 G 4.0387 9.5315 108.9712 46.1146 0.0000 173.1622 39 Y 4.5047 6.7453 115.1962 56.2843 39.9282 172.4987 40 H 4.5737 8.8917 121.7218 56.0359 30.3636 174.7295 41 F 4.9693 7.7633 120.3109 57.1036 39.9271 173.8976 42 C 4.6915 6.8024 114.9783 56.0963 44.9959 172.9213 43 G 4.2829 8.5152 108.8342 45.3246 0.0000 172.2310 44 G 4.4995 7.9641 104.8766 46.3919 0.0000 172.6260 45 S 5.5028 8.7312 115.5175 56.4096 66.7663 173.6147 46 L 4.6598 9.1143 127.4086 54.7737 42.3816 177.0800 47 I 4.5101 8.6242 119.5764 61.1379 39.1606 174.4838 48 N 4.8700 7.6316 117.4476 51.8161 39.7918 175.0236 49 S 4.3651 8.7001 111.9760 60.3978 63.3267 174.7144 50 Q 4.5440 9.1558 121.4350 55.3233 30.7744 174.3555 51 W 5.5472 8.4025 116.1260 55.5023 33.4646 174.3822 52 V 5.1911 9.0493 122.7668 61.0706 34.7726 174.3762 53 V 4.9190 8.7419 125.7609 60.5107 33.9091 174.8879 54 S 5.1092 8.9742 116.7177 57.8258 66.0181 171.9395 55 A 4.7026 8.4965 120.3381 50.5055 20.6507 178.3951 56 A 3.8143 8.2791 124.3560 55.2713 18.4647 179.1570 57 H 4.5213 8.2877 109.2505 57.2849 28.6164 175.2727 58 C 4.7420 7.8891 117.1916 56.9910 40.6159 173.3743 59 Y 4.1148 7.8029 122.1571 57.5734 38.7962 175.0973 60 K 3.5723 6.3275 123.2361 56.4209 34.4009 174.0452 61 S 4.3410 8.2068 114.6524 57.8636 64.7889 173.1525 62 G 3.6510 8.3232 105.8240 46.7345 0.0000 173.5748 63 I 4.3747 7.4569 119.3196 59.6110 39.5604 175.2398 64 Q 4.7860 8.7079 127.5857 54.2025 31.8668 174.0839 65 V 4.3262 8.7823 126.9401 61.6807 33.6397 174.5320 65A R 5.0854 8.8786 127.2175 54.6459 32.4588 175.1112 66 L 4.7755 8.9900 124.5448 52.6963 44.8492 177.2310 *69 G 4.1162 8.2424 106.2628 46.2721 0.0000 172.8888 70 E 4.6119 8.4256 118.7969 55.7061 30.4709 174.6308 71 D 4.8003 8.2767 118.8700 54.8084 44.9085 174.3316 72 N 5.0205 7.9729 121.6643 52.0570 39.0731 175.8685 73 I 3.7264 8.3086 120.1210 62.4631 37.7744 176.3772 74 N 4.7544 8.4282 117.6430 53.0325 39.2984 174.8111 75 V 4.3796 7.3568 117.1444 60.6935 34.2369 174.7274 76 V 4.1761 8.3941 126.7130 62.3731 31.9494 175.1774 77 E 4.5412 9.6607 125.2549 54.9876 31.3130 176.3437 78 G 3.9749 8.7962 106.7244 46.1103 0.0000 174.2183 79 N 4.6062 8.9884 116.8495 52.7108 36.6899 174.3549 80 E 4.5936 7.6383 117.1509 56.2348 30.7802 176.2513 81 Q 4.4280 9.0567 121.1868 54.2697 32.7493 174.0386 82 F 5.4987 8.8626 122.9732 55.9637 40.9695 175.2097 83 I 4.7038 8.6660 124.3909 59.4251 40.9535 175.5982 84 S 4.6602 8.6510 121.6399 58.1779 64.3908 173.1044 85 A 4.4488 8.1818 124.5454 52.1075 18.5285 177.6828 86 S 4.4394 9.1196 117.9707 60.3897 63.2954 174.2864 87 K 4.7470 7.5564 116.2645 55.8045 35.8531 174.8192 88 S 5.1738 8.7384 116.5975 56.9115 66.4008 173.7165 89 I 4.4959 9.1964 125.3657 59.5625 39.1780 175.0051 90 V 4.2719 8.3468 127.3698 61.9110 32.7481 175.3574 91 H 3.8181 8.5767 126.3800 55.8160 30.0785 174.5986 92 P 4.3304 0.0000 0.0000 65.2942 31.3416 177.1674 93 S 4.7142 7.9553 112.1521 58.1757 63.3475 173.2998 94 Y 4.3180 8.0177 123.2063 57.5397 39.0482 174.2883 95 N 4.4758 8.0154 125.1292 51.3693 40.1854 175.1793 96 S 3.8596 7.8207 120.2591 59.7981 63.5745 175.1090 97 N 4.4070 8.4861 119.1787 55.0349 38.6141 175.9833 98 T 4.0486 7.7233 105.5762 60.5598 70.1613 174.6804 99 L 3.7755 7.8483 120.9775 55.6027 39.7847 174.0254 100 N 4.5083 7.6769 117.2596 54.5303 39.6732 174.3502 101 N 5.1101 8.6302 118.8075 53.9751 36.0614 175.6683 102 D 4.7477 7.8823 117.3997 53.0386 39.6629 174.9981 103 I 4.8268 7.1150 120.8268 59.3654 42.4513 173.1488 104 M 5.4009 9.1240 126.4320 54.2217 36.2929 173.2914 105 L 5.3958 9.0989 124.4322 53.1726 45.1250 175.4160 106 I 5.0326 8.9120 122.8912 59.4634 40.8241 174.2923 107 K 3.6894 8.5641 128.3033 54.5211 33.7856 175.4148 108 L 4.4613 8.1303 127.2101 53.6751 42.3675 176.9161 109 K 4.1512 8.8760 124.6327 59.0171 32.5514 177.1234 110 S 4.6564 7.7191 111.0093 55.8611 66.1912 173.1589 111 A 4.4424 8.3214 122.7356 51.9258 18.8608 177.3449 112 A 4.3723 8.8248 122.8416 51.7965 19.8953 177.4341 113 S 4.5795 9.0309 116.6054 57.3416 63.5670 174.6134 114 L 4.7014 8.4496 125.3155 54.1642 43.5731 176.5705 115 N 4.4596 8.7690 119.8372 53.4843 40.8862 175.7082 116 S 4.5031 8.8421 109.7760 59.2350 64.0234 175.3926 117 R 4.2512 9.0929 120.3924 56.7370 30.8362 176.0643 118 V 4.6587 7.8217 117.1351 60.8587 33.8336 173.6306 119 A 5.0813 8.5025 127.6009 50.7037 22.9984 175.2678 120 S 4.9735 8.6599 114.3799 57.6162 65.0883 172.9779 121 I 4.5032 8.0481 120.4346 59.2214 40.2079 175.3880 122 S 4.4818 8.3479 122.8526 57.8870 63.8520 173.9546 123 L 4.4779 8.0632 122.8196 53.3331 42.5391 175.1926 124 P 4.5804 0.0000 0.0000 62.8122 32.5886 176.1023 125 T 4.1961 8.1990 108.2704 62.2811 70.1813 174.5446 *127 S 4.9441 7.5703 114.5680 58.1053 64.0024 173.8606 128 C 4.4609 8.4050 117.8720 56.5604 40.8218 173.2265 129 A 4.5704 7.9450 123.8345 51.1314 20.3203 177.0628 130 S 4.4281 8.0202 115.4203 56.8395 65.1727 173.4564 *132 A 4.3136 8.1417 123.6898 53.4105 19.1834 176.9411 133 G 4.0152 9.0185 109.7272 45.4516 0.0000 174.5770 134 T 3.9440 7.6057 117.2769 63.7663 69.4402 173.3263 135 Q 4.7864 8.5734 127.4329 55.6416 30.2452 175.2065 136 C 5.2695 9.3414 122.7415 55.1418 46.7283 172.2607 137 L 5.1793 8.9331 122.5352 53.5397 44.0362 175.0486 138 I 5.2639 9.0654 127.1527 58.8267 40.2012 174.7948 139 S 4.9172 8.7052 119.0870 56.3203 66.5643 173.0252 140 G 3.8334 7.3133 108.5868 46.0626 0.0000 172.7412 141 W 4.5854 8.4819 117.1290 56.2764 29.4238 177.0381 142 G 4.1858 8.3640 108.9779 44.1570 0.0000 173.5422 143 N 3.7787 8.8388 118.3094 54.4363 38.9443 174.4331 144 T 5.1475 8.2090 112.8168 60.3898 69.3032 174.0958 145 K 4.6324 7.8136 120.8680 54.9130 34.8989 176.2605 146 S 4.3808 8.5993 116.3930 59.4959 63.7405 174.3306 147 S 4.3861 7.8911 116.0475 58.3926 63.4800 172.6235 148 G 3.9828 8.4481 110.9722 44.0580 0.0000 170.7773 149 T 4.5646 8.1583 109.3067 59.7902 70.9125 174.2840 150 S 4.3370 9.1768 120.7745 57.4271 65.3606 171.7582 151 Y 4.9307 8.5577 125.5520 55.6557 39.4189 174.5456 152 P 4.7029 0.0000 0.0000 62.4454 33.1284 175.5192 153 D 4.6835 8.7036 116.9893 55.6273 41.7478 177.2221 154 V 5.8282 7.3905 109.7535 58.4225 34.6021 175.8124 155 L 3.1277 8.6414 124.5491 55.1281 42.9757 175.8205 156 K 4.9081 8.2351 125.2259 54.8735 35.1421 174.5973 157 C 5.3023 8.4822 119.7200 55.2173 43.4320 172.8991 158 L 4.9596 8.5069 122.0502 53.8609 45.6623 174.3206 159 K 5.1557 8.9567 125.1451 55.0097 33.7510 175.6567 160 A 4.9432 9.2676 125.9482 48.6306 23.0982 173.3869 161 P 5.0681 0.0000 0.0000 61.8311 33.9704 175.1515 162 I 4.4542 8.2650 122.2390 61.4210 38.2250 175.8073 163 L 4.8890 8.7956 127.0210 53.0793 43.7472 176.6380 164 S 4.4293 8.3756 114.6051 57.9762 64.1465 175.1135 165 D 4.4280 8.7051 121.5327 57.4682 40.4534 179.1653 166 S 4.1502 8.0342 114.3468 61.7509 63.0466 176.6960 167 S 4.1304 7.9230 118.8735 61.0442 62.5283 175.8424 168 C 4.3007 8.2557 121.2303 59.8586 42.8432 175.9015 169 K 3.9941 8.5164 120.4332 59.5995 31.3618 179.6331 170 S 4.2285 8.3667 115.0322 61.2861 62.7723 176.1967 171 A 3.9995 7.8219 123.0086 53.7306 19.7154 177.3831 172 Y 4.8732 7.8268 114.0120 55.1732 38.1832 173.2410 173 P 4.5818 0.0000 0.0000 63.5483 32.0854 177.6028 174 G 3.9624 9.0072 108.7589 46.2930 0.0000 173.6909 175 Q 4.5728 8.2826 116.1361 55.2845 29.9846 175.2427 176 I 4.4909 7.8515 119.8588 59.7964 38.6735 175.3621 177 T 4.5631 8.2178 115.4511 59.7105 70.9505 175.0127 178 S 4.4816 8.5452 113.9181 59.8055 63.1830 174.0200 179 N 5.1004 8.2417 118.3316 53.4933 39.5349 174.0007 180 M 5.5789 8.0662 117.7276 53.9006 36.2962 174.5217 181 F 5.0905 8.6482 114.6529 55.9750 42.1074 172.4544 182 C 5.5285 9.0333 116.5360 55.7288 39.8364 172.6535 183 A 5.0114 9.1008 122.0391 51.0976 22.5881 176.6892 184 G 3.7220 6.8573 106.8207 44.6767 0.0000 172.1751 184A Y 4.6254 8.3174 119.3182 56.0135 40.4924 176.5023 185 L 4.1869 8.6052 125.7956 57.2342 42.0133 178.8212 186 E 4.0026 8.2086 115.0837 56.9991 29.9529 177.3468 187 G 3.8629 7.7130 106.4704 45.5241 0.0000 172.5032 188 G 4.1052 9.3646 106.0960 44.5857 0.0000 173.5965 188A K 5.0292 7.2510 117.3624 54.8128 35.3656 175.2792 189 D 4.6169 8.7050 123.2797 54.0264 45.7262 174.8548 190 S 4.9855 8.7932 116.4999 57.9161 65.2927 173.0241 191 C 4.7558 9.2565 118.8817 55.2563 44.9704 172.1885 192 Q 4.3029 8.6727 121.0082 58.1547 28.7947 176.5311 193 G 4.3371 9.2810 112.0350 45.9682 0.0000 174.2054 194 D 4.6586 8.5296 118.6334 55.5306 41.6358 176.6724 195 S 4.4744 8.1157 115.0656 60.4945 63.3899 175.3124 196 G 4.0524 8.8564 112.8844 46.4295 0.0000 173.7471 197 G 4.4476 7.9040 107.3829 44.8897 0.0000 171.2370 198 P 5.1010 0.0000 0.0000 62.4127 33.5194 175.8330 199 V 4.5781 8.4013 120.9323 61.4540 34.3528 174.0133 200 V 4.9000 8.7140 128.7553 61.2347 33.9689 173.6826 201 C 5.1502 8.7649 124.4987 55.8474 44.0087 174.5184 202 S 3.6187 9.8314 118.8205 59.6856 60.2197 172.9786 203 G 3.9236 8.4187 103.4384 46.0038 0.0000 174.0217 204 K 4.6700 7.7757 117.7130 52.8913 35.2571 175.6287 *209 L 4.2895 8.2688 122.6971 55.4453 42.1923 175.8024 210 Q 4.5048 8.7605 125.9603 56.6467 30.8277 175.8080 211 G 5.3915 8.0184 104.4919 45.7724 0.0000 171.3642 212 I 5.0450 8.1901 119.4241 58.8874 41.0697 175.4337 213 V 3.8170 8.9544 127.4574 63.8455 31.7975 174.1254 214 S 4.8549 8.5151 120.9363 58.6614 64.3949 174.5155 215 W 5.0198 7.4247 114.4252 56.4119 31.7784 172.5272 216 G 3.9526 8.4320 106.3619 46.7105 0.0000 173.3804 217 S 4.6691 8.3850 116.7748 57.0454 62.9672 173.9138 *219 G 4.1511 8.0050 115.4754 45.5598 0.0000 170.9685 220 C 4.9973 8.1261 114.8627 56.4478 44.4195 173.8552 221 A 3.9902 9.0112 125.6997 53.1608 16.8698 176.8609 221A Q 4.5725 7.2995 116.6332 55.9802 30.0119 176.0880 222 K 4.2407 8.4547 122.0495 57.9783 32.7179 176.1041 223 N 4.2224 9.2916 120.8938 53.9601 36.9902 175.2923 224 K 4.2552 7.5768 117.7988 53.4646 32.1597 173.7702 225 P 4.6309 0.0000 0.0000 62.0296 33.2604 176.5968 226 G 3.7374 8.4967 107.0182 45.7646 0.0000 172.8827 227 V 4.4128 7.4996 121.5209 60.6720 34.1004 174.1117 228 Y 4.9050 8.0619 124.3336 56.0169 42.0315 174.9982 229 T 4.4407 8.4841 119.3859 63.5518 70.2068 174.4956 230 K 5.1446 9.2051 127.9271 55.3271 31.2363 177.2339 231 V 3.9583 8.7893 125.9632 65.8307 31.4027 174.8483 232 C 4.3018 8.3502 112.7364 58.3853 41.4337 174.8675 233 N 4.2730 7.9858 116.6151 54.3350 38.4969 175.0450 234 Y 4.8201 7.9417 117.7721 57.5263 39.2208 177.6238 235 V 3.6885 8.0228 121.7577 66.2700 31.5156 178.1063 236 S 4.1212 8.1011 114.4194 61.2527 62.6742 176.2981 237 W 4.1482 8.2831 130.5392 60.4778 30.4954 177.8234 238 I 3.1763 8.2270 119.8873 64.2148 36.6215 178.4689 239 K 3.7340 8.0890 119.2641 59.5405 31.8947 179.4271 240 Q 3.8697 8.1768 118.3918 59.2523 28.4348 179.0293 241 T 3.5345 7.3151 115.5206 66.5732 68.7688 176.4928 242 I 2.7056 7.2126 121.4740 63.8771 36.7255 178.3492 243 A 3.9965 7.5871 120.8594 54.4927 18.2223 178.7970 244 S 4.6033 7.5853 109.9111 58.3515 63.5084 174.1449 245 N 4.6832 7.9685 125.1805 53.8847 39.2573 174.0399 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 16 I 7.88 4.30 1.80 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 1.40 0.81 0.93 0.00 0.00 17 V 8.52 4.42 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 1.02 0.00 0.00 0.91 0.00 0.00 18 G 8.43 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 0.00 0.00 0.00 19 G 7.74 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 0.00 0.00 0.00 0.00 20 Y 7.75 4.97 0.00 2.92 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 21 T 8.58 4.32 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 1.25 0.00 0.00 22 C 8.66 4.36 0.00 2.76 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.66 4.10 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 0.00 24 A 8.58 4.14 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 25 N 8.80 4.24 0.00 2.83 2.89 0.00 0.00 7.25 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.49 4.21 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 1.35 0.00 0.00 27 V 7.05 4.04 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 0.30 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.55 0.00 2.37 2.43 0.00 3.76 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 2.17 1.95 0.00 29 Y 6.69 4.91 0.00 3.19 3.40 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 30 Q 7.31 4.58 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 1.91 2.53 0.00 31 V 8.95 4.86 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 0.85 0.00 0.00 1.00 0.00 0.00 32 S 8.73 4.94 0.00 3.01 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.44 4.61 0.00 0.56 0.91 0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.00 5.87 0.00 2.41 2.45 0.00 0.00 6.53 7.90 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 *37 S 8.49 4.41 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.53 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.75 4.50 0.00 3.04 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 40 H 8.89 4.57 0.00 2.86 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.76 4.97 0.00 3.01 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 42 C 6.80 4.69 0.00 2.24 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 43 G 8.52 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 44 G 7.96 4.50 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 0.00 0.00 0.00 45 S 8.73 5.50 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.11 4.66 0.00 1.88 1.68 1.08 0.86 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 47 I 8.62 4.51 1.90 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 1.57 0.91 1.01 0.00 0.00 48 N 7.63 4.87 0.00 3.01 3.00 0.00 0.00 6.13 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 49 S 8.70 4.37 0.00 4.05 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 50 Q 9.16 4.54 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 51 W 8.40 5.55 0.00 3.37 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 52 V 9.05 5.19 2.14 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 1.08 0.00 0.00 0.98 0.00 0.00 53 V 8.74 4.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.02 0.00 0.00 54 S 8.97 5.11 0.00 3.88 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 55 A 8.50 4.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 3.81 0.25 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 57 H 8.29 4.52 0.00 3.36 3.54 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.89 4.74 0.00 3.18 3.29 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 59 Y 7.80 4.11 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 6.33 3.57 0.00 1.49 1.35 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 0.88 7.81 61 S 8.21 4.34 0.00 3.94 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 62 G 8.32 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.46 4.37 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 1.37 1.01 0.91 0.00 0.00 64 Q 8.71 4.79 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 65 V 8.78 4.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 65A R 8.88 5.09 0.00 1.52 1.71 0.00 2.65 0.00 0.00 2.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.16 0.00 66 L 8.99 4.78 0.00 1.63 1.61 0.96 1.05 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 *69 G 8.24 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 70 E 8.43 4.61 0.00 2.08 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 2.36 2.04 0.00 71 D 8.28 4.80 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.97 5.02 0.00 2.82 2.82 0.00 0.00 6.77 7.86 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 73 I 8.31 3.73 1.46 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 -0.50 0.00 0.00 74 N 8.43 4.75 0.00 2.83 2.89 0.00 0.00 6.65 7.62 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 75 V 7.36 4.38 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 0.73 0.00 0.00 0.99 0.00 0.00 76 V 8.39 4.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 77 E 9.66 4.54 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 78 G 8.80 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.99 4.61 0.00 2.93 3.13 0.00 0.00 6.98 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.64 4.59 0.00 1.58 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 2.61 2.61 0.00 81 Q 9.06 4.43 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 82 F 8.86 5.50 0.00 2.78 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 83 I 8.67 4.70 1.87 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 1.25 0.78 0.95 0.00 0.00 84 S 8.65 4.66 0.00 3.75 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 85 A 8.18 4.45 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.12 4.44 0.00 3.72 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 87 K 7.56 4.75 0.00 1.87 1.84 0.00 1.62 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.41 7.81 88 S 8.74 5.17 0.00 4.08 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 89 I 9.20 4.50 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 1.10 0.00 0.00 90 V 8.35 4.27 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 0.61 0.00 0.00 0.78 0.00 0.00 91 H 8.58 3.82 0.00 2.83 3.08 0.00 5.65 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 92 P 0.00 4.33 0.00 2.07 2.13 0.00 3.17 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 93 S 7.96 4.71 0.00 3.90 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 94 Y 8.02 4.32 0.00 3.02 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 95 N 8.02 4.48 0.00 2.59 2.43 0.00 0.00 6.58 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.82 3.86 0.00 3.94 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 97 N 8.49 4.41 0.00 2.69 2.79 0.00 0.00 6.77 7.16 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 98 T 7.72 4.05 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 1.15 0.00 0.00 99 L 7.85 3.78 0.00 1.53 1.92 0.76 1.38 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 0.00 100 N 7.68 4.51 0.00 2.74 2.64 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.63 5.11 0.00 3.03 2.55 0.00 0.00 7.22 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 0.00 102 D 7.88 4.75 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 0.00 103 I 7.12 4.83 1.47 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.22 0.00 0.00 104 M 9.12 5.40 0.00 2.24 1.82 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 105 L 9.10 5.40 0.00 1.81 1.87 0.22 0.72 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 0.00 106 I 8.91 5.03 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.88 0.00 0.00 107 K 8.56 3.69 0.00 0.79 1.07 0.00 1.30 0.00 0.00 1.33 0.00 0.00 2.63 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.62 0.21 7.81 108 L 8.13 4.46 0.00 1.47 1.54 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.88 4.15 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 110 S 7.72 4.66 0.00 3.93 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 0.00 111 A 8.32 4.44 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.82 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.03 4.58 0.00 3.75 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 0.00 114 L 8.45 4.70 0.00 1.66 1.62 0.99 1.08 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 0.00 115 N 8.77 4.46 0.00 2.71 2.63 0.00 0.00 6.91 7.60 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 0.00 116 S 8.84 4.50 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 9.09 4.25 0.00 2.04 2.02 0.00 3.12 0.00 0.00 3.10 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.57 4.94 0.00 4.00 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 0.00 128 C 8.40 4.46 0.00 2.94 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 0.00 129 A 7.95 4.57 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.02 4.43 0.00 3.83 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 *132 A 8.14 4.31 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 0.00 133 G 9.02 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 0.00 134 T 7.61 3.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 135 Q 8.57 4.79 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 C 9.34 5.27 0.00 2.78 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 0.00 137 L 8.93 5.18 0.00 1.77 1.57 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.07 5.26 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.64 0.98 0.00 0.00 139 S 8.71 4.92 0.00 3.50 3.59 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 0.00 140 G 7.31 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 0.00 0.00 0.00 141 W 8.48 4.59 0.00 3.14 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 0.00 142 G 8.36 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 0.00 0.00 0.00 143 N 8.84 3.78 0.00 2.27 2.67 0.00 0.00 7.02 7.46 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 0.00 144 T 8.21 5.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 145 K 7.81 4.63 0.00 1.86 1.68 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.28 1.31 7.81 146 S 8.60 4.38 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.89 4.39 0.00 3.83 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 0.00 148 G 8.45 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 0.00 149 T 8.16 4.56 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 1.32 0.00 0.00 150 S 9.18 4.34 0.00 3.74 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 0.00 151 Y 8.56 4.93 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.70 0.00 2.45 2.12 0.00 4.18 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 2.19 2.05 0.00 153 D 8.70 4.68 0.00 2.80 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 0.00 154 V 7.39 5.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 155 L 8.64 3.13 0.00 1.19 1.26 -0.78 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.24 4.91 0.00 1.68 1.51 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 C 8.48 5.30 0.00 1.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.51 4.96 0.00 1.70 1.44 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.96 5.16 0.00 1.82 1.82 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 160 A 9.27 4.94 1.19 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 0.00 0.00 161 P 0.00 5.07 0.00 2.03 2.28 0.00 3.15 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 1.77 1.78 0.00 162 I 8.27 4.45 1.75 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.77 0.00 0.00 163 L 8.80 4.89 0.00 1.52 1.60 0.92 0.84 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 0.00 164 S 8.38 4.43 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 0.00 165 D 8.71 4.43 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 0.00 166 S 8.03 4.15 0.00 4.05 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 0.00 167 S 7.92 4.13 0.00 3.85 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 0.00 168 C 8.26 4.30 0.00 3.20 3.31 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 0.00 169 K 8.52 3.99 0.00 1.95 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.66 7.81 170 S 8.37 4.23 0.00 3.97 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 0.00 171 A 7.82 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.83 4.87 0.00 3.11 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 0.00 173 P 0.00 4.58 0.00 2.21 2.11 0.00 3.63 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 174 G 9.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.28 4.57 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 176 I 7.85 4.49 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.99 1.00 0.00 0.00 177 T 8.22 4.56 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 1.28 0.00 0.00 178 S 8.55 4.48 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.24 5.10 0.00 2.98 3.11 0.00 0.00 6.70 7.46 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 0.00 180 M 8.07 5.58 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.65 5.09 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.03 5.53 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.10 5.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 6.86 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 184A Y 8.32 4.63 0.00 3.00 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 0.00 185 L 8.61 4.19 0.00 1.73 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.00 0.00 2.10 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 0.00 2.32 2.27 0.00 187 G 7.71 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 0.00 0.00 0.00 188 G 9.36 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 0.00 0.00 0.00 188A K 7.25 5.03 0.00 1.40 1.64 0.00 0.67 0.00 0.00 1.29 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.16 7.81 189 D 8.71 4.62 0.00 2.81 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 0.00 190 S 8.79 4.99 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 0.00 191 C 9.26 4.76 0.00 2.95 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 0.00 192 Q 8.67 4.30 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 5.27 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 193 G 9.28 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 0.00 0.00 0.00 194 D 8.53 4.66 0.00 2.99 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 0.00 195 S 8.12 4.47 0.00 3.98 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 0.00 196 G 8.86 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 0.00 197 G 7.90 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 0.00 198 P 0.00 5.10 0.00 2.28 2.32 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 199 V 8.40 4.58 2.27 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 0.82 0.00 0.00 0.62 0.00 0.00 200 V 8.71 4.90 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 0.88 0.00 0.00 0.59 0.00 0.00 201 C 8.76 5.15 0.00 2.80 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 0.00 202 S 9.83 3.62 0.00 3.92 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 0.00 203 G 8.42 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.78 4.67 0.00 1.77 1.63 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.40 7.81 *209 L 8.27 4.29 0.00 1.51 1.64 0.98 0.75 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 0.00 210 Q 8.76 4.50 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.34 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 211 G 8.02 5.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.19 5.05 1.92 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 1.30 1.04 1.01 0.00 0.00 213 V 8.95 3.82 2.29 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 0.97 0.00 0.00 1.20 0.00 0.00 214 S 8.52 4.85 0.00 3.89 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 0.00 215 W 7.42 5.02 0.00 3.33 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 0.00 216 G 8.43 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 0.00 217 S 8.39 4.67 0.00 4.18 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 *219 G 8.01 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 0.00 0.00 0.00 0.00 220 C 8.13 5.00 0.00 2.95 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 0.00 221 A 9.01 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.30 4.57 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 222 K 8.45 4.24 0.00 1.72 1.72 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 223 N 9.29 4.22 0.00 2.81 2.81 0.00 0.00 6.75 8.20 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 0.00 224 K 7.58 4.26 0.00 1.77 1.81 0.00 1.66 0.00 0.00 1.43 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 225 P 0.00 4.63 0.00 2.13 2.11 0.00 3.53 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 2.11 1.98 0.00 226 G 8.50 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 0.00 227 V 7.50 4.41 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 -0.69 0.00 0.00 228 Y 8.06 4.91 0.00 1.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.48 4.44 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 1.22 0.00 0.00 230 K 9.21 5.14 0.00 2.12 1.91 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.63 7.81 231 V 8.79 3.96 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 1.18 0.00 0.00 1.12 0.00 0.00 232 C 8.35 4.30 0.00 3.16 3.23 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 0.00 233 N 7.99 4.27 0.00 2.27 2.39 0.00 0.00 6.95 7.16 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 0.00 234 Y 7.94 4.82 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 8.02 3.69 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 1.12 0.00 0.00 1.12 0.00 0.00 236 S 8.10 4.12 0.00 3.98 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 0.00 237 W 8.28 4.15 0.00 3.50 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 0.00 238 I 8.23 3.18 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.77 0.00 0.00 239 K 8.09 3.73 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.55 7.81 240 Q 8.18 3.87 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 241 T 7.32 3.53 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 242 I 7.21 2.71 1.40 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.16 0.32 0.00 0.00 243 A 7.59 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.59 4.60 0.00 4.03 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 0.00 245 N 7.97 4.68 0.00 3.07 3.02 0.00 0.00 6.74 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.