NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3705 8.0333 110.9409 61.0134 70.4287 174.5990 3 K 3.8218 8.5232 122.2493 59.0311 31.7998 177.9332 4 A 4.0462 8.8655 121.9991 55.4285 18.6977 179.1091 5 E 3.9827 8.2302 116.9540 59.5444 29.4215 179.6512 6 L 4.1826 7.9046 118.8941 57.7847 41.6366 179.7376 7 R 4.0035 8.2766 118.2638 59.0881 29.9587 178.9663 8 R 3.9395 7.9110 118.6108 59.5017 30.1707 178.6038 9 R 3.9591 8.0400 117.9659 59.3281 29.9976 178.3993 10 A 4.2632 8.5226 120.9096 55.2244 18.5175 179.7627 11 R 3.8798 8.4249 116.5063 59.4455 29.9633 179.0141 12 A 4.0670 7.9274 119.0944 55.2294 18.4913 179.2530 13 A 4.0976 8.1009 118.9785 55.1990 18.3619 179.9467 14 W 4.0572 8.5232 117.8850 59.5725 28.8295 178.4841 15 R 4.2681 7.9038 114.3611 57.8197 29.3753 177.4787 16 R 4.2091 7.6825 115.2487 56.6806 30.1105 175.9798 17 L 4.6095 7.3744 118.8923 53.9788 42.9502 176.4738 18 D 4.6577 8.2519 118.7470 52.9152 41.2498 176.4469 19 L 4.1082 8.4078 129.6770 57.9414 42.3007 178.3117 20 K 3.9052 8.2090 118.9105 59.5584 32.1460 178.4927 21 A 4.0022 8.2945 120.9319 55.2666 18.2981 179.7012 22 L 3.9980 8.2612 117.6354 57.7668 41.6099 179.9104 23 S 4.2132 8.4428 115.6499 61.7351 62.8200 176.9753 24 R 3.9359 8.0725 120.4908 59.1436 29.8192 179.0366 25 A 4.0083 8.1330 120.7086 55.1205 18.4944 179.9079 26 V 3.6524 8.3026 117.3848 66.0386 31.4009 178.4660 27 G 3.6541 8.0938 104.2508 47.7757 0.0000 175.1976 28 A 4.1657 8.1818 123.0094 54.8659 18.2571 179.3935 29 A 4.1584 7.9087 117.3198 54.3322 18.8266 179.3990 30 L 4.2089 7.9609 117.7474 57.3296 41.5567 179.1447 31 L 3.9366 7.8510 120.3491 57.7134 41.9627 177.1333 32 P 4.2484 0.0000 0.0000 65.3274 31.1724 178.3864 33 W 4.2031 8.1819 126.6442 60.4115 30.7501 177.8244 34 L 3.5208 7.9038 118.9193 57.7235 40.7231 179.8040 35 R 3.9994 7.6926 116.7311 59.2678 30.0901 178.6496 36 E 4.0310 8.0046 117.3468 59.5858 29.5787 179.4735 37 R 3.6321 7.5859 116.8087 56.2319 30.0512 176.8755 38 G 3.8920 7.6630 106.1338 46.8657 0.0000 174.0266 39 F 4.5544 7.6754 117.1269 57.8756 39.6902 175.5628 40 R 4.5089 9.9771 122.0246 56.4725 33.3054 174.9813 41 H 5.2188 9.3379 115.3990 54.1755 32.1507 172.1049 42 I 4.8977 8.8771 124.8962 59.1602 40.2960 174.6716 43 L 5.0178 9.0243 129.7475 54.3438 42.8350 174.5239 44 L 5.2517 8.7283 131.5193 54.5946 43.8865 175.4864 45 Y 4.8337 7.6951 120.5087 57.1897 40.5271 173.5401 46 H 4.6128 8.8377 121.6568 54.5093 30.6129 173.1304 47 P 4.7214 0.0000 0.0000 62.8255 31.7051 175.7988 48 L 4.6613 8.6588 123.8873 51.9828 44.2087 174.2896 49 P 4.2385 0.0000 0.0000 63.9840 31.7154 175.6176 50 H 3.1112 8.3564 114.4184 56.2401 26.1660 174.8508 51 E 4.4716 7.1504 115.1100 54.2553 33.5886 175.6144 52 L 4.2055 8.6183 122.6693 54.5878 42.3077 176.5617 53 N 4.5216 8.9046 123.0632 53.4411 38.2919 174.1538 54 L 4.6168 8.0598 124.7010 54.3031 42.3483 178.5363 55 L 3.6906 7.7490 121.0792 57.3843 41.3087 177.0190 56 P 4.3307 0.0000 0.0000 64.3420 31.5199 178.5365 57 L 3.8670 7.7650 121.5828 54.2160 40.9473 179.0416 *59 E 4.1338 8.3009 117.8175 56.2459 31.4279 176.7848 60 A 4.1838 7.5377 120.3384 54.1980 18.3696 176.7018 61 Y 4.6597 8.2341 116.9861 54.3061 38.9532 171.2683 62 P 4.3643 0.0000 0.0000 62.6214 32.0855 175.4374 63 A 4.1942 7.8990 122.3688 51.1129 22.3312 175.5098 64 R 4.0763 8.1670 118.8675 56.2283 31.0391 175.9818 65 Y 5.2921 8.4217 121.3777 56.6359 41.2810 174.3924 66 Y 5.4555 9.1277 118.3257 56.5975 43.1675 174.1798 67 L 5.3027 9.3010 121.5040 52.3849 45.7225 174.3833 68 P 5.0615 0.0000 0.0000 62.2621 32.8983 175.1140 69 K 4.5356 8.5349 122.0095 54.4015 35.5867 175.2456 70 V 3.8416 8.1769 126.6041 62.5995 32.4066 175.6690 71 A 4.3318 9.1890 131.7135 52.0983 21.2786 176.0976 72 G 4.1226 8.3495 114.2803 47.9365 0.0000 173.1768 73 K 4.7027 8.9391 123.6953 55.7150 32.2381 175.7499 74 G 4.3947 7.9466 108.1311 43.6812 0.0000 172.1291 75 L 4.9767 8.4389 120.0166 53.1660 43.3431 176.1629 76 T 4.7734 8.6622 112.9534 59.8681 72.6513 172.7663 77 V 4.7394 8.2414 121.7448 61.5494 34.0928 173.9122 78 H 5.5054 9.0819 124.2757 53.0851 32.4212 171.5371 79 P 4.4283 0.0000 0.0000 62.5502 32.0487 175.9346 80 F 3.9849 8.6342 125.6340 59.4837 39.7305 174.8678 81 G 3.7792 7.0760 110.6551 45.4228 0.0000 170.7534 82 P 4.4273 0.0000 0.0000 62.7685 32.5455 176.0414 83 L 4.9166 8.0283 121.4314 52.7648 44.5892 176.7465 84 A 3.8565 8.2801 122.1837 55.2001 18.5605 177.6664 *92 E 4.0048 7.8822 115.4430 54.8615 30.6236 173.4823 93 P 4.6511 0.0000 0.0000 63.2874 31.8579 176.0451 94 T 4.3307 8.0454 109.7988 62.5176 70.0413 175.6533 95 T 3.9859 7.7016 111.9751 60.6632 69.2869 172.1565 96 P 4.3702 0.0000 0.0000 62.3615 31.9791 174.4317 97 P 4.2791 0.0000 0.0000 63.1058 32.0522 175.2997 98 E 4.7958 8.6162 119.6733 54.4413 34.1320 174.9037 99 D 4.4985 8.6034 122.2311 53.7228 42.3220 175.5614 100 P 4.3743 0.0000 0.0000 65.0274 31.5984 178.1960 101 R 4.0292 8.0126 117.6569 58.3065 30.0690 177.8887 102 V 3.6473 7.3338 110.0060 63.9142 31.7101 176.6922 103 L 4.3178 7.3921 119.8359 54.5943 42.0016 176.3223 104 D 4.9770 8.9384 120.9137 53.1493 41.1964 175.3365 105 L 4.4070 7.4968 121.5407 53.8539 45.9278 173.8593 106 V 4.6435 8.7112 126.3260 61.2204 33.8546 174.1958 107 V 4.7402 8.8048 129.1320 61.6968 32.6827 175.0114 108 V 4.1873 8.8979 129.3429 60.4214 33.2783 173.6386 109 P 4.6964 0.0000 0.0000 62.4450 32.5679 175.3475 110 G 3.7794 8.0541 106.0922 44.7185 0.0000 173.8525 111 L 4.2187 8.3600 121.2437 57.5720 41.9333 177.3346 112 A 4.6067 7.0749 117.2609 51.0970 22.6119 175.1127 113 F 5.2349 8.7509 116.8283 55.9110 43.9724 174.3040 114 D 5.5693 8.7748 120.6580 51.2315 41.7971 177.5136 115 R 4.1177 8.6645 116.7145 58.0994 30.1662 177.5322 116 E 4.2075 8.3399 116.3483 56.6957 29.9756 177.3232 117 G 3.9203 8.5349 108.7943 45.0109 0.0000 173.0999 118 Y 4.4839 8.0976 118.1906 57.6459 39.0830 174.9221 119 R 4.4797 8.4488 118.2026 54.0985 32.9204 175.0442 120 L 4.1972 8.3468 123.8185 54.2993 42.7073 175.3082 121 G 4.3580 8.1441 119.0122 44.7410 0.0000 171.8416 122 H 4.5445 8.8288 118.3840 55.7401 28.9747 176.1260 123 G 3.9538 8.2879 107.2484 45.9953 0.0000 174.2848 124 Q 4.0460 8.0120 116.9324 54.8812 29.8582 176.7896 125 G 3.9250 8.1489 106.1288 46.0822 0.0000 175.4193 126 F 4.3721 7.8570 119.3063 60.9729 38.8939 177.0759 127 Y 4.1924 8.1811 115.7964 61.0131 37.5070 177.8664 128 D 4.5492 8.3740 118.6897 57.7468 41.0278 178.7947 129 R 4.1626 8.2827 118.3437 59.1566 30.0772 178.9266 130 F 4.3855 8.6858 120.8329 61.3163 38.9893 177.1805 131 L 4.0603 8.5832 118.4400 57.0275 41.1845 179.2184 132 K 3.8053 7.6309 116.6398 58.0996 32.1437 177.4034 133 E 4.2463 7.7832 115.5010 56.3345 30.3470 176.4427 134 V 4.2337 6.6819 112.8142 60.0404 33.5574 176.2310 135 R 4.5207 8.0842 120.9746 53.7817 29.8768 174.6280 136 A 4.8177 7.6395 120.2669 49.7385 22.9796 175.9837 137 A 4.4012 8.3728 120.4826 52.6959 19.9851 176.9812 138 T 5.3747 9.1721 110.1217 60.0480 73.0114 173.3097 139 V 4.5523 8.6999 121.6580 60.3703 35.1914 173.8279 140 G 3.4621 8.7238 112.7164 44.9647 0.0000 172.6739 141 V 5.0084 7.8190 118.7094 59.5061 33.6961 175.7345 142 V 4.5703 8.4240 122.8591 60.0132 34.9498 171.6487 143 P 4.6285 0.0000 0.0000 62.5270 32.1122 177.4106 144 Q 3.8582 9.2668 120.2831 59.2344 28.7452 179.2836 145 A 4.1337 7.8301 118.5943 54.0772 18.8521 177.5244 146 L 4.4183 7.8187 115.5846 54.2384 43.2589 175.9831 147 L 4.6580 7.7806 120.4727 54.1983 41.8888 176.5134 148 F 5.1844 9.1742 123.6281 54.9954 41.8408 174.2567 149 P 4.3816 0.0000 0.0000 62.1480 31.7676 176.1364 150 A 4.0365 8.3562 121.4239 52.3487 18.2685 177.9688 151 L 4.3354 8.9363 123.9755 53.5243 42.5144 175.5234 152 P 4.1955 0.0000 0.0000 62.7989 31.7604 175.8920 153 R 4.2141 8.2092 122.6365 54.4128 31.8125 174.8424 154 D 4.5198 8.1621 124.1369 51.2841 43.7431 175.4253 155 P 4.2038 0.0000 0.0000 65.0310 31.4205 177.5085 156 W 4.6585 7.3199 112.5928 56.7793 28.8153 176.0939 157 D 4.8063 7.5104 120.3517 54.1353 40.9177 175.8294 158 V 4.4216 8.3817 122.5288 60.3521 33.7024 173.5636 159 P 4.3664 0.0000 0.0000 61.8669 32.3266 176.0903 160 V 4.0637 8.0658 113.7702 61.3766 32.5803 175.8328 161 D 4.8462 8.9242 120.0429 53.6295 40.5807 175.2527 162 H 5.0826 7.9556 114.6218 54.6257 33.8631 172.1950 163 L 4.9689 8.8174 119.7895 52.8048 45.6937 175.4817 164 A 5.0728 8.8575 124.3188 50.4158 22.1665 175.3159 165 T 5.4608 8.7111 112.1918 58.3461 72.3708 174.6087 166 E 4.0292 8.9452 118.0423 58.5939 29.5209 177.5599 167 A 4.1098 7.7514 121.7586 52.1492 19.4111 175.4240 168 G 3.6802 7.1405 101.1606 43.8653 0.0000 172.5621 169 V 4.6440 8.0051 119.0104 61.5360 32.9203 176.0190 170 E 4.7276 8.7950 123.8194 54.3299 33.2319 174.6391 171 A 4.3167 8.4671 122.7996 51.9732 19.6084 176.8698 172 V 4.0283 7.6563 120.0994 61.0969 32.5396 176.2851 173 K 3.7928 8.8130 127.0144 56.7408 32.4619 176.5607 174 R 3.9726 8.4527 123.6294 55.5701 30.6656 174.4874 175 P 4.4625 0.0000 0.0000 62.9962 31.2729 176.1113 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 2 T 8.03 4.37 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 1.25 0.00 0.00 3 K 8.52 3.82 0.00 1.94 1.94 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.59 7.81 4 A 8.87 4.05 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 5 E 8.23 3.98 0.00 2.23 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 2.34 2.37 0.00 6 L 7.90 4.18 0.00 1.98 1.93 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.28 4.00 0.00 2.09 2.03 0.00 3.16 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 8 R 7.91 3.94 0.00 1.87 2.14 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 9 R 8.04 3.96 0.00 1.92 2.22 0.00 2.65 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 A 8.52 4.26 1.42 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 0.00 0.00 11 R 8.42 3.88 0.00 2.13 2.13 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 12 A 7.93 4.07 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 13 A 8.10 4.10 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 14 W 8.52 4.06 0.00 3.25 3.10 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 15 R 7.90 4.27 0.00 2.07 2.16 0.00 3.11 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.69 0.00 16 R 7.68 4.21 0.00 1.92 2.11 0.00 3.02 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 17 L 7.37 4.61 0.00 1.66 1.64 1.12 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 18 D 8.25 4.66 0.00 2.76 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 19 L 8.41 4.11 0.00 1.98 1.75 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.21 3.91 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 21 A 8.29 4.00 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 22 L 8.26 4.00 0.00 1.85 1.78 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.44 4.21 0.00 4.14 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.07 3.94 0.00 2.08 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 25 A 8.13 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.30 3.65 2.14 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 1.03 0.00 0.00 1.02 0.00 0.00 27 G 8.09 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.18 4.17 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 29 A 7.91 4.16 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 30 L 7.96 4.21 0.00 2.02 1.84 1.01 0.55 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 31 L 7.85 3.94 0.00 1.91 1.80 1.14 0.78 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 32 P 0.00 4.25 0.00 2.26 2.13 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 33 W 8.18 4.20 0.00 3.30 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.52 0.00 1.19 0.29 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.69 4.00 0.00 1.77 2.03 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 36 E 8.00 4.03 0.00 2.04 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 2.32 2.35 0.00 37 R 7.59 3.63 0.00 0.67 0.66 0.00 3.14 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.00 38 G 7.66 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 0.00 0.00 0.00 39 F 7.68 4.55 0.00 2.99 2.99 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 40 R 9.98 4.51 0.00 1.68 1.76 0.00 3.03 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 41 H 9.34 5.22 0.00 3.15 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.88 4.90 1.65 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 1.05 0.87 1.08 0.00 0.00 43 L 9.02 5.02 0.00 1.90 1.72 1.09 0.81 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 44 L 8.73 5.25 0.00 1.57 1.31 0.64 1.09 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 45 Y 7.70 4.83 0.00 3.17 3.07 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 46 H 8.84 4.61 0.00 3.12 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.72 0.00 2.23 2.24 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 48 L 8.66 4.66 0.00 1.71 1.58 0.85 1.21 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 49 P 0.00 4.24 0.00 1.82 1.82 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 50 H 8.36 3.11 0.00 2.78 2.16 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.15 4.47 0.00 2.02 1.85 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 2.04 2.22 0.00 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0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 94 T 8.05 4.33 4.21 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 1.19 0.00 0.00 95 T 7.70 3.99 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 96 P 0.00 4.37 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 97 P 0.00 4.28 0.00 2.03 2.00 0.00 3.72 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 1.98 2.02 0.00 98 E 8.62 4.80 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 99 D 8.60 4.50 0.00 2.79 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 0.00 100 P 0.00 4.37 0.00 2.09 2.11 0.00 3.64 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 2.22 2.24 0.00 101 R 8.01 4.03 0.00 1.95 1.91 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 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0.00 3.34 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.45 4.48 0.00 0.67 1.14 0.00 2.78 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.00 120 L 8.35 4.20 0.00 1.62 1.45 0.93 1.15 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 0.00 121 G 8.14 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.83 4.54 0.00 3.28 3.40 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.29 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 0.00 0.00 0.00 124 Q 8.01 4.05 0.00 1.61 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 125 G 8.15 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 0.00 126 F 7.86 4.37 0.00 3.04 2.80 0.00 0.00 0.00 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0.00 0.00 0.00 0.25 0.00 0.00 0.91 0.00 0.00 135 R 8.08 4.52 0.00 1.73 1.83 0.00 3.34 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 136 A 7.64 4.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.37 4.40 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 0.00 138 T 9.17 5.37 4.31 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 1.33 0.00 0.00 139 V 8.70 4.55 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 0.95 0.00 0.00 0.72 0.00 0.00 140 G 8.72 3.46 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 0.00 141 V 7.82 5.01 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 0.78 0.00 0.00 1.14 0.00 0.00 142 V 8.42 4.57 2.32 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 0.56 0.00 0.00 0.94 0.00 0.00 143 P 0.00 4.63 0.00 1.78 1.77 0.00 3.11 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.88 0.00 144 Q 9.27 3.86 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 145 A 7.83 4.13 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 0.00 146 L 7.82 4.42 0.00 1.35 1.31 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.78 4.66 0.00 1.74 1.68 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 148 F 9.17 5.18 0.00 2.91 2.88 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 0.00 149 P 0.00 4.38 0.00 2.02 1.98 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 150 A 8.36 4.04 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 0.00 151 L 8.94 4.34 0.00 1.64 1.62 0.96 1.16 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 0.00 152 P 0.00 4.20 0.00 1.98 1.94 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 153 R 8.21 4.21 0.00 1.41 1.56 0.00 2.30 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.30 0.00 154 D 8.16 4.52 0.00 1.58 1.54 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 0.00 155 P 0.00 4.20 0.00 2.18 2.14 0.00 3.11 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 156 W 7.32 4.66 0.00 3.40 3.36 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 0.00 157 D 7.51 4.81 0.00 2.78 2.85 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 0.00 158 V 8.38 4.42 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 0.86 0.00 0.00 1.16 0.00 0.00 159 P 0.00 4.37 0.00 1.82 0.49 0.00 3.74 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 1.76 1.65 0.00 160 V 8.07 4.06 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 0.75 0.00 0.00 0.94 0.00 0.00 161 D 8.92 4.85 0.00 2.59 2.81 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 0.00 162 H 7.96 5.08 0.00 2.98 2.73 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.82 4.97 0.00 1.34 1.27 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.86 5.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.71 5.46 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 166 E 8.95 4.03 0.00 2.09 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 2.25 2.23 0.00 167 A 7.75 4.11 1.27 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 0.00 0.00 168 G 7.14 3.68 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 0.00 0.00 0.00 169 V 8.01 4.64 1.71 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 -0.18 0.00 0.00 0.86 0.00 0.00 170 E 8.80 4.73 0.00 1.90 1.86 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 2.21 2.13 0.00 171 A 8.47 4.32 1.19 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 0.00 0.00 0.00 0.00 0.00 172 V 7.66 4.03 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 0.79 0.00 0.00 0.85 0.00 0.00 173 K 8.81 3.79 0.00 1.78 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.44 7.81 174 R 8.45 3.97 0.00 1.77 1.84 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 175 P 0.00 4.46 0.00 2.11 2.02 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.