NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 D 4.6945 8.3649 119.5577 53.1523 42.3677 177.9992 38 N 4.8774 7.6533 117.4348 52.1222 39.7234 175.8701 39 A 3.9744 8.4620 125.9404 55.2988 19.0670 178.9813 40 A 3.8803 8.0233 118.6582 55.1517 18.4428 179.5798 41 K 3.8978 8.0759 117.5043 59.7002 32.3978 178.5349 42 L 3.8874 7.9043 120.6227 58.1385 41.8790 178.7914 43 S 4.0779 8.5323 113.2823 61.3481 62.3491 176.0207 44 A 3.9884 8.1944 123.5220 55.2881 17.9053 179.7191 45 I 3.6673 7.7557 117.3177 64.3353 37.4767 178.4630 46 K 4.1410 8.2385 119.4706 59.4554 31.9161 179.0515 47 F 3.9539 8.4506 121.0169 61.3995 39.1614 177.2479 48 V 3.6458 7.6403 110.5820 62.0747 31.6794 176.7055 49 L 4.3242 7.2412 118.1794 54.2145 41.7473 175.9096 50 K 4.4719 7.1700 118.9791 54.5780 33.3180 176.1444 51 D 4.3426 8.7546 123.7840 53.5641 41.4181 175.4312 52 P 4.4451 0.0000 0.0000 64.6835 31.9918 177.1835 53 L 4.3202 8.5281 119.5043 56.5742 42.2028 177.7056 54 T 4.1341 8.1170 106.6964 61.3142 69.6892 175.9210 55 G 3.8277 8.4298 109.3930 45.3875 0.0000 172.9162 56 D 4.7361 7.5960 119.8064 52.4321 42.4511 175.6907 57 Y 4.4405 8.2785 119.7645 58.5422 38.3980 176.9458 58 L 4.2398 9.1602 124.6559 56.3297 42.2996 177.0548 59 V 4.6011 7.3775 116.7819 59.6131 34.6509 174.7886 60 D 4.2337 8.6080 124.9190 54.6089 42.8419 177.0634 61 E 3.3305 8.1022 126.2189 59.2531 29.6730 179.3836 62 K 4.2277 7.9873 119.8501 58.7259 31.9816 178.9550 63 E 3.9371 8.2892 119.2501 59.2234 29.5172 178.6759 64 I 3.8626 7.9489 120.0852 64.5444 37.0058 178.0242 65 E 3.9488 7.9699 118.9290 59.6567 29.2433 179.4559 66 E 4.0733 8.3143 118.3147 59.4610 29.4437 179.5449 67 I 3.7080 8.0580 120.0027 64.3062 37.1155 178.6598 68 V 3.6262 8.1203 119.3049 65.9787 31.1320 178.2321 69 K 4.0085 8.0587 117.1041 59.4197 31.9922 178.9848 70 K 4.1172 8.1991 119.0692 59.8083 32.1751 178.7443 71 T 4.1275 8.0860 115.7373 65.7150 68.7209 174.0995 72 G 4.0029 7.5489 107.1311 44.8307 0.0000 173.7042 73 I 4.1717 8.3835 124.5177 61.5625 38.7151 175.5625 74 E 4.1733 8.0684 118.0034 57.2769 29.9229 175.5867 75 T 4.8416 8.2818 116.1136 61.9601 70.7187 174.2555 76 V 4.5706 8.2988 118.9324 59.0701 36.0571 175.1722 77 V 3.9088 8.3028 123.4795 63.3834 31.4117 175.6299 78 L 4.2984 8.6563 128.5492 56.8630 42.5839 177.3885 79 K 4.3854 7.5413 117.9937 55.1610 35.6730 173.6870 80 E 4.8133 8.5717 128.1213 54.9150 31.1009 174.4500 81 Y 4.8063 8.9473 123.7967 55.4551 41.3279 176.5597 82 K 3.9157 8.9336 121.9222 59.3643 32.1532 177.1543 83 E 4.4765 8.3146 114.7917 55.3706 30.5531 175.8187 84 G 4.0220 6.7876 106.1583 45.8743 0.0000 171.0840 85 V 4.9834 8.1460 118.5060 61.2542 35.2180 175.3401 86 V 4.6984 8.9734 127.9110 61.4836 33.4928 174.2726 87 L 5.0092 9.0348 128.0908 53.1901 44.7608 176.0201 88 G 4.6165 8.9725 111.3151 43.8214 0.0000 170.7984 89 P 4.4520 0.0000 0.0000 62.1460 31.7675 175.9718 90 L 4.1819 8.0398 122.6140 55.2008 42.4620 175.5869 91 Y 4.5035 8.8022 125.4496 57.1514 39.4434 174.6335 92 E 4.9244 8.3720 123.0233 54.6390 32.2673 175.1729 93 F 4.9040 8.8311 120.7413 55.9636 44.3924 173.4209 94 V 4.9132 8.3174 119.9187 61.2185 33.5167 175.6365 95 T 4.4166 9.1473 118.5371 60.9996 69.5149 175.6571 96 K 3.9344 8.7073 122.1360 58.9794 32.0556 177.9539 97 D 4.6913 8.2089 116.5257 53.0160 39.4583 176.9223 98 G 3.9198 8.4631 106.8619 45.9349 0.0000 173.8384 99 R 4.5594 7.9120 118.5376 54.8478 32.2942 175.3922 100 N 5.1465 8.7591 119.7141 52.8476 40.0659 173.9477 101 A 5.4210 8.9539 125.4098 50.3642 22.7252 174.4814 102 Y 5.1684 9.4102 117.6210 56.2296 42.2936 174.6515 103 V 5.2410 9.5264 124.3367 61.2537 34.6756 174.4244 104 L 5.1722 9.0413 126.7236 54.9051 44.7499 174.4820 105 S 5.4204 8.7431 113.6559 57.3149 67.2182 173.4985 106 G 4.5904 8.9233 106.8765 45.9278 0.0000 171.5337 107 Y 5.6421 9.3422 120.7427 55.8383 42.7790 173.8492 108 A 4.4254 6.8561 125.0350 48.9226 23.0742 173.7629 109 P 4.3609 0.0000 0.0000 63.2486 31.8793 176.3500 110 G 4.0990 8.8170 110.0123 45.8971 0.0000 174.8294 111 F 4.2655 8.0046 118.3263 59.3845 37.1846 177.4436 *113 G 3.9960 8.9181 120.2177 47.1262 0.0000 172.7577 114 N 5.2375 8.4973 115.6481 52.8585 38.6746 170.2382 115 V 4.9447 8.1337 119.0910 62.0429 34.7291 174.7140 116 T 4.9473 8.6907 122.9696 61.8123 72.7706 172.7901 117 V 4.4356 8.8554 125.8078 61.3645 33.5553 174.4728 118 V 4.9137 8.8022 128.2433 61.4466 33.7772 174.2959 119 A 5.0744 9.0605 127.5940 50.6147 23.3417 174.2142 120 C 5.3598 8.6800 120.2137 57.6305 34.3421 172.7520 121 F 5.3052 9.6391 124.9090 55.7845 41.7606 174.3454 122 I 5.2353 8.5359 122.5333 59.2536 40.2123 174.7550 123 K 4.2429 9.4463 129.6784 56.5200 32.6549 176.1656 124 T 4.6504 8.2201 118.9786 60.2075 71.6633 175.6354 125 E 3.8311 8.1834 117.3268 58.9991 29.8370 178.2105 126 D 5.0744 7.6048 115.7722 53.0183 43.0865 175.9927 127 G 4.2468 7.0456 115.5716 46.1187 0.0000 175.5139 128 F 4.9129 8.2312 126.7293 55.7746 41.5662 172.5615 *130 L 3.6850 8.4314 126.3185 56.2210 42.5996 178.1699 131 N 4.3548 9.1055 126.5850 56.2388 39.3786 174.7799 132 S 3.3120 7.2019 110.2346 57.2388 65.7786 173.5798 133 V 4.6272 6.8116 122.0529 61.3123 34.8988 174.2483 134 R 4.5808 9.1067 126.7618 54.7957 33.4138 173.6139 135 V 4.3056 8.7559 127.3541 61.8488 32.8031 174.9316 136 I 4.0549 8.7110 129.4543 59.6341 39.0819 174.1657 137 D 4.9641 8.2912 127.6791 52.9335 41.3013 175.3909 138 Y 4.2475 9.6486 128.3695 60.7448 38.0268 178.4539 139 S 4.4004 8.6554 117.8350 61.0451 64.3948 180.9742 140 Q 4.2078 8.5219 118.4070 56.0671 25.6089 179.7134 *152 E 4.3880 8.8048 115.1636 56.7077 32.6905 179.5672 153 S 4.2165 7.8044 112.8047 61.2375 63.8220 176.8267 154 I 3.7395 7.9410 121.5702 64.4142 36.8425 178.2231 155 Q 4.2460 7.9370 118.7046 58.7258 27.9880 178.5710 156 R 3.0318 7.7097 118.5952 57.7615 29.8210 178.6512 157 R 3.9260 7.7947 117.5047 58.1787 30.0833 177.7189 158 F 4.5444 7.9825 116.1273 57.1239 39.6482 175.0155 159 F 5.1521 6.5889 111.6155 54.8943 40.8771 172.3398 160 P 4.9619 0.0000 0.0000 62.7002 32.7035 175.4381 161 V 4.5680 8.4009 120.1747 60.4565 34.3061 173.7704 162 P 4.6611 0.0000 0.0000 61.3800 32.6448 175.1723 163 P 4.9772 0.0000 0.0000 65.2230 31.0300 178.7630 164 E 4.1086 8.2711 116.0196 59.1556 29.3218 179.3555 165 G 3.5453 7.9674 105.5527 47.7692 0.0000 175.3102 166 L 3.9106 7.7367 121.2582 57.1497 41.2559 179.7910 167 K 4.1647 7.9978 117.9552 59.4041 32.0217 178.8696 168 N 4.4886 7.8600 116.4285 53.3283 38.7421 176.1191 169 G 3.9201 7.3407 107.6449 45.7636 0.0000 173.2879 170 L 4.9334 8.6433 123.5548 54.3635 42.5135 176.5904 171 R 4.7460 7.9262 116.5677 54.9100 32.8964 174.8149 172 V 4.2435 8.3779 114.2988 61.2421 32.6559 176.8435 173 D 4.2946 8.7758 122.9138 56.6283 39.9537 178.8669 174 K 3.8896 8.3338 118.5961 59.5467 32.2275 178.7096 175 D 4.3204 7.9564 117.0237 56.7591 40.7880 176.9772 176 A 4.3386 7.8712 119.5778 51.8153 18.9252 177.0992 177 G 3.6954 7.7836 104.3067 46.5507 0.0000 174.3189 178 L 3.5941 7.8749 115.4940 54.7607 39.5034 173.3385 179 P 4.4350 0.0000 0.0000 62.2626 32.5706 177.2009 180 K 4.1117 8.1655 119.4129 56.6868 32.7276 175.5962 181 G 4.0910 8.5657 106.1463 43.3148 0.0000 174.6046 182 S 4.3245 8.8708 118.0860 57.2251 65.0388 173.6245 183 P 4.1817 0.0000 0.0000 66.1231 30.7608 178.8194 184 E 3.9396 7.9717 115.8068 59.3435 29.8065 178.7583 185 E 4.1066 8.3128 118.7400 59.3635 29.4898 179.4033 186 L 4.0322 8.0165 119.0867 57.5963 41.6163 179.4974 187 K 4.0507 8.1133 119.9354 58.8585 31.7477 179.3728 188 K 3.9984 7.5227 116.8981 58.7984 31.9757 178.2424 189 Q 4.4806 7.9393 116.1607 55.0359 29.2104 176.1639 190 G 3.8487 8.1224 108.8825 45.8238 0.0000 172.5660 191 I 4.8522 7.4830 120.2790 59.1889 39.8479 174.6391 192 V 3.7966 8.5279 128.0137 61.1822 32.7972 174.6423 193 K 4.6806 8.3836 130.4882 55.8307 32.3036 176.5106 194 V 4.4274 9.0382 119.3999 60.4727 33.7968 177.8975 195 S 4.0999 8.3517 114.4804 60.6894 62.8481 174.7872 196 D 4.5198 8.0418 120.8390 54.5089 40.0420 177.2738 197 V 3.8752 7.7121 122.7110 61.2270 32.7990 182.3807 *203 I 4.0872 7.8148 118.3751 59.6173 37.4762 175.8414 204 T 3.9306 8.3811 115.7587 62.2944 67.8505 172.5812 205 P 4.5920 0.0000 0.0000 65.8748 31.4467 178.7513 206 R 3.9474 8.1592 116.2347 59.2464 29.9634 178.7917 207 A 3.7473 7.7785 120.1080 54.7808 18.2538 179.8322 208 V 3.7862 7.8672 116.4064 66.3312 31.5876 178.2705 209 V 3.7661 8.2083 118.0592 66.4558 31.2385 178.0740 210 T 3.8132 8.1435 115.0536 66.5577 68.1038 176.2148 211 A 4.0295 7.7790 121.1647 55.3848 18.4753 179.3173 212 L 4.3250 7.9590 115.8771 58.2490 42.0464 179.2368 213 N 4.6573 8.6180 116.6909 56.1300 38.3409 177.9637 214 L 3.9897 7.9921 118.9627 55.0356 41.5373 178.5588 *216 Y 3.9072 7.8621 121.5255 57.6091 40.7804 177.0040 217 R 3.6860 8.0747 118.6562 59.4183 30.1135 178.3684 218 Y 3.9531 8.1083 119.1839 60.6860 38.9618 177.9214 219 L 3.6218 7.6185 119.3040 57.8070 41.4828 179.2094 220 E 3.8881 7.7310 118.4660 59.3428 29.0784 179.3495 221 E 3.7992 7.5900 117.4938 59.4101 29.6787 179.3934 222 V 3.6919 7.1273 109.6134 62.8361 31.8741 177.8870 223 S 4.4438 7.6835 116.0049 60.1015 63.0645 174.8332 224 K 4.1595 7.3132 127.3699 54.6830 31.4571 182.1074 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 37 D 8.36 4.69 0.00 2.71 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 38 N 7.65 4.88 0.00 2.83 2.88 0.00 0.00 6.91 6.80 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 39 A 8.46 3.97 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 40 A 8.02 3.88 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 41 K 8.08 3.90 0.00 1.97 1.88 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.59 7.81 42 L 7.90 3.89 0.00 1.81 1.65 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.53 4.08 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.19 3.99 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 45 I 7.76 3.67 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.78 0.00 0.00 46 K 8.24 4.14 0.00 2.07 2.11 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.61 7.81 47 F 8.45 3.95 0.00 3.14 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 48 V 7.64 3.65 1.93 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 1.09 0.00 0.00 0.99 0.00 0.00 49 L 7.24 4.32 0.00 1.68 1.49 -0.31 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.17 4.47 0.00 1.26 1.31 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.34 0.92 7.81 51 D 8.75 4.34 0.00 2.58 2.48 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 52 P 0.00 4.45 0.00 2.42 2.43 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 53 L 8.53 4.32 0.00 1.75 1.75 0.93 0.72 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 54 T 8.12 4.13 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 1.20 0.00 0.00 55 G 8.43 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 56 D 7.60 4.74 0.00 2.71 2.58 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 57 Y 8.28 4.44 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 58 L 9.16 4.24 0.00 1.70 1.69 0.86 0.61 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 59 V 7.38 4.60 1.93 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 0.85 0.00 0.00 0.88 0.00 0.00 60 D 8.61 4.23 0.00 2.76 2.47 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 0.00 0.00 0.00 0.00 61 E 8.10 3.33 0.00 1.16 1.56 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 2.20 2.15 0.00 62 K 7.99 4.23 0.00 2.06 1.80 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.17 7.81 63 E 8.29 3.94 0.00 2.02 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 2.46 2.43 0.00 64 I 7.95 3.86 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.83 0.00 0.00 65 E 7.97 3.95 0.00 2.23 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 2.32 2.43 0.00 66 E 8.31 4.07 0.00 2.17 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 2.33 2.48 0.00 67 I 8.06 3.71 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.61 0.00 0.00 68 V 8.12 3.63 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 0.98 0.00 0.00 0.78 0.00 0.00 69 K 8.06 4.01 0.00 1.88 1.88 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 70 K 8.20 4.12 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 71 T 8.09 4.13 4.53 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 1.08 0.00 0.00 72 G 7.55 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 73 I 8.38 4.17 1.93 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 1.51 0.93 0.95 0.00 0.00 74 E 8.07 4.17 0.00 2.16 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 2.37 2.28 0.00 75 T 8.28 4.84 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 1.24 0.00 0.00 76 V 8.30 4.57 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 0.78 0.00 0.00 0.88 0.00 0.00 77 V 8.30 3.91 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 0.74 0.00 0.00 0.89 0.00 0.00 78 L 8.66 4.30 0.00 1.25 1.28 0.55 0.82 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 79 K 7.54 4.39 0.00 1.86 1.54 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.31 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.32 1.10 7.81 80 E 8.57 4.81 0.00 1.97 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 2.23 2.35 0.00 81 Y 8.95 4.81 0.00 3.12 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 82 K 8.93 3.92 0.00 2.03 1.91 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.05 7.81 83 E 8.31 4.48 0.00 1.99 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 0.00 2.26 2.23 0.00 84 G 6.79 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 85 V 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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 0.00 0.00 0.00 0.00 94 V 8.32 4.91 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 0.91 0.00 0.00 1.00 0.00 0.00 95 T 9.15 4.42 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 1.28 0.00 0.00 96 K 8.71 3.93 0.00 1.77 1.93 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.58 7.81 97 D 8.21 4.69 0.00 2.76 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 98 G 8.46 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 99 R 7.91 4.56 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 100 N 8.76 5.15 0.00 2.89 2.80 0.00 0.00 6.70 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.95 5.42 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 0.00 102 Y 9.41 5.17 0.00 3.11 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 0.00 103 V 9.53 5.24 2.56 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 1.24 0.00 0.00 1.05 0.00 0.00 104 L 9.04 5.17 0.00 1.94 1.85 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.74 5.42 0.00 3.89 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 0.00 106 G 8.92 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.34 5.64 0.00 3.19 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 0.00 108 A 6.86 4.43 0.75 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 0.00 0.00 109 P 0.00 4.36 0.00 1.96 2.02 0.00 3.59 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 110 G 8.82 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.00 4.27 0.00 3.05 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 *113 G 8.92 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 0.00 114 N 8.50 5.24 0.00 2.39 2.75 0.00 0.00 6.01 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.13 4.94 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 0.18 0.00 0.00 0.85 0.00 0.00 116 T 8.69 4.95 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 1.38 0.00 0.00 117 V 8.86 4.44 2.21 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 1.00 0.00 0.00 1.01 0.00 0.00 118 V 8.80 4.91 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 1.00 0.00 0.00 0.98 0.00 0.00 119 A 9.06 5.07 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 0.00 120 C 8.68 5.36 0.00 2.93 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 0.00 121 F 9.64 5.31 0.00 3.15 3.13 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 0.00 122 I 8.54 5.24 2.02 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 1.34 1.09 1.07 0.00 0.00 123 K 9.45 4.24 0.00 1.95 1.83 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.40 1.27 7.81 124 T 8.22 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 1.27 0.00 0.00 125 E 8.18 3.83 0.00 2.01 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 0.00 2.24 1.96 0.00 126 D 7.60 5.07 0.00 2.63 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 0.00 127 G 7.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.90 0.66 -0.03 0.00 0.00 137 D 8.29 4.96 0.00 2.53 2.46 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 0.00 138 Y 9.65 4.25 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 0.00 139 S 8.66 4.40 0.00 3.63 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 0.00 140 Q 8.52 4.21 0.00 2.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 *152 E 8.80 4.39 0.00 1.91 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 0.00 2.21 1.88 0.00 153 S 7.80 4.22 0.00 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.94 3.74 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 1.03 0.00 0.00 155 Q 7.94 4.25 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.21 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 173 D 8.78 4.29 0.00 2.69 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 0.00 174 K 8.33 3.89 0.00 1.82 1.90 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.46 7.81 175 D 7.96 4.32 0.00 2.87 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 0.00 176 A 7.87 4.34 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 0.00 177 G 7.78 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.87 3.59 0.00 1.75 1.67 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.44 0.00 2.15 2.03 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 180 K 8.17 4.11 0.00 2.01 1.77 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.01 7.81 181 G 8.57 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 8.87 4.32 0.00 4.18 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 0.00 183 P 0.00 4.18 0.00 2.10 2.07 0.00 3.55 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 2.06 2.14 0.00 184 E 7.97 3.94 0.00 1.88 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 0.00 2.28 2.41 0.00 185 E 8.31 4.11 0.00 2.12 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 2.31 2.33 0.00 186 L 8.02 4.03 0.00 1.78 1.77 0.93 0.72 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 0.00 187 K 8.11 4.05 0.00 1.93 1.96 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 188 K 7.52 4.00 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 189 Q 7.94 4.48 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.23 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 190 G 8.12 3.85 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 0.00 191 I 7.48 4.85 1.97 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 1.20 1.20 0.86 0.00 0.00 192 V 8.53 3.80 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 -0.27 0.00 0.00 0.73 0.00 0.00 193 K 8.38 4.68 0.00 1.72 1.62 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.57 7.81 194 V 9.04 4.43 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 0.58 0.00 0.00 0.88 0.00 0.00 195 S 8.35 4.10 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 D 8.04 4.52 0.00 2.79 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 0.00 197 V 7.71 3.88 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 0.69 0.00 0.00 0.93 0.00 0.00 *203 I 7.81 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.91 0.00 0.00 204 T 8.38 3.93 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 0.00 205 P 0.00 4.59 0.00 2.31 2.39 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 206 R 8.16 3.95 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 207 A 7.78 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 7.87 3.79 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.03 0.00 0.00 209 V 8.21 3.77 2.30 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 1.13 0.00 0.00 1.15 0.00 0.00 210 T 8.14 3.81 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 1.18 0.00 0.00 211 A 7.78 4.03 1.51 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 0.00 212 L 7.96 4.32 0.00 1.95 1.94 1.11 1.03 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 0.00 213 N 8.62 4.66 0.00 2.96 2.89 0.00 0.00 7.08 6.72 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 0.00 214 L 7.99 3.99 0.00 1.81 1.47 0.91 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *216 Y 7.86 3.91 0.00 2.95 3.13 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 0.00 217 R 8.07 3.69 0.00 1.85 1.82 0.00 3.09 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 218 Y 8.11 3.95 0.00 3.23 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 0.00 219 L 7.62 3.62 0.00 0.95 0.51 -0.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 220 E 7.73 3.89 0.00 1.76 1.78 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 1.48 1.64 0.00 221 E 7.59 3.80 0.00 1.83 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 2.29 2.44 0.00 222 V 7.13 3.69 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.64 0.00 0.00 223 S 7.68 4.44 0.00 3.95 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 0.00 224 K 7.31 4.16 0.00 1.90 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.