NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6985 8.3193 116.7924 58.5874 62.8383 173.2882 2 S 4.3597 8.2886 115.7265 57.0560 62.6252 174.8163 3 Q 4.1736 8.1487 121.4176 58.7691 29.5998 177.6259 4 I 4.2867 7.2863 109.9356 60.6378 39.4406 176.0945 5 R 4.1489 7.0990 119.8450 55.9265 30.1863 175.5759 6 Q 4.3552 8.3954 125.5199 55.9391 31.7946 173.0686 7 N 4.1243 9.0391 123.2569 54.7983 37.3475 173.1168 8 Y 4.6318 7.9079 117.6048 54.6300 39.8103 175.5412 9 S 4.3175 7.9716 122.7314 57.9507 65.4054 174.9604 10 T 3.7546 8.2787 113.7398 64.8889 68.4234 176.5187 11 E 3.8375 7.9227 120.9931 59.2215 29.5664 179.2711 12 V 3.4117 7.4474 118.1999 65.7551 31.5598 177.3898 13 E 3.7614 7.6436 118.8615 59.3847 29.4114 178.7769 14 A 3.9082 8.0604 120.3733 55.1540 18.4016 179.5117 15 A 3.9447 8.0645 119.3162 55.0723 18.3467 180.0664 16 V 3.4867 8.1938 117.3400 66.2527 31.6569 177.9981 17 N 4.2308 8.0617 116.1962 56.4163 38.3225 177.6277 18 R 3.9498 8.1016 119.4450 59.1504 30.0558 178.8911 19 L 4.0741 8.2061 120.3396 57.9230 41.9912 179.0911 20 V 3.6645 8.0164 118.4639 66.0911 31.3966 177.4672 21 N 4.3890 8.1751 116.5889 56.7597 38.7613 176.6876 22 L 4.0356 8.2132 120.3503 58.1941 41.6571 179.2336 23 Y 3.9122 8.6572 116.9362 61.0233 37.8218 178.4936 24 L 4.1358 8.4648 120.1580 57.8004 41.6532 179.7228 25 R 4.0624 8.5433 118.2658 59.2667 29.9475 178.9605 26 A 3.7766 8.2157 120.6124 55.0533 18.2654 179.4847 27 S 4.2282 8.5118 112.0254 61.8738 62.4849 175.8640 28 Y 4.4383 8.3236 122.1278 61.0980 38.4592 177.9692 29 T 3.7656 8.1366 116.8119 67.0079 68.4611 176.2491 30 Y 4.1088 7.9708 118.6417 60.6046 37.8241 178.0784 31 L 4.1628 8.4452 121.8781 58.3183 42.2514 179.0304 32 S 4.3005 8.2590 112.9359 61.4218 62.5153 175.9520 33 L 3.5871 7.9461 122.0803 57.5700 41.0153 179.6939 34 G 3.8239 8.3030 104.4925 48.2172 0.0000 175.5855 35 F 4.2619 8.4956 120.6326 59.8331 38.8500 177.2499 36 Y 4.1856 8.5126 119.7108 60.7811 38.6869 177.8504 37 F 4.1784 8.4228 117.1188 59.2339 38.8995 176.2705 38 D 4.5695 7.6517 116.7474 54.2731 41.8726 176.5108 39 R 4.0842 7.2973 119.2975 56.6123 30.6125 177.5118 40 D 4.3762 8.7187 121.1287 55.9423 39.5311 176.7123 41 D 4.7403 7.9543 117.4944 53.0092 39.4948 175.8684 42 V 3.9133 7.3305 116.5854 63.7570 33.8349 175.3475 43 A 3.7612 7.9006 119.8257 53.5437 15.7181 178.6768 44 L 4.7292 8.1981 121.3545 51.7328 43.0752 177.7405 45 E 3.9623 8.8252 124.0225 58.9392 30.2416 178.4798 46 G 3.6797 8.8388 108.3007 48.6192 0.0000 174.9592 47 V 3.3228 7.4672 118.7258 63.3072 31.4159 177.3176 *49 H 4.5884 8.3376 119.4530 55.6655 31.7591 174.6879 50 F 3.9499 8.1438 120.8374 61.5292 39.0359 177.2445 51 F 4.2405 8.0230 117.1933 60.2792 38.8285 177.8259 52 R 3.9624 8.0916 120.5843 59.9916 29.9539 178.8571 53 E 3.8839 8.0371 118.1337 61.0842 29.5838 181.1987 54 L 3.8549 7.3529 119.2619 57.2315 41.4417 179.3108 55 A 4.1840 8.1230 121.0000 55.2574 18.2261 179.3369 56 E 3.8895 8.0532 117.2060 59.4947 29.7636 178.8329 57 E 4.2025 8.0472 119.9212 58.9104 29.5143 179.6108 58 K 4.3293 8.4154 118.6589 59.5041 32.1308 179.4356 59 R 4.0352 8.2113 119.1097 59.5057 30.0342 178.3794 60 E 4.1089 8.6803 118.8654 59.2732 29.4278 179.5627 61 G 3.7048 8.3423 105.5423 47.7493 0.0000 175.4698 62 A 4.0679 8.2952 123.5651 55.0422 18.3597 179.5850 63 E 4.0151 8.4672 117.0176 59.6268 29.5061 179.8444 64 R 4.0656 8.3775 118.2542 59.2856 30.0772 179.0348 65 L 4.1174 8.2494 118.7939 57.9378 41.6414 179.6810 66 L 3.9694 8.2079 118.9425 57.5179 41.4695 179.3996 67 K 3.9218 8.4760 120.0689 59.6980 32.1666 178.5089 68 M 4.0152 8.0820 119.7790 57.9091 32.0391 177.6354 69 Q 3.8241 8.1246 120.0259 59.5874 29.2259 178.5593 70 N 4.3016 8.0980 117.0940 56.3809 38.3612 177.4667 71 Q 3.9424 8.2043 119.7365 58.6564 28.6532 178.3660 72 R 4.0141 7.7550 117.4269 56.1983 30.0034 178.0153 73 G 3.9114 7.5774 107.2793 45.0345 0.0000 173.8421 74 G 4.0283 7.4401 108.7191 44.8857 0.0000 173.5137 75 R 4.4629 8.8601 118.2186 53.6009 32.3110 176.1603 76 A 3.8696 8.5693 126.4511 52.1384 18.8987 176.4702 77 L 4.5670 7.5857 121.7975 52.9260 44.9931 176.1761 78 F 4.7774 8.6728 122.2397 56.0310 40.6327 174.9569 79 Q 4.7966 8.3434 121.7478 53.4018 32.1426 174.9626 80 D 4.4278 8.5870 118.4781 55.0961 41.2118 176.6949 81 L 4.6628 8.2415 122.3762 52.7333 42.6981 176.6575 82 Q 4.2646 8.5888 122.6864 55.3502 29.3905 176.3796 83 K 4.1479 8.4107 119.3303 55.9566 31.9930 174.9766 84 P 4.4664 0.0000 0.0000 62.5153 31.8428 177.9199 85 S 4.3409 8.7038 114.6006 60.6294 63.2583 174.3406 86 Q 4.1525 6.5602 116.9714 53.8458 32.0473 174.5911 87 D 4.4045 8.0117 118.8560 55.1117 41.8743 177.0774 88 E 4.2503 7.2063 116.5736 54.1851 32.4512 175.4730 89 W 4.5599 6.1405 120.6077 55.7038 30.7154 177.8652 90 G 3.8302 7.5061 106.9773 47.3841 0.0000 175.0665 91 T 4.6135 9.0627 116.2402 60.8638 71.3795 175.7775 92 T 4.0680 9.4223 118.4465 66.8370 68.3594 176.5314 93 L 3.9141 7.9857 121.4860 58.3456 42.1924 178.5035 94 D 4.4390 8.3097 118.4707 57.4869 40.7371 178.8097 95 A 4.1448 8.5837 121.3628 55.5057 18.4937 179.4148 96 M 4.2748 8.6538 117.1156 58.6066 32.2879 178.5592 97 K 3.9923 8.3819 118.5847 59.5523 32.2584 179.0852 98 A 4.0765 8.2968 120.7223 55.1436 18.1880 179.5855 99 A 4.0247 8.4103 119.5041 55.3742 18.4732 179.7451 100 I 3.7321 8.0695 117.2647 64.0064 38.0477 178.2212 101 V 3.5883 7.8814 119.2852 65.8963 31.3609 177.7264 102 L 3.9055 8.0671 119.9731 58.3679 41.9044 178.8518 103 E 4.0249 8.6187 118.8574 59.3210 29.2835 179.4536 104 K 4.0353 8.5353 119.2947 59.4449 32.0823 179.5149 105 S 4.1341 8.1851 114.6193 61.3367 62.8766 176.6595 106 L 3.9123 7.9206 122.6429 57.4058 41.2823 178.7518 107 N 4.3218 8.5127 117.4418 56.9586 38.8134 176.5703 108 Q 3.9465 8.4569 120.8623 59.1888 29.1247 178.1252 109 A 4.0311 8.1404 121.8356 55.0732 18.3073 179.6337 110 L 4.0062 8.2451 117.6366 57.9578 41.6700 179.7388 111 L 4.0337 8.2696 119.1777 57.9178 41.5751 179.2810 112 D 4.3657 8.4950 119.2530 57.2721 40.6524 178.6824 113 L 3.9666 8.1121 120.8932 58.2689 42.0475 178.3558 114 H 4.0540 8.6579 118.4306 59.2989 29.7051 177.0893 115 A 4.0354 8.3051 122.6418 54.9285 18.1086 179.3495 116 L 3.9526 8.1364 119.0092 58.2919 42.1530 179.4534 117 G 3.5667 8.3523 106.0222 47.7735 0.0000 175.5002 118 S 4.0486 8.4116 115.7964 61.1764 62.2128 176.1697 119 A 4.0502 8.0188 122.3065 54.9665 18.1947 178.7005 120 Q 4.1278 8.1895 113.7430 54.9072 30.0317 175.6199 121 A 3.7337 7.5356 122.0739 53.8537 16.7547 179.0085 122 D 5.0813 8.1751 122.3040 51.3182 41.3624 174.2508 123 P 4.3442 0.0000 0.0000 65.2709 31.5695 178.0487 124 H 4.0956 8.2298 117.9157 58.9783 29.8563 176.6155 125 L 4.0673 8.1577 124.3888 59.0902 41.9862 179.1424 126 C 4.0523 7.9328 118.7805 63.1883 27.7589 177.2408 127 D 4.5458 8.3814 121.0711 57.1450 40.9279 178.0679 128 F 4.1076 8.4991 121.3341 61.4293 39.2938 177.1385 129 L 4.1046 8.4930 121.0452 58.2389 41.2004 179.8839 130 E 3.9922 8.0981 117.2559 61.4622 29.8095 181.0660 131 S 4.3972 8.4365 115.3801 60.7434 62.9248 174.9688 132 H 4.7764 7.6967 113.6817 55.1804 30.6215 173.4675 133 F 4.5442 7.9419 116.5478 58.5884 41.9438 177.0531 134 L 4.0612 8.4217 120.5206 58.0235 41.3010 179.2108 135 D 4.3735 8.0323 117.4369 57.1252 41.2234 177.8119 136 E 3.9142 8.1190 118.8562 59.3103 29.3987 178.8151 137 E 3.9568 8.3228 119.2756 59.2268 29.7935 178.9172 138 V 3.5911 7.8520 118.2775 66.0602 31.6007 178.1212 139 K 3.9791 8.3327 118.4461 59.2873 31.7816 179.1474 140 L 3.9487 8.0979 120.5952 58.3228 41.9968 179.1077 141 I 3.7356 8.0663 120.0504 64.0811 36.8951 178.3109 142 K 3.8950 8.1713 120.5602 59.3774 31.9890 178.7131 143 K 3.8497 8.0598 119.8047 59.8853 32.0510 178.6758 144 M 4.2138 8.4704 119.3290 58.2724 31.8528 179.0108 145 G 3.6055 8.4802 106.3062 47.7634 0.0000 175.3725 146 D 4.3917 8.3880 121.7360 57.5030 40.8824 178.6401 147 H 4.3053 8.2755 116.5863 58.8409 28.6706 177.3499 148 L 3.8001 8.1395 122.3440 58.6880 41.8766 179.1211 149 T 3.8337 7.9439 115.3294 66.8357 68.1456 176.3945 150 N 4.3702 7.8871 117.2356 56.1911 38.9974 177.2469 151 I 3.4031 7.6289 121.5891 64.3687 37.0064 178.5006 152 Q 3.9600 8.2371 119.1788 58.9883 28.3083 178.9172 153 R 3.8975 7.8892 118.6339 58.9771 30.0961 177.8390 154 L 4.2879 7.6564 117.0945 55.7583 41.3259 179.0514 155 V 3.5963 7.6517 119.6719 65.7246 31.7467 176.2483 156 G 3.9871 8.3411 107.5539 47.1854 0.0000 173.8596 157 S 4.7120 8.7304 117.9742 58.0154 64.0060 174.7556 158 Q 4.5395 7.5906 119.3139 53.6560 28.8950 175.5958 159 A 4.1981 8.1354 123.6513 54.8678 18.9662 179.4666 160 G 3.5909 8.0745 103.7715 47.8538 0.0000 175.2466 161 L 4.1336 8.0799 122.9363 57.9550 42.1175 179.1505 162 G 3.7764 8.2181 106.8071 47.2333 0.0000 175.2560 163 E 4.0540 8.5603 121.8535 59.0642 29.6653 178.1639 164 Y 4.1556 8.2541 119.5757 60.9137 38.8311 178.1573 165 L 3.8659 8.2398 119.8390 57.7187 41.7161 179.3651 166 F 4.0142 8.3417 120.5911 61.1896 39.3219 176.8229 167 E 3.6588 8.0529 118.5776 59.2341 29.1878 179.0805 168 R 3.6645 7.5931 117.1584 58.4665 30.2130 178.0985 169 L 4.3627 7.7783 116.4723 54.8884 42.7118 177.2980 170 T 4.1033 7.1629 113.7135 64.9064 69.9352 175.8175 171 L 3.9092 7.0658 118.8161 56.7612 42.1872 178.0581 172 K 3.8896 7.6624 119.6937 57.2803 32.5242 177.3891 *173 H 4.3435 8.4416 118.1407 54.7785 27.9875 173.7825 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 S 8.32 4.70 0.00 3.86 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 2 S 8.29 4.36 0.00 4.09 4.08 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 3 Q 8.15 4.17 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 4 I 7.29 4.29 1.82 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 1.14 0.65 0.88 0.00 0.00 5 R 7.10 4.15 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 6 Q 8.40 4.36 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 7 N 9.04 4.12 0.00 2.90 2.88 0.00 0.00 6.91 7.54 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 8 Y 7.91 4.63 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.97 4.32 0.00 4.18 3.96 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 10 T 8.28 3.75 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 1.17 0.00 0.00 11 E 7.92 3.84 0.00 1.98 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 0.00 2.35 2.37 0.00 12 V 7.45 3.41 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 0.76 0.00 0.00 0.81 0.00 0.00 13 E 7.64 3.76 0.00 1.80 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 2.28 2.53 0.00 14 A 8.06 3.91 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 15 A 8.06 3.94 1.35 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 16 V 8.19 3.49 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 1.03 0.00 0.00 1.00 0.00 0.00 17 N 8.06 4.23 0.00 2.93 2.76 0.00 0.00 7.07 7.70 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 18 R 8.10 3.95 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 19 L 8.21 4.07 0.00 1.91 1.82 1.17 0.62 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 20 V 8.02 3.66 2.23 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 1.15 0.00 0.00 0.99 0.00 0.00 21 N 8.18 4.39 0.00 2.97 3.00 0.00 0.00 7.28 6.67 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 22 L 8.21 4.04 0.00 2.06 1.72 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.66 3.91 0.00 3.25 3.35 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 24 L 8.46 4.14 0.00 1.81 1.79 1.09 0.97 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 25 R 8.54 4.06 0.00 2.12 2.03 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 26 A 8.22 3.78 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 27 S 8.51 4.23 0.00 4.04 4.17 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 28 Y 8.32 4.44 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.14 3.77 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 0.72 0.00 0.00 30 Y 7.97 4.11 0.00 3.18 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 31 L 8.45 4.16 0.00 2.07 2.15 1.32 1.35 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 32 S 8.26 4.30 0.00 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.95 3.59 0.00 1.34 0.85 -0.12 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.30 3.82 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 0.00 0.00 0.00 35 F 8.50 4.26 0.00 3.29 3.26 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 36 Y 8.51 4.19 0.00 3.38 3.33 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 37 F 8.42 4.18 0.00 3.37 3.37 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 38 D 7.65 4.57 0.00 2.56 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 39 R 7.30 4.08 0.00 1.79 1.94 0.00 3.25 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 40 D 8.72 4.38 0.00 2.79 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 41 D 7.95 4.74 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.33 3.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.27 0.00 0.00 43 A 7.90 3.76 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 44 L 8.20 4.73 0.00 1.98 1.66 1.24 0.82 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 45 E 8.83 3.96 0.00 1.92 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 0.00 2.28 2.34 0.00 46 G 8.84 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 47 V 7.47 3.32 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 -0.12 0.00 0.00 0.73 0.00 0.00 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2.98 0.00 0.00 6.89 7.08 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 0.00 108 Q 8.46 3.95 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 109 A 8.14 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 0.00 110 L 8.25 4.01 0.00 2.00 1.81 1.19 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.27 4.03 0.00 1.85 1.74 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.50 4.37 0.00 2.84 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 0.00 113 L 8.11 3.97 0.00 1.85 1.82 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.66 4.05 0.00 3.34 3.46 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 0.00 115 A 8.31 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.11 2.04 0.00 124 H 8.23 4.10 0.00 3.24 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.16 4.07 0.00 2.01 1.91 0.98 1.50 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 0.00 126 C 7.93 4.05 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.38 4.55 0.00 2.79 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 0.00 128 F 8.50 4.11 0.00 3.12 3.26 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 0.00 129 L 8.49 4.10 0.00 2.00 1.78 1.03 0.76 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 0.00 130 E 8.10 3.99 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 131 S 8.44 4.40 0.00 3.44 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.70 4.78 0.00 2.62 2.77 0.00 5.60 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 7.94 4.54 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.42 4.06 0.00 1.71 1.74 0.90 1.14 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 0.00 135 D 8.03 4.37 0.00 2.77 2.63 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 0.00 136 E 8.12 3.91 0.00 2.18 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 0.00 2.26 2.35 0.00 137 E 8.32 3.96 0.00 2.46 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 0.00 2.42 2.42 0.00 138 V 7.85 3.59 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 0.98 0.00 0.00 0.99 0.00 0.00 139 K 8.33 3.98 0.00 2.01 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 140 L 8.10 3.95 0.00 1.83 1.82 0.87 0.92 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 0.00 141 I 8.07 3.74 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.94 0.00 0.00 142 K 8.17 3.89 0.00 1.88 1.99 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 143 K 8.06 3.85 0.00 1.87 1.99 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.36 7.81 144 M 8.47 4.21 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.85 0.00 145 G 8.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.39 0.00 2.81 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 0.00 147 H 8.28 4.31 0.00 3.25 3.25 0.00 5.64 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 0.00 148 L 8.14 3.80 0.00 1.86 1.84 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.94 3.83 4.39 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 1.20 0.00 0.00 150 N 7.89 4.37 0.00 2.91 3.03 0.00 0.00 7.10 7.55 0.00 0.00 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 I 7.63 3.40 1.66 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.71 0.00 0.00 152 Q 8.24 3.96 0.00 2.20 2.12 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 2.40 0.00 153 R 7.89 3.90 0.00 1.96 2.06 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 154 L 7.66 4.29 0.00 1.90 1.70 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.65 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 156 G 8.34 3.99 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 0.00 0.00 0.00 157 S 8.73 4.71 0.00 3.97 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 0.00 158 Q 7.59 4.54 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 159 A 8.14 4.20 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 0.00 160 G 8.07 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.08 4.13 0.00 1.79 1.94 0.99 1.04 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 0.00 162 G 8.22 3.78 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 0.00 163 E 8.56 4.05 0.00 2.25 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 0.00 2.45 2.43 0.00 164 Y 8.25 4.16 0.00 3.11 3.16 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 0.00 165 L 8.24 3.87 0.00 1.81 1.73 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.34 4.01 0.00 3.10 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 0.00 167 E 8.05 3.66 0.00 2.05 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 2.16 2.45 0.00 168 R 7.59 3.66 0.00 1.56 1.68 0.00 3.06 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.51 0.00 169 L 7.78 4.36 0.00 1.55 1.60 0.88 0.95 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 0.00 170 T 7.16 4.10 2.90 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 0.00 0.00 0.75 0.00 0.00 171 L 7.07 3.91 0.00 1.41 1.60 0.60 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.66 3.89 0.00 1.82 1.61 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.40 7.81 *173 H 8.44 4.34 0.00 2.93 2.83 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.