NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6110 8.3493 120.1989 54.8190 41.2771 175.1726 5 T 4.3712 8.1167 114.8495 60.8398 69.5227 174.4619 6 A 3.7397 8.4444 126.7693 55.6203 18.7471 180.6432 7 A 3.9157 8.3060 118.9434 55.1121 18.4188 179.6480 8 L 3.9602 7.9475 118.1573 58.2574 42.3473 178.8314 9 A 3.1261 7.4644 120.3924 54.7282 17.9621 179.4443 10 A 3.7833 7.6489 119.2239 55.2654 18.3710 179.3260 11 D 4.3542 8.2549 116.6160 57.5093 41.3307 178.5161 12 I 3.0602 7.6427 120.2528 64.1836 37.0175 178.5738 13 V 3.5740 7.5288 118.8725 66.1874 31.3897 177.8128 14 D 4.4172 8.4290 118.8479 57.1451 40.6310 178.3665 15 F 4.2370 8.8018 121.6938 61.2260 39.4258 177.1204 16 W 4.1523 8.5730 127.7657 60.3164 30.3378 177.7078 17 K 4.1627 8.6731 118.6628 59.8759 31.7180 178.5765 18 K 4.0490 8.0146 116.9799 58.9949 31.9807 178.9471 19 A 3.7490 7.4823 120.6027 54.0407 18.7001 178.8872 20 G 2.8447 7.5810 105.5333 43.3339 0.0000 172.4000 21 P 3.4942 0.0000 0.0000 64.2258 31.1391 177.0155 22 D 4.3794 7.3172 117.4518 54.4773 39.8640 176.7390 23 K 3.9580 7.2829 119.1965 56.5972 34.2884 178.2858 24 W 3.7702 7.0907 117.5759 58.7591 28.8270 176.5839 25 F 5.0261 7.6634 113.1589 57.0882 39.5078 174.6368 26 D 4.7154 7.7167 120.8054 53.4857 41.8974 176.4068 27 K 4.4350 8.3108 121.9066 54.1079 32.0948 174.3386 28 D 4.8500 8.2180 120.7472 51.8377 43.4175 175.3437 29 A 4.0526 8.6964 129.8259 55.1086 18.4662 178.8329 30 A 3.9678 8.3232 119.4803 55.3313 18.4203 179.6578 31 F 4.3006 8.4691 118.7206 61.5446 39.4774 176.8830 32 D 4.3666 8.4778 118.6247 57.4625 40.6155 178.3157 33 N 4.2760 8.4723 117.7552 56.7555 38.9289 176.4352 34 H 4.1894 8.3238 119.6688 59.2517 30.0801 176.8772 35 F 4.0821 8.3274 122.8366 61.5969 39.1277 176.5527 36 H 4.0574 8.4210 117.9253 59.5480 29.5124 177.0645 37 D 4.3693 8.3052 119.6606 57.1801 40.6474 178.5425 38 R 3.7220 7.7815 118.6086 58.3722 30.2167 177.0714 39 F 5.0151 7.7699 114.2793 56.8179 40.4748 176.7395 40 R 3.7698 8.3593 123.0517 59.9463 29.6356 178.1842 41 D 4.3950 8.0962 117.5933 57.1871 40.7682 178.4059 42 A 3.9020 7.9788 120.8718 55.2988 18.4200 178.7876 43 H 3.6037 8.0162 116.9331 59.5123 29.7775 177.5259 44 F 3.7818 8.1861 119.0864 60.1662 38.7228 177.5157 45 A 4.0382 8.2738 120.4776 55.1744 18.1965 179.5347 46 A 3.7079 8.0347 119.2831 55.2219 18.2198 179.7357 47 A 3.9411 7.6800 117.9330 54.4406 18.4587 179.0016 48 R 4.2288 7.6736 114.6415 55.4731 30.4684 176.4728 49 R 4.1605 7.5971 116.0758 57.3032 27.7600 176.9984 50 E 4.2871 8.1135 117.2425 57.1283 30.1987 177.3263 51 L 4.2493 7.2435 118.4257 54.0287 42.0593 178.0975 52 D 4.2124 8.1415 122.0095 57.1424 40.6307 178.4693 53 G 3.7881 8.0496 105.6793 47.1511 0.0000 175.2099 54 W 4.4401 8.3801 120.8764 58.9310 28.7507 177.9931 55 L 4.3875 7.6906 119.8414 56.6938 41.0426 178.6359 56 E 4.3039 8.2547 117.9351 57.1526 29.8641 176.8709 57 G 4.1141 7.2713 106.9712 42.7683 0.0000 173.7742 58 A 3.6706 8.3800 122.7936 55.1310 18.4794 180.2393 59 E 3.8890 8.0312 116.8256 59.5172 29.5767 179.6756 60 S 3.6140 7.7705 113.8156 61.2686 62.9785 176.6261 61 S 4.1919 8.3070 119.0764 61.1663 62.3477 176.1287 62 L 3.2604 8.0563 122.2107 57.9703 41.9674 178.4878 63 A 3.9983 7.9495 120.7273 55.0138 18.1618 180.3413 64 L 4.1801 7.8506 115.3149 55.5117 41.8909 179.3113 *66 L 3.7455 7.9343 121.1299 54.6732 43.5073 179.4056 67 L 4.0086 8.1252 117.8979 56.8485 41.6394 177.8827 68 L 4.5345 7.9650 116.5500 54.7725 43.1421 176.4238 69 D 4.7919 8.0522 116.4433 55.8694 43.2472 177.8758 70 Q 4.1266 7.9635 117.3355 58.6507 29.0531 177.5198 71 F 3.2348 8.3800 122.0965 61.0536 39.2422 175.5945 72 P 3.8594 0.0000 0.0000 65.5198 30.9327 178.6753 73 R 4.0094 7.7956 115.7100 58.4232 30.0493 178.0143 74 N 4.6727 7.7753 115.0856 54.8917 39.2707 175.9812 75 C 4.3967 7.3901 115.1542 58.9340 30.0601 174.4350 76 F 5.2089 7.5340 119.7730 56.6771 39.4100 175.3581 77 R 3.9055 8.0587 119.0825 58.0580 30.2486 177.1927 78 G 3.9665 9.0022 109.1950 45.9289 0.0000 172.8972 79 T 4.6847 7.2255 106.4725 59.0426 71.7453 174.2130 80 A 4.1539 8.4641 124.5522 55.0741 19.1511 178.6694 81 H 4.2865 7.5413 115.7154 56.0432 26.9905 176.2832 *83 Y 5.2954 7.8573 115.1206 57.5449 40.1933 177.8115 84 A 4.0474 7.8981 123.4135 54.7019 18.6831 178.5490 85 T 4.4845 7.7667 103.5329 61.6936 69.4986 175.9527 86 D 4.3795 8.1864 124.5939 57.4988 40.7358 176.7989 87 P 4.2458 0.0000 0.0000 65.4457 31.2659 178.4075 88 L 3.6566 7.7724 118.3996 57.9496 42.0484 178.6081 89 A 4.0341 8.2546 121.1305 55.2371 18.2159 179.6449 90 R 3.4972 8.2540 117.4571 59.1763 30.2657 178.2183 91 F 4.1327 8.3148 120.6328 61.7061 39.3313 177.2784 92 F 4.5061 8.4431 117.0815 60.4530 38.5816 177.6100 93 A 4.2670 8.6554 121.0287 55.2125 18.1360 178.9728 94 D 4.5023 8.6316 116.9928 57.7308 41.2333 178.3294 95 E 3.8228 8.0840 119.0551 59.1418 29.6540 178.5386 96 A 3.9932 8.5257 121.2999 55.2685 18.4778 179.7308 97 I 3.8429 8.0788 119.8981 63.9277 36.9640 178.3981 98 R 3.8752 7.9280 118.6544 59.6280 29.9635 178.0728 99 R 4.1145 7.9020 114.6921 56.3564 30.3606 177.5696 100 G 3.8941 7.9779 107.9961 46.1632 0.0000 175.3292 101 H 4.1886 7.9334 118.8238 58.5084 27.9973 177.2514 102 D 3.6586 7.4026 120.5427 56.4747 38.9182 178.4520 103 Q 4.1286 7.6329 117.1944 57.5782 28.8811 177.6763 104 A 4.1844 7.5181 120.9385 52.7748 18.8910 177.5584 105 V 4.4704 6.6354 110.3181 59.1288 34.4233 176.5350 106 S 4.4272 8.3490 117.2175 58.3617 64.7192 175.1650 107 E 4.0713 8.8407 122.0607 59.8207 28.9452 179.2408 108 D 4.6939 8.3385 117.7435 57.0035 41.3144 177.8255 109 L 4.7472 7.5163 114.5576 55.2368 42.7823 178.5386 110 R 4.0244 8.0037 119.5812 59.3637 29.8051 178.6058 111 V 3.2246 7.3688 118.2818 64.4837 30.8121 178.1208 112 F 3.9073 7.0738 117.1875 59.7999 38.6988 177.0518 113 F 4.3491 7.6273 116.4715 59.5246 38.9926 176.0854 114 Y 5.2556 7.8658 116.0842 59.2854 39.0448 177.6308 115 L 3.9460 7.9883 119.6366 57.5049 41.4159 177.3784 116 P 4.4404 0.0000 0.0000 64.9955 31.3165 178.2288 117 F 4.3959 7.8319 116.4336 60.6354 38.6339 177.9673 118 S 4.3419 8.1685 113.3077 61.3232 62.8016 175.3541 119 H 4.7417 8.1003 116.7271 55.5107 29.1461 175.1561 120 A 4.4370 7.3723 125.1033 51.6771 19.4865 178.4713 121 E 4.2298 8.5686 124.1491 54.1067 28.3009 175.7220 122 D 4.4031 7.4894 117.5373 52.1202 44.7658 174.4676 123 I 3.6314 8.4908 127.4909 64.0498 38.0759 177.3682 124 A 3.9539 8.1401 121.0479 55.2092 18.1630 179.4431 125 A 4.1179 8.0433 118.6791 55.4391 18.6294 179.7470 126 Q 4.0384 8.1823 116.5432 59.3112 28.8178 178.9640 127 Q 4.0949 8.2918 119.1937 58.9142 28.6342 178.9229 128 R 3.6981 8.1088 119.4841 59.2265 29.9930 178.3495 129 A 3.9763 8.3646 120.9718 55.4650 18.4710 179.4054 130 C 4.0894 8.1816 115.1137 63.0068 27.9566 176.1071 131 D 4.2918 7.7548 119.4284 57.4043 40.4874 178.5796 132 L 3.6981 7.7086 118.5833 57.5675 41.8014 178.9279 133 N 4.6342 8.3813 115.9048 54.9546 36.9845 176.9165 134 Q 3.9794 7.6425 121.5253 59.1921 28.8617 177.2847 135 P 4.4902 0.0000 0.0000 65.1152 31.4336 178.3019 136 L 4.2654 7.4318 117.2081 57.4124 42.3415 178.5700 137 G 3.8049 9.2150 107.9310 46.3706 0.0000 172.3149 138 G 3.8093 8.4985 107.6995 46.4985 0.0000 175.1653 139 L 4.0327 8.2114 117.4957 57.8324 41.6705 178.7775 140 Y 4.4479 7.6107 116.5134 60.9739 37.8626 177.9588 141 L 4.0227 8.1943 121.2708 58.4389 42.1680 178.1856 142 H 4.2507 8.2995 118.1571 60.0744 29.6937 176.8573 143 H 4.2168 8.5727 117.4849 58.4908 28.5321 177.6396 144 A 4.0723 8.2480 122.8307 55.3337 18.1651 179.5912 145 E 3.9893 8.6577 117.5190 59.3008 29.5265 179.1432 146 E 3.9567 8.5539 119.8116 59.7391 29.8019 178.6217 147 H 4.4308 8.6278 116.2774 58.9700 28.7324 177.8033 148 R 4.1191 8.1570 121.8349 59.1078 29.4887 178.2773 149 D 4.3765 8.4367 118.8366 57.2812 40.6076 178.9940 150 I 3.5400 7.7101 120.2814 64.5058 37.2961 178.5629 151 V 3.5018 7.5126 117.6009 64.6500 31.0614 177.5375 152 E 3.8498 8.1191 118.6161 57.6642 29.6999 178.8572 153 R 3.9234 7.4806 115.1526 56.8921 28.9955 177.0581 154 F 4.6848 6.1455 112.5318 57.1772 40.3417 177.0851 155 G 3.9192 9.8607 108.4934 45.1637 0.0000 172.5286 156 R 3.9519 6.9714 113.2011 56.0494 31.5568 173.7244 157 F 4.8424 9.2098 117.5610 55.4144 38.9942 175.1131 158 P 4.3445 0.0000 0.0000 65.9122 30.8664 178.1672 159 H 4.2919 8.5206 113.4047 58.1306 28.8565 176.7322 160 R 4.4388 8.1646 118.9111 56.8114 30.1634 177.8654 161 N 4.4066 8.2579 117.8711 56.2339 38.5410 177.3356 162 G 3.6034 8.0316 106.4306 48.0545 0.0000 175.7465 163 I 3.8008 7.8118 120.9528 63.6330 37.3053 176.9223 164 L 4.4323 8.2748 117.6703 53.6879 41.8012 176.2973 165 L 3.6527 7.3032 117.2005 55.9612 39.6292 174.5580 166 R 4.5648 7.9622 115.6160 54.2352 32.3607 176.7886 167 E 4.1819 8.4796 120.2335 56.4960 30.2262 178.0325 168 T 4.5474 8.4192 126.6642 63.0157 69.0959 176.8572 169 T 4.2332 8.5068 110.8057 61.3052 68.0081 173.1904 170 P 4.4851 0.0000 0.0000 63.7909 32.6439 177.4529 171 E 4.8458 8.6301 121.8121 56.3044 26.7498 175.1223 172 E 3.5440 8.6227 122.3007 56.6934 29.4053 176.9514 173 R 3.9248 9.0306 125.3125 56.3844 30.8678 176.4021 174 Q 4.6333 8.6670 123.0244 56.2550 26.9538 177.8017 175 Y 4.4143 8.3585 131.1424 56.8015 38.1202 176.3369 176 L 3.8715 7.9504 119.5580 53.8410 42.3089 177.4315 177 E 3.9620 8.6498 123.5576 57.0287 28.0665 176.5440 178 E 4.2088 8.1226 123.4751 55.4023 28.5677 177.2541 179 G 3.9984 8.3922 111.3026 45.5001 0.0000 171.2197 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 D 8.35 4.61 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.12 4.37 4.79 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 1.30 0.00 0.00 6 A 8.44 3.74 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 7 A 8.31 3.92 1.39 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 0.00 0.00 8 L 7.95 3.96 0.00 1.93 2.15 1.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.46 3.13 -0.17 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 10 A 7.65 3.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.25 4.35 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.06 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.16 0.57 0.00 0.00 13 V 7.53 3.57 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 1.08 0.00 0.00 0.86 0.00 0.00 14 D 8.43 4.42 0.00 2.88 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 15 F 8.80 4.24 0.00 3.49 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 16 W 8.57 4.15 0.00 3.47 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 17 K 8.67 4.16 0.00 1.97 1.98 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 18 K 8.01 4.05 0.00 1.83 1.78 0.00 1.68 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 19 A 7.48 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.58 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 0.00 0.00 0.00 21 P 0.00 3.49 0.00 2.11 2.11 0.00 3.09 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 22 D 7.32 4.38 0.00 2.60 2.64 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 23 K 7.28 3.96 0.00 0.79 0.74 0.00 1.09 0.00 0.00 1.04 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.82 0.92 7.81 24 W 7.09 3.77 0.00 2.00 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 25 F 7.66 5.03 0.00 3.11 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 26 D 7.72 4.72 0.00 2.64 2.51 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 27 K 8.31 4.43 0.00 1.80 1.78 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 28 D 8.22 4.85 0.00 2.69 2.64 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 29 A 8.70 4.05 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 30 A 8.32 3.97 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 31 F 8.47 4.30 0.00 3.14 3.30 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 32 D 8.48 4.37 0.00 2.94 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 33 N 8.47 4.28 0.00 2.92 2.99 0.00 0.00 6.89 8.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.32 4.19 0.00 3.43 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.33 4.08 0.00 2.77 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 36 H 8.42 4.06 0.00 2.98 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.31 4.37 0.00 2.72 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 38 R 7.78 3.72 0.00 1.39 0.77 0.00 2.84 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 0.50 1.09 0.00 39 F 7.77 5.02 0.00 3.26 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 40 R 8.36 3.77 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 41 D 8.10 4.39 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.98 3.90 1.39 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 0.00 0.00 43 H 8.02 3.60 0.00 1.81 2.84 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.19 3.78 0.00 3.20 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 45 A 8.27 4.04 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 46 A 8.03 3.71 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 47 A 7.68 3.94 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.67 4.23 0.00 1.92 1.95 0.00 3.29 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 49 R 7.60 4.16 0.00 1.98 2.08 0.00 3.31 0.00 0.00 2.95 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 50 E 8.11 4.29 0.00 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0.00 3.12 2.82 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 0.00 0.00 0.00 77 R 8.06 3.91 0.00 1.80 1.89 0.00 3.29 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 78 G 9.00 3.97 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 0.00 0.00 0.00 79 T 7.23 4.68 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 1.28 0.00 0.00 80 A 8.46 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.54 4.29 0.00 2.92 2.54 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 Y 7.86 5.30 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.90 4.05 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 85 T 7.77 4.48 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.65 2.53 0.00 127 Q 8.29 4.09 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 128 R 8.11 3.70 0.00 1.81 1.84 0.00 2.80 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 1.00 1.32 0.00 129 A 8.36 3.98 1.52 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 0.00 0.00 130 C 8.18 4.09 0.00 3.12 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 0.00 131 D 7.75 4.29 0.00 2.72 2.60 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 0.00 132 L 7.71 3.70 0.00 1.13 0.13 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.38 4.63 0.00 2.85 2.97 0.00 0.00 6.60 8.50 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 0.00 134 Q 7.64 3.98 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 135 P 0.00 4.49 0.00 2.12 2.13 0.00 3.86 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 2.05 2.17 0.00 136 L 7.43 4.27 0.00 2.01 1.95 1.16 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 0.00 137 G 9.21 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 0.00 138 G 8.50 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 0.00 139 L 8.21 4.03 0.00 1.42 1.64 0.80 0.76 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 Y 7.61 4.45 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.19 4.02 0.00 2.01 1.88 0.96 0.75 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 0.00 142 H 8.30 4.25 0.00 3.27 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.57 4.22 0.00 3.41 3.42 0.00 5.68 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 0.00 144 A 8.25 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.66 3.99 0.00 2.18 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 2.50 0.00 146 E 8.55 3.96 0.00 2.11 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 0.00 2.37 2.48 0.00 147 H 8.63 4.43 0.00 3.59 3.85 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.16 4.12 0.00 1.95 2.10 0.00 3.36 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 149 D 8.44 4.38 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.71 3.54 2.21 0.00 0.00 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 1.75 1.16 1.10 0.00 0.00 151 V 7.51 3.50 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 0.87 0.00 0.00 0.12 0.00 0.00 152 E 8.12 3.85 0.00 1.84 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 2.31 2.50 0.00 153 R 7.48 3.92 0.00 1.23 0.79 0.00 2.71 0.00 0.00 2.84 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.70 0.00 154 F 6.15 4.68 0.00 3.05 2.82 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 0.00 0.00 0.00 155 G 9.86 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 0.00 156 R 6.97 3.95 0.00 2.27 1.83 0.00 2.97 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 157 F 9.21 4.84 0.00 3.17 3.01 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 0.00 0.00 0.00 158 P 0.00 4.34 0.00 2.35 1.99 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 159 H 8.52 4.29 0.00 3.24 3.45 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.16 4.44 0.00 1.93 1.89 0.00 3.12 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 161 N 8.26 4.41 0.00 2.79 3.06 0.00 0.00 6.78 7.20 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 0.00 162 G 8.03 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 0.00 0.00 0.00 163 I 7.81 3.80 2.19 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 1.09 0.00 0.00 164 L 8.27 4.43 0.00 1.63 1.70 0.84 1.30 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 0.00 165 L 7.30 3.65 0.00 1.78 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.96 4.56 0.00 1.87 1.82 0.00 3.14 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 167 E 8.48 4.18 0.00 1.95 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 2.31 2.32 0.00 168 T 8.42 4.55 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 1.18 0.00 0.00 169 T 8.51 4.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 170 P 0.00 4.49 0.00 2.22 2.05 0.00 3.61 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 2.13 2.09 0.00 171 E 8.63 4.85 0.00 2.36 2.24 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 2.49 2.50 0.00 172 E 8.62 3.54 0.00 2.10 1.69 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 1.47 1.63 0.00 173 R 9.03 3.92 0.00 1.92 1.99 0.00 3.10 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 174 Q 8.67 4.63 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 175 Y 8.36 4.41 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.95 3.87 0.00 1.84 1.52 0.95 0.94 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 0.00 177 E 8.65 3.96 0.00 1.96 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 2.34 2.43 0.00 178 E 8.12 4.21 0.00 1.97 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 2.48 0.00 179 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.