NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0825 8.2431 120.8595 57.2341 31.1472 174.9294 4 G 4.1576 8.4172 109.1497 43.5654 0.0000 171.4147 *6 N 4.4194 8.8615 118.0040 53.6574 40.1094 170.8098 7 H 4.9752 8.9924 121.2424 53.5504 33.3941 172.4601 8 V 4.6016 8.3689 122.1732 61.1338 34.8619 173.5921 9 Y 5.2260 9.0747 125.0952 56.2008 41.1132 174.5771 10 L 5.0274 9.1502 123.7096 52.8837 45.8689 175.5322 11 I 5.0708 8.6134 123.3695 59.8291 39.8686 174.8828 12 G 4.1714 8.9030 112.8683 45.5453 0.0000 171.1953 13 A 5.0925 8.4607 121.5752 50.3798 21.1320 177.0123 14 L 4.5466 8.9022 121.5314 54.8082 42.2100 178.3525 15 A 4.9383 9.6964 127.3428 54.3318 19.6274 176.9293 16 R 4.7113 7.6179 109.2754 55.0180 32.1084 173.9970 17 D 4.4170 8.5791 117.8195 54.3619 40.9622 175.2325 18 P 4.5015 0.0000 0.0000 62.5422 32.6147 175.3162 19 E 4.5956 8.5674 120.1017 54.4802 33.2095 174.8231 20 L 4.8851 8.5016 125.7913 53.9089 43.7121 175.3268 21 R 4.7714 8.6593 125.1972 55.0078 34.7628 173.3826 22 Y 5.0218 8.3941 115.4210 56.6969 41.9986 176.0011 23 T 4.2578 8.5389 112.1197 60.6990 70.0710 175.7679 24 G 3.6408 8.5619 110.3925 48.4645 0.0000 174.1647 25 N 4.5000 7.7936 114.6958 53.2407 38.8476 174.7121 26 G 3.5600 7.8625 107.8835 45.5703 0.0000 171.7923 *28 A 3.7015 7.8354 125.3384 51.6093 20.7711 175.4370 29 V 4.5969 8.5573 121.3332 61.0989 34.8590 173.8294 30 F 5.0610 9.3000 131.4953 56.8749 41.1444 174.1563 31 E 5.0642 8.5857 125.3089 54.4617 32.8389 174.8091 32 A 4.8261 8.8517 124.9850 50.4274 23.5011 174.5887 33 T 4.8835 8.4360 116.5671 62.0715 70.8105 173.6759 34 V 4.8985 8.9692 127.1725 61.3013 33.8110 174.4296 35 A 4.2980 8.9050 128.9171 50.2181 22.7920 175.1104 36 G 3.6512 6.2618 107.5075 44.9469 0.0000 171.4212 37 E 5.3738 8.0143 116.1466 53.8052 33.2085 174.1104 38 D 5.3664 8.8812 122.4570 52.2894 44.3772 175.9384 39 R 4.3253 8.6641 118.9026 56.0227 29.5030 176.6143 40 V 4.1330 7.7069 125.7004 61.8760 33.2480 172.4613 *48 R 4.1407 7.6127 116.0549 55.6568 32.2241 175.2504 49 N 4.7643 8.6931 118.1785 52.8769 38.8131 174.4589 50 L 4.5951 8.1702 126.5200 52.8858 43.5498 174.1206 51 P 4.9680 0.0000 0.0000 62.2340 32.5365 175.7199 52 W 5.5168 8.6195 118.7714 55.4902 32.1153 173.5101 53 Y 5.1466 8.7823 118.3391 57.0301 41.0912 174.2088 54 H 5.1618 9.6580 121.6553 53.8445 33.0887 173.2418 55 R 4.5968 8.8246 122.2695 56.1417 31.4522 175.4626 56 V 4.7346 9.3807 124.1629 61.1897 34.5032 174.3460 57 S 5.4380 9.0699 122.9963 56.8350 66.5375 173.0544 58 I 5.1298 8.8411 123.3610 58.4633 40.5915 174.5254 59 L 4.9406 8.4920 125.0757 54.0534 44.7523 178.5814 60 G 3.7143 8.8019 108.9574 45.7230 0.0000 174.9378 61 K 3.3574 8.3517 117.1784 59.0862 31.8834 176.8923 62 P 4.0007 0.0000 0.0000 65.4727 31.0647 178.4248 63 A 3.8592 7.5569 119.3482 55.1363 18.3851 179.5418 64 E 3.8851 7.7978 116.5494 59.3074 29.3836 179.3610 65 W 4.5947 7.8491 118.1378 59.9445 29.4325 178.0607 66 Q 3.9076 8.3321 119.3639 59.1037 28.4611 177.9270 67 A 4.1532 7.9072 121.8042 55.4951 18.1218 179.4784 68 E 4.0516 8.0135 115.8848 59.3846 28.4178 179.3346 69 R 4.0256 8.1763 117.6783 56.5327 30.0123 176.2014 70 N 4.4222 8.1201 116.0971 54.0831 38.0391 174.2013 71 L 4.3462 7.3086 114.8950 54.5646 42.5847 176.8514 72 K 4.7940 9.2177 120.6040 53.7693 35.7445 176.0880 73 G 3.9346 8.9018 109.9716 47.7488 0.0000 173.9536 74 G 4.0118 9.1509 112.7320 45.0187 0.0000 173.7304 75 D 4.6069 8.0081 120.1883 54.2262 42.0571 175.5197 76 A 4.9602 8.5656 124.4282 51.3728 20.8012 176.5581 77 V 5.0912 9.0791 114.4341 59.5881 36.5405 174.7344 78 V 4.9126 8.8342 122.9212 60.1592 33.4204 175.3838 79 V 4.4873 9.0570 123.6579 61.1047 34.6496 173.3869 80 E 4.9297 8.9984 128.6622 54.8129 31.5278 174.9189 81 G 4.2666 8.6417 113.1508 45.6843 0.0000 171.0960 82 T 4.9985 8.7259 108.8161 59.6264 72.7033 173.0265 83 L 4.6880 8.9864 123.4719 54.1362 42.7328 175.9010 84 E 4.4995 9.4439 125.5568 54.4952 31.8512 173.8054 85 Y 5.1588 8.9890 128.8113 56.6554 40.1227 174.5593 86 R 4.7220 8.7504 122.6460 54.3843 33.2553 173.9418 87 Q 4.8156 8.6315 121.2612 54.3416 32.3694 173.7036 88 W 5.4043 8.8465 122.4880 55.5560 32.5727 172.8138 89 E 4.5937 8.8648 117.6639 54.4290 30.5301 175.6334 *95 K 4.0942 8.2928 121.8513 56.2614 33.5559 174.7381 96 R 4.5859 8.2261 118.8697 54.5127 34.1520 174.6708 97 S 4.5266 7.7544 113.5155 57.2392 66.3694 172.8411 98 A 4.8513 8.9243 121.1340 50.7611 22.9475 175.1846 99 V 5.0454 8.5614 120.2781 61.1490 33.7770 174.4676 100 N 5.2129 9.1585 124.2865 50.9385 41.6060 173.1875 101 V 4.3727 7.9821 118.8154 62.1489 32.9957 174.4101 102 K 5.0292 9.0916 129.5834 54.7849 34.6400 174.7490 103 A 5.0981 9.0986 127.9332 50.4850 22.6343 176.0941 104 L 4.5933 8.2421 116.8949 55.4564 43.8925 177.1203 105 R 4.2310 7.3671 111.8445 55.8077 32.3159 172.6541 *107 E 4.1559 8.3098 115.6929 56.6640 31.1376 175.2651 108 Q 4.6214 8.6847 125.6595 55.8958 29.8929 175.6451 109 L 4.2687 8.7904 126.4840 54.7881 42.0053 177.6334 110 G 3.7234 8.7263 109.8187 47.2932 0.0000 174.1644 111 T 4.2959 7.6038 113.8069 60.7838 68.5319 173.5832 112 Q 4.3729 8.3403 124.6491 54.0475 29.4224 174.0815 113 P 4.3708 0.0000 0.0000 62.3229 32.1502 175.5890 114 E 4.2894 8.5408 119.8627 56.0728 29.8133 175.9650 115 L 4.8844 8.4736 124.6826 53.1911 44.2789 176.0169 116 I 4.4435 8.5768 123.2882 59.5796 39.7557 174.3766 117 Q 4.9556 8.7322 128.9115 55.1694 29.9259 174.8570 118 D 4.8806 9.1822 126.2959 51.7098 41.7328 177.3360 119 A 4.0644 8.6557 121.1721 54.8978 18.3951 178.7051 120 G 3.6894 8.2243 103.0944 45.8776 0.0000 174.8234 121 G 3.9005 8.2479 108.2010 45.1917 0.0000 174.2732 122 G 4.0562 7.7735 106.7076 45.3752 0.0000 173.3900 123 V 5.2033 8.5314 114.5357 58.6533 35.5473 174.6209 124 R 4.4366 8.5496 122.0216 55.5199 32.3266 175.6092 *126 S 4.2752 8.8309 112.3937 58.7823 63.8935 173.1247 127 G 3.9318 8.5811 106.8790 46.8519 0.0000 174.9372 128 A 4.5098 7.5713 130.8577 51.6073 20.4040 180.3295 *130 N 4.2907 8.7392 118.2930 54.8912 39.7548 173.3168 131 E 4.9178 9.0970 127.1832 54.3471 33.4032 174.2505 132 V 4.9045 8.9794 126.1766 61.0672 34.8318 174.6432 133 L 5.0165 9.0182 126.4591 53.2252 44.9642 175.9616 134 V 4.8354 8.8777 116.9485 59.5021 35.9926 175.1827 135 L 4.7093 8.2073 124.2874 53.9555 45.2957 174.3722 136 G 4.1832 8.5885 114.1750 46.1752 0.0000 171.2513 137 N 5.6100 8.5492 118.4732 50.9635 43.0490 174.5605 138 V 4.1556 8.8062 123.4186 63.7459 32.0460 176.7203 139 T 4.4971 8.8856 118.4522 63.3834 69.7152 174.8595 140 R 4.6327 7.6471 116.0018 54.5948 32.2196 174.6164 141 D 4.5142 8.7315 121.0010 54.2622 41.1051 174.9437 142 P 4.4819 0.0000 0.0000 62.8298 32.8300 175.1311 143 E 4.4641 8.4930 121.6929 54.6798 31.2273 174.2126 144 I 4.7001 8.2368 127.5451 59.6608 39.7057 174.5653 145 R 4.8404 8.6688 126.9317 54.7351 35.0577 173.4296 146 Y 5.2101 8.3535 116.9466 56.1386 41.3642 176.1670 147 T 4.2075 8.9676 113.8174 60.8456 69.7111 173.4386 148 P 4.1876 0.0000 0.0000 65.9091 31.3021 177.7600 149 A 4.1216 7.9507 117.9150 53.2273 18.5104 177.8102 150 G 4.0492 8.5137 104.5873 45.2075 0.0000 173.0261 151 D 4.8761 8.3587 120.2146 53.3101 42.1781 176.0378 152 A 3.8914 8.8155 125.8208 51.7048 20.0329 176.4971 153 V 4.2101 8.3014 120.8153 59.6448 34.8191 173.9033 154 L 4.8929 8.5305 127.4152 53.1255 45.0287 174.8744 155 S 4.9623 8.5918 122.6114 57.0227 64.8636 172.9107 156 L 4.9658 8.8160 126.6354 53.2167 45.3183 175.0431 157 S 5.3224 8.6711 121.4109 56.6462 66.0274 172.9919 158 I 5.1035 9.0207 117.4608 59.0120 41.3310 173.9349 159 A 4.8505 9.1436 125.7296 50.3518 21.2162 175.8363 160 V 4.3543 8.5200 123.6570 61.0875 33.7294 173.9108 161 N 5.0818 8.6925 127.2263 52.5520 40.2035 173.4480 162 E 4.7517 9.4180 127.2357 54.4764 32.4476 174.5010 163 N 5.3461 8.8596 124.2288 53.1311 40.1853 173.6229 164 Y 4.8951 8.5423 118.9830 56.4504 42.2372 172.9870 165 Q 5.0121 8.6733 118.9936 54.3033 30.7037 176.4418 166 D 4.8943 8.2570 124.2818 52.5542 41.4882 176.8095 167 R 3.9621 8.6160 114.2386 59.1574 29.5273 177.1042 168 Q 4.2515 8.4436 115.9463 55.4988 29.2486 176.2523 169 G 3.8719 7.9759 106.2483 46.0260 0.0000 173.2226 170 Q 4.4786 7.8805 117.9029 53.6097 30.3905 175.0220 171 R 4.3204 8.3391 122.6388 56.7026 30.7804 175.5185 172 Q 4.5479 8.7554 124.3001 54.0574 33.2679 173.8644 173 E 5.1943 8.5883 119.6338 54.5640 32.5339 175.4075 174 K 4.8758 9.4742 123.8950 54.5391 35.8140 175.0237 175 V 4.6161 8.2768 124.8967 60.0562 34.0979 174.3671 176 H 4.7072 8.7647 120.7344 54.2181 31.3027 172.6734 177 Y 4.7581 7.5448 121.8626 57.0789 38.7267 175.0039 178 I 4.5976 8.8570 126.1152 59.5471 40.2667 174.4737 179 D 5.3888 8.7397 125.8692 52.8035 43.2191 175.2586 180 A 5.1674 9.2898 123.5767 50.4349 23.1641 174.8238 181 T 4.7656 9.0393 117.0173 61.6733 71.4218 173.2685 182 L 5.0088 8.6240 126.5844 52.6596 44.6925 175.5763 183 W 5.0434 8.7409 122.3951 54.8774 32.6166 177.2020 184 R 3.8012 9.5169 122.8881 57.3002 29.6724 178.5130 185 D 4.4028 9.1067 127.1429 58.4837 40.1837 177.6158 186 L 3.9988 7.6642 117.9565 57.5787 41.6769 179.1748 187 A 4.0395 7.7335 119.1525 55.2532 18.5345 178.9649 188 E 4.1362 8.1491 115.8763 59.6082 29.5717 179.6783 189 N 4.4391 8.0943 111.7909 54.1655 38.3164 176.1256 *191 K 4.2311 7.9492 120.6189 56.6499 34.3852 176.1355 192 E 4.3637 8.0555 117.0286 56.1177 29.8126 176.3888 193 L 4.2592 7.6788 119.3326 55.0671 42.4542 176.4860 194 R 4.7982 9.0065 120.2842 53.4939 33.7523 174.9973 195 K 4.0222 8.4080 120.6867 58.7267 32.3710 176.6027 196 G 4.0523 9.2312 114.6970 45.2922 0.0000 173.6353 197 D 4.6012 8.0552 120.8153 53.6776 41.8841 174.4004 198 P 5.0092 0.0000 0.0000 63.2321 33.1350 175.9842 199 V 4.9140 8.2124 120.2528 61.7590 34.9265 172.2467 *201 I 3.9737 8.3386 120.3639 61.9298 39.1146 174.1685 *203 G 4.1581 8.0750 107.2155 46.5464 0.0000 171.7422 204 R 5.0691 8.4648 117.1931 54.1186 32.9152 175.0275 205 L 4.7048 8.8530 124.2137 54.7569 42.7733 176.1947 206 V 4.8075 9.0901 118.8444 59.7522 36.5099 173.9106 207 N 5.4885 8.9137 118.9425 51.7461 40.9292 174.0975 208 E 4.7423 9.7956 124.1676 54.4521 32.1096 175.7896 209 G 4.3644 8.9466 112.5494 45.9836 0.0000 172.2299 210 W 5.2187 8.6581 119.1290 55.9525 31.8815 174.3968 211 T 4.1532 8.5745 115.9747 61.6260 69.6668 174.0463 *218 R 3.7442 8.2309 124.5048 55.5229 31.2521 174.2340 219 N 5.4578 8.2726 117.5388 52.1270 42.2785 173.8253 220 S 4.8390 8.9420 119.6037 57.3558 67.2888 173.2119 221 T 4.8876 8.8119 122.2391 63.3761 69.0866 174.3706 222 R 4.8725 9.1901 124.6598 54.4840 35.6261 174.2845 223 V 4.5124 8.5334 121.1245 61.6294 33.1059 174.6397 224 E 4.8903 9.2240 130.9500 55.2035 30.1887 175.4356 225 A 4.5503 8.8576 130.4692 52.2699 18.4251 177.0894 226 T 4.4511 8.6597 110.0973 61.9828 70.9922 174.3323 227 R 4.6719 7.5923 120.4170 54.8199 33.1027 173.8656 228 V 4.4611 8.2149 123.2897 61.0314 34.5923 174.2201 229 E 4.5659 8.5397 124.7070 54.0992 32.1150 174.9685 230 A 4.2078 8.6413 126.2401 52.0705 19.0895 176.5665 231 L 4.7258 8.4023 121.4830 52.4954 44.4411 176.4152 232 A 4.0667 8.4393 122.5666 52.3807 18.9416 178.0881 233 R 4.0901 8.5136 120.3247 56.4264 30.3520 176.5030 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 3 R 8.24 4.08 0.00 1.78 1.89 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 4 G 8.42 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 *6 N 8.86 4.42 0.00 2.69 2.70 0.00 0.00 6.67 7.89 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 7 H 8.99 4.98 0.00 3.09 2.75 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.37 4.60 1.90 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 0.90 0.00 0.00 0.79 0.00 0.00 9 Y 9.07 5.23 0.00 2.87 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 10 L 9.15 5.03 0.00 1.62 1.64 0.92 0.26 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 11 I 8.61 5.07 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.98 0.00 0.00 12 G 8.90 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 13 A 8.46 5.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.90 4.55 0.00 1.72 1.80 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 A 9.70 4.94 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 16 R 7.62 4.71 0.00 1.88 1.91 0.00 3.04 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 17 D 8.58 4.42 0.00 2.68 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 18 P 0.00 4.50 0.00 1.66 1.55 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 19 E 8.57 4.60 0.00 1.68 1.68 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 2.14 2.11 0.00 20 L 8.50 4.89 0.00 1.75 1.59 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.66 4.77 0.00 1.60 1.77 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 22 Y 8.39 5.02 0.00 2.78 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 23 T 8.54 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 24 G 8.56 3.64 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 0.00 0.00 0.00 25 N 7.79 4.50 0.00 2.72 2.87 0.00 0.00 7.19 7.32 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 26 G 7.86 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 *28 A 7.84 3.70 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.56 4.60 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 1.02 0.00 0.00 0.86 0.00 0.00 30 F 9.30 5.06 0.00 3.10 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 31 E 8.59 5.06 0.00 1.69 1.65 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 2.14 2.13 0.00 32 A 8.85 4.83 1.20 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 0.00 0.00 33 T 8.44 4.88 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 34 V 8.97 4.90 2.34 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 1.29 0.00 0.00 1.05 0.00 0.00 35 A 8.90 4.30 0.29 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 36 G 6.26 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 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0.00 0.00 0.00 1.53 1.34 0.00 *126 S 8.83 4.28 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.58 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 0.00 128 A 7.57 4.51 1.43 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 0.00 0.00 0.00 *130 N 8.74 4.29 0.00 2.05 2.60 0.00 0.00 6.49 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 0.00 131 E 9.10 4.92 0.00 2.06 1.84 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 2.32 2.27 0.00 132 V 8.98 4.90 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 0.83 0.00 0.00 0.85 0.00 0.00 133 L 9.02 5.02 0.00 1.73 1.57 1.19 1.11 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 0.00 134 V 8.88 4.84 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 0.60 0.00 0.00 0.98 0.00 0.00 135 L 8.21 4.71 0.00 1.66 1.44 0.93 0.94 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 0.00 136 G 8.59 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.55 5.61 0.00 2.69 2.77 0.00 0.00 7.07 7.83 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 0.00 138 V 8.81 4.16 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 0.99 0.00 0.00 0.97 0.00 0.00 139 T 8.89 4.50 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 1.38 0.00 0.00 140 R 7.65 4.63 0.00 1.74 1.83 0.00 2.96 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 141 D 8.73 4.51 0.00 2.53 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 0.00 142 P 0.00 4.48 0.00 2.00 1.99 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 143 E 8.49 4.46 0.00 2.00 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 0.00 2.09 2.14 0.00 144 I 8.24 4.70 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.93 0.00 0.00 145 R 8.67 4.84 0.00 1.51 1.68 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 146 Y 8.35 5.21 0.00 2.80 2.87 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 0.00 147 T 8.97 4.21 4.38 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 1.54 0.00 0.00 148 P 0.00 4.19 0.00 2.10 2.21 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 149 A 7.95 4.12 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 0.00 150 G 8.51 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 0.00 151 D 8.36 4.88 0.00 2.88 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 0.00 152 A 8.82 3.89 1.02 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 0.00 153 V 8.30 4.21 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 -0.20 0.00 0.00 154 L 8.53 4.89 0.00 1.54 1.35 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.59 4.96 0.00 3.68 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 0.00 156 L 8.82 4.97 0.00 1.64 1.39 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.67 5.32 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 9.02 5.10 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.89 0.00 0.00 159 A 9.14 4.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.52 4.35 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 0.93 0.00 0.00 0.89 0.00 0.00 161 N 8.69 5.08 0.00 2.71 2.66 0.00 0.00 6.95 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 0.00 162 E 9.42 4.75 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 163 N 8.86 5.35 0.00 2.67 2.71 0.00 0.00 6.88 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 0.00 164 Y 8.54 4.90 0.00 3.06 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 0.00 165 Q 8.67 5.01 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 166 D 8.26 4.89 0.00 2.97 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 0.00 167 R 8.62 3.96 0.00 1.96 2.14 0.00 3.04 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 168 Q 8.44 4.25 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 169 G 7.98 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 0.00 170 Q 7.88 4.48 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 171 R 8.34 4.32 0.00 1.76 1.76 0.00 3.14 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 172 Q 8.76 4.55 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 173 E 8.59 5.19 0.00 1.79 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 2.35 2.20 0.00 174 K 9.47 4.88 0.00 1.96 1.66 0.00 1.38 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.33 7.81 175 V 8.28 4.62 1.82 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 0.39 0.00 0.00 0.11 0.00 0.00 176 H 8.76 4.71 0.00 3.03 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.54 4.76 0.00 2.22 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 0.00 178 I 8.86 4.60 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.91 0.00 0.00 179 D 8.74 5.39 0.00 2.59 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 0.00 180 A 9.29 5.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 9.04 4.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 182 L 8.62 5.01 0.00 1.46 1.55 0.87 0.96 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 0.00 183 W 8.74 5.04 0.00 3.28 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 0.00 184 R 9.52 3.80 0.00 2.08 1.07 0.00 3.20 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 185 D 9.11 4.40 0.00 2.72 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 0.00 186 L 7.66 4.00 0.00 1.84 1.75 0.96 1.30 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 0.00 187 A 7.73 4.04 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 0.00 188 E 8.15 4.14 0.00 2.09 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 0.00 2.55 2.58 0.00 189 N 8.09 4.44 0.00 2.85 2.84 0.00 0.00 7.06 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 *191 K 7.95 4.23 0.00 1.86 2.12 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.47 7.81 192 E 8.06 4.36 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 193 L 7.68 4.26 0.00 1.60 1.58 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 194 R 9.01 4.80 0.00 1.74 1.75 0.00 3.58 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 195 K 8.41 4.02 0.00 1.71 1.74 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.45 7.81 196 G 9.23 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 D 8.06 4.60 0.00 2.68 2.60 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 0.00 0.00 0.00 0.00 198 P 0.00 5.01 0.00 2.11 2.16 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 199 V 8.21 4.91 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 0.98 0.00 0.00 *201 I 8.34 3.97 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.91 0.00 0.00 *203 G 8.07 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 0.00 204 R 8.46 5.07 0.00 1.76 1.97 0.00 2.79 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 205 L 8.85 4.70 0.00 1.41 1.27 0.90 0.44 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 0.00 206 V 9.09 4.81 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 0.79 0.00 0.00 1.09 0.00 0.00 207 N 8.91 5.49 0.00 2.70 2.96 0.00 0.00 6.76 7.66 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 0.00 208 E 9.80 4.74 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 209 G 8.95 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 W 8.66 5.22 0.00 3.45 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 0.00 211 T 8.57 4.15 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 1.17 0.00 0.00 *218 R 8.23 3.74 0.00 0.67 0.66 0.00 2.61 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.00 219 N 8.27 5.46 0.00 2.70 2.72 0.00 0.00 6.78 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 S 8.94 4.84 0.00 4.10 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 0.00 221 T 8.81 4.89 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 1.26 0.00 0.00 222 R 9.19 4.87 0.00 1.74 1.78 0.00 3.09 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 223 V 8.53 4.51 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 0.86 0.00 0.00 0.91 0.00 0.00 224 E 9.22 4.89 0.00 2.18 1.90 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 2.43 2.54 0.00 225 A 8.86 4.55 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 0.00 226 T 8.66 4.45 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 1.24 0.00 0.00 227 R 7.59 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 228 V 8.21 4.46 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 0.89 0.00 0.00 0.93 0.00 0.00 229 E 8.54 4.57 0.00 1.98 1.80 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 2.28 2.21 0.00 230 A 8.64 4.21 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.40 4.73 0.00 1.52 1.59 0.92 0.65 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 0.00 232 A 8.44 4.07 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 R 8.51 4.09 0.00 1.81 1.84 0.00 3.34 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.