NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4986 8.3193 115.4151 57.6718 65.2042 174.8315 16 E 4.3921 7.8327 117.6704 55.6674 30.9680 174.4150 17 E 3.9620 8.4945 120.0506 59.8915 29.8574 180.1998 18 Q 4.0058 8.1484 118.5486 58.8655 29.2416 177.9314 19 R 4.0192 7.7792 118.3520 58.3249 30.3763 178.4801 20 A 3.9886 8.4888 121.2633 55.1634 18.1971 179.3766 21 R 3.8230 8.0925 116.4418 60.0528 30.0126 177.7112 22 H 4.4269 7.5311 116.6130 58.9121 30.2612 177.1205 23 V 3.7903 7.7624 119.6306 65.6550 31.1917 178.2578 24 R 4.1312 8.0436 114.6354 57.0775 29.4110 178.1811 *26 L 4.0066 7.8480 121.3719 54.7303 43.7911 179.1357 27 E 3.8844 8.1008 116.4058 59.2816 29.5783 178.5592 28 A 4.1662 8.0355 122.0621 54.9633 18.3398 179.2523 29 A 3.8541 7.7950 117.9585 55.4168 18.5262 179.4132 30 I 3.7103 7.9520 118.4854 64.8341 37.1522 178.1472 31 E 4.0079 9.0152 120.9093 59.4528 29.4234 178.9162 32 L 4.0580 8.1812 118.7408 57.5099 41.5359 178.8955 33 A 4.2528 7.9002 120.3958 53.5618 18.3173 179.2437 34 T 4.1253 7.1959 113.1301 66.3047 69.0951 176.7549 35 E 4.1111 7.7429 118.7654 57.9441 29.5239 177.3246 36 K 4.5864 7.7109 118.1925 54.1989 35.8903 175.0821 37 E 4.0745 8.4461 124.5537 55.5548 30.8215 177.4288 38 L 3.7308 8.4368 124.9538 58.0081 42.3340 179.0900 39 A 4.0396 8.1220 120.4607 54.5786 18.2854 178.1333 40 R 4.4286 7.6760 112.2509 55.9598 31.2095 176.8811 41 V 3.7646 7.4516 118.8983 63.0610 32.6989 175.1826 42 Q 4.7373 8.9337 128.0194 55.6593 29.9832 176.7910 *44 H 4.7816 8.6654 113.8346 56.7226 30.8809 175.6978 45 E 3.9916 7.9947 119.8374 58.9265 28.9777 179.4413 46 V 3.5260 7.6576 117.9091 65.7089 31.6083 177.8295 47 A 3.9687 7.8480 120.0155 55.0946 18.3965 178.9673 48 K 3.7896 7.8090 117.6962 59.8958 32.0797 178.7872 49 R 3.8610 7.8031 117.7667 58.6791 30.0594 176.8599 50 A 4.3835 7.5702 118.4698 51.3019 19.6289 177.2945 51 G 3.9327 8.0259 103.5279 46.2287 0.0000 174.0441 52 V 4.4444 7.7035 111.4418 58.5916 34.7059 176.3970 53 A 4.2620 8.1656 123.3276 52.1341 20.2508 178.7347 54 I 4.0303 8.3560 120.6561 63.4648 38.1094 178.6855 55 G 3.6243 8.0497 106.6258 48.0793 0.0000 175.7272 56 T 3.7001 7.8272 117.9688 66.0024 68.4754 176.0500 57 L 4.0575 7.7688 121.8579 58.9221 41.5501 178.8239 58 Y 4.6203 7.9690 117.3612 59.8058 37.6021 177.8445 59 R 3.8283 8.0420 119.6828 59.6391 30.2041 177.5423 60 Y 4.7114 7.5970 113.8976 58.4160 39.2386 176.0860 61 F 4.7667 8.3335 118.7564 54.7821 40.5232 173.0281 62 P 4.4789 0.0000 0.0000 63.9948 31.3957 175.8703 63 S 4.6346 7.3932 110.9522 56.2559 65.6065 175.6333 64 K 3.9114 8.6378 120.2257 59.8816 31.8293 178.4788 65 T 3.9839 8.0815 115.6180 67.3063 68.4937 176.0383 66 H 4.2924 8.1872 117.6237 58.0327 28.6393 177.1992 67 L 3.8815 7.2382 121.7994 57.0251 42.1854 178.1152 68 F 4.3915 7.9122 115.5695 59.2641 39.0473 177.6937 69 V 3.8040 7.8048 117.9415 65.8180 31.6626 177.4130 70 A 4.2656 7.9685 120.1782 54.9090 18.1614 180.2468 71 V 3.7374 7.6862 115.3062 63.3776 31.6725 178.0783 *73 V 3.9829 7.7913 118.5028 62.4234 33.1282 176.8813 74 D 4.3568 8.1785 117.7043 57.3695 41.0506 177.9574 75 Q 4.1304 8.3669 118.3106 58.6183 28.9323 178.4907 76 I 3.5644 7.6252 120.5688 64.5222 37.1070 178.0614 77 D 4.5371 7.3266 118.0038 55.8285 41.5829 177.8326 78 R 4.3596 7.6104 118.8259 54.0800 30.3081 177.1634 *90 G 3.9795 7.8050 115.1318 44.9125 0.0000 171.0315 91 E 3.9501 8.7303 120.1683 57.6753 30.4872 177.1939 92 S 3.8177 7.3470 111.6243 55.0185 63.4264 172.6400 93 P 4.1914 0.0000 0.0000 66.5364 30.6830 177.8062 94 Q 4.0012 8.1975 117.8277 58.8097 28.6075 179.0476 95 D 4.4213 8.2149 118.5754 57.4754 40.8820 178.8646 96 A 4.0037 8.0325 121.0866 55.0096 18.4306 179.8234 97 V 3.4599 7.9314 116.7651 66.2805 31.5892 177.1964 98 Y 4.1712 8.6385 119.6527 61.2929 38.6005 178.3345 99 N 4.0756 8.4794 117.1731 55.9670 38.5729 177.6634 100 V 3.5832 7.7188 119.9895 65.6558 31.4863 178.1483 101 L 3.7533 7.6542 119.0080 57.5102 41.5141 179.5824 102 V 3.4700 7.6488 118.6176 65.7978 31.2416 178.0796 103 R 3.8493 7.9810 118.3076 59.4302 29.9885 178.3716 104 A 4.1021 8.1822 120.3686 54.9318 18.3520 179.8570 105 T 4.0148 8.4483 115.1232 67.1293 68.4867 177.1078 106 R 4.0838 8.0107 119.6171 58.9228 29.7785 179.3852 107 G 3.6242 7.6553 104.8614 48.0331 0.0000 175.5749 108 L 4.3719 7.9108 123.3660 56.4327 41.4097 179.0999 109 L 4.2875 7.8367 117.1484 55.6123 42.0717 177.8750 110 R 4.7342 7.5715 117.9718 54.9418 33.0226 177.2574 111 R 4.7503 7.5707 113.4980 53.8249 32.1238 175.0056 112 P 4.2767 0.0000 0.0000 65.3230 31.9009 178.5571 113 A 3.8957 7.8456 120.7422 55.0306 18.2041 179.1828 114 L 3.8168 7.7125 117.0566 58.2608 42.4621 178.5968 115 S 4.3191 8.1668 115.1899 62.1735 62.7446 176.9227 116 T 3.8765 8.0148 117.9129 66.4185 68.0710 176.5198 117 A 3.9932 7.6063 118.2551 53.4487 17.9010 178.8899 *119 I 4.0396 7.6594 122.4111 62.4746 39.4678 178.0578 120 Q 3.8390 8.3958 120.9615 59.3499 28.6824 178.1813 121 S 4.1539 7.9064 114.7599 62.0264 63.1824 176.7995 122 T 4.0085 7.8424 117.8424 66.6839 68.2181 176.7710 123 S 4.0575 8.1919 114.7281 60.7777 62.9239 175.1869 124 T 4.3407 7.4154 114.6728 61.4231 67.9655 174.0470 125 A 4.1720 7.4202 124.5566 51.5351 19.0887 177.1250 126 N 4.5417 8.6006 121.8566 53.2510 40.7475 176.2021 127 V 3.7603 8.3952 126.2271 65.9197 31.7804 177.8537 128 A 4.1597 8.2169 120.3507 55.0624 18.2680 179.5300 129 S 4.5142 8.2403 112.4440 60.2395 63.9572 174.9140 130 V 4.2188 7.9745 117.2115 58.1277 32.1691 174.0519 131 P 4.3672 0.0000 0.0000 65.7275 31.7564 178.6600 132 D 4.4618 8.1765 116.8210 56.6953 40.1076 178.3554 133 A 4.2449 8.2838 122.3090 54.6180 18.0913 178.9039 134 G 3.9958 7.9112 101.7101 45.2099 0.0000 174.8017 135 K 4.5785 7.9177 119.6265 56.1211 33.6161 178.5652 136 V 3.8214 7.5969 112.9018 64.2329 31.6988 178.1021 137 D 4.5811 8.1636 118.3605 57.4569 40.6515 178.6162 138 R 3.9694 8.0930 118.5570 59.0843 29.9011 178.1962 139 A 4.2632 7.5655 120.8910 53.9995 18.8302 179.0880 140 F 4.0986 8.3165 116.3910 61.0029 38.8255 177.2768 141 R 3.8786 7.7381 116.1121 59.9932 29.5949 177.5251 142 Q 4.1716 8.0268 117.2232 59.1135 28.2913 177.9313 143 I 3.7747 7.5345 113.9640 60.9841 38.1981 177.8803 *145 L 4.2512 8.0298 122.3277 56.1910 43.4455 179.1823 146 D 4.3285 8.0597 116.5047 56.2909 41.0136 177.2884 147 A 4.1755 7.6180 121.2079 53.8902 19.0987 177.8749 148 A 4.4504 7.5709 115.8173 51.6785 20.7337 178.9928 149 G 3.6760 8.1806 109.2850 47.1867 0.0000 174.6371 *152 H 4.6977 9.2609 117.1127 54.7799 31.5355 169.3917 153 P 5.1059 0.0000 0.0000 61.0071 33.7857 171.6415 154 T 4.5884 8.0069 112.3623 61.1387 69.3788 174.1468 155 E 3.7776 8.2209 116.9066 60.2981 29.2682 178.8525 156 E 3.9853 8.2595 117.1472 59.9752 29.4231 179.2771 157 D 4.2939 7.8364 119.2034 57.3603 40.9917 178.5815 158 L 4.0460 7.9033 118.9139 58.0411 41.5002 179.7643 159 T 3.8123 8.0276 115.3556 66.5462 68.5238 176.4815 160 A 4.0348 8.2090 122.9747 55.4806 17.9141 179.6596 161 L 3.9204 8.3047 117.6421 57.9463 41.5184 179.8647 162 R 3.9290 8.4478 118.9899 59.3452 30.1199 178.5336 163 L 4.0085 8.7264 119.8834 57.7113 41.6033 179.2837 164 L 4.0429 8.1330 120.6380 57.7579 41.9791 179.4118 165 V 3.3503 7.4414 118.7397 64.5461 31.5693 178.2548 166 Q 4.2520 7.7781 118.9769 58.7031 28.6076 178.8422 167 L 3.9590 7.8901 120.9145 58.0214 42.2033 178.6830 168 W 4.1210 8.2552 128.2225 60.4435 30.4941 177.5867 169 F 4.1000 8.7284 118.2005 60.8531 38.4674 177.3030 170 G 3.8385 8.0907 104.5304 48.3222 0.0000 175.2144 171 V 3.4998 8.3927 120.9454 65.4938 31.5368 178.3548 172 I 3.3256 7.5250 119.3811 64.2078 36.6208 177.9429 173 Q 3.8462 8.0385 119.1972 59.6411 29.2272 178.3238 174 S 4.1816 8.5294 116.1846 61.7464 62.8786 176.6985 175 C 4.4834 8.0130 122.7448 61.8081 31.3001 175.3092 176 L 4.1776 7.9844 118.3748 56.3076 42.5036 177.0461 177 N 4.9032 7.9446 116.4496 52.8032 39.3627 175.2645 178 G 3.9237 8.1965 102.4475 46.4516 0.0000 173.5547 179 R 3.8780 7.4790 119.5049 57.6773 30.7788 176.1659 180 V 4.2350 8.0135 111.1050 60.0377 33.7554 176.9901 181 S 4.8610 8.2606 117.9879 57.5089 66.3743 174.8568 182 I 3.6765 8.0708 120.9768 64.5639 37.0867 176.7585 183 P 4.3059 0.0000 0.0000 65.1015 30.9193 178.6071 184 D 4.2934 7.6797 117.3925 57.2142 41.0467 178.0167 185 A 4.1219 8.2897 121.4995 55.4924 18.5360 179.2680 186 E 3.9528 8.4672 117.1265 59.9074 29.4299 179.6923 187 S 4.1848 8.0059 114.5801 62.1347 62.8688 176.6882 188 D 4.4772 8.3109 121.4035 56.9120 40.6762 178.8791 189 I 3.8668 7.7909 113.4277 63.6522 37.7253 177.9518 190 R 3.8495 8.0758 120.1277 59.5830 29.8473 178.3168 191 R 3.8542 7.9166 117.1311 59.2527 30.1668 178.6397 192 A 4.0804 8.3124 120.5158 55.9480 18.3592 179.0703 193 C 4.0338 8.6927 115.1040 63.2533 28.0143 175.9206 194 D 4.3563 8.1832 120.0618 57.6492 40.6166 179.0913 195 L 4.1521 8.4898 118.7413 57.8781 41.8642 179.3142 196 L 4.2304 8.4041 117.7656 56.5438 41.6134 177.9425 197 L 4.7322 7.8493 118.0084 54.3445 42.2082 178.5438 198 V 3.6387 8.1644 115.2561 64.1354 31.8750 176.5016 199 N 5.0716 7.6488 114.3093 51.6506 37.1993 174.2617 200 L 4.3508 7.7540 119.7007 55.5724 43.4031 176.3921 201 S 4.3840 8.3134 118.1278 58.5108 63.1754 173.8724 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 15 S 8.32 4.50 0.00 3.99 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 16 E 7.83 4.39 0.00 2.30 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 0.00 2.24 2.52 0.00 17 E 8.49 3.96 0.00 2.09 2.09 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 2.42 2.47 0.00 18 Q 8.15 4.01 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 19 R 7.78 4.02 0.00 1.88 1.93 0.00 3.15 0.00 0.00 3.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 20 A 8.49 3.99 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 21 R 8.09 3.82 0.00 2.03 2.20 0.00 3.32 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 22 H 7.53 4.43 0.00 3.31 3.49 0.00 6.00 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.76 3.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 24 R 8.04 4.13 0.00 2.05 1.92 0.00 3.37 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 *26 L 7.85 4.01 0.00 1.68 1.67 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.10 3.88 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 28 A 8.04 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.95 3.71 2.06 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 1.45 0.86 0.93 0.00 0.00 31 E 9.02 4.01 0.00 2.19 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 0.00 2.49 2.36 0.00 32 L 8.18 4.06 0.00 1.96 1.75 0.95 0.49 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 33 A 7.90 4.25 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 34 T 7.20 4.13 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 1.21 0.00 0.00 35 E 7.74 4.11 0.00 2.03 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 2.34 2.40 0.00 36 K 7.71 4.59 0.00 1.72 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 37 E 8.45 4.07 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 38 L 8.44 3.73 0.00 1.49 1.51 0.64 1.16 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 39 A 8.12 4.04 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 40 R 7.68 4.43 0.00 1.80 1.96 0.00 3.34 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 41 V 7.45 3.76 2.26 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 0.92 0.00 0.00 0.95 0.00 0.00 42 Q 8.93 4.74 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.15 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 *44 H 8.67 4.78 0.00 3.43 3.65 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.99 3.99 0.00 2.13 2.00 0.00 0.00 0.00 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 2.13 0.00 46 V 7.66 3.53 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 0.87 0.00 0.00 0.90 0.00 0.00 47 A 7.85 3.97 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 48 K 7.81 3.79 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 49 R 7.80 3.86 0.00 1.91 2.05 0.00 3.47 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 50 A 7.57 4.38 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.70 4.44 2.13 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 0.83 0.00 0.00 0.98 0.00 0.00 53 A 8.17 4.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.36 4.03 1.95 0.00 0.00 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 1.76 1.74 0.96 0.00 0.00 55 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.83 3.70 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 57 L 7.77 4.06 0.00 1.83 1.90 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.97 4.62 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.04 3.83 0.00 1.77 1.83 0.00 3.07 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.50 0.00 60 Y 7.60 4.71 0.00 2.73 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 0.00 0.00 0.00 61 F 8.33 4.77 0.00 2.89 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 62 P 0.00 4.48 0.00 1.76 2.12 0.00 3.64 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 63 S 7.39 4.63 0.00 4.07 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 64 K 8.64 3.91 0.00 1.91 1.94 0.00 1.98 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.77 1.70 7.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 156 E 8.26 3.99 0.00 2.19 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 0.00 2.37 2.43 0.00 157 D 7.84 4.29 0.00 2.86 2.74 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 0.00 158 L 7.90 4.05 0.00 1.83 1.72 0.91 0.77 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 0.00 159 T 8.03 3.81 4.37 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 1.22 0.00 0.00 160 A 8.21 4.03 1.41 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 0.00 0.00 0.00 161 L 8.30 3.92 0.00 1.89 1.71 0.91 0.69 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 0.00 162 R 8.45 3.93 0.00 1.90 2.14 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 163 L 8.73 4.01 0.00 1.91 1.71 0.93 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.13 4.04 0.00 1.82 1.82 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.44 3.35 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.32 0.00 0.00 166 Q 7.78 4.25 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 167 L 7.89 3.96 0.00 1.82 1.86 0.94 0.99 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 0.00 168 W 8.26 4.12 0.00 3.37 3.12 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 0.00 169 F 8.73 4.10 0.00 3.35 3.02 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 0.00 170 G 8.09 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.39 3.50 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 0.99 0.00 0.00 0.96 0.00 0.00 172 I 7.53 3.33 1.04 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.14 0.68 0.00 0.00 173 Q 8.04 3.85 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 174 S 8.53 4.18 0.00 3.95 3.89 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 0.00 175 C 8.01 4.48 0.00 3.05 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 0.00 176 L 7.98 4.18 0.00 1.77 1.68 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 177 N 7.94 4.90 0.00 2.77 2.67 0.00 0.00 6.86 7.17 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 0.00 178 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.48 3.88 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 180 V 8.01 4.23 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 0.96 0.00 0.00 0.94 0.00 0.00 181 S 8.26 4.86 0.00 4.04 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 0.00 182 I 8.07 3.68 1.87 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 1.63 0.55 0.91 0.00 0.00 183 P 0.00 4.31 0.00 2.16 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 184 D 7.68 4.29 0.00 2.86 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 0.00 185 A 8.29 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.47 3.95 0.00 2.10 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 0.00 2.37 2.56 0.00 187 S 8.01 4.18 0.00 4.20 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 0.00 188 D 8.31 4.48 0.00 2.82 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 0.00 189 I 7.79 3.87 2.06 0.00 0.00 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 1.63 0.99 1.06 0.00 0.00 190 R 8.08 3.85 0.00 2.18 2.21 0.00 2.68 0.00 0.00 2.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 191 R 7.92 3.85 0.00 1.97 1.97 0.00 3.37 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 192 A 8.31 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 C 8.69 4.03 0.00 3.25 3.02 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 0.00 194 D 8.18 4.36 0.00 2.70 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 0.00 195 L 8.49 4.15 0.00 1.65 1.72 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.40 4.23 0.00 1.65 1.74 0.94 0.96 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 0.00 197 L 7.85 4.73 0.00 1.72 1.62 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.16 3.64 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 0.75 0.00 0.00 0.95 0.00 0.00 199 N 7.65 5.07 0.00 2.77 2.80 0.00 0.00 5.97 7.79 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 0.00 200 L 7.75 4.35 0.00 1.59 1.60 0.92 1.34 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 0.00 201 S 8.31 4.38 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.