NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 3.9228 8.1245 118.5496 60.7813 37.3755 175.3977 *5 Y 3.6853 8.4366 115.3504 57.9378 35.5251 171.0916 6 E 4.8759 7.8537 116.9003 55.3475 30.3630 174.3114 7 P 4.5040 0.0000 0.0000 63.9265 31.8045 175.8466 8 R 4.6992 7.9813 116.6826 54.0766 34.0811 174.1901 9 L 4.5756 8.3400 122.3256 55.3715 42.9533 176.3173 10 S 4.5544 8.8531 120.4507 58.5562 66.5920 172.0180 11 R 4.7251 8.2701 117.2690 56.2480 32.6248 175.2109 12 I 4.7960 8.3489 125.3062 59.0957 42.5655 173.7579 13 A 4.4668 8.4962 129.5395 51.5441 19.0381 178.7823 14 I 3.7560 8.8366 125.4159 64.4854 37.3147 177.6492 15 D 4.6338 8.0123 116.3310 54.2872 39.1751 176.4671 16 K 4.4263 8.1323 118.5571 56.3378 33.8640 176.4504 17 L 4.2203 7.4431 119.8748 54.6948 42.4917 176.7809 18 R 4.5480 8.3670 122.7876 53.9584 31.3927 174.5981 19 P 4.9227 0.0000 0.0000 63.0702 32.5272 175.9650 20 T 5.2659 8.8850 108.7146 61.3049 70.5139 172.8580 21 Q 5.0697 8.0904 117.6348 55.8106 31.2896 174.1619 22 I 4.2617 8.5038 119.7272 62.7834 38.7378 175.5405 23 A 5.4046 7.9414 120.8936 50.5757 22.3634 175.2191 24 V 4.6789 9.1205 111.9663 60.2825 37.5281 174.2235 25 G 4.4951 8.8727 108.5061 44.4565 0.0000 175.0704 26 F 4.6722 10.0753 127.2100 60.2151 38.9161 177.7503 27 R 3.8850 8.1605 118.2918 59.2952 29.7368 178.0205 28 E 3.8547 8.1835 118.4809 59.5399 29.7917 178.1281 29 V 3.5323 7.8914 117.8499 66.6534 31.3724 177.4466 30 E 3.9308 8.8292 117.8788 59.5767 29.4784 179.4554 31 L 3.9409 7.9769 118.5499 57.8726 41.7773 179.4251 32 K 3.8901 8.2712 118.4665 60.0406 32.0224 179.4558 33 R 4.0514 8.4494 118.1620 59.0801 29.8827 179.4063 34 K 3.9829 8.2345 118.4130 59.4921 31.9034 178.8277 35 E 3.9589 7.9793 117.3418 59.4757 29.7979 179.1625 36 W 4.2486 8.3409 127.8804 60.5835 30.6229 177.9557 37 R 4.0140 8.3161 117.4886 58.2850 29.5387 176.4646 38 E 4.6725 7.8932 118.1394 56.1091 30.2418 175.6154 39 T 4.4734 7.4325 110.5088 59.7619 71.4170 173.2673 40 R 3.2519 8.4227 118.0222 60.7455 29.5040 177.5589 *46 D 4.4772 8.0839 120.1272 53.8258 41.2580 175.5025 47 F 4.9535 8.4457 114.0482 59.4559 39.9476 175.7683 48 L 4.4655 7.5108 122.0176 54.8065 41.4538 177.6017 49 G 4.0201 8.2732 112.5823 43.7210 0.0000 171.4001 50 N 4.6802 8.7647 123.7223 52.4715 40.0448 174.9470 51 H 4.4638 8.2483 116.3223 55.9807 29.4117 175.1776 52 I 4.9556 8.0856 122.6673 59.4647 40.4318 175.2928 53 V 4.6033 8.3724 124.6359 59.2503 34.6481 173.3236 54 P 5.0397 0.0000 0.0000 63.0524 33.1987 174.9150 55 V 4.9602 8.2714 119.0927 62.1138 35.7848 172.7203 56 V 4.8584 8.7144 123.0280 60.9349 35.1988 173.9772 57 A 4.7776 8.9696 129.3535 51.3073 20.0709 177.2408 58 G 3.8337 8.9171 113.8877 43.0332 0.0000 171.4449 59 P 4.1883 0.0000 0.0000 63.2344 32.4110 177.5498 60 K 3.7561 8.1771 118.8141 57.9914 30.5299 175.9795 61 D 4.8269 8.5361 125.7498 55.3434 41.2866 176.4911 62 R 4.2071 7.8774 119.1553 56.0806 31.5645 175.3116 63 A 5.0362 8.3655 124.0970 50.8990 21.2787 175.2904 64 Y 4.7579 8.8919 120.8539 55.9872 40.1720 175.1223 65 L 4.4774 8.7273 127.5485 55.3623 42.2265 176.4799 66 I 4.6201 8.4019 125.4230 61.9410 39.4232 174.6381 67 D 4.6907 7.8605 118.8769 53.9861 44.4343 173.2940 68 H 4.2333 8.7713 114.0707 57.3312 25.9444 177.2657 69 H 4.1502 8.6610 118.8437 59.4864 28.3816 176.7802 70 H 4.1650 8.2577 117.4145 58.7661 28.6132 177.4882 71 L 3.8980 7.8801 121.6516 58.1239 41.9781 178.9668 72 V 3.4670 7.9323 118.3201 65.8221 31.4621 177.7440 73 L 3.8549 8.3744 120.3786 57.8601 41.8742 178.6628 74 A 3.8769 8.2125 121.1534 55.3369 18.3379 179.7120 75 L 3.4638 7.8318 117.4085 57.4587 41.5539 179.6695 76 S 3.9643 8.1647 113.4567 61.4581 62.2093 176.4030 77 K 3.9000 8.1812 119.8057 59.1773 31.7816 178.1390 78 E 4.4074 7.7059 116.5611 56.1407 29.5088 177.3095 79 G 3.8751 7.9260 107.4136 45.5200 0.0000 173.7732 80 V 3.8966 7.5126 119.8563 62.0387 32.3885 175.9133 81 E 4.1176 8.8940 125.1298 58.5552 30.3017 175.8006 82 H 5.5676 7.8962 114.1412 53.5058 32.3467 173.8610 83 V 4.4931 8.6206 119.2410 59.7955 35.0579 174.9112 84 L 4.5432 8.3508 122.8208 55.3399 42.9873 175.9108 85 T 5.6935 8.5966 110.9188 59.8727 73.3567 172.6175 86 S 5.0072 8.2419 115.5963 55.5581 65.7237 172.2698 87 E 4.5302 8.9855 129.0784 56.4251 29.7317 176.4458 88 V 4.3889 8.1957 119.1834 60.6242 32.7539 175.3917 89 A 4.1503 7.0509 120.4109 51.1568 22.2255 175.7805 90 K 4.3729 8.2130 120.3963 54.5824 34.5900 175.4566 91 F 5.2325 8.8023 126.3037 57.3735 39.5450 177.5224 92 S 4.3524 8.1460 114.8076 59.9216 62.8554 174.5572 93 H 4.4701 8.2361 116.2120 57.1935 28.9520 175.5433 94 L 4.2127 7.8472 121.2221 53.8231 42.3848 177.4541 95 G 3.8829 8.2641 108.4717 44.4589 0.0000 174.7426 96 K 4.0215 8.4334 118.5352 59.0225 32.2519 178.9902 97 D 4.4728 8.1426 117.9428 57.6062 41.2097 177.9103 98 E 3.9242 8.1243 119.1323 58.9960 29.5269 177.9977 99 F 3.8133 8.2369 120.2089 61.3356 39.4106 176.9307 100 W 3.9305 7.8419 116.6884 59.5046 29.1097 177.8891 101 S 4.3181 7.9822 112.7734 61.5586 61.6604 177.7938 102 V 3.6019 7.6735 118.3488 63.3915 30.9982 176.9224 *104 D 4.5472 8.0720 118.4465 54.0279 42.7390 176.9565 105 H 4.1685 8.4703 117.9302 58.5435 29.9444 175.8193 106 R 4.4647 8.0873 116.2866 55.2997 30.0883 175.6750 107 N 4.4172 7.9598 113.9376 55.0883 36.1706 174.7830 108 L 4.8241 8.2667 115.0232 54.4255 42.9761 176.2861 109 I 5.1578 7.6877 111.2026 59.5951 40.5476 175.3426 110 Y 4.5417 8.4739 121.2616 55.9087 39.6081 172.8115 111 P 4.5799 0.0000 0.0000 61.1439 30.5114 176.2778 112 F 4.8480 6.9243 117.7368 55.9707 42.4504 175.6289 113 D 4.6406 8.5065 124.8108 51.9356 40.5752 177.0298 114 A 4.1709 8.7989 122.3112 54.5844 18.2193 178.3076 115 Q 4.6043 9.1218 114.3887 55.9443 28.9320 176.2977 116 G 3.9853 8.7616 104.7106 47.1756 0.0000 174.2840 117 L 4.2199 8.0076 120.1052 53.5352 42.3387 176.2551 118 R 3.1191 8.6341 123.5814 57.1139 30.1404 175.5005 119 R 4.6032 8.0605 123.9981 54.1653 34.5558 174.9507 120 Q 4.0364 8.3425 119.2304 55.4886 30.1730 177.7421 121 S 3.4948 8.5317 116.5010 61.6394 62.8603 177.3701 122 G 3.6967 7.7756 107.2204 48.6298 0.0000 173.9156 123 D 4.4011 7.9375 118.0626 55.4178 41.0711 176.7061 124 I 3.7360 7.7020 122.2669 60.0683 37.3296 174.2648 125 P 4.3876 0.0000 0.0000 63.1463 31.5300 176.5968 126 K 4.2312 8.6767 119.9303 58.2751 32.8093 177.0592 127 N 4.9776 7.7245 115.1631 50.9615 41.1587 175.1452 128 I 3.7161 8.5546 123.6607 65.0091 37.1845 177.8877 129 H 4.1455 8.1731 112.9366 57.9366 28.0825 175.2464 130 D 4.7628 7.8871 118.7082 54.1872 41.1564 176.5253 131 L 4.3467 8.0310 120.2668 55.7436 42.2208 177.1556 132 E 4.3895 9.2647 122.4459 55.8344 31.6055 175.0294 133 D 4.2431 8.0477 121.6288 52.9953 42.2085 175.4964 134 D 4.8562 9.8045 128.8439 52.2401 41.5135 175.0985 135 P 4.3240 0.0000 0.0000 65.6908 31.3864 178.2683 136 F 4.1305 8.5344 117.6203 60.0209 38.7545 177.4538 137 R 3.9429 8.4084 118.8537 59.5238 29.6532 178.7837 138 S 4.1968 7.9801 114.5755 61.2180 62.8767 176.0869 139 L 4.0633 8.1707 122.8854 58.3189 41.6817 178.8012 140 A 4.2994 8.5549 119.6999 55.2392 18.6900 179.4896 141 G 3.6906 8.3890 103.9405 48.0702 0.0000 175.8676 142 A 4.0999 7.9282 122.2511 54.3771 18.6786 179.0408 143 L 4.0443 8.2291 119.4057 58.1395 42.2161 179.7227 144 R 3.3588 7.4054 117.7891 56.1525 30.0080 177.7843 *146 A 4.1308 8.1380 121.3489 50.5338 20.4760 178.1576 147 G 4.0498 7.6129 104.2744 45.6067 0.0000 175.4733 148 G 3.5416 7.9738 111.3493 47.8179 0.0000 173.2690 149 Y 4.7893 6.6023 115.2905 55.8658 41.4499 173.8454 150 A 4.6641 8.5625 120.9025 49.8341 21.4484 176.9064 151 K 4.1682 8.5177 119.5742 57.2802 32.7738 176.4250 152 V 4.5563 8.0997 121.5049 61.3691 34.8085 174.7123 153 I 3.9583 8.5035 115.9220 63.1093 38.0270 176.4054 154 I 3.4975 7.5765 120.3512 59.9230 35.8802 173.3972 155 P 4.0688 0.0000 0.0000 63.7497 31.8226 176.2513 156 F 4.1790 8.2181 117.6779 58.7219 36.6946 177.4393 157 S 4.2644 7.6763 115.7709 62.0627 62.1080 175.2933 158 E 4.1629 8.3389 120.2416 59.7087 29.2255 179.3625 159 F 4.6241 8.0899 117.6581 60.1401 38.7989 178.0579 160 G 3.5273 8.0268 105.3917 47.5727 0.0000 175.9203 161 W 3.8648 8.1199 120.9510 59.2414 28.8928 178.3239 162 A 4.2306 8.5864 120.1943 55.2896 18.1374 178.8704 163 D 4.3799 8.4961 116.7026 57.2458 41.2537 178.0010 164 F 4.0703 8.1782 121.2148 61.6303 39.3708 177.3011 165 L 3.9356 8.4923 118.6694 57.2428 41.1759 179.2624 166 R 2.5534 7.3145 114.7934 57.3750 29.6531 177.8830 167 R 4.2103 7.0854 116.7642 56.5080 30.3549 176.8121 168 R 4.4804 7.2728 114.9428 55.1057 33.1012 175.0162 169 I 4.4989 7.7512 118.7282 58.7248 39.7801 174.9658 170 D 4.4788 8.6441 124.4586 54.3196 41.8544 177.1887 171 R 4.1156 8.9483 125.5122 59.6424 30.1988 178.7586 172 D 4.4504 8.3796 118.0940 57.1683 40.7685 178.4325 173 L 4.0319 7.9575 121.1273 57.7989 41.8519 178.6138 174 L 4.1042 7.7549 119.5024 57.3304 42.1712 178.0142 175 S 4.5440 7.8605 112.9523 60.0728 63.7099 175.9875 176 D 4.7663 7.8064 121.8346 55.8174 41.1031 177.2578 177 S 4.3933 8.5893 120.8204 55.6643 63.9290 173.8594 178 F 3.8347 9.1501 130.5045 61.6401 39.0505 176.5443 179 D 4.4024 8.1832 117.7136 57.3892 40.7501 178.3388 180 D 4.4013 8.0754 118.9879 57.0884 40.7847 178.6005 181 A 3.9820 8.0588 121.6706 54.6895 18.0425 179.4923 182 L 3.7511 7.6630 118.5605 58.0978 42.2480 178.5965 183 A 4.1361 8.1208 120.2034 55.1122 18.5959 179.1832 184 E 4.1267 8.1850 116.7646 59.3983 29.4621 180.3798 185 A 4.0322 7.8247 117.9991 52.8436 18.2546 178.9796 *187 K 3.8593 8.0107 123.4006 57.8470 34.2813 177.1535 188 L 4.3383 8.2528 118.4916 57.4883 42.1411 178.6073 189 A 4.6487 9.1767 121.5018 55.7008 18.1317 179.0219 190 K 4.1890 8.1773 111.7937 57.9054 32.4665 177.5022 191 S 4.8110 8.9454 115.5652 57.0131 64.5198 175.4886 192 R 3.9922 8.7428 120.2711 59.2418 30.0491 178.8527 193 E 3.8712 7.9682 118.0498 58.8828 29.8773 177.1385 194 A 3.6840 7.9904 120.2498 51.6227 18.6875 178.9588 195 R 2.0000 7.1640 115.3952 58.6403 29.1314 177.4013 196 H 4.3593 7.4855 111.5600 55.6170 29.3086 175.0738 197 L 3.9996 6.8680 121.5915 52.7354 42.5115 174.2544 198 P 4.4108 0.0000 0.0000 64.1480 32.1347 176.8170 199 G 4.2305 9.1123 109.0162 46.1744 0.0000 172.9503 200 W 4.8565 7.8231 129.5611 58.0046 31.4213 176.2883 201 C 4.3555 6.4718 122.3688 57.6922 32.1379 172.6767 202 G 3.5026 5.3800 109.1996 44.0284 0.0000 169.7350 203 V 3.7962 8.2510 119.3990 62.7328 32.2029 176.6521 204 E 4.4877 8.8554 125.2331 56.6604 29.5777 175.8078 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 4 I 8.12 3.92 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 1.27 1.21 0.91 0.00 0.00 *5 Y 8.44 3.69 0.00 2.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.88 0.00 2.01 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 2.11 2.13 0.00 7 P 0.00 4.50 0.00 2.17 2.05 0.00 3.71 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 1.99 1.99 0.00 8 R 7.98 4.70 0.00 1.83 1.80 0.00 3.12 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 9 L 8.34 4.58 0.00 1.65 1.58 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.85 4.55 0.00 3.82 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 11 R 8.27 4.73 0.00 1.69 1.77 0.00 3.04 0.00 0.00 2.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 12 I 8.35 4.80 1.85 0.00 0.00 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 1.12 1.52 0.87 0.00 0.00 13 A 8.50 4.47 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 14 I 8.84 3.76 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.84 0.00 0.00 15 D 8.01 4.63 0.00 2.75 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 16 K 8.13 4.43 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.48 7.81 17 L 7.44 4.22 0.00 1.41 1.53 0.87 0.90 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 18 R 8.37 4.55 0.00 0.67 1.40 0.00 3.32 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.00 19 P 0.00 4.92 0.00 2.19 2.19 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 20 T 8.88 5.27 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 21 Q 8.09 5.07 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 7.03 0.00 0.00 0.00 0.00 0.00 2.01 2.41 0.00 22 I 8.50 4.26 2.07 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.89 0.00 0.00 23 A 7.94 5.40 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 24 V 9.12 4.68 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 0.75 0.00 0.00 1.25 0.00 0.00 25 G 8.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 10.08 4.67 0.00 3.22 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 27 R 8.16 3.89 0.00 1.79 1.77 0.00 2.36 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 28 E 8.18 3.85 0.00 2.06 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 2.29 2.32 0.00 29 V 7.89 3.53 2.22 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 0.81 0.00 0.00 0.99 0.00 0.00 30 E 8.83 3.93 0.00 2.08 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 2.51 2.52 0.00 31 L 7.98 3.94 0.00 1.81 1.71 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.27 3.89 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 33 R 8.45 4.05 0.00 1.98 2.17 0.00 3.32 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 34 K 8.23 3.98 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 35 E 7.98 3.96 0.00 2.18 2.12 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 2.38 2.36 0.00 36 W 8.34 4.25 0.00 3.51 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.32 4.01 0.00 2.22 2.07 0.00 3.31 0.00 0.00 3.68 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 38 E 7.89 4.67 0.00 2.13 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 2.21 2.17 0.00 39 T 7.43 4.47 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 1.16 0.00 0.00 40 R 8.42 3.25 0.00 1.85 1.71 0.00 3.30 0.00 0.00 3.28 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 *46 D 8.08 4.48 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.89 4.76 0.00 3.26 3.20 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 65 L 8.73 4.48 0.00 1.63 1.58 1.00 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 66 I 8.40 4.62 2.12 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 1.27 1.16 0.98 0.00 0.00 67 D 7.86 4.69 0.00 2.57 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 68 H 8.77 4.23 0.00 3.43 3.41 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.66 4.15 0.00 3.23 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.26 4.16 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.88 3.90 0.00 1.74 1.78 0.75 0.65 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.94 4.40 0.00 2.65 2.62 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 0.00 124 I 7.70 3.74 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.38 1.07 0.00 0.00 125 P 0.00 4.39 0.00 2.39 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 126 K 8.68 4.23 0.00 1.77 1.93 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.63 7.81 127 N 7.72 4.98 0.00 2.38 2.49 0.00 0.00 7.12 7.45 0.00 0.00 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 I 8.55 3.72 1.84 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 1.44 0.93 0.90 0.00 0.00 129 H 8.17 4.15 0.00 3.17 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.89 4.76 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.03 4.35 0.00 1.68 1.83 1.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 132 E 9.26 4.39 0.00 2.06 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 2.31 2.28 0.00 133 D 8.05 4.24 0.00 1.58 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 0.00 0.00 0.00 134 D 9.80 4.86 0.00 2.84 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 0.00 135 P 0.00 4.32 0.00 2.01 2.21 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 136 F 8.53 4.13 0.00 3.46 3.32 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 0.00 137 R 8.41 3.94 0.00 2.00 2.24 0.00 2.65 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 138 S 7.98 4.20 0.00 4.21 3.98 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 0.00 139 L 8.17 4.06 0.00 1.66 1.90 0.38 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.55 4.30 1.53 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 0.00 0.00 0.00 141 G 8.39 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 0.00 0.00 0.00 142 A 7.93 4.10 1.59 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 0.00 143 L 8.23 4.04 0.00 2.07 1.82 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.41 3.36 0.00 0.99 1.55 0.00 2.92 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 *146 A 8.14 4.13 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 0.00 147 G 7.61 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 0.00 148 G 7.97 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 6.60 4.79 0.00 2.81 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 0.00 0.00 0.00 0.00 150 A 8.56 4.66 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 0.00 151 K 8.52 4.17 0.00 1.64 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 152 V 8.10 4.56 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 0.91 0.00 0.00 1.05 0.00 0.00 153 I 8.50 3.96 1.88 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 1.44 0.73 0.92 0.00 0.00 154 I 7.58 3.50 1.92 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 1.51 0.43 0.97 0.00 0.00 155 P 0.00 4.07 0.00 1.86 1.95 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 156 F 8.22 4.18 0.00 3.24 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 0.00 157 S 7.68 4.26 0.00 4.09 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 0.00 158 E 8.34 4.16 0.00 2.01 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 2.42 2.65 0.00 159 F 8.09 4.62 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.03 3.53 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 0.00 0.00 0.00 0.00 161 W 8.12 3.86 0.00 3.40 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.59 4.23 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 0.00 0.00 0.00 0.00 0.00 163 D 8.50 4.38 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.18 4.07 0.00 2.87 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 0.00 165 L 8.49 3.94 0.00 1.93 1.89 1.24 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.31 2.55 0.00 0.67 1.72 0.00 2.97 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 167 R 7.09 4.21 0.00 1.60 1.86 0.00 3.20 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 168 R 7.27 4.48 0.00 1.59 1.67 0.00 2.21 0.00 0.00 2.68 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.00 169 I 7.75 4.50 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 1.00 0.00 0.00 170 D 8.64 4.48 0.00 2.70 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 0.00 171 R 8.95 4.12 0.00 1.97 2.05 0.00 3.26 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 172 D 8.38 4.45 0.00 2.87 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 0.00 173 L 7.96 4.03 0.00 1.83 1.71 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.75 4.10 0.00 1.63 1.57 -0.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.86 4.54 0.00 4.10 3.98 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 0.00 176 D 7.81 4.77 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.59 4.39 0.00 3.76 3.75 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 0.00 178 F 9.15 3.83 0.00 3.24 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 0.00 179 D 8.18 4.40 0.00 2.79 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 D 8.08 4.40 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.66 3.75 0.00 1.63 1.78 0.99 1.27 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 0.00 183 A 8.12 4.14 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 184 E 8.18 4.13 0.00 2.27 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 0.00 2.35 2.33 0.00 185 A 7.82 4.03 1.46 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 0.00 0.00 *187 K 8.01 3.86 0.00 1.80 2.13 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.53 7.81 188 L 8.25 4.34 0.00 2.22 2.09 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 189 A 9.18 4.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.18 4.19 0.00 1.84 1.92 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.37 7.81 191 S 8.95 4.81 0.00 4.09 4.14 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 0.00 192 R 8.74 3.99 0.00 1.96 2.03 0.00 3.13 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 193 E 7.97 3.87 0.00 2.00 2.22 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 2.56 2.34 0.00 194 A 7.99 3.68 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 0.00 195 R 7.16 2.00 0.00 0.67 0.96 0.00 2.80 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.18 0.00 196 H 7.49 4.36 0.00 3.11 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 6.87 4.00 0.00 0.96 0.46 -1.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.41 0.00 2.30 2.10 0.00 3.43 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 199 G 9.11 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 0.00 0.00 0.00 0.00 200 W 7.82 4.86 0.00 3.45 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 C 6.47 4.36 0.00 3.03 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 5.38 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 8.25 3.80 2.16 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 0.88 0.00 0.00 0.93 0.00 0.00 204 E 8.86 4.49 0.00 2.10 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 0.00 2.62 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.