NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4487 8.3044 118.7588 54.0980 34.2137 175.7153 2 D 4.6105 7.3077 119.4444 53.5553 39.4386 174.2092 3 F 5.1394 8.9177 120.9067 56.9594 41.3250 175.1307 4 R 4.9477 9.2388 119.5692 54.6976 34.8142 174.1240 5 I 5.0140 8.4765 114.7669 59.2549 40.9196 174.4517 6 G 4.3960 9.1263 110.5230 44.6375 0.0000 171.2855 7 Q 5.2095 8.5347 117.3159 54.4754 32.6414 173.9956 8 G 4.4939 9.0160 106.3802 45.2068 0.0000 170.9156 9 Y 5.4008 8.4723 121.6031 55.9907 41.7043 173.5660 10 D 4.6241 8.4340 124.3376 52.9639 45.4083 174.0647 11 V 4.6723 7.7221 121.2714 60.6800 34.5646 173.5533 12 H 5.0173 8.8977 119.0261 53.9157 33.3670 172.9671 13 Q 4.6505 8.6865 119.6113 56.1263 30.1208 174.9428 14 L 5.0466 8.4718 123.0835 53.7798 42.9310 176.5845 15 V 4.7390 9.0068 116.8860 58.5115 36.1601 173.5256 16 P 4.6586 0.0000 0.0000 63.9973 31.8847 176.8599 17 G 3.9520 8.4255 106.5755 45.3622 0.0000 173.5234 18 R 4.6836 7.4031 118.6019 53.0320 32.6879 173.4733 19 P 4.4904 0.0000 0.0000 63.0591 32.3613 175.5760 20 L 4.4352 8.5527 124.6786 54.2021 43.2743 175.1602 21 I 5.0874 8.2379 127.4578 59.6133 40.6770 174.9841 22 I 4.5934 8.1931 127.8864 60.4660 40.0887 176.0445 23 G 3.7933 9.8636 112.5783 46.5664 0.0000 175.1948 24 G 3.8800 8.9995 106.6701 45.1380 0.0000 174.4281 25 V 3.9880 7.4515 120.8673 61.6770 32.2917 174.7746 26 T 4.5027 8.4513 124.5063 63.4567 68.9154 173.9043 27 I 4.3215 8.4619 128.6669 58.5254 38.9966 174.1804 28 P 4.3647 0.0000 0.0000 63.3164 31.5704 175.3551 29 Y 4.6274 8.0683 122.0885 57.1977 40.4930 173.4729 30 E 4.0519 7.2976 124.3076 57.8397 30.0374 176.3191 31 R 4.9950 7.2159 116.3400 54.3653 34.5769 174.0932 32 G 4.5982 8.9284 107.0410 43.7107 0.0000 171.2771 33 L 4.9419 8.4252 119.4365 54.0421 42.6657 176.5644 34 L 4.4729 8.5216 126.2030 54.1065 43.0947 175.7158 35 G 4.0137 8.1126 111.6165 46.3898 0.0000 172.8853 36 H 4.5157 8.7110 119.3380 58.8409 30.4537 175.2293 37 S 4.9842 7.7141 114.1107 57.8483 64.7178 173.5212 38 D 4.3752 8.3330 119.9531 54.1396 39.1276 175.8772 39 A 3.3464 7.8786 121.6659 53.5029 16.6134 178.4646 40 D 4.7214 8.0337 121.6485 54.7344 40.9354 175.9984 41 V 3.8877 7.9727 129.6564 63.9196 31.5812 177.9856 42 L 3.8770 7.7808 120.4438 57.9938 42.0473 178.7472 43 L 4.0069 8.0856 118.9668 58.0180 41.4093 179.2451 44 H 4.2370 8.3683 115.9955 58.8220 28.6171 177.5990 45 A 4.0116 8.0285 122.4957 55.3523 18.2055 179.7973 46 I 3.6452 7.8382 118.2120 64.7082 37.0644 178.7126 47 T 3.6959 8.1965 116.9113 66.7368 68.2172 176.2810 48 D 4.4942 8.4652 120.6485 57.4394 40.8116 178.5880 49 A 4.2263 8.0951 122.6069 54.5668 18.3385 179.8024 50 L 3.8299 8.0035 117.2508 58.0150 41.6740 179.6183 51 F 4.5261 8.2261 118.1355 60.5609 38.7789 178.0642 52 G 3.5681 8.5657 105.4038 47.8029 0.0000 175.5723 53 A 4.1641 8.3277 123.7774 53.8810 18.4648 178.7440 54 A 2.9897 7.5057 115.4834 50.9066 19.5437 176.7736 55 A 3.6787 7.6084 119.2436 53.6675 16.5290 177.8711 56 L 4.6933 8.5522 116.7235 55.2275 43.4934 177.8107 57 G 3.9804 9.0675 110.3596 45.0280 0.0000 175.7472 58 D 4.8295 8.0345 126.2139 50.4317 42.3334 175.5588 59 I 3.9580 9.1488 118.8987 64.2155 37.5997 177.9934 60 G 3.5348 8.1149 106.3094 47.5463 0.0000 175.4948 61 R 3.8409 7.8626 120.2449 59.4715 30.1381 177.8425 62 H 4.1415 7.2608 114.4374 56.4470 30.0411 175.7218 63 F 4.5232 7.7256 118.8189 54.5788 39.3450 172.5285 64 S 4.2255 8.5204 118.2007 58.3441 63.1879 175.9721 65 D 4.5073 8.5169 125.1266 52.8083 38.7266 172.1255 *70 F 4.8931 8.4955 125.4586 56.5977 40.6618 175.8418 71 K 4.0709 8.1423 123.3561 55.3255 31.4179 181.0493 72 G 3.9071 9.5647 113.4721 44.8161 0.0000 173.1345 73 A 3.9286 7.5436 122.2184 52.4069 18.9533 177.3053 74 D 4.7578 8.6004 120.8477 54.2414 42.0568 177.5787 75 S 4.2188 9.2016 124.4199 61.0101 62.7755 176.9036 76 R 3.8620 8.2582 121.4151 58.9770 29.7650 178.6488 77 A 3.9478 8.0440 120.1455 55.0773 18.3684 179.4424 78 L 3.2705 7.5198 117.0188 57.6387 41.5411 179.4907 79 L 3.8885 8.0391 120.4189 58.2397 41.9558 179.2476 80 R 3.9058 8.1743 118.1488 59.2054 29.9065 178.6646 81 E 4.0243 8.3802 119.1936 59.2836 29.6621 178.3208 82 C 4.0232 8.6898 118.9828 62.5076 31.4883 175.3783 83 A 3.9524 8.2220 122.6215 55.1560 17.8365 179.4239 84 S 4.0603 8.2857 111.6204 61.8100 62.4429 176.7573 85 R 4.0072 8.3806 120.9043 59.1412 29.8751 179.1686 86 V 3.7070 8.4081 118.3469 66.0672 31.5160 177.9802 87 A 4.5320 8.3262 122.0978 54.8161 18.0031 179.4176 88 Q 3.9350 8.3444 117.2367 59.0755 29.2352 177.7729 89 A 4.2838 8.1624 120.2599 52.9877 18.5875 178.0214 90 G 3.7930 8.1975 106.4383 44.6992 0.0000 172.7278 91 F 5.1200 8.2204 118.2571 55.5968 41.4628 174.6069 92 A 4.8895 9.0424 125.0111 50.4460 21.2307 176.1409 93 I 4.2006 8.3596 122.6158 61.4598 37.5754 175.8647 94 R 4.5836 9.0549 126.4493 57.9088 31.5589 176.1588 95 N 4.9641 7.6217 113.2492 52.1533 40.6563 173.4974 96 V 4.9349 8.5695 118.9997 61.2724 35.1384 173.7171 97 D 5.4179 9.2506 125.8894 51.7841 45.1837 174.0779 98 S 5.1044 8.1582 115.2349 58.0036 66.4627 173.2852 99 T 5.0576 8.8823 116.8565 62.0612 72.7524 172.9559 100 I 4.8189 9.0799 126.6601 59.6490 40.0871 174.6186 101 I 4.9908 8.8579 127.1547 59.5832 39.3069 174.5688 102 A 4.7477 8.7207 128.0936 50.6979 22.3280 177.0164 103 Q 3.8613 8.9681 123.1542 58.9490 29.5491 175.9385 104 A 4.3644 7.1642 116.6622 50.5083 21.6952 173.9144 105 P 4.3978 0.0000 0.0000 61.8909 32.9738 176.4272 106 K 4.0609 8.4065 120.0225 55.0753 31.7680 173.3844 107 L 4.4988 8.4451 123.6788 54.7743 42.1686 178.4803 108 A 3.9902 8.0571 120.9293 55.0086 17.9891 177.5606 109 P 4.2472 0.0000 0.0000 64.6810 31.7257 177.2430 110 H 4.8146 8.2318 114.2026 55.6144 29.7321 176.4239 111 I 3.6902 7.4307 122.8592 64.5599 36.9684 177.9073 112 D 4.3231 8.0898 118.9556 57.2214 40.6794 178.4860 113 A 4.0018 7.9688 120.8294 55.3931 18.4069 179.4039 114 M 4.2401 7.9709 118.4776 58.0053 31.9739 178.8731 115 R 3.8489 8.1923 118.6743 59.4366 30.2496 178.3564 116 A 3.9730 8.1429 120.4781 55.1980 18.2731 179.3671 117 N 4.2783 8.2840 114.9340 56.5137 38.6432 177.7352 118 I 3.6498 7.9148 120.9283 64.2911 37.1673 178.2548 119 A 3.9695 8.2508 121.5816 55.0877 18.3059 179.4562 120 A 3.9215 8.0549 119.0877 55.6662 18.3029 179.7485 121 D 4.3695 8.2358 116.0817 56.7215 40.9525 177.9869 122 L 4.3423 7.8931 116.8262 53.2835 42.9254 175.6324 123 D 4.3436 7.5964 117.5037 55.6168 40.0372 172.7287 124 L 4.8554 7.9859 117.4732 51.8807 45.1481 175.5850 125 P 4.5016 0.0000 0.0000 62.3590 32.2760 177.2661 126 L 3.9698 8.6263 119.7737 58.1822 41.5892 178.8636 127 D 4.5823 8.0760 114.4700 54.5931 39.6307 176.3886 128 R 4.6471 8.1318 118.6665 55.9638 31.7212 175.1599 129 V 4.9347 7.8873 119.0796 61.1105 34.4829 174.4117 130 N 5.0964 9.0474 125.2647 51.8643 42.6703 172.9794 131 V 4.7026 8.3123 124.0180 59.9398 34.5687 174.4688 132 K 4.8313 8.9071 126.2492 54.4799 35.6702 174.8904 133 A 5.2348 8.5216 123.8099 50.2395 22.0387 175.6402 134 K 4.7402 8.9366 119.7812 54.8770 36.9262 176.5182 135 T 4.6718 8.4340 113.7255 60.0645 70.9447 173.4520 136 N 4.7492 8.5056 116.8153 53.2787 39.1591 174.2307 137 E 3.9380 8.7557 112.9580 56.9617 27.6865 175.9088 138 K 3.9450 8.2196 113.0482 56.8247 29.9676 175.8901 139 L 4.4104 7.8884 120.0578 54.0912 43.2500 178.3416 140 G 4.2205 8.4962 112.2050 45.1106 0.0000 173.2200 141 Y 4.3140 8.0448 115.7826 60.0475 37.7826 178.2501 142 L 4.0753 7.1164 120.7326 57.6374 41.6284 179.3836 143 G 3.6605 7.9560 104.6061 47.4288 0.0000 174.9789 144 R 4.4069 7.9893 117.7135 55.3216 30.3498 176.6086 145 G 3.9993 7.8712 106.7133 46.7847 0.0000 175.1034 146 E 4.2231 8.6984 121.1410 57.8229 29.9335 176.3544 147 G 4.6211 7.4934 103.6616 45.6999 0.0000 172.4729 148 I 4.9479 8.6264 119.8709 59.3283 41.0206 174.7776 149 E 5.0821 8.9050 126.3293 54.4394 32.7038 174.3829 150 A 5.2292 8.6053 125.0761 50.3153 23.0455 175.0224 151 Q 5.1968 9.1674 118.3982 54.2869 32.9866 174.5867 152 A 5.2155 9.0121 122.1536 50.6263 23.3712 174.9523 153 A 5.2307 9.2205 120.4394 50.2300 23.0105 175.2423 154 A 5.0472 9.0188 121.6212 50.0851 23.2499 174.6901 155 L 5.1587 8.8013 122.9224 53.4399 44.9135 175.7843 156 V 5.2231 8.8430 118.2193 59.6143 36.7007 174.6432 157 V 4.7960 8.7506 120.3412 60.1111 34.7371 175.5702 158 R 4.3143 8.8303 123.7414 55.8416 29.5037 175.8635 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 1 M 8.30 4.45 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.31 4.61 0.00 2.83 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 3 F 8.92 5.14 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.24 4.95 0.00 1.63 1.74 0.00 3.30 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 5 I 8.48 5.01 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 1.29 0.95 0.92 0.00 0.00 6 G 9.13 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.53 5.21 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.02 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.47 5.40 0.00 2.89 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 10 D 8.43 4.62 0.00 2.72 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 11 V 7.72 4.67 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 12 H 8.90 5.02 0.00 3.06 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.65 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 14 L 8.47 5.05 0.00 1.59 1.69 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.01 4.74 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 0.80 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.66 0.00 2.05 2.02 0.00 3.78 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 1.98 1.96 0.00 17 G 8.43 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 18 R 7.40 4.68 0.00 1.83 1.81 0.00 3.30 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 19 P 0.00 4.49 0.00 2.07 2.06 0.00 3.75 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 1.98 1.96 0.00 20 L 8.55 4.44 0.00 2.14 1.85 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.24 5.09 1.83 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 1.32 0.62 0.87 0.00 0.00 22 I 8.19 4.59 1.81 0.00 0.00 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 1.17 0.99 0.86 0.00 0.00 23 G 9.86 3.79 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 0.00 0.00 0.00 24 G 9.00 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 0.00 0.00 0.00 25 V 7.45 3.99 2.15 0.00 0.00 0.00 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 0.99 0.00 0.00 26 T 8.45 4.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 27 I 8.46 4.32 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.55 0.75 0.00 0.00 28 P 0.00 4.36 0.00 1.99 2.05 0.00 3.75 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 2.08 2.12 0.00 29 Y 8.07 4.63 0.00 2.77 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.30 4.05 0.00 1.66 1.76 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 2.25 2.26 0.00 31 R 7.22 4.99 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 32 G 8.93 4.60 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 33 L 8.43 4.94 0.00 1.54 1.55 0.91 0.96 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 34 L 8.52 4.47 0.00 1.64 1.60 0.94 1.34 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 35 G 8.11 4.01 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 0.00 0.00 0.00 36 H 8.71 4.52 0.00 3.28 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.71 4.98 0.00 4.25 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 38 D 8.33 4.38 0.00 2.78 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 39 A 7.88 3.35 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.03 4.72 0.00 2.79 2.45 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 41 V 7.97 3.89 2.10 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 0.92 0.00 0.00 0.99 0.00 0.00 42 L 7.78 3.88 0.00 1.74 1.78 0.90 0.64 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 43 L 8.09 4.01 0.00 1.71 1.68 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.37 4.24 0.00 3.46 3.36 0.00 5.64 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 45 A 8.03 4.01 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 46 I 7.84 3.65 1.97 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 1.51 0.73 0.87 0.00 0.00 47 T 8.20 3.70 4.46 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 1.26 0.00 0.00 48 D 8.47 4.49 0.00 3.07 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 49 A 8.10 4.23 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 50 L 8.00 3.83 0.00 1.58 1.52 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.23 4.53 0.00 3.02 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 52 G 8.57 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.33 4.16 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 54 A 7.51 2.99 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 55 A 7.61 3.68 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 56 L 8.55 4.69 0.00 1.75 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1.68 1.61 0.00 77 A 8.04 3.95 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 78 L 7.52 3.27 0.00 1.58 0.99 0.56 0.08 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 79 L 8.04 3.89 0.00 1.77 1.77 0.84 1.24 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 80 R 8.17 3.91 0.00 2.02 1.97 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 81 E 8.38 4.02 0.00 2.19 2.27 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 2.71 2.83 0.00 82 C 8.69 4.02 0.00 2.71 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 83 A 8.22 3.95 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 84 S 8.29 4.06 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.38 4.01 0.00 2.22 2.12 0.00 3.32 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 86 V 8.41 3.71 2.21 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 1.08 0.00 0.00 0.91 0.00 0.00 87 A 8.33 4.53 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 88 Q 8.34 3.93 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 89 A 8.16 4.28 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.20 3.79 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 0.00 0.00 0.00 91 F 8.22 5.12 0.00 3.15 2.96 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 92 A 9.04 4.89 1.23 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 93 I 8.36 4.20 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 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0.61 0.97 0.00 0.00 102 A 8.72 4.75 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 0.00 103 Q 8.97 3.86 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 104 A 7.16 4.36 1.23 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 0.00 105 P 0.00 4.40 0.00 2.06 1.70 0.00 3.30 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 106 K 8.41 4.06 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.45 4.50 0.00 1.65 1.71 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.06 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.25 0.00 1.74 2.02 0.00 3.74 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 1.96 2.12 0.00 110 H 8.23 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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 1.43 0.77 0.89 0.00 0.00 119 A 8.25 3.97 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 0.00 120 A 8.05 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 0.00 121 D 8.24 4.37 0.00 2.74 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 0.00 122 L 7.89 4.34 0.00 1.61 1.68 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.60 4.34 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.86 0.00 1.61 1.53 0.92 0.91 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 0.00 125 P 0.00 4.50 0.00 2.49 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 126 L 8.63 3.97 0.00 1.73 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.34 1.51 7.81 135 T 8.43 4.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 136 N 8.51 4.75 0.00 2.75 2.71 0.00 0.00 7.04 7.65 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 0.00 137 E 8.76 3.94 0.00 2.11 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 2.24 2.39 0.00 138 K 8.22 3.94 0.00 1.91 1.96 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 139 L 7.89 4.41 0.00 1.78 1.52 0.90 0.68 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 0.00 140 G 8.50 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 0.00 0.00 0.00 0.00 141 Y 8.04 4.31 0.00 3.30 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 0.00 142 L 7.12 4.08 0.00 1.48 1.66 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.96 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.99 4.41 0.00 1.95 2.02 0.00 3.33 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 145 G 7.87 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 0.00 146 E 8.70 4.22 0.00 2.34 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 0.00 2.37 2.33 0.00 147 G 7.49 4.62 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 0.00 0.00 0.00 148 I 8.63 4.95 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 0.93 0.00 0.00 149 E 8.91 5.08 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 150 A 8.61 5.23 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 0.00 151 Q 9.17 5.20 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 152 A 9.01 5.22 1.23 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 0.00 153 A 9.22 5.23 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 0.00 154 A 9.02 5.05 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 L 8.80 5.16 0.00 1.77 1.68 1.00 0.70 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 0.00 156 V 8.84 5.22 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 0.65 0.00 0.00 0.81 0.00 0.00 157 V 8.75 4.80 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 0.80 0.00 0.00 0.22 0.00 0.00 158 R 8.83 4.31 0.00 1.43 1.86 0.00 2.35 0.00 0.00 2.90 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.00 * Residues marked with a * may have inaccurate shift predictions.