NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 3.1452 8.1500 119.0396 55.5243 29.5386 174.5921 5 K 4.0744 7.5364 119.1075 56.4244 35.2957 174.5069 6 G 4.1651 9.0024 107.3248 45.4049 0.0000 172.8807 7 L 5.0062 8.3308 118.6750 54.9147 43.4698 176.8707 8 A 4.6121 9.2249 122.8987 50.2412 21.5587 174.9261 9 I 4.2620 8.6084 122.9237 61.9052 38.8790 175.6822 10 I 5.1340 8.5934 127.3677 59.7353 40.5169 175.1574 11 T 4.3623 8.5856 117.7820 61.3476 70.3820 174.5256 12 G 3.9306 8.7734 108.5167 46.6311 0.0000 175.8293 13 A 4.1198 7.8571 124.9805 54.3008 18.4894 180.5990 14 S 4.4102 7.9538 108.7229 59.7159 63.8508 173.6490 15 Q 4.5119 7.6730 119.3751 54.8628 33.9252 179.4012 16 G 4.0161 7.8333 105.2386 44.7548 0.0000 176.6489 17 I 3.6646 8.7570 128.9395 63.9729 37.4694 176.7999 18 G 3.9945 8.2856 106.9191 47.1577 0.0000 175.4231 19 A 4.4409 8.3105 124.9192 54.4980 18.5847 179.8428 20 V 3.4958 7.9987 117.0896 66.3472 31.5851 178.3520 21 I 3.7390 7.9025 119.1968 63.8245 36.9924 178.3392 22 A 3.9246 7.9199 121.7332 55.2008 18.1731 179.6194 23 A 4.1302 8.2876 119.2265 54.7443 18.2243 180.1468 24 G 3.5123 7.8311 104.4461 47.8246 0.0000 175.9407 25 L 4.3896 8.1406 120.7366 56.6998 41.7326 179.3390 26 A 4.3302 7.8093 122.3561 55.0393 18.1260 179.8087 27 T 3.8832 7.4801 113.2399 66.7349 68.5884 176.2643 28 D 4.5323 7.6209 119.4483 54.9608 40.9535 176.6584 29 G 3.9925 7.6305 106.7170 46.2894 0.0000 174.2798 30 Y 4.3616 7.9054 117.5323 58.0666 39.6187 175.5256 31 R 4.4759 9.0230 123.2779 55.0316 31.1624 175.4894 32 V 4.3279 8.2785 127.2674 62.5526 33.5066 174.9571 33 V 4.4914 8.8372 127.8271 61.1480 33.2455 174.8801 34 L 4.4851 8.8184 130.2157 54.4164 42.3683 175.9838 35 I 4.8810 8.4227 125.4051 58.5024 38.5293 175.4143 36 A 4.5732 7.5616 127.6933 53.4084 23.1847 176.2834 37 R 4.3125 8.7903 109.8205 58.6768 32.4929 176.5919 38 S 4.1340 7.8570 118.5860 58.9474 62.2960 174.9151 39 K 4.5098 8.2249 132.4878 55.2574 31.6501 175.8934 40 Q 4.6801 7.6184 121.3356 56.8700 35.5545 175.7185 41 N 4.4244 8.0245 113.3342 55.7725 39.0133 177.1635 42 L 4.0922 8.6182 120.9448 57.7995 41.7178 178.9566 43 E 3.9138 8.2584 117.8317 59.7252 29.5036 179.3276 44 K 3.7717 7.6506 118.8019 59.7772 32.2097 178.9853 45 V 3.6283 8.4365 118.7022 66.0579 31.1872 177.1527 46 H 4.0819 8.1121 116.7872 59.3971 29.7855 176.1645 47 D 4.4818 8.7388 120.8479 57.7892 40.8895 178.5200 48 E 4.0831 7.9144 116.8562 59.6481 29.7484 179.3988 49 I 3.4113 7.6205 120.2640 62.8063 38.0695 177.0694 *51 R 4.3376 7.7999 118.2297 55.8415 31.2271 175.5744 52 S 4.6772 8.0879 107.3667 58.1166 64.6074 173.4380 53 N 5.0272 7.7832 117.7151 51.2401 41.8199 174.2697 54 K 3.9589 8.7627 123.6474 59.2843 32.5222 177.0325 55 H 4.8544 7.7590 115.0108 54.3556 32.1013 172.8414 56 V 4.4874 8.1497 123.2599 60.8080 34.4502 175.9444 57 Q 3.9612 8.6934 125.0671 56.9526 28.8241 173.0698 58 E 3.9540 7.8901 125.9254 54.8434 31.2770 172.2198 59 P 4.6014 0.0000 0.0000 62.8171 32.7053 176.2115 60 I 4.1299 8.8633 123.9711 59.5061 38.7064 175.4572 61 V 3.8643 8.2683 128.4113 62.6782 31.9555 175.5017 62 L 4.6954 8.4904 132.0594 51.8342 41.9749 172.2634 63 P 4.4285 0.0000 0.0000 62.6250 32.0347 175.1275 64 L 4.2889 9.6824 123.6951 54.6884 45.9984 173.8726 65 D 4.7566 8.3844 124.5679 52.0681 40.8261 176.6401 66 I 3.6871 8.3058 120.6657 63.6442 37.4938 177.7195 67 T 3.9914 8.1745 117.0700 65.6481 69.0205 174.7137 68 D 4.6308 8.5486 124.7319 52.7980 39.7230 175.9421 69 C 3.7542 7.8940 122.8274 63.0724 28.7078 175.8442 70 T 3.8450 7.9287 110.3528 64.9644 68.2075 175.9369 71 K 3.8688 8.1933 122.3369 58.8322 32.3356 178.2158 72 A 4.0161 8.5392 121.3682 55.4313 18.2699 179.1573 73 D 4.3080 8.4236 116.5650 57.4714 41.1617 178.7132 74 T 3.8287 7.8227 116.3828 66.6449 68.5573 176.2542 75 E 3.9819 8.4756 120.8624 59.7069 29.5318 179.7357 76 I 3.7396 7.7174 119.3390 64.3485 37.1670 178.5259 77 K 3.9672 7.9573 119.1893 59.6576 31.9265 178.9024 78 D 4.3818 8.4114 119.2652 57.7393 40.8129 179.1542 79 I 3.9505 7.8990 119.9546 64.6442 37.1912 177.9557 80 H 4.4196 8.4325 119.2639 58.8826 29.4261 177.1781 81 Q 3.9376 7.9642 121.1304 58.8258 28.9767 177.9780 82 K 3.8722 7.8419 118.3327 59.1605 32.2275 177.7222 83 Y 4.5907 7.6013 113.1772 57.5208 38.7068 177.0543 84 G 3.8740 7.6085 105.0663 44.4879 0.0000 173.6390 85 A 4.3680 8.4964 123.3848 51.9964 19.2718 176.7570 86 V 4.5425 8.9254 120.8265 61.4808 32.7063 175.2782 87 D 4.8429 8.6921 127.3139 55.6615 42.6821 176.7857 88 I 5.2461 7.5608 117.6829 59.4046 42.1818 174.1767 89 L 5.0659 8.9702 127.0304 53.4641 45.4007 175.2674 90 V 4.7975 8.9841 127.8063 61.4291 33.7610 174.4637 91 N 4.6432 9.4285 127.8803 52.1021 38.1041 175.0452 92 A 4.7593 8.2740 122.6415 51.1651 20.2506 176.2378 93 A 4.1050 8.0454 119.9664 52.9114 19.8838 180.0542 94 A 4.4167 8.0654 128.5568 51.8081 18.3594 175.9306 *96 F 4.3403 8.2585 117.5988 59.2088 40.1645 173.9862 *103 E 4.1105 8.3883 117.0427 55.8314 31.5294 174.4929 104 P 4.1076 0.0000 0.0000 66.3193 31.3595 178.4686 105 V 3.7014 8.0602 115.6290 66.6908 31.5484 177.8524 106 D 4.3949 8.6992 118.4513 57.7467 40.6048 178.9403 107 N 4.3542 8.2685 116.6964 56.2499 38.3439 177.2261 108 F 4.4541 8.2176 121.0197 61.4066 39.5506 176.7926 109 R 3.7074 7.9764 117.4252 59.2089 30.1577 178.1314 110 K 4.0424 7.9223 119.4955 59.1784 32.1303 178.6296 111 I 3.6444 7.8275 119.3646 61.5220 37.2104 177.7362 *113 E 4.1311 8.1278 121.3897 56.4108 31.1422 177.9008 114 I 3.7354 7.4958 117.8163 64.1364 37.2801 177.2315 115 N 4.6224 8.1057 116.6251 54.7668 39.2459 176.3679 116 V 4.2173 7.6490 115.2487 64.4803 33.0988 177.4926 117 I 3.6631 7.5905 118.5689 64.3378 37.0774 177.9833 118 A 4.0068 8.0810 121.5244 55.3196 18.1569 179.3167 119 Q 3.9361 8.1351 117.4581 59.6955 29.0714 177.8670 120 Y 4.0956 8.4124 120.7840 60.4384 38.7724 178.3504 121 G 3.5577 8.3528 106.8856 47.8017 0.0000 175.7804 122 I 3.7058 7.7680 122.6551 64.0292 37.1568 178.5599 123 L 3.8915 8.0194 119.9239 57.4520 41.1708 179.2897 124 K 3.5701 7.8133 119.7000 59.8214 31.5788 178.9236 125 T 3.8377 7.7616 115.5767 66.8079 68.2406 177.1154 126 V 3.6652 7.7452 118.7385 66.1063 31.5515 177.8847 127 T 4.0162 8.1551 115.4709 66.2445 68.3800 176.3564 128 E 4.1445 7.8590 120.6062 59.3282 28.9252 179.9035 129 I 3.6919 7.0845 114.6008 62.1213 36.8795 177.6498 *131 K 4.1921 8.0624 124.3408 56.4372 33.5996 178.0328 132 V 3.6974 7.4535 117.5979 65.3420 31.5507 176.7618 133 Q 4.1408 7.8928 117.3753 55.9597 28.9847 176.8995 134 K 4.1361 7.8715 115.0228 55.7520 30.2974 174.1044 135 N 5.0336 6.4195 113.6821 53.0663 42.2030 173.5343 136 G 4.4169 7.4053 110.7912 44.3991 0.0000 170.9368 137 Y 4.9793 8.2960 121.0156 55.8765 42.3699 173.6088 138 I 4.9927 9.3515 128.1071 59.6033 39.9538 174.4928 139 F 5.4036 9.4860 125.7358 55.7227 42.0210 173.8751 140 N 5.2424 9.2114 121.1144 51.4200 41.2898 173.7712 141 V 4.4830 8.5468 124.1858 60.9387 32.2387 174.8305 142 A 4.6984 8.7689 135.0000 52.2289 20.3966 174.8301 143 S 4.3180 9.0463 114.8981 58.4325 66.5692 177.6846 144 R 4.2314 6.1821 119.9329 56.9741 27.9009 174.8604 *152 D 4.3932 8.5836 122.3807 52.6484 40.7966 176.5097 153 G 3.6331 8.9970 105.3425 47.0917 0.0000 175.2025 154 G 3.8304 8.1783 106.7923 44.9848 0.0000 176.1743 155 I 3.4062 7.4816 120.3572 64.5799 37.0448 177.4733 156 Y 4.3093 8.3630 119.7187 60.7006 38.5868 178.4753 157 G 3.3292 8.0252 106.0227 47.8348 0.0000 175.3053 158 S 4.0146 8.0469 116.2122 61.2987 62.4169 176.4740 159 T 3.9205 7.9503 118.2657 66.3996 68.3433 176.5645 160 K 3.8306 8.0102 121.6673 59.7498 32.2505 178.9262 161 F 4.1576 8.8052 117.9286 60.2071 38.8854 177.4825 162 A 4.0652 8.3166 120.7028 55.2820 18.0869 179.7189 163 L 3.9842 7.8397 116.8435 57.7942 41.6698 179.6768 164 L 4.0181 7.7755 118.5751 57.9357 41.7201 179.8870 165 G 3.7268 8.6394 105.7638 47.5227 0.0000 175.5402 166 L 3.9588 7.8311 121.9749 58.0016 42.1293 178.6921 167 A 3.9816 8.2411 121.0180 55.3535 18.2189 179.1243 168 E 3.8703 8.7176 117.3206 59.8862 29.7142 179.8274 169 S 4.1473 8.0321 112.5323 61.4214 62.4060 176.1810 170 L 4.0114 8.0055 121.7850 57.7365 41.1968 178.4760 171 Y 4.0724 8.3492 119.8852 61.1842 38.4600 178.7746 172 R 3.8216 7.7771 117.7190 58.8507 30.3131 178.3374 173 E 4.2212 7.9359 115.0058 57.7024 30.3998 177.6956 174 L 4.2889 8.0482 119.3626 55.6151 42.1741 178.5136 175 A 3.9367 7.2723 122.8961 54.1044 18.1683 177.8007 176 P 4.2145 0.0000 0.0000 64.6457 31.7107 177.0953 177 L 4.4093 7.7449 117.5360 54.1844 41.7668 177.8917 178 G 4.0329 8.2344 107.0071 46.2559 0.0000 173.0832 179 I 4.5132 7.4456 121.3571 59.7255 39.1673 174.9834 180 R 4.3935 8.1593 125.3738 54.2521 32.8587 175.3020 181 V 4.9037 8.0590 120.9723 61.5871 34.7821 174.8215 182 T 5.0743 8.9516 123.3879 62.4893 73.0412 172.6933 183 T 5.0350 8.9465 123.4403 61.9907 70.9568 173.4836 184 L 5.0677 9.5386 127.4744 53.7198 43.9140 175.4731 185 C 5.0563 9.4610 123.2674 57.3466 28.8677 171.3205 186 P 5.4504 0.0000 0.0000 59.9776 33.5144 178.3457 187 G 4.4751 8.5659 114.8888 45.8948 0.0000 177.3896 188 W 4.5098 9.3419 123.5669 56.1772 29.7887 175.3274 189 V 4.9886 8.3101 118.9693 61.2829 33.7068 173.4397 190 N 4.6493 8.8657 118.0729 53.3804 38.5584 177.5785 *203 D 4.3369 9.1637 121.6126 53.5645 41.7617 174.2636 204 E 4.6106 8.4436 127.0918 56.7730 29.9936 176.6389 205 E 4.4325 7.9182 115.1795 56.1389 30.4397 175.1041 *207 I 3.9429 7.6440 117.2293 60.5903 38.4414 175.4954 208 Q 4.2815 8.4363 124.3300 54.8980 29.5857 175.6844 209 P 4.1586 0.0000 0.0000 65.8222 31.2313 178.7609 210 D 4.4170 7.9946 116.9503 56.9165 40.6802 178.2208 211 D 4.3231 8.0887 120.1247 57.1565 40.6254 178.6200 212 L 3.7578 7.5574 119.1586 57.2167 41.7059 179.0744 213 L 3.7796 7.6278 119.8866 58.3192 42.1361 178.9017 214 N 4.3729 8.3294 116.5078 56.5031 38.4194 177.6293 215 T 4.0301 7.7958 117.0217 66.3514 68.5010 177.0179 216 I 3.4433 7.3152 121.9576 64.2576 36.8490 178.4382 217 R 3.9126 7.6485 117.6036 59.4631 30.3086 178.2987 218 C 4.2796 8.1751 118.2423 62.4383 31.5687 175.5944 219 L 4.1440 7.9799 120.4751 58.0401 41.1004 179.6059 220 L 4.3332 8.3723 117.5853 57.2143 41.6133 177.7733 221 N 4.7574 7.7289 113.6311 53.1300 39.1137 175.0590 222 L 4.3351 7.5862 118.4211 53.8908 42.6773 176.7943 223 S 4.2870 8.5085 115.5082 58.9548 63.1513 175.8253 224 E 4.0262 8.7379 122.8904 58.7073 29.5675 177.2601 225 N 4.7264 8.0389 113.7927 52.8380 39.0091 174.2982 226 V 4.1458 7.4008 118.8817 61.6379 32.5390 174.9777 227 C 4.7837 8.6039 123.9059 57.9682 30.7410 173.2474 228 I 4.4664 8.3903 125.5743 59.1623 38.7344 175.2065 229 K 3.6373 8.6851 127.7477 58.7864 32.7019 175.8356 230 D 5.0740 7.4130 115.0481 52.8001 42.1847 174.4733 231 I 4.4450 8.3985 119.3242 59.5217 41.0824 174.6546 232 V 4.5876 8.2407 126.9663 61.4262 32.9625 174.7097 233 F 4.6592 9.0947 127.8578 56.0151 40.0501 173.9948 234 E 4.8563 8.7171 125.4872 56.1506 30.6829 176.7534 *236 K 4.3699 8.6504 121.6701 57.5381 32.7018 178.0345 237 K 3.8635 8.1404 117.5375 59.7026 32.1338 179.1129 238 S 4.3516 8.0497 111.8455 61.1008 62.7798 174.9385 239 I 3.9130 7.7313 120.7423 63.8776 37.0246 175.9090 240 I 4.1980 7.0902 121.4935 61.4558 37.8389 175.1583 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 4 Q 8.15 3.15 0.00 1.72 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 5 K 7.54 4.07 0.00 1.66 1.75 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.57 7.81 6 G 9.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.33 5.01 0.00 1.77 1.64 1.06 1.11 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 8 A 9.22 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.61 4.26 1.88 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 1.24 0.59 0.92 0.00 0.00 10 I 8.59 5.13 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.92 0.00 0.00 11 T 8.59 4.36 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 12 G 8.77 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.86 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.95 4.41 0.00 3.91 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 15 Q 7.67 4.51 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.99 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 16 G 7.83 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 17 I 8.76 3.66 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.87 0.00 0.00 18 G 8.29 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 19 A 8.31 4.44 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 20 V 8.00 3.50 2.15 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 0.98 0.00 0.00 0.94 0.00 0.00 21 I 7.90 3.74 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.75 0.00 0.00 22 A 7.92 3.92 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 23 A 8.29 4.13 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 24 G 7.83 3.51 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 0.00 0.00 0.00 25 L 8.14 4.39 0.00 1.71 1.80 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.81 4.33 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 27 T 7.48 3.88 4.39 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 1.20 0.00 0.00 28 D 7.62 4.53 0.00 2.94 2.77 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 29 G 7.63 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 30 Y 7.91 4.36 0.00 3.09 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 31 R 9.02 4.48 0.00 2.06 1.85 0.00 3.08 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 32 V 8.28 4.33 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 0.94 0.00 0.00 1.02 0.00 0.00 33 V 8.84 4.49 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 0.91 0.00 0.00 0.90 0.00 0.00 34 L 8.82 4.49 0.00 1.63 1.61 0.94 0.63 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 35 I 8.42 4.88 2.00 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 1.12 1.64 0.92 0.00 0.00 36 A 7.56 4.57 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 37 R 8.79 4.31 0.00 1.78 1.95 0.00 3.24 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 38 S 7.86 4.13 0.00 3.89 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 39 K 8.22 4.51 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.42 7.81 40 Q 7.62 4.68 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 41 N 8.02 4.42 0.00 2.73 2.85 0.00 0.00 6.92 7.85 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 42 L 8.62 4.09 0.00 1.69 1.70 0.92 1.03 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 43 E 8.26 3.91 0.00 1.98 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 0.00 2.41 2.35 0.00 44 K 7.65 3.77 0.00 2.16 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 45 V 8.44 3.63 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 0.93 0.00 0.00 1.02 0.00 0.00 46 H 8.11 4.08 0.00 3.13 3.48 0.00 6.00 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.74 4.48 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.91 4.08 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 49 I 7.62 3.41 2.01 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 1.39 1.22 0.89 0.00 0.00 *51 R 7.80 4.34 0.00 2.00 2.11 0.00 3.16 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 52 S 8.09 4.68 0.00 3.93 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 53 N 7.78 5.03 0.00 2.66 2.69 0.00 0.00 6.95 7.61 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 54 K 8.76 3.96 0.00 1.61 1.73 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.05 7.81 55 H 7.76 4.85 0.00 3.13 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.15 4.49 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 1.08 0.00 0.00 0.97 0.00 0.00 57 Q 8.69 3.96 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 5.47 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 58 E 7.89 3.95 0.00 2.08 2.03 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 2.23 2.37 0.00 59 P 0.00 4.60 0.00 2.08 1.98 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 60 I 8.86 4.13 1.80 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.37 0.79 0.00 0.00 61 V 8.27 3.86 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 0.71 0.00 0.00 0.92 0.00 0.00 62 L 8.49 4.70 0.00 1.75 1.49 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.43 0.00 1.98 2.17 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 L 9.68 4.29 0.00 1.59 1.59 0.93 1.18 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 65 D 8.38 4.76 0.00 2.71 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 66 I 8.31 3.69 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 1.44 0.73 0.93 0.00 0.00 67 T 8.17 3.99 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 68 D 8.55 4.63 0.00 2.64 2.65 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 69 C 7.89 3.75 0.00 3.02 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 70 T 7.93 3.85 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 71 K 8.19 3.87 0.00 1.85 2.10 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 72 A 8.54 4.02 1.40 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 73 D 8.42 4.31 0.00 2.71 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 74 T 7.82 3.83 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 1.27 0.00 0.00 75 E 8.48 3.98 0.00 2.11 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 2.56 2.53 0.00 76 I 7.72 3.74 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 1.54 0.82 0.92 0.00 0.00 77 K 7.96 3.97 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.73 7.81 78 D 8.41 4.38 0.00 2.97 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 79 I 7.90 3.95 2.14 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 1.78 0.89 1.07 0.00 0.00 80 H 8.43 4.42 0.00 3.27 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.96 3.94 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 82 K 7.84 3.87 0.00 1.12 1.00 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.54 7.81 83 Y 7.60 4.59 0.00 3.05 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 84 G 7.61 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 0.00 0.00 0.00 85 A 8.50 4.37 1.39 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 86 V 8.93 4.54 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 0.85 0.00 0.00 0.96 0.00 0.00 87 D 8.69 4.84 0.00 2.84 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 88 I 7.56 5.25 1.64 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.95 0.00 0.00 89 L 8.97 5.07 0.00 1.74 1.50 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.98 4.80 2.06 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 0.89 0.00 0.00 0.90 0.00 0.00 91 N 9.43 4.64 0.00 2.78 2.93 0.00 0.00 6.34 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.27 4.76 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 93 A 8.05 4.10 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 94 A 8.07 4.42 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 *96 F 8.26 4.34 0.00 3.12 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 *103 E 8.39 4.11 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 104 P 0.00 4.11 0.00 2.20 2.06 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 105 V 8.06 3.70 2.37 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 1.20 0.00 0.00 0.99 0.00 0.00 106 D 8.70 4.39 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.27 4.35 0.00 3.12 2.95 0.00 0.00 6.67 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 0.00 108 F 8.22 4.45 0.00 2.92 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 0.00 109 R 7.98 3.71 0.00 1.88 2.06 0.00 3.26 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 110 K 7.92 4.04 0.00 1.88 1.91 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.29 7.81 111 I 7.83 3.64 2.11 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 1.51 0.63 1.10 0.00 0.00 *113 E 8.13 4.13 0.00 2.06 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 2.20 2.34 0.00 114 I 7.50 3.74 1.69 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.94 0.00 0.00 115 N 8.11 4.62 0.00 2.90 2.92 0.00 0.00 6.82 7.76 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 0.00 116 V 7.65 4.22 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 1.19 0.00 0.00 0.93 0.00 0.00 117 I 7.59 3.66 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.95 0.00 0.00 118 A 8.08 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.14 3.94 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 120 Y 8.41 4.10 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.35 3.56 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 0.00 0.00 0.00 122 I 7.77 3.71 1.99 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 1.52 0.88 0.90 0.00 0.00 123 L 8.02 3.89 0.00 1.51 1.61 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.81 3.57 0.00 1.27 1.72 0.00 1.34 0.00 0.00 1.48 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 125 T 7.76 3.84 4.33 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 1.24 0.00 0.00 126 V 7.75 3.67 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 0.81 0.00 0.00 0.97 0.00 0.00 127 T 8.16 4.02 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 1.15 0.00 0.00 128 E 7.86 4.14 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 2.29 2.63 0.00 129 I 7.08 3.69 1.93 0.00 0.00 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 0.98 1.08 0.63 0.00 0.00 *131 K 8.06 4.19 0.00 1.82 1.95 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 132 V 7.45 3.70 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 133 Q 7.89 4.14 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.02 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 134 K 7.87 4.14 0.00 1.99 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.30 7.81 135 N 6.42 5.03 0.00 2.70 2.64 0.00 0.00 7.09 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 0.00 136 G 7.41 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.30 4.98 0.00 2.99 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 0.00 138 I 9.35 4.99 1.84 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 1.22 0.78 0.92 0.00 0.00 139 F 9.49 5.40 0.00 2.84 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 0.00 140 N 9.21 5.24 0.00 2.70 2.74 0.00 0.00 6.10 7.30 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 0.00 141 V 8.55 4.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.92 0.00 0.00 142 A 8.77 4.70 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 0.00 0.00 143 S 9.05 4.32 0.00 3.80 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 0.00 144 R 6.18 4.23 0.00 2.22 2.44 0.00 3.22 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 *152 D 8.58 4.39 0.00 2.95 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 0.00 153 G 9.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.18 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 0.00 155 I 7.48 3.41 1.91 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 1.16 0.86 1.15 0.00 0.00 156 Y 8.36 4.31 0.00 3.14 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 0.00 157 G 8.03 3.33 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 0.00 0.00 0.00 158 S 8.05 4.01 0.00 3.93 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 0.00 159 T 7.95 3.92 4.39 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 1.26 0.00 0.00 160 K 8.01 3.83 0.00 1.38 1.96 0.00 1.48 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.38 7.81 161 F 8.81 4.16 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 0.00 162 A 8.32 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 7.84 3.98 0.00 1.89 1.75 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.78 4.02 0.00 1.74 1.57 0.55 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.64 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 0.00 0.00 0.00 166 L 7.83 3.96 0.00 2.04 1.96 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.24 3.98 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 0.00 168 E 8.72 3.87 0.00 2.12 2.03 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 2.44 2.41 0.00 169 S 8.03 4.15 0.00 4.05 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 0.00 170 L 8.01 4.01 0.00 2.09 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 8.35 4.07 0.00 3.09 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 0.00 172 R 7.78 3.82 0.00 1.96 1.99 0.00 3.28 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 173 E 7.94 4.22 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 174 L 8.05 4.29 0.00 1.65 1.64 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.27 3.94 0.98 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 0.00 176 P 0.00 4.21 0.00 1.99 2.07 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 177 L 7.74 4.41 0.00 1.82 1.59 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.23 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 0.00 179 I 7.45 4.51 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.81 0.00 0.00 180 R 8.16 4.39 0.00 0.67 0.83 0.00 2.77 0.00 0.00 2.94 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 181 V 8.06 4.90 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 0.87 0.00 0.00 0.90 0.00 0.00 182 T 8.95 5.07 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 1.37 0.00 0.00 183 T 8.95 5.03 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 1.27 0.00 0.00 184 L 9.54 5.07 0.00 1.65 1.88 0.98 0.25 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 0.00 185 C 9.46 5.06 0.00 2.88 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 0.00 186 P 0.00 5.45 0.00 2.01 1.82 0.00 3.79 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 1.88 1.84 0.00 187 G 8.57 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 W 9.34 4.51 0.00 3.29 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 0.00 189 V 8.31 4.99 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 0.80 0.00 0.00 0.95 0.00 0.00 190 N 8.87 4.65 0.00 2.74 2.19 0.00 0.00 6.07 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *203 D 9.16 4.34 0.00 2.59 2.72 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 0.00 204 E 8.44 4.61 0.00 1.95 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 2.43 2.28 0.00 205 E 7.92 4.43 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 *207 I 7.64 3.94 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.14 0.74 0.00 0.00 208 Q 8.44 4.28 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 209 P 0.00 4.16 0.00 2.11 2.05 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 210 D 7.99 4.42 0.00 2.66 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 0.00 211 D 8.09 4.32 0.00 2.73 2.65 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 0.00 212 L 7.56 3.76 0.00 1.64 1.50 0.73 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.63 3.78 0.00 1.68 1.72 0.83 0.61 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 0.00 214 N 8.33 4.37 0.00 2.80 2.85 0.00 0.00 7.10 7.48 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 0.00 215 T 7.80 4.03 4.51 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 1.42 0.00 0.00 216 I 7.32 3.44 1.68 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 0.70 0.40 -0.36 0.00 0.00 217 R 7.65 3.91 0.00 1.92 2.01 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 218 C 8.18 4.28 0.00 3.03 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 0.00 219 L 7.98 4.14 0.00 2.05 1.92 1.25 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.37 4.33 0.00 1.82 1.91 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.73 4.76 0.00 2.99 2.90 0.00 0.00 7.02 7.27 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 0.00 222 L 7.59 4.34 0.00 1.74 1.69 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 223 S 8.51 4.29 0.00 3.90 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 0.00 224 E 8.74 4.03 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 225 N 8.04 4.73 0.00 2.73 2.79 0.00 0.00 6.81 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 0.00 226 V 7.40 4.15 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 0.82 0.00 0.00 0.95 0.00 0.00 227 C 8.60 4.78 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 I 8.39 4.47 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 1.35 0.68 0.94 0.00 0.00 229 K 8.69 3.64 0.00 1.15 1.47 0.00 1.47 0.00 0.00 1.88 0.00 0.00 2.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.02 0.21 7.81 230 D 7.41 5.07 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 231 I 8.40 4.45 1.79 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 1.03 0.82 0.17 0.00 0.00 232 V 8.24 4.59 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 0.86 0.00 0.00 0.89 0.00 0.00 233 F 9.09 4.66 0.00 3.00 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 0.00 234 E 8.72 4.86 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 *236 K 8.65 4.37 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 237 K 8.14 3.86 0.00 1.90 1.86 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.77 1.51 7.81 238 S 8.05 4.35 0.00 3.89 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 0.00 239 I 7.73 3.91 2.00 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 1.44 0.94 0.92 0.00 0.00 240 I 7.09 4.20 1.88 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 1.17 0.88 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.