NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2959 8.3027 121.7304 55.5732 29.8712 174.6167 2 V 3.8560 7.3723 120.5414 63.2345 32.7074 174.6230 3 K 4.6873 10.3033 128.0711 54.9911 37.1322 174.5599 4 L 5.1947 8.7595 124.4275 52.8601 44.6152 175.6880 5 L 4.7004 8.8514 126.5199 53.2916 44.4728 175.6875 6 E 5.1820 8.9103 126.0442 56.3025 31.1777 175.6582 7 S 4.5223 9.1854 114.5149 58.4631 66.3456 175.7146 8 G 3.9524 9.2877 108.0542 45.3907 0.0000 174.1746 9 G 3.6474 7.5209 108.6348 45.1299 0.0000 172.5652 10 G 4.0006 7.8301 105.6475 43.0710 0.0000 171.9141 11 L 4.7974 7.9456 122.3993 54.8292 42.8373 176.1183 12 A 4.8573 9.3463 126.7673 50.2841 23.4493 174.0744 13 Q 5.1846 8.6483 119.8097 52.7613 31.1091 173.3478 14 P 4.5944 0.0000 0.0000 64.6534 31.5310 176.6861 15 G 3.9319 9.5118 110.2484 45.3974 0.0000 173.7143 16 G 4.1604 7.9560 107.4538 45.3621 0.0000 172.5632 17 S 5.3045 8.2841 113.0028 56.8060 66.5722 173.0912 18 L 4.4262 8.6226 120.6125 53.8053 45.8531 173.5813 19 K 4.8309 8.4986 126.4084 54.7212 34.0834 175.0656 20 L 4.7648 8.6894 127.9081 53.6108 44.1296 175.8554 21 S 5.5243 9.2235 116.9511 57.2165 67.9131 172.3229 22 C 5.3868 8.9098 120.7867 55.1736 48.2874 172.3031 23 A 5.1229 9.0903 128.2638 50.2650 20.6540 175.4709 24 A 5.8411 8.2267 124.0889 49.7112 22.1406 175.4583 25 S 4.1645 8.5567 111.7393 58.4626 65.8719 176.2489 26 G 3.9288 10.9260 108.7131 46.2794 0.0000 172.9545 27 F 4.8312 6.8416 111.5935 55.7604 40.3164 174.6545 28 D 4.6671 8.7267 122.1179 53.3124 39.0334 175.9329 29 F 3.9580 8.2773 126.3130 60.8662 39.6394 177.4497 30 R 4.0244 8.2527 118.7005 58.4010 29.9007 176.7085 31 R 4.4895 8.4330 112.5928 55.9076 29.7810 175.0347 32 Y 4.9530 7.6851 115.5705 56.1690 41.0800 175.6018 33 W 4.4272 9.0535 121.6451 56.8671 30.9180 175.1852 34 M 5.2292 8.9487 122.1083 53.9970 35.3768 174.9048 35 T 5.1773 8.9741 117.0101 61.7060 73.7271 172.8085 36 W 5.2068 8.8783 123.3788 55.0145 32.2487 174.9240 37 V 5.1666 9.2255 123.9537 61.1529 34.8840 174.2656 38 R 5.0765 9.0777 122.5676 54.5246 33.5242 174.5071 39 Q 4.8896 8.8477 120.2819 54.6939 31.9253 174.0600 40 A 4.7678 8.6306 128.6160 50.4836 20.3754 174.6696 41 P 4.3434 0.0000 0.0000 64.1933 31.7242 176.8448 42 G 4.0282 8.9878 110.0124 46.3313 0.0000 172.7908 43 K 4.6879 7.8799 116.9231 54.2571 36.2728 175.9206 44 G 4.1056 8.1990 108.5368 44.2860 0.0000 173.5611 45 L 4.5029 8.2375 118.5555 54.8343 42.4638 176.2570 46 E 4.7689 9.0813 121.6802 54.2640 32.9388 174.2247 47 W 4.6482 9.2398 135.0000 58.0059 31.1012 175.3210 48 I 4.1132 8.9695 128.0509 61.4175 38.6105 176.1960 49 G 3.3638 5.9285 108.7436 45.7968 0.0000 170.3785 50 D 5.5386 8.2771 118.8141 51.7460 43.8170 174.2219 51 I 5.0106 9.0342 119.1252 59.1059 41.5296 174.5114 52 N 3.1400 7.8586 126.6355 51.0604 38.2551 174.1343 52A P 3.9283 0.0000 0.0000 66.0648 31.3302 177.5225 53 D 4.5266 7.7232 113.8569 53.0556 39.1558 176.2380 54 S 3.6169 7.7455 112.3462 59.9305 61.1622 173.5686 55 R 4.1070 8.2843 119.6689 57.8885 30.3673 176.5441 56 T 4.6349 9.3558 116.2982 61.6071 71.7938 173.2180 57 I 4.7346 8.4100 126.4678 59.7715 40.4978 174.3769 58 N 5.0764 8.8766 125.3023 52.1168 40.5461 174.1949 59 Y 4.9875 8.4588 118.9490 55.8911 42.3507 174.7921 60 M 4.5059 8.9562 122.0242 55.8494 32.6683 175.7534 61 P 4.2527 0.0000 0.0000 65.8215 32.0844 178.3550 62 S 4.0890 8.1776 111.1396 61.5411 63.0291 175.2415 63 L 3.7708 8.0633 119.2171 55.2329 41.1751 179.7384 64 K 4.1828 6.8626 118.6712 58.5052 32.9605 176.2146 65 D 4.4661 7.5207 117.7920 54.3933 40.6470 177.4682 66 K 3.8561 7.9282 120.8019 58.7314 32.1748 175.8660 67 F 6.0744 7.6703 115.0367 55.2852 42.1248 175.9140 68 I 4.6347 8.0355 120.3537 60.4221 40.7810 174.2295 69 I 5.1154 9.4219 129.3129 60.4787 38.8494 175.3460 70 S 4.8997 8.9355 119.0057 58.0476 66.8215 172.8615 71 R 5.0565 8.4007 115.4309 55.4256 32.6284 174.6201 72 D 4.7525 9.0903 119.1765 52.1951 42.0658 175.3913 73 N 4.5799 9.0018 123.0716 55.8513 39.1388 177.6049 74 A 3.9766 8.0277 120.2557 54.5329 18.4864 178.3361 75 K 4.3174 8.1820 112.4716 55.3118 32.8178 176.2966 76 N 3.1400 7.2813 115.4428 54.2906 36.7332 173.5793 77 S 5.3605 6.7093 111.3015 55.3512 68.1523 174.2938 78 L 5.1490 7.8515 122.7906 53.5431 45.4630 174.6891 79 Y 5.5618 9.3543 122.9216 56.2565 42.3331 174.5869 80 L 4.4783 8.6295 123.2192 53.4268 45.4577 175.0204 81 Q 4.6991 9.0228 129.6908 54.7813 30.2100 174.3451 82 L 4.8060 9.0825 128.6318 53.8656 43.6621 176.1000 82A S 4.9366 8.4739 115.3995 56.9106 66.6287 173.2601 82B R 3.7805 8.6338 116.0200 56.6920 27.6021 177.2795 82C L 4.2626 7.9703 117.1149 55.4426 42.4629 177.4088 83 R 5.0094 9.1976 122.4668 53.7340 33.3874 176.9681 84 S 4.6647 8.9342 113.5401 60.7774 62.8626 176.3691 85 E 4.0520 8.1964 117.4155 58.4561 29.3626 177.0135 86 D 4.7980 8.3949 118.6237 54.8203 41.3059 176.4531 87 S 4.6160 8.3472 117.3776 59.0006 63.3676 173.5142 88 A 4.3892 8.7548 125.5658 51.7067 23.7055 174.3742 89 L 4.6592 8.1324 119.2952 54.1275 43.3420 176.0032 90 Y 4.7228 8.8619 122.5518 56.8586 39.6565 174.3065 91 Y 5.4090 9.8931 123.6953 56.6052 40.9785 173.9471 92 C 4.0916 9.5152 124.0776 54.9349 41.2226 172.4850 93 V 4.5508 8.4304 126.1383 60.8493 34.6662 174.0637 94 R 4.4529 8.6100 128.0003 55.2711 31.6493 174.5270 95 L 4.7021 8.4667 128.4698 53.3007 43.9509 175.3709 96 D 4.8690 9.4101 128.1301 54.0263 41.9543 174.5662 97 F 4.8756 8.9423 129.3923 56.8073 40.8811 174.8121 98 D 4.8364 8.4698 126.2859 52.2389 42.4964 176.1277 99 V 3.7036 8.3911 125.3323 63.8112 32.2210 178.5240 100 Y 4.1969 8.1753 121.3385 60.8717 38.7262 176.0750 100A N 4.3552 8.4976 113.9067 52.8096 39.2607 174.7905 100B H 3.5227 7.0217 113.3614 56.1199 26.8637 174.8062 100C Y 4.3077 7.5114 120.2000 55.8503 41.3830 174.6759 100D Y 4.8653 7.6918 123.8992 56.1553 41.7049 174.6001 100E V 4.2268 8.1417 124.2094 60.9537 35.1108 174.9461 100F L 4.5925 8.7943 127.8616 52.9315 39.7537 176.0524 101 D 4.2946 8.6191 121.6458 54.8086 39.2577 175.6532 102 Y 4.7484 7.7010 115.9987 55.2840 40.5053 174.1960 103 W 5.1371 8.9871 122.4291 54.8449 32.7186 175.6141 104 G 4.1247 8.9469 111.1619 45.7076 0.0000 173.5603 105 Q 4.5491 8.9370 116.8540 55.5559 29.0227 177.4015 106 G 3.9043 8.6361 104.3391 45.4428 0.0000 172.8622 107 T 4.6001 8.2186 112.9592 59.8230 70.3802 173.0243 108 S 4.5645 8.6925 123.7834 58.3406 64.1348 172.7286 109 V 4.8180 8.8350 125.9172 61.5325 34.8127 173.9633 110 T 4.9104 8.8165 124.2211 61.7100 72.0871 173.2197 111 V 4.8029 9.1088 126.8318 61.8255 33.2818 174.2389 112 S 4.9329 9.0281 122.1395 57.5960 66.2059 174.5859 113 S 4.5992 8.6976 115.8297 58.1275 63.5964 174.0712 114 A 4.1484 7.8703 124.6354 52.3442 18.7382 176.4894 115 S 4.9510 7.9581 115.0093 56.5034 65.6075 174.5351 116 T 4.5689 8.4854 113.1023 61.9858 69.3461 173.4976 117 K 4.6850 9.6623 127.4389 54.2609 35.2961 175.5722 118 G 4.3297 8.8897 114.6882 45.2510 0.0000 171.5095 119 P 4.9106 0.0000 0.0000 62.6857 32.8568 175.4908 120 S 4.5305 8.9212 117.8512 56.8766 65.0597 173.2280 121 V 4.4578 7.9497 125.1019 61.4483 32.3834 174.7330 122 F 5.2426 8.9798 127.5465 55.0610 41.9905 173.1264 123 P 4.8243 0.0000 0.0000 62.4959 32.7348 176.5434 124 L 4.6870 9.0651 124.5949 52.3382 40.9320 174.8278 125 A 4.2744 8.3710 122.9539 51.6662 19.4144 175.4817 126 P 4.5673 0.0000 0.0000 61.8754 32.0075 176.6439 127 S 4.5904 8.5099 123.8740 58.4152 63.3623 174.0936 128 S 5.1579 7.5207 112.5257 56.1515 65.5966 173.4491 129 K 4.3247 8.4671 126.4246 56.0983 32.7683 177.6611 130 S 4.4705 8.3537 114.0542 59.9172 63.7404 175.8332 124 T 4.6970 9.0551 116.3949 59.0382 68.3320 171.9278 125 S 4.4244 8.4410 114.8539 57.4662 64.1144 172.2817 126 G 4.1073 8.5682 108.7908 43.6754 0.0000 174.2439 127 G 4.0804 8.5299 116.9740 45.2152 0.0000 174.3936 128 T 5.0379 7.3607 110.4257 59.6515 71.5966 173.5490 129 A 4.3247 8.4171 129.8246 52.3983 18.7683 178.8611 130 A 4.3205 8.2837 122.1542 54.1172 19.0404 179.0332 140 L 4.6821 8.0178 120.1894 54.7095 44.7445 175.4813 141 G 4.0314 7.4671 104.7443 46.0727 0.0000 172.7368 142 C 5.3719 9.1760 116.1562 55.1061 41.9946 173.3219 143 L 4.8443 9.4817 125.5073 53.7339 43.6686 175.5406 144 V 4.7400 9.1236 129.2767 61.4334 32.0424 174.5140 145 K 4.9176 8.8035 126.9577 54.9870 35.9499 174.9901 146 D 4.4478 8.6614 119.3477 55.6818 37.8161 171.9006 147 Y 5.2152 7.6336 118.1457 55.4931 42.8676 175.8008 148 F 5.1166 9.1582 118.9671 57.2530 43.5746 171.8275 149 P 3.9221 0.0000 0.0000 60.9845 33.8187 174.9363 150 E 4.1834 8.2426 118.5000 56.1462 29.8438 174.0483 151 P 5.0019 0.0000 0.0000 61.0072 34.2754 173.9705 152 V 4.6783 7.9356 110.9747 59.5771 34.8425 175.4115 153 T 4.6551 8.6670 113.1124 59.8737 71.8346 172.9281 154 V 5.4062 8.3328 123.6499 60.0584 34.8723 174.4637 *156 S 5.1780 8.4180 120.8113 58.3631 65.2323 172.0432 157 W 5.4941 8.2907 118.7813 53.4350 32.0237 176.3626 *162 N 4.7886 8.2208 121.8749 54.7141 39.1597 174.5859 163 S 3.8975 9.9870 106.8848 59.6362 61.6985 174.3134 164 G 4.0692 8.2125 109.3491 45.5744 0.0000 175.7791 165 A 4.0327 8.0070 122.4698 54.2827 18.4920 177.3466 166 L 4.6975 7.9160 117.6561 53.7395 43.0415 175.7654 167 T 4.6034 8.3020 113.7227 61.0214 70.4773 173.8191 168 S 4.1404 8.0874 117.5459 59.1484 62.8562 173.8465 169 G 3.6615 8.5912 116.1038 45.3155 0.0000 172.2173 *171 V 4.1839 7.2675 118.2909 62.9821 32.7478 174.4221 172 H 4.6725 9.3912 123.9070 54.5610 32.1541 172.7739 173 T 4.8835 8.3096 121.3506 61.6081 69.2658 174.9659 174 F 4.4867 8.6695 126.0660 56.3090 39.8402 174.1659 175 P 4.4328 0.0000 0.0000 62.4350 31.9212 176.2203 176 A 4.5698 8.5560 122.4623 52.5221 19.4013 177.0195 177 V 4.5744 9.1220 113.2953 59.4151 35.4451 174.8934 178 L 4.3469 8.4716 125.8750 54.0113 42.5804 176.3698 179 Q 4.3268 8.7913 126.5277 55.2912 29.9860 177.6771 180 S 4.0203 8.7496 116.0444 61.4661 62.9521 176.2814 *182 S 4.3508 7.3891 112.0150 56.9666 64.3040 174.5139 183 G 3.7393 8.3646 109.6999 45.4121 0.0000 173.2270 184 L 4.6431 7.1991 119.4691 53.2217 44.5009 175.6836 185 Y 4.8111 8.3484 119.5593 57.6864 40.1245 174.4726 186 S 5.4326 8.6241 113.4297 57.8917 66.5551 173.3226 187 L 4.9500 9.2805 124.8899 55.3090 44.1969 173.7746 188 S 5.4675 8.8576 114.5743 56.9832 67.4553 173.2821 189 S 5.1965 9.4039 116.2406 57.2054 65.5397 173.3530 190 V 5.1057 9.0504 120.3931 59.8723 35.9069 175.0479 191 V 5.2406 8.6104 120.1582 61.6896 34.6009 172.9410 192 T 5.2272 8.2541 114.8953 61.1090 70.3942 173.9910 193 V 4.5521 7.7184 115.9806 59.1816 36.7008 172.3457 194 P 4.8891 0.0000 0.0000 62.8020 32.0351 177.1004 195 S 4.1042 8.9589 120.1261 61.7449 62.7795 176.6542 196 S 4.1232 8.1721 116.0608 62.1128 62.3788 176.4868 197 S 4.2689 8.1438 118.8730 61.3310 62.3333 177.4370 198 L 3.8791 7.4950 120.3424 57.6959 41.3778 178.2998 199 G 4.1111 7.6275 103.1344 45.6810 0.0000 174.1086 200 T 4.2623 8.8638 116.6319 64.2238 72.1084 173.9781 *203 Q 4.4432 7.7356 120.7853 56.0495 29.7940 173.7191 *205 T 4.3796 8.2500 120.1189 63.7683 69.6847 172.5404 206 Y 4.9162 8.4133 124.2486 56.5895 40.2318 174.7111 207 I 5.2603 9.5554 125.8961 59.5119 41.1958 172.0317 208 C 4.0785 8.7050 121.7074 53.4738 39.9971 172.4685 209 N 4.9520 9.1294 121.7636 51.0336 39.7385 173.8244 210 V 4.5147 8.7743 125.2099 61.3830 33.7776 174.2665 211 N 5.2390 8.8919 125.0938 52.3904 42.7742 172.6518 212 H 4.8541 9.2493 125.3550 53.8632 30.9401 173.4505 213 K 3.7918 8.7269 123.5020 58.8254 32.3525 177.2780 214 P 4.0058 0.0000 0.0000 65.1968 31.0629 177.2596 215 S 4.5937 7.8225 109.5925 56.8792 63.4860 173.3235 216 N 3.9521 8.2911 118.3421 55.2593 37.7805 173.7646 217 T 4.6493 7.7488 112.9605 61.9334 71.4016 175.2814 218 K 4.7916 8.3820 125.9536 55.1268 35.0956 175.2422 219 V 4.4103 8.9841 127.5678 61.1371 35.3270 174.0493 220 D 5.1689 8.6259 126.2244 52.5313 43.5352 173.9452 221 K 4.3758 8.4489 125.5784 54.5287 34.2417 174.9044 222 K 4.8365 8.6273 129.0910 55.3032 33.4044 175.5966 223 V 4.0756 8.7069 128.9174 61.9863 32.6075 175.1818 *226 E 4.8711 8.5470 126.0824 55.4533 30.5776 173.7591 227 P 4.3218 0.0000 0.0000 62.0640 31.3799 176.7452 228 K 3.6898 8.7108 125.0086 56.9244 32.5466 175.4610 *232 S 4.3043 8.2376 118.8744 58.5003 63.3502 173.0368 233 C 4.4344 8.5269 121.7618 59.9567 28.3274 173.9278 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 4.30 0.00 2.07 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 2.27 2.32 0.00 2 V 7.37 3.86 0.97 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 0.32 0.00 0.00 0.30 0.00 0.00 3 K 10.30 4.69 0.00 1.67 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.62 7.81 4 L 8.76 5.19 0.00 1.55 1.58 1.04 1.09 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 5 L 8.85 4.70 0.00 1.75 1.50 0.95 0.69 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 6 E 8.91 5.18 0.00 1.99 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 0.00 2.55 2.45 0.00 7 S 9.19 4.52 0.00 3.87 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 8 G 9.29 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 9 G 7.52 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 10 G 7.83 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 0.00 0.00 0.00 11 L 7.95 4.80 0.00 1.66 1.60 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.35 4.86 1.17 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 13 Q 8.65 5.18 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 14 P 0.00 4.59 0.00 2.23 2.09 0.00 3.87 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 2.01 0.00 15 G 9.51 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 16 G 7.96 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 17 S 8.28 5.30 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.62 4.43 0.00 1.63 1.27 0.84 0.55 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 19 K 8.50 4.83 0.00 1.76 1.58 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.54 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.42 7.81 20 L 8.69 4.76 0.00 0.93 1.35 0.12 0.42 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 9.22 5.52 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 22 C 8.91 5.39 0.00 2.92 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 23 A 9.09 5.12 1.17 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 24 A 8.23 5.84 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 25 S 8.56 4.16 0.00 3.77 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 10.93 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 27 F 6.84 4.83 0.00 3.09 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 28 D 8.73 4.67 0.00 2.93 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 29 F 8.28 3.96 0.00 2.70 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 30 R 8.25 4.02 0.00 1.88 2.00 0.00 3.28 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 31 R 8.43 4.49 0.00 1.75 1.95 0.00 3.19 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.48 0.00 32 Y 7.69 4.95 0.00 2.94 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 33 W 9.05 4.43 0.00 3.46 3.15 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 34 M 8.95 5.23 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 35 T 8.97 5.18 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 1.43 0.00 0.00 36 W 8.88 5.21 0.00 3.23 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 37 V 9.23 5.17 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 1.40 0.00 0.00 0.95 0.00 0.00 38 R 9.08 5.08 0.00 1.26 0.96 0.00 3.03 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.71 0.00 39 Q 8.85 4.89 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 40 A 8.63 4.77 1.33 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 41 P 0.00 4.34 0.00 2.13 2.11 0.00 3.90 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 2.12 2.16 0.00 42 G 8.99 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 43 K 7.88 4.69 0.00 1.92 1.74 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.59 7.81 44 G 8.20 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 45 L 8.24 4.50 0.00 1.78 1.85 0.82 0.82 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 46 E 9.08 4.77 0.00 2.09 1.83 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 2.34 2.36 0.00 47 W 9.24 4.65 0.00 3.35 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 48 I 8.97 4.11 2.12 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 1.40 0.62 1.16 0.00 0.00 49 G 5.93 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.28 5.54 0.00 3.22 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 51 I 9.03 5.01 1.85 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 1.12 1.32 0.94 0.00 0.00 52 N 7.86 3.14 0.00 1.44 1.42 0.00 0.00 6.62 7.84 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 52A P 0.00 3.93 0.00 1.84 2.31 0.00 2.97 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 53 D 7.72 4.53 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.75 3.62 0.00 4.00 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 55 R 8.28 4.11 0.00 2.01 1.94 0.00 3.07 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 56 T 9.36 4.63 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 1.45 0.00 0.00 57 I 8.41 4.73 1.90 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 0.56 0.56 0.00 0.00 58 N 8.88 5.08 0.00 3.20 3.11 0.00 0.00 6.39 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.46 4.99 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.96 4.51 0.00 2.20 2.28 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 2.71 2.72 0.00 61 P 0.00 4.25 0.00 2.29 2.13 0.00 3.83 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 62 S 8.18 4.09 0.00 3.92 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 63 L 8.06 3.77 0.00 1.57 0.95 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 6.86 4.18 0.00 1.98 1.65 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.48 7.81 65 D 7.52 4.47 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.93 3.86 0.00 1.54 1.40 0.00 1.41 0.00 0.00 1.17 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.08 1.49 7.81 67 F 7.67 6.07 0.00 2.81 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 68 I 8.04 4.63 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.99 0.00 0.00 69 I 9.42 5.12 1.92 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 1.47 0.82 1.18 0.00 0.00 70 S 8.94 4.90 0.00 4.04 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 71 R 8.40 5.06 0.00 2.16 2.02 0.00 2.92 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 72 D 9.09 4.75 0.00 2.99 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.00 4.58 0.00 2.93 2.96 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.03 3.98 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 75 K 8.18 4.32 0.00 1.75 1.77 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.36 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.50 7.81 76 N 7.28 3.14 0.00 2.56 2.35 0.00 0.00 6.78 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 77 S 6.71 5.36 0.00 3.47 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 78 L 7.85 5.15 0.00 1.84 1.36 1.00 -0.11 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 79 Y 9.35 5.56 0.00 2.97 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 80 L 8.63 4.48 0.00 0.27 0.19 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.02 4.70 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 82 L 9.08 4.81 0.00 1.40 1.39 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 82A S 8.47 4.94 0.00 3.81 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 82B R 8.63 3.78 0.00 1.94 2.02 0.00 3.19 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 82C L 7.97 4.26 0.00 1.74 1.66 0.89 0.83 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 83 R 9.20 5.01 0.00 1.81 1.82 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 1.73 1.67 0.00 84 S 8.93 4.66 0.00 4.07 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 85 E 8.20 4.05 0.00 2.15 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 0.00 2.31 2.38 0.00 86 D 8.39 4.80 0.00 2.90 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 87 S 8.35 4.62 0.00 3.90 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 8.75 4.39 1.13 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 89 L 8.13 4.66 0.00 1.50 0.95 1.03 0.78 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 90 Y 8.86 4.72 0.00 2.92 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 9.89 5.41 0.00 3.06 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 92 C 9.52 4.09 0.00 2.52 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 93 V 8.43 4.55 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 94 R 8.61 4.45 0.00 1.58 1.67 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 1.31 1.22 0.00 95 L 8.47 4.70 0.00 1.72 1.88 0.97 1.18 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 96 D 9.41 4.87 0.00 3.19 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.94 4.88 0.00 2.79 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 98 D 8.47 4.84 0.00 2.81 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 99 V 8.39 3.70 2.24 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 0.87 0.00 0.00 0.96 0.00 0.00 100 Y 8.18 4.20 0.00 2.82 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 100A N 8.50 4.36 0.00 2.66 2.70 0.00 0.00 7.27 7.59 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 100B H 7.02 3.52 0.00 3.29 3.28 0.00 5.55 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.51 4.31 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100D Y 7.69 4.87 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 8.14 4.23 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 0.87 0.00 0.00 0.15 0.00 0.00 100F L 8.79 4.59 0.00 1.82 1.48 0.99 1.06 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 0.00 101 D 8.62 4.29 0.00 2.31 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 0.00 102 Y 7.70 4.75 0.00 2.79 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.99 5.14 0.00 3.02 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 0.00 104 G 8.95 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 8.94 4.55 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 106 G 8.64 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.22 4.60 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 1.34 0.00 0.00 108 S 8.69 4.56 0.00 3.92 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 8.84 4.82 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.66 0.00 0.00 110 T 8.82 4.91 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 1.31 0.00 0.00 111 V 9.11 4.80 2.24 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 1.00 0.00 0.00 0.99 0.00 0.00 112 S 9.03 4.93 0.00 4.17 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 0.00 113 S 8.70 4.60 0.00 4.01 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 0.00 114 A 7.87 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.96 4.95 0.00 3.87 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 0.00 116 T 8.49 4.57 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 117 K 9.66 4.68 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.42 7.81 118 G 8.89 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 0.00 0.00 0.00 0.00 119 P 0.00 4.91 0.00 2.00 1.86 0.00 3.72 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 120 S 8.92 4.53 0.00 3.69 3.27 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 0.00 121 V 7.95 4.46 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 0.69 0.00 0.00 0.79 0.00 0.00 122 F 8.98 5.24 0.00 3.05 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 0.00 123 P 0.00 4.82 0.00 2.18 2.15 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 124 L 9.07 4.69 0.00 1.82 1.72 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.37 4.27 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 0.00 126 P 0.00 4.57 0.00 1.95 1.99 0.00 3.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 127 S 8.51 4.59 0.00 3.88 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 7.52 5.16 0.00 3.75 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 0.00 129 K 8.47 4.32 0.00 1.86 1.71 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.43 7.81 130 S 8.35 4.47 0.00 4.12 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 0.00 124 T 9.06 4.70 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 8.44 4.42 0.00 3.62 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 0.00 126 G 8.57 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 0.00 127 G 8.53 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.36 5.04 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 8.42 4.32 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 0.00 130 A 8.28 4.32 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.02 4.68 0.00 1.85 1.62 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.47 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 0.00 142 C 9.18 5.37 0.00 2.83 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.48 4.84 0.00 1.86 1.89 1.09 1.13 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 0.00 144 V 9.12 4.74 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 0.84 0.00 0.00 0.89 0.00 0.00 145 K 8.80 4.92 0.00 1.99 2.06 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.61 7.81 146 D 8.66 4.45 0.00 2.93 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 0.00 147 Y 7.63 5.22 0.00 3.05 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 0.00 148 F 9.16 5.12 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 3.92 0.00 1.60 0.75 0.00 3.83 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 1.76 1.80 0.00 150 E 8.24 4.18 0.00 1.65 1.73 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 1.47 1.47 0.00 151 P 0.00 5.00 0.00 2.09 1.96 0.00 3.65 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 1.76 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 -0.33 0.00 0.00 0.58 0.00 0.00 153 T 8.67 4.66 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 1.18 0.00 0.00 154 V 8.33 5.41 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 0.69 0.00 0.00 0.86 0.00 0.00 *156 S 8.42 5.18 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 W 8.29 5.49 0.00 3.56 3.27 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 *162 N 8.22 4.79 0.00 2.97 2.89 0.00 0.00 7.30 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 9.99 3.90 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.21 4.07 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 0.00 0.00 0.00 165 A 8.01 4.03 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 0.00 166 L 7.92 4.70 0.00 1.71 1.93 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.30 4.60 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 168 S 8.09 4.14 0.00 3.84 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 8.59 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 8.14 4.27 0.00 4.22 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.49 3.88 0.00 1.84 1.78 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 199 G 7.63 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 0.00 200 T 8.86 4.26 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 1.20 0.00 0.00 *203 Q 7.74 4.44 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.67 0.00 0.00 0.00 0.00 0.00 1.86 1.17 0.00 *205 T 8.25 4.38 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 206 Y 8.41 4.92 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 I 9.56 5.26 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 1.33 1.20 0.91 0.00 0.00 208 C 8.71 4.08 0.00 1.28 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 9.13 4.95 0.00 2.47 2.76 0.00 0.00 6.44 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 8.77 4.51 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 0.84 0.00 0.00 0.75 0.00 0.00 211 N 8.89 5.24 0.00 2.76 2.50 0.00 0.00 6.39 7.50 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 0.00 212 H 9.25 4.85 0.00 3.00 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.73 3.79 0.00 1.73 1.82 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 214 P 0.00 4.01 0.00 1.78 2.09 0.00 3.15 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 215 S 7.82 4.59 0.00 4.05 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 0.00 216 N 8.29 3.95 0.00 2.72 2.83 0.00 0.00 7.00 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 0.00 217 T 7.75 4.65 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 1.18 0.00 0.00 218 K 8.38 4.79 0.00 1.66 1.60 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.37 7.81 219 V 8.98 4.41 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 0.83 0.00 0.00 0.86 0.00 0.00 220 D 8.63 5.17 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 K 8.45 4.38 0.00 1.84 1.59 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 222 K 8.63 4.84 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 223 V 8.71 4.08 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 1.02 0.00 0.00 1.26 0.00 0.00 *226 E 8.55 4.87 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 2.31 0.00 227 P 0.00 4.32 0.00 2.07 2.04 0.00 3.75 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 2.07 2.12 0.00 228 K 8.71 3.69 0.00 1.81 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.78 1.47 7.81 *232 S 8.24 4.30 0.00 3.91 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 0.00 233 C 8.53 4.43 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.