NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2383 8.2549 121.0391 56.1659 30.9625 174.6061 3 F 4.5439 8.4049 126.4206 55.8523 40.4637 176.3144 4 R 4.0128 9.0674 123.6148 59.1865 31.4127 175.8502 5 D 5.1655 7.7655 114.4228 51.7475 41.9299 175.9169 6 R 4.1836 8.5988 117.0923 59.5264 29.8193 179.3804 7 R 3.9978 8.1083 117.7714 59.2963 30.2744 178.2666 8 H 4.2712 8.9109 118.0124 59.3968 29.9174 177.2675 9 A 3.7225 8.0759 122.3691 54.8480 18.0442 179.8622 10 G 3.5085 8.1690 104.1982 47.6810 0.0000 175.9177 11 A 4.0255 8.1088 123.0581 55.1481 18.5275 179.8125 12 L 4.0162 7.8385 117.1622 57.7107 41.6884 179.6082 13 L 3.9298 8.1431 120.3415 58.0307 42.0685 178.8191 14 A 4.0258 8.1602 120.7941 55.2337 18.0450 179.5120 15 E 3.9409 7.9859 115.9381 59.4703 29.6196 179.1561 16 A 4.1417 7.7854 119.7752 54.6003 18.7277 179.0532 17 L 4.1899 7.8450 116.9705 56.7502 41.7987 178.7502 18 A 4.0174 7.8883 121.2179 55.1040 18.0350 177.9141 19 P 4.3979 0.0000 0.0000 64.9954 31.5349 178.3657 20 L 4.1906 7.8465 117.2793 55.4154 41.4576 177.4948 21 G 3.8745 7.5925 105.1754 46.2352 0.0000 173.9530 22 L 4.2215 7.9462 118.5056 54.2588 42.2690 176.4860 23 E 4.3595 9.2766 122.1354 55.7641 31.5263 176.8886 24 A 3.7723 8.6506 128.3714 52.3872 16.1417 174.2009 25 P 4.6195 0.0000 0.0000 62.3406 33.8259 177.5186 26 V 4.3167 8.6955 122.4146 61.8093 33.0926 174.8967 27 V 4.4135 8.6315 129.9234 61.6511 32.8529 174.4084 28 L 4.8875 9.0817 129.7254 53.2537 43.5400 175.9056 29 G 4.3481 8.5142 111.6415 44.3164 0.0000 172.5776 30 L 4.6233 8.6388 124.5522 53.3045 42.9925 175.1945 31 P 4.4111 0.0000 0.0000 62.8921 32.3679 176.5680 32 R 4.5515 8.5439 119.9496 57.7962 32.0432 178.8748 33 G 3.6683 8.0501 104.9828 47.7382 0.0000 175.6748 34 G 3.7924 7.9898 108.5113 46.9719 0.0000 175.7683 35 V 3.5158 7.7729 120.5355 65.5720 31.5439 178.3967 36 V 3.5256 7.6338 118.1177 65.9064 31.4217 178.1869 37 V 3.5645 7.7093 117.2905 65.9204 31.3713 177.5898 38 A 3.9141 8.2023 120.7847 55.1545 18.2188 179.0673 39 D 4.1999 8.3257 116.8107 57.4833 41.3090 178.1273 40 E 3.9998 8.1023 119.3958 59.1466 29.5449 178.9623 41 V 3.5288 7.8586 118.1032 65.9923 31.5609 177.7548 42 A 3.9211 8.2530 120.8823 55.4284 17.9105 179.8923 43 R 4.0932 8.0738 115.4818 59.4351 30.2148 179.1467 44 R 4.1752 7.9957 117.1978 58.4154 30.2783 177.9731 45 L 4.4652 8.1519 116.4749 53.7608 42.0975 176.7754 46 G 3.9149 8.1356 106.6560 46.6913 0.0000 173.7980 47 G 4.2637 8.0830 109.6437 44.3200 0.0000 172.6345 48 E 4.5775 8.4996 120.5449 54.1248 32.2901 175.8721 49 L 4.4001 6.0663 128.5395 54.0257 43.5201 174.5763 50 D 4.6171 8.3310 123.9566 53.5101 45.4580 173.6022 51 V 4.9496 8.2045 120.1039 59.7118 33.9642 175.2933 52 V 4.2890 8.0067 121.9832 60.1433 33.2824 175.1623 53 L 4.6998 8.5095 125.1092 53.2596 43.6509 175.6587 54 V 5.0488 8.0660 115.5985 60.1646 36.4013 174.4927 55 R 4.7046 8.7036 119.5131 54.4423 34.5093 174.8520 56 K 4.3806 8.6736 123.6611 56.0888 33.6272 176.3243 57 V 4.1536 8.5748 127.1272 61.2963 32.7059 175.4261 58 G 4.3180 8.8105 115.6732 45.2799 0.0000 172.0499 59 A 4.6165 8.8029 122.2657 50.3081 20.2317 175.6497 60 P 4.0740 0.0000 0.0000 63.8421 31.5095 178.0574 61 G 4.0387 9.0136 110.3215 46.1460 0.0000 173.2694 62 N 4.9866 7.7296 118.1032 50.3114 38.7767 172.3503 63 P 4.3643 0.0000 0.0000 65.4260 31.7315 178.6507 64 E 4.0295 8.2287 116.5612 57.7507 29.7512 176.1192 65 F 4.7300 8.2154 122.3825 56.1419 39.8506 174.4910 66 A 4.4154 8.0753 131.7648 51.9133 18.8348 176.7005 67 L 4.4205 8.5802 121.9451 53.7390 43.7907 177.1354 68 G 3.8312 7.1101 104.4325 46.6021 0.0000 171.1540 69 A 4.9904 7.8891 119.7735 51.1355 23.3759 176.3638 70 V 4.7732 8.7003 112.5484 59.6096 35.3918 176.0641 71 G 4.2561 8.4000 111.6146 44.2798 0.0000 174.4703 72 E 4.0056 8.5686 117.5300 58.9608 29.4164 178.5384 73 G 3.6662 7.4018 107.2201 46.1917 0.0000 174.3602 74 G 3.9881 8.2226 109.3520 44.9107 0.0000 174.2201 75 E 3.9746 7.9661 118.0296 56.3051 30.1234 175.1308 76 L 4.9202 8.3284 123.6705 53.5298 43.8255 175.3162 77 V 4.2189 8.9978 127.1190 61.2218 33.1719 173.3602 78 L 4.8474 8.2809 132.6631 54.0999 43.2079 175.9716 *80 P 4.3278 0.0000 0.0000 63.1236 33.3915 176.6184 81 Y 4.6754 6.7441 113.6708 56.5307 39.0201 176.8035 82 A 4.1180 7.9652 123.8882 55.9803 18.1487 179.6946 83 L 4.7699 7.8170 115.3439 56.4730 41.8497 178.8333 84 R 4.2385 8.1463 117.1493 57.3083 30.4004 176.2943 85 Y 4.5721 7.9700 114.2592 57.8728 40.2608 175.0596 86 A 4.5379 7.6100 121.1116 50.0306 22.3291 174.9526 87 D 5.0774 8.3361 119.7690 52.3773 42.3772 177.3919 88 Q 4.0328 8.5671 120.9546 59.4243 29.0703 178.5511 89 S 4.1343 8.1966 114.9761 61.5359 62.9249 175.9461 90 Y 3.9738 8.3490 122.5264 60.5324 38.6780 177.5995 91 L 3.9639 7.9327 119.3841 58.1391 41.8214 179.5757 92 E 3.9383 8.2658 118.3321 59.1996 29.4832 179.6681 93 R 3.8086 7.8000 118.1976 59.1486 30.1597 178.6525 94 E 3.6948 8.0614 119.2321 59.0678 29.5665 178.5782 95 A 3.9049 8.0117 120.6411 55.1589 18.3826 179.4562 96 A 3.9182 7.8328 118.9157 55.3938 17.9454 180.1137 97 R 4.0049 7.8382 116.2350 59.5409 29.9114 179.3654 98 Q 4.0340 8.1297 117.8950 58.7725 28.6546 178.8194 99 R 3.9120 8.1058 119.3431 59.2882 29.8294 178.7570 100 D 4.3282 7.6895 117.5424 57.3730 40.8788 178.7800 101 V 3.6718 7.3800 117.0805 65.2029 31.7656 177.0423 102 L 4.2457 7.4760 119.4970 56.5906 42.3020 177.7949 103 R 3.7883 7.9643 118.8904 59.8498 29.9592 178.4119 104 K 3.8949 7.8513 117.0906 59.4382 32.1820 179.2616 105 R 3.5268 7.7811 118.1973 59.2178 29.9756 178.2532 106 A 3.9038 7.8417 120.5666 55.0421 18.2126 179.4923 107 E 3.9050 8.1476 117.4199 59.5525 29.2548 179.8173 108 R 4.0077 7.8543 116.0280 59.4344 29.5838 178.5687 109 Y 4.3519 7.9734 117.5370 61.0591 37.7144 178.4388 110 R 4.5488 8.1023 118.8392 58.1521 30.1895 178.6611 111 R 4.0600 7.6775 118.1179 58.6784 30.1391 177.8802 112 V 4.3650 7.1873 110.2798 60.9787 32.4468 176.2153 113 R 4.3949 7.7142 119.5030 54.4058 32.1410 172.4515 114 P 4.4678 0.0000 0.0000 61.9619 32.0440 176.1186 115 K 4.0059 8.5369 121.1996 56.7136 32.4442 176.4848 116 A 4.2295 8.6698 129.4580 51.2741 19.1905 177.0128 117 A 4.2218 8.3768 123.7325 52.5213 19.3018 177.9115 118 R 4.4745 8.3061 117.3572 55.9955 32.8865 176.1253 119 K 4.2050 8.2428 118.6303 57.9866 32.2496 176.0730 120 G 3.9817 9.4202 114.0772 46.3461 0.0000 172.8895 121 R 4.7892 7.6352 117.4715 53.7069 34.4578 174.5765 122 D 5.0167 8.5126 120.5587 54.2027 42.2950 175.5872 123 V 4.8024 9.1013 123.6602 60.9652 34.7323 174.1110 124 V 4.7155 8.6016 127.6372 61.1405 34.0481 173.9342 125 L 4.9859 8.8870 128.7105 53.3872 43.4252 175.8580 126 V 5.2002 8.8380 123.3250 60.2648 35.1510 173.5781 127 D 5.1430 8.3071 124.0492 52.8210 44.7004 175.4285 128 D 4.4390 9.0613 120.9786 54.4695 39.8992 176.1270 129 G 4.0579 6.8199 108.0634 45.7030 0.0000 173.4648 130 V 4.1736 7.9285 118.7695 61.0133 33.0710 175.9569 131 A 3.6336 8.8546 130.9608 54.5189 18.7602 178.1377 132 T 4.3143 8.0357 102.6493 60.8086 70.7950 175.1794 133 G 3.8628 8.4456 108.2456 44.8511 0.0000 173.7378 134 A 4.1405 7.8989 123.1565 55.6331 18.5198 182.3794 135 S 4.5508 7.8642 110.0239 58.9181 62.4294 176.4601 *137 E 4.1900 8.3812 121.7500 56.4541 31.5978 178.2937 138 A 3.9383 7.8900 119.7596 54.9694 18.2639 179.4980 139 A 3.8902 8.1322 119.3747 55.2344 18.3654 179.8317 140 L 3.4937 7.7057 116.8849 57.9385 41.5195 179.6033 141 S 4.2130 7.8596 113.7633 61.7052 63.0291 176.8993 142 V 3.7067 7.6183 120.2211 66.0346 31.3080 178.1708 143 V 3.9062 7.7168 119.4654 65.5722 31.4256 177.9267 144 F 4.5720 8.3480 117.7237 60.6101 38.5325 176.8583 145 Q 4.3765 7.8926 114.6804 56.8495 28.8076 176.2302 146 E 4.3895 8.3247 120.2498 55.4595 29.9621 176.3018 147 G 3.8878 7.7469 106.6978 45.9466 0.0000 172.6508 148 P 4.9072 0.0000 0.0000 62.0104 32.4590 176.2164 149 R 4.1335 8.5743 121.0050 59.4858 30.7023 176.7087 150 R 4.7705 7.7097 116.6981 55.0622 33.7362 173.7980 151 V 4.9416 8.4440 123.9331 61.1194 34.5738 174.6598 152 V 4.5563 8.7347 126.9898 61.1195 34.9315 174.0406 153 V 4.5571 8.7791 128.1752 61.7319 33.2661 174.3007 154 A 5.1982 9.2250 129.8437 50.2841 21.9393 175.0888 155 V 4.6039 8.8862 115.4821 59.2297 36.0389 174.8096 156 P 4.3524 0.0000 0.0000 65.2124 32.3657 176.7030 157 V 4.9381 7.7136 116.9706 60.3181 35.0855 173.9347 158 A 4.9628 8.7916 123.2433 50.6171 23.1491 175.7339 159 S 4.2153 7.7281 114.1516 57.0427 64.5876 173.6565 160 P 4.1963 0.0000 0.0000 65.8823 31.0795 178.7374 161 E 3.8802 8.0966 116.4358 59.4217 29.4857 179.0451 162 A 3.9111 7.8206 120.5900 55.1209 18.3331 179.6863 163 V 3.4827 7.6680 116.6451 66.1910 31.4434 177.7750 164 E 3.8785 8.0599 118.8140 59.4161 29.2382 178.9663 165 R 3.9456 7.6831 116.7969 59.2769 30.3870 178.8029 166 L 4.1721 8.0444 118.6814 57.6017 41.5619 179.3666 167 K 4.4281 8.9047 119.8449 58.6319 32.1190 178.2770 168 A 4.1831 7.7648 119.9987 54.0171 18.3442 178.0120 169 R 4.4803 8.0799 114.4544 56.4792 32.5226 175.2949 170 A 4.6187 7.4086 118.6548 50.6028 22.1596 174.4368 171 E 4.2068 8.6582 120.8466 56.4555 30.7953 175.6190 172 V 4.8005 8.3784 125.7828 61.0267 34.6218 174.6507 173 V 4.3795 9.3396 127.4867 61.1874 33.6748 173.7792 174 A 5.7325 8.2872 129.2633 49.1600 20.7060 175.8144 175 L 4.2161 8.8221 122.8144 57.4721 42.7926 177.7327 176 S 4.5038 8.1529 112.9066 56.7147 66.0889 173.9692 177 V 5.5688 8.3121 124.7707 58.7642 31.5482 171.7369 178 P 4.3779 0.0000 0.0000 62.2992 31.9101 178.5740 179 Q 4.1999 8.8998 122.4551 57.8943 28.8955 176.3748 180 D 5.0174 7.7493 117.4318 51.8146 39.9007 176.0178 181 F 3.9821 7.9840 120.6573 60.2449 39.6160 172.9498 182 A 4.0655 7.8023 132.0644 52.4613 19.2311 176.5695 183 A 4.5351 7.0880 115.1307 49.0163 23.5514 177.8206 184 V 3.8774 8.9298 120.3953 66.2214 31.6494 178.9225 185 G 2.3407 7.6701 107.3454 47.4846 0.0000 174.9453 186 A 3.7341 7.3987 121.9153 54.3228 18.5209 177.6452 187 Y 4.4535 7.8824 113.0084 57.6192 38.1334 174.4208 188 Y 5.2952 7.4876 117.9355 55.9919 41.0544 175.5748 189 L 4.0094 9.4720 127.6479 57.3372 42.3582 176.1652 190 D 4.8995 8.2913 119.4443 52.7551 41.5117 175.6859 191 F 4.9730 8.5316 132.8132 57.1860 39.9406 175.6408 192 G 3.7547 8.2046 108.1177 44.9071 0.0000 173.5237 193 E 3.7627 8.4262 121.1514 55.7890 30.1608 176.5220 194 V 4.2656 7.9794 125.2880 61.0610 32.7999 175.8357 195 T 4.3394 8.7102 118.9393 60.9420 71.1045 175.1799 196 D 4.5138 8.5742 120.8382 57.7258 40.7683 178.9897 197 E 4.0113 8.1720 118.6140 59.4099 29.5327 178.9519 198 D 4.3330 8.0801 119.1497 57.2568 40.7719 178.9564 199 V 3.4707 7.9579 118.8801 65.9286 31.4984 177.9351 200 E 3.8356 8.4795 118.4796 59.2618 29.0597 179.1503 201 A 4.0052 7.9058 119.8655 55.1920 18.3935 179.5255 202 I 3.8696 7.6849 118.1313 64.6468 37.2651 178.6872 203 L 4.1210 8.1798 120.0652 57.8147 41.2609 179.5023 204 L 4.0535 8.1115 118.9830 57.9211 41.3503 179.2573 205 E 3.9955 7.8696 116.6532 57.8869 29.3616 177.6316 206 W 4.5015 7.8060 116.9412 56.1783 29.6644 175.8967 207 A 4.5073 7.5831 122.2293 50.7095 19.4217 178.1373 208 G 3.7553 8.4513 107.1730 46.0028 0.0000 173.9164 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 R 8.25 4.24 0.00 1.70 1.82 0.00 3.16 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 3 F 8.40 4.54 0.00 2.85 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 4 R 9.07 4.01 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 5 D 7.77 5.17 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.60 4.18 0.00 1.86 2.00 0.00 2.97 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 7 R 8.11 4.00 0.00 2.05 2.03 0.00 3.38 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 8 H 8.91 4.27 0.00 3.37 3.66 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.08 3.72 0.71 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 0.00 0.00 10 G 8.17 3.51 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 0.00 11 A 8.11 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.84 4.02 0.00 1.91 1.79 1.04 0.40 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 13 L 8.14 3.93 0.00 1.87 1.77 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.16 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.99 3.94 0.00 2.19 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 0.00 2.36 2.34 0.00 16 A 7.79 4.14 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 17 L 7.84 4.19 0.00 1.89 1.71 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.89 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.40 0.00 2.04 2.13 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 20 L 7.85 4.19 0.00 1.74 1.73 0.98 0.72 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 21 G 7.59 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 0.00 0.00 0.00 22 L 7.95 4.22 0.00 1.65 1.61 0.91 0.91 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 23 E 9.28 4.36 0.00 1.89 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 2.24 2.35 0.00 24 A 8.65 3.77 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 25 P 0.00 4.62 0.00 2.09 2.17 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 26 V 8.70 4.32 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 0.89 0.00 0.00 0.92 0.00 0.00 27 V 8.63 4.41 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 0.79 0.00 0.00 0.83 0.00 0.00 28 L 9.08 4.89 0.00 1.50 1.49 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.51 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.64 4.62 0.00 1.64 1.59 0.96 1.17 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 31 P 0.00 4.41 0.00 2.11 2.16 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 32 R 8.54 4.55 0.00 1.79 1.90 0.00 3.12 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 33 G 8.05 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.99 3.79 0.00 0.00 0.00 0.00 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1.87 2.02 0.00 3.32 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 111 R 7.68 4.06 0.00 1.93 2.17 0.00 3.26 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 112 V 7.19 4.36 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 0.82 0.00 0.00 1.07 0.00 0.00 113 R 7.71 4.39 0.00 2.02 1.78 0.00 3.15 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 114 P 0.00 4.47 0.00 2.23 2.06 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 115 K 8.54 4.01 0.00 1.74 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 116 A 8.67 4.23 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 0.00 117 A 8.38 4.22 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 0.00 118 R 8.31 4.47 0.00 1.82 1.89 0.00 3.18 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 119 K 8.24 4.21 0.00 1.71 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.47 7.81 120 G 9.42 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 0.00 0.00 0.00 121 R 7.64 4.79 0.00 1.86 1.79 0.00 3.12 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 122 D 8.51 5.02 0.00 2.59 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 0.00 123 V 9.10 4.80 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 0.98 0.00 0.00 0.90 0.00 0.00 124 V 8.60 4.72 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 0.74 0.00 0.00 0.90 0.00 0.00 125 L 8.89 4.99 0.00 1.52 1.49 0.74 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.84 5.20 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 1.39 0.00 0.00 0.88 0.00 0.00 127 D 8.31 5.14 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.06 4.44 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 6.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.93 4.17 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 0.93 0.00 0.00 0.92 0.00 0.00 131 A 8.85 3.63 1.50 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 0.00 132 T 8.04 4.31 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 0.00 133 G 8.45 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 0.00 0.00 0.00 134 A 7.90 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.86 4.55 0.00 3.90 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 *137 E 8.38 4.19 0.00 2.20 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 2.30 2.53 0.00 138 A 7.89 3.94 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 0.00 139 A 8.13 3.89 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 0.00 140 L 7.71 3.49 0.00 1.80 1.48 0.91 0.52 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 0.00 141 S 7.86 4.21 0.00 3.98 3.94 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 0.00 142 V 7.62 3.71 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 0.97 0.00 0.00 0.94 0.00 0.00 143 V 7.72 3.91 1.84 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 1.22 0.00 0.00 0.91 0.00 0.00 144 F 8.35 4.57 0.00 3.19 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 0.00 145 Q 7.89 4.38 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 146 E 8.32 4.39 0.00 2.16 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 2.47 0.00 147 G 7.75 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 0.00 148 P 0.00 4.91 0.00 2.22 2.07 0.00 3.88 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 2.11 2.01 0.00 149 R 8.57 4.13 0.00 1.91 2.11 0.00 3.29 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 150 R 7.71 4.77 0.00 1.91 1.86 0.00 3.18 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 151 V 8.44 4.94 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 0.61 0.00 0.00 0.98 0.00 0.00 152 V 8.73 4.56 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 0.91 0.00 0.00 0.93 0.00 0.00 153 V 8.78 4.56 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 0.84 0.00 0.00 0.88 0.00 0.00 154 A 9.23 5.20 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 0.00 155 V 8.89 4.60 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 0.68 0.00 0.00 0.91 0.00 0.00 156 P 0.00 4.35 0.00 2.04 1.25 0.00 3.64 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 2.06 1.92 0.00 157 V 7.71 4.94 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 0.94 0.00 0.00 0.51 0.00 0.00 158 A 8.79 4.96 1.12 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 0.00 0.00 159 S 7.73 4.22 0.00 3.78 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 0.00 160 P 0.00 4.20 0.00 2.16 2.14 0.00 3.59 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 2.18 2.19 0.00 161 E 8.10 3.88 0.00 2.00 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 2.40 2.43 0.00 162 A 7.82 3.91 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 0.00 163 V 7.67 3.48 2.20 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 0.97 0.00 0.00 0.94 0.00 0.00 164 E 8.06 3.88 0.00 2.09 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 2.31 2.36 0.00 165 R 7.68 3.95 0.00 1.99 2.14 0.00 3.38 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 166 L 8.04 4.17 0.00 1.69 1.70 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.90 4.43 0.00 1.85 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.33 7.81 168 A 7.76 4.18 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 0.00 169 R 8.08 4.48 0.00 1.86 2.18 0.00 3.29 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 170 A 7.41 4.62 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 0.00 171 E 8.66 4.21 0.00 2.09 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 2.38 2.32 0.00 172 V 8.38 4.80 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 0.83 0.00 0.00 0.98 0.00 0.00 173 V 9.34 4.38 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 174 A 8.29 5.73 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 0.00 175 L 8.82 4.22 0.00 1.96 1.86 0.97 0.85 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 0.00 176 S 8.15 4.50 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 5.57 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 0.77 0.00 0.00 0.90 0.00 0.00 178 P 0.00 4.38 0.00 2.39 2.21 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.65 0.00 179 Q 8.90 4.20 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.55 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 180 D 7.75 5.02 0.00 2.78 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 0.00 181 F 7.98 3.98 0.00 3.21 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 0.00 182 A 7.80 4.07 0.96 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 0.00 0.00 0.00 0.00 0.00 183 A 7.09 4.54 1.11 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 0.00 0.00 184 V 8.93 3.88 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 1.24 0.00 0.00 1.26 0.00 0.00 185 G 7.67 2.34 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 0.00 186 A 7.40 3.73 0.78 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 0.00 0.00 187 Y 7.88 4.45 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 0.00 188 Y 7.49 5.30 0.00 2.93 3.19 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 0.00 189 L 9.47 4.01 0.00 1.60 2.01 0.95 1.25 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 0.00 190 D 8.29 4.90 0.00 2.73 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 0.00 191 F 8.53 4.97 0.00 2.96 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 0.00 192 G 8.20 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 0.00 0.00 0.00 193 E 8.43 3.76 0.00 1.85 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 0.00 2.26 2.31 0.00 194 V 7.98 4.27 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 0.91 0.00 0.00 0.80 0.00 0.00 195 T 8.71 4.34 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 0.00 196 D 8.57 4.51 0.00 2.77 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 0.00 197 E 8.17 4.01 0.00 2.02 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 2.42 2.42 0.00 198 D 8.08 4.33 0.00 2.91 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 0.00 199 V 7.96 3.47 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 0.42 0.00 0.00 0.92 0.00 0.00 200 E 8.48 3.84 0.00 2.22 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 2.45 2.62 0.00 201 A 7.91 4.01 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 0.00 202 I 7.68 3.87 2.00 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 1.55 0.97 1.04 0.00 0.00 203 L 8.18 4.12 0.00 1.77 1.71 0.51 0.74 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 0.00 204 L 8.11 4.05 0.00 1.89 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 205 E 7.87 4.00 0.00 1.91 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 2.27 2.38 0.00 206 W 7.81 4.50 0.00 3.37 3.24 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 0.00 207 A 7.58 4.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 G 8.45 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.