NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7709 8.3549 109.7316 45.2611 0.0000 172.6738 *2 E 4.3071 8.3316 117.3836 56.2017 30.6334 175.4742 3 I 4.4768 8.1393 121.0507 60.7539 41.1585 175.0029 4 N 4.1686 8.7795 124.5291 54.3881 36.0492 174.3870 5 A 3.9314 7.8073 117.2229 52.1644 19.7469 177.7558 6 D 4.6245 7.3526 117.4166 52.8410 40.3347 176.4269 7 F 4.4181 8.6194 123.7368 58.3386 39.1563 176.8024 8 T 4.1807 8.2460 110.9528 62.6311 69.1403 174.4642 9 K 4.7008 7.5229 122.6057 53.8711 33.7253 174.6806 10 P 4.6232 0.0000 0.0000 62.8851 32.3735 175.7813 11 V 4.6049 8.8673 122.1318 61.0868 34.8980 174.5078 12 V 4.9759 8.3862 125.8218 60.0983 34.4552 174.7229 13 I 4.6076 8.9889 124.2975 59.6978 41.4051 174.5035 14 D 4.9243 8.8405 127.0110 53.1902 40.2049 176.4778 15 T 3.9481 8.2426 116.5893 63.9690 69.1485 176.9003 16 D 4.3870 8.1600 120.7168 56.3388 40.8929 176.6226 17 Q 4.3947 7.7942 116.6726 55.4783 29.3213 175.5946 18 L 4.2389 7.1945 118.9319 53.5241 42.4781 176.7525 19 E 4.0302 8.4506 122.6402 56.0140 30.0495 176.9133 20 W 4.3913 8.5528 123.1711 57.0150 29.9044 175.7187 21 R 4.9452 9.0861 122.7124 53.4061 33.5483 173.3159 22 P 4.7594 0.0000 0.0000 63.0571 32.2746 176.1322 23 S 4.6118 8.2883 117.9220 55.4441 65.4837 173.3172 24 P 4.4259 0.0000 0.0000 61.9225 29.6540 176.8560 *26 K 3.9345 7.7806 117.8137 57.4569 33.4232 175.1690 27 G 3.9145 8.8025 111.9069 45.8151 0.0000 172.3027 28 V 4.8010 7.5258 119.6958 60.6163 34.1828 174.2229 29 E 5.3221 8.7174 125.1633 54.6647 33.3756 174.7297 30 R 5.4227 9.3431 116.0473 55.2264 33.6180 173.9288 31 R 4.7673 9.0813 119.0230 54.6300 33.7862 176.6286 *33 L 3.9132 8.5302 118.2882 54.2850 43.2384 177.1115 34 D 5.1561 7.5955 116.4438 52.0682 43.5219 174.2353 35 R 5.0994 8.8429 119.5717 55.5484 34.4079 173.4822 36 I 4.8741 9.4123 126.1934 59.8506 41.7520 173.5679 37 G 4.3391 8.9290 114.0588 43.7886 0.0000 174.9184 38 G 3.8460 8.3795 112.3053 45.7225 0.0000 174.8043 39 E 3.9063 9.5031 121.8862 58.2841 30.0542 175.8654 40 V 4.0846 7.4632 117.4300 60.8363 32.7934 174.2132 41 A 4.7911 7.9073 127.8341 49.5882 22.5487 175.2461 42 R 4.4204 8.4714 121.0272 56.5777 31.2787 175.4539 43 A 5.2718 9.0969 127.4268 50.7609 23.2816 174.6590 44 T 4.9265 8.9365 118.4147 61.7184 72.0749 173.4429 45 S 4.6562 8.4506 119.2140 57.4300 67.2449 172.9010 46 I 4.9074 8.4298 121.8398 59.7044 39.3505 175.0901 47 V 4.9273 9.0221 126.5824 61.0021 35.0458 173.9148 48 R 4.9227 8.6923 127.5300 54.7060 32.8586 173.6374 49 Y 5.1280 9.0141 124.4375 56.2190 39.7239 175.4015 50 A 4.3729 8.9242 126.9272 51.0290 19.3260 175.6095 51 P 4.1768 0.0000 0.0000 64.3835 31.8697 177.0053 52 G 3.8167 8.4651 109.4681 45.8126 0.0000 173.6194 53 S 4.0228 7.7896 119.3847 58.8887 63.7585 174.2989 54 R 4.5702 7.6920 124.0906 55.0174 32.6876 171.1209 55 F 5.1119 8.2125 121.6092 54.7212 43.0243 174.9160 56 S 4.5323 8.7036 116.1997 57.0723 64.0490 174.2164 57 A 4.3256 8.2503 124.4604 52.8511 18.7745 176.2259 58 H 5.1315 8.7637 115.3682 54.3636 32.7243 172.1219 59 T 4.7980 8.4571 114.4338 62.2775 71.7439 174.5203 60 H 4.5796 8.6324 122.8601 54.2906 28.1380 175.4335 61 D 4.1323 8.5131 123.4940 56.0461 41.1699 177.7687 62 G 2.1106 6.7671 105.2737 43.7111 0.0000 173.7610 63 G 3.1886 7.9833 104.5461 45.1990 0.0000 172.4260 64 E 4.9685 8.1749 120.4985 54.5627 33.1807 173.4649 65 E 5.1478 9.4198 128.4309 54.3371 32.7512 174.4876 66 F 5.4343 8.3785 120.3967 55.7151 42.1911 172.9113 67 I 5.0287 8.8464 120.6883 59.5551 40.1447 175.0241 68 V 4.2174 9.0125 127.9555 62.7530 31.7686 176.3439 69 L 4.3671 9.1728 129.3674 57.0473 42.5891 176.7332 70 D 4.5863 8.0364 116.0116 54.1799 44.6143 176.9676 71 G 3.9151 8.9683 110.9081 44.8567 0.0000 171.8556 72 V 4.8643 7.9817 119.8918 61.3057 34.1076 176.5459 73 F 4.5661 9.1534 130.7313 58.2389 41.0019 174.1408 74 Q 5.1804 7.1554 121.2304 54.8041 33.5537 174.4623 75 D 5.1308 9.1619 119.4425 52.1038 41.9276 175.3981 76 E 3.9022 8.8759 115.2985 59.5029 29.5838 177.4928 77 H 4.8678 8.4387 115.9386 55.4912 29.8623 174.6869 78 G 3.9038 8.0295 105.4539 44.2555 0.0000 172.6158 79 D 5.2676 8.2105 121.8178 53.2385 43.4602 176.6589 80 Y 4.7327 9.1995 119.6147 55.6204 40.1816 173.5339 81 P 5.2244 0.0000 0.0000 61.1498 34.1328 175.4564 82 A 4.3960 7.9692 122.1520 54.2127 18.4160 178.0852 83 G 4.0602 9.3444 111.4324 45.1459 0.0000 173.3611 84 T 4.7369 7.9517 117.1004 62.8061 70.2990 173.0861 85 Y 5.1729 9.1926 127.5998 55.8709 41.6113 174.4709 86 V 4.2957 7.6519 125.3291 60.7956 35.5201 174.1292 87 R 4.6066 8.0247 125.9670 54.4766 33.0846 174.3876 88 N 4.6217 9.0422 123.2522 50.4923 40.2141 172.8318 89 P 3.3449 0.0000 0.0000 60.4188 33.5386 173.9000 90 P 4.2271 0.0000 0.0000 64.6897 31.3866 177.1930 91 T 3.4358 8.4134 111.8863 61.5241 68.5469 172.1319 92 T 4.3496 7.3744 112.8669 61.8484 70.4840 173.8241 93 S 5.1068 8.1557 117.1872 57.8514 67.5359 172.5016 94 H 4.8966 8.6033 116.3332 56.3162 32.6397 172.6563 95 V 4.5946 8.9790 119.2342 60.4765 32.3814 172.9998 96 P 4.7028 0.0000 0.0000 62.5452 33.5561 175.0595 97 G 3.7071 7.8367 106.7777 46.4530 0.0000 172.8150 98 S 4.5544 8.4362 114.3801 57.3519 64.2248 174.4432 99 A 3.9764 9.5213 131.2026 55.0964 18.5329 179.1860 100 E 4.0229 8.3508 112.0346 56.7617 30.4115 178.0376 101 G 4.1911 9.5201 103.5205 46.0787 0.0000 171.7998 102 C 5.1866 8.1547 111.8821 57.7105 33.5445 172.7188 103 T 5.3286 8.9889 117.0021 61.8163 71.5029 173.2886 104 I 5.1659 9.2377 118.9131 59.1055 41.5678 173.8388 105 F 5.1909 9.1333 127.2763 56.9673 40.8651 174.8330 106 V 4.7851 8.4102 125.5981 59.7252 34.9241 174.4693 107 K 4.9570 9.1787 123.0716 54.6009 35.0577 175.1013 108 L 5.1264 8.8589 124.7010 53.0919 45.3817 176.5813 109 W 3.6865 8.2778 118.6253 57.7211 27.0232 175.1241 110 Q 4.7472 8.5259 113.3605 55.7031 29.2114 175.6681 111 F 4.5306 8.2176 116.8015 55.8814 40.4975 175.1978 112 D 4.5041 8.5125 123.2868 53.7852 41.5625 175.6166 113 P 4.2004 0.0000 0.0000 65.2192 31.4444 176.9637 114 A 4.3562 8.3192 119.0814 52.2012 19.2420 176.9359 115 D 4.5037 7.9764 116.8476 54.5187 41.5905 176.0112 116 R 4.5676 8.4894 123.4643 56.0481 31.4988 175.1140 117 T 4.3274 8.7907 116.6607 63.0374 68.5117 173.9194 118 Q 4.8936 8.2966 127.9916 54.2619 31.6331 174.1725 119 F 4.9642 7.9547 119.4375 56.4953 41.6774 172.5180 120 S 5.3425 8.9238 113.2977 56.7009 66.2468 173.1300 121 K 4.7731 9.3531 121.1554 55.2828 34.5751 175.3282 122 N 4.8521 8.7562 125.3278 52.8576 41.0693 174.9307 *124 E 4.5651 8.6716 117.6308 56.2852 31.3406 178.3181 125 A 4.1340 8.3715 120.4784 54.2291 18.4787 177.8089 126 E 4.6356 7.3723 112.8976 55.8361 30.0826 176.1054 127 L 4.2186 7.7002 119.4708 55.3052 42.2478 177.7595 128 G 4.0483 8.5251 110.6231 44.9719 0.0000 173.0045 129 A 4.4791 8.4062 121.3750 50.8494 19.1359 176.0278 130 P 4.4174 0.0000 0.0000 62.8924 32.4770 175.9970 131 V 4.1556 8.6401 122.6764 62.0363 33.6419 175.4257 132 E 3.9410 9.9397 129.0785 57.5601 26.9674 175.8643 133 G 3.9271 8.0437 104.2211 45.5344 0.0000 172.0613 134 I 4.9890 7.7211 120.8349 59.5047 40.4696 174.5061 135 S 5.0390 9.0439 123.7958 57.1680 65.2834 173.4155 136 T 5.0054 8.4000 119.8153 61.6871 72.2205 172.7232 137 S 4.9071 8.9501 120.6996 56.1426 64.8812 172.7015 138 L 4.2410 8.5843 130.3407 55.3292 41.7582 176.0821 139 L 4.5406 8.5987 126.8757 56.7447 43.3938 176.7641 140 H 4.7826 7.7392 114.4753 55.5886 33.2116 172.7732 141 E 4.9715 8.5264 125.2521 54.7561 32.6069 173.7567 142 D 4.6861 8.5258 124.1270 51.9950 42.3246 175.1173 143 E 4.0077 8.8365 118.3111 59.1802 29.7406 178.1984 144 R 4.4620 8.5922 117.8067 57.1347 32.2389 176.2550 145 E 5.0914 8.0852 115.1871 55.1346 33.8409 174.6672 146 T 4.9733 8.8250 116.8844 61.8445 72.2968 173.0083 147 V 4.3345 9.0368 127.1405 61.0593 33.8605 174.4624 148 T 4.9942 7.7441 116.4790 60.1555 72.8072 171.7477 149 H 5.2239 8.9101 122.7047 54.6637 32.4160 173.4445 150 R 5.0115 8.7406 123.5548 54.1709 34.0585 174.0059 151 K 4.8340 8.9827 125.0123 54.6194 34.7379 174.4660 152 L 5.1384 8.9434 127.8067 52.8133 44.1513 176.3718 153 E 4.4826 9.1991 123.8155 55.1950 31.0908 174.8400 154 P 4.5183 0.0000 0.0000 64.6361 31.5946 177.3487 155 G 3.9118 8.7500 111.4437 45.0636 0.0000 173.3662 156 A 4.2193 8.0029 122.7354 51.7601 19.6944 175.9009 157 N 5.2089 8.6830 120.3222 51.7591 41.1213 173.4290 158 L 4.6272 8.9803 128.8538 53.7872 44.0722 174.9017 159 T 5.1013 8.5195 122.7349 61.7687 71.2391 173.3229 160 S 4.6375 9.1579 121.2720 56.0810 65.5440 174.1298 161 E 4.7979 8.6074 125.5585 55.7605 30.0360 175.9683 162 A 4.0050 7.6453 121.6437 52.2961 19.0192 178.5070 163 A 4.1471 8.3631 124.4171 53.1359 19.5941 178.3277 164 G 3.8075 8.4761 108.4107 45.5329 0.0000 174.2639 165 G 4.2764 8.7889 104.9328 45.2633 0.0000 172.9277 166 I 5.1053 8.3150 120.3495 59.2697 41.1952 174.0788 167 E 5.0797 9.3709 127.5905 54.4146 32.6507 174.9053 168 V 4.8235 8.9691 125.8610 61.0565 35.4854 173.5173 169 L 5.1687 9.1167 129.2692 53.1767 44.7147 175.2234 170 V 4.0623 8.8446 127.3334 62.9729 31.9410 176.3389 171 L 4.3297 9.1401 128.7261 57.0492 42.7804 176.4073 172 D 4.4253 8.2096 115.5865 54.2016 44.2634 176.4333 173 G 4.0362 9.3313 110.0965 45.9157 0.0000 171.9894 174 D 5.0164 8.1778 118.7144 52.4232 43.3471 175.3831 175 V 4.7910 8.6562 112.8441 59.9658 36.0651 174.7554 176 T 4.8166 8.9841 121.3918 62.8457 70.1989 174.0889 177 V 4.6530 8.4286 125.7899 60.0718 34.5896 175.2550 178 N 4.2478 9.5232 127.1999 55.0389 35.9126 174.0713 179 D 4.4140 8.0260 111.2858 55.0280 39.4879 173.5946 180 E 4.6594 7.9437 119.0403 54.6187 32.0550 175.3750 181 V 4.2957 8.3583 124.0685 62.0766 32.5159 175.3855 182 L 4.4038 9.2985 130.4714 53.6812 42.7439 176.4196 183 G 4.3991 8.1582 116.5386 43.9504 0.0000 171.0872 184 R 3.9691 8.4615 119.5835 58.1593 30.6105 177.2733 185 N 4.3749 9.5076 120.8766 53.4483 37.0965 173.8022 186 A 4.5674 8.1600 121.6514 51.8143 19.7791 176.7630 187 W 5.3106 9.2735 131.2025 55.4897 34.0630 174.0466 188 L 4.8357 8.4126 127.9387 53.1366 45.3490 174.9198 189 R 4.7500 8.5805 125.7989 54.5211 33.3755 173.4346 190 L 5.0912 9.0301 126.8827 52.0824 44.6068 174.7581 191 P 4.7928 0.0000 0.0000 61.9706 33.2000 175.4443 192 E 4.1069 8.6593 119.6694 58.5465 29.6186 177.8297 193 G 3.9284 9.0298 111.8520 45.0503 0.0000 172.8168 194 E 4.1732 7.6588 120.7840 54.9755 30.0886 175.8325 195 A 4.3614 8.4295 128.2531 51.9302 19.6141 175.8765 196 L 4.5278 8.6603 122.9759 53.5375 44.5315 175.2666 197 S 5.0533 8.6282 119.7441 56.5174 65.5990 172.1101 198 A 4.8672 9.2632 129.4188 50.4344 22.1625 174.4095 199 T 5.0443 8.6158 119.1552 61.3549 71.5813 173.9482 200 A 4.4989 8.9246 129.0284 52.0705 19.9472 178.5006 201 G 4.1747 8.8384 109.3707 44.2087 0.0000 174.0118 202 A 3.9870 8.6809 121.1639 54.7307 18.4019 178.8702 203 R 4.3568 8.0069 112.0770 55.4797 31.2593 177.7813 204 G 3.7967 9.3837 108.0444 45.4918 0.0000 172.1886 205 A 5.0015 8.0671 117.7385 51.0338 23.3558 176.1335 206 K 5.1807 9.0020 119.1863 54.5881 35.7830 175.6530 207 I 5.1390 8.9185 117.1053 59.1280 41.7328 173.9760 208 W 5.4149 8.9031 133.1279 54.7124 34.1017 174.0380 *210 K 4.2069 8.2786 121.4955 56.2332 32.9570 174.3635 211 T 5.1091 8.8424 116.2300 61.0151 71.6514 174.8733 212 G 4.2941 9.5508 111.3700 44.7602 0.0000 175.4034 213 H 4.5924 8.3693 114.5922 58.0529 29.0008 177.1144 214 L 4.0018 7.6247 119.0131 56.5298 41.4591 178.1270 215 R 3.9983 7.3840 116.5043 57.6148 30.0631 176.8934 216 F 4.8497 7.6056 116.6096 56.7403 39.9852 175.2693 217 V 3.5748 8.0023 123.4244 63.5376 31.6421 175.9364 218 R 4.7384 8.2802 124.7037 54.4496 33.0258 171.5856 219 T 4.2472 8.4017 119.0124 61.4949 69.3282 173.1057 220 P 4.0766 0.0000 0.0000 62.9552 31.7789 176.2612 221 E 4.1986 8.6789 120.6539 56.5364 29.6128 175.9491 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 0 G 8.35 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 8.33 4.31 0.00 1.99 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 0.00 2.22 2.31 0.00 3 I 8.14 4.48 1.85 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 1.29 1.46 0.91 0.00 0.00 4 N 8.78 4.17 0.00 3.02 2.84 0.00 0.00 7.00 7.35 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 5 A 7.81 3.93 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 6 D 7.35 4.62 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.42 0.00 3.08 3.11 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 8 T 8.25 4.18 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 9 K 7.52 4.70 0.00 1.75 1.73 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.37 1.33 7.81 10 P 0.00 4.62 0.00 2.02 2.16 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 11 V 8.87 4.60 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 1.28 0.00 0.00 0.97 0.00 0.00 12 V 8.39 4.98 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 0.80 0.00 0.00 1.00 0.00 0.00 13 I 8.99 4.61 2.18 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.95 0.00 0.00 14 D 8.84 4.92 0.00 2.69 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 15 T 8.24 3.95 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 1.29 0.00 0.00 16 D 8.16 4.39 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.79 4.39 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 18 L 7.19 4.24 0.00 1.54 1.37 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.45 4.03 0.00 1.93 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 2.29 2.28 0.00 20 W 8.55 4.39 0.00 3.18 3.16 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 21 R 9.09 4.95 0.00 1.71 1.79 0.00 3.29 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 22 P 0.00 4.76 0.00 2.07 2.05 0.00 3.77 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 1.99 1.97 0.00 23 S 8.29 4.61 0.00 3.83 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 24 P 0.00 4.43 0.00 2.03 2.08 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 *26 K 7.78 3.93 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 27 G 8.80 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 0.00 0.00 0.00 28 V 7.53 4.80 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 0.58 0.00 0.00 0.99 0.00 0.00 29 E 8.72 5.32 0.00 2.24 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 1.74 1.47 0.00 30 R 9.34 5.42 0.00 1.82 1.99 0.00 2.65 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 31 R 9.08 4.77 0.00 1.33 1.56 0.00 2.21 0.00 0.00 2.64 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.00 *33 L 8.53 3.91 0.00 0.86 0.13 0.12 0.62 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 34 D 7.60 5.16 0.00 2.92 2.90 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 35 R 8.84 5.10 0.00 1.86 1.75 0.00 3.01 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 36 I 9.41 4.87 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 1.10 0.00 0.00 37 G 8.93 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 0.00 0.00 0.00 0.00 38 G 8.38 3.85 0.00 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0.00 4.20 0.00 2.12 2.17 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 114 A 8.32 4.36 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 0.00 115 D 7.98 4.50 0.00 2.84 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 0.00 116 R 8.49 4.57 0.00 1.80 1.86 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 117 T 8.79 4.33 4.56 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 1.54 0.00 0.00 118 Q 8.30 4.89 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 119 F 7.95 4.96 0.00 3.20 3.11 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 0.00 120 S 8.92 5.34 0.00 4.09 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 0.00 121 K 9.35 4.77 0.00 2.20 1.99 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 131 V 8.64 4.16 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 0.98 0.00 0.00 0.92 0.00 0.00 132 E 9.94 3.94 0.00 2.07 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 0.00 2.23 2.27 0.00 133 G 8.04 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 0.00 134 I 7.72 4.99 1.85 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 1.21 0.99 0.87 0.00 0.00 135 S 9.04 5.04 0.00 3.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.40 5.01 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 1.15 0.00 0.00 137 S 8.95 4.91 0.00 3.95 3.76 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 0.00 138 L 8.58 4.24 0.00 1.64 1.53 0.92 0.98 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 0.00 139 L 8.60 4.54 0.00 1.31 1.37 0.57 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.74 4.78 0.00 3.72 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.53 4.97 0.00 1.83 1.67 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 2.12 2.38 0.00 142 D 8.53 4.69 0.00 2.85 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 0.00 143 E 8.84 4.01 0.00 1.90 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 2.28 2.33 0.00 144 R 8.59 4.46 0.00 1.60 1.42 0.00 2.51 0.00 0.00 2.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 145 E 8.09 5.09 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 146 T 8.82 4.97 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 1.15 0.00 0.00 147 V 9.04 4.33 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 0.57 0.00 0.00 0.96 0.00 0.00 148 T 7.74 4.99 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 1.09 0.00 0.00 149 H 8.91 5.22 0.00 3.29 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.74 5.01 0.00 1.64 1.68 0.00 3.23 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 151 K 8.98 4.83 0.00 1.76 1.61 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 152 L 8.94 5.14 0.00 1.60 1.53 0.89 0.80 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 0.00 153 E 9.20 4.48 0.00 1.85 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 0.00 2.53 2.44 0.00 154 P 0.00 4.52 0.00 2.04 2.16 0.00 3.71 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 2.04 2.10 0.00 155 G 8.75 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 0.00 0.00 0.00 156 A 8.00 4.22 1.26 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 0.00 0.00 0.00 157 N 8.68 5.21 0.00 2.71 2.69 0.00 0.00 6.90 7.78 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 0.00 158 L 8.98 4.63 0.00 1.73 1.48 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.52 5.10 4.22 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 1.19 0.00 0.00 160 S 9.16 4.64 0.00 3.79 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 0.00 161 E 8.61 4.80 0.00 1.95 1.89 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 2.19 2.25 0.00 162 A 7.65 4.01 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 0.00 163 A 8.36 4.15 1.26 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 0.00 0.00 0.00 164 G 8.48 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 0.00 0.00 0.00 165 G 8.79 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 0.00 0.00 0.00 0.00 166 I 8.32 5.11 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.77 0.86 0.00 0.00 167 E 9.37 5.08 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 2.64 2.36 0.00 168 V 8.97 4.82 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 1.03 0.00 0.00 0.89 0.00 0.00 169 L 9.12 5.17 0.00 1.42 1.32 1.01 0.42 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 0.00 170 V 8.84 4.06 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 1.00 0.00 0.00 0.96 0.00 0.00 171 L 9.14 4.33 0.00 1.71 1.76 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.21 4.43 0.00 2.81 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 0.00 173 G 9.33 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 0.00 0.00 0.00 174 D 8.18 5.02 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 0.00 175 V 8.66 4.79 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 0.76 0.00 0.00 0.93 0.00 0.00 176 T 8.98 4.82 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 0.00 177 V 8.43 4.65 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 1.09 0.00 0.00 0.91 0.00 0.00 178 N 9.52 4.25 0.00 2.84 2.81 0.00 0.00 7.21 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.03 4.41 0.00 2.81 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 0.00 180 E 7.94 4.66 0.00 2.04 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 2.23 2.41 0.00 181 V 8.36 4.30 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 0.79 0.00 0.00 0.93 0.00 0.00 182 L 9.30 4.40 0.00 1.78 1.62 1.00 0.66 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 0.00 183 G 8.16 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 0.00 0.00 0.00 0.00 184 R 8.46 3.97 0.00 1.81 1.90 0.00 3.54 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 185 N 9.51 4.37 0.00 2.98 2.97 0.00 0.00 6.55 7.35 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 0.00 186 A 8.16 4.57 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 0.00 187 W 9.27 5.31 0.00 3.41 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 0.00 188 L 8.41 4.84 0.00 1.63 1.28 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.58 4.75 0.00 0.91 1.30 0.00 3.48 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 190 L 9.03 5.09 0.00 1.52 1.48 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 191 P 0.00 4.79 0.00 2.12 2.28 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 192 E 8.66 4.11 0.00 1.95 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 0.00 2.23 2.31 0.00 193 G 9.03 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 0.00 194 E 7.66 4.17 0.00 1.94 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 2.27 2.23 0.00 195 A 8.43 4.36 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 0.00 196 L 8.66 4.53 0.00 1.74 1.50 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 197 S 8.63 5.05 0.00 3.87 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 0.00 198 A 9.26 4.87 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 0.00 199 T 8.62 5.04 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 1.25 0.00 0.00 200 A 8.92 4.50 1.25 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 0.00 0.00 0.00 201 G 8.84 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 0.00 202 A 8.68 3.99 1.30 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 0.00 0.00 0.00 203 R 8.01 4.36 0.00 2.07 1.97 0.00 3.39 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 204 G 9.38 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 0.00 0.00 0.00 205 A 8.07 5.00 1.24 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 0.00 0.00 0.00 206 K 9.00 5.18 0.00 1.75 1.82 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.39 7.81 207 I 8.92 5.14 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 1.10 0.69 0.93 0.00 0.00 208 W 8.90 5.41 0.00 3.36 2.97 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 0.00 0.00 0.00 *210 K 8.28 4.21 0.00 1.24 1.41 0.00 1.34 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 211 T 8.84 5.11 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 1.14 0.00 0.00 212 G 9.55 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 0.00 0.00 0.00 0.00 213 H 8.37 4.59 0.00 3.43 3.62 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 L 7.62 4.00 0.00 1.74 1.71 1.03 0.68 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 0.00 215 R 7.38 4.00 0.00 0.97 1.20 0.00 2.96 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 1.62 1.45 0.00 216 F 7.61 4.85 0.00 3.06 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 0.00 217 V 8.00 3.57 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 0.38 0.00 0.00 0.18 0.00 0.00 218 R 8.28 4.74 0.00 1.81 1.62 0.00 3.31 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 219 T 8.40 4.25 4.22 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 1.14 0.00 0.00 220 P 0.00 4.08 0.00 1.28 0.49 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 221 E 8.68 4.20 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.