NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4650 8.2893 120.3271 54.5737 33.2674 174.9852 2 P 4.1543 0.0000 0.0000 65.3905 31.7246 171.3770 3 V 3.8337 7.8791 115.0341 59.4285 33.4246 176.6395 4 A 4.5000 8.3325 126.9529 50.5506 20.6365 175.4153 5 H 4.6283 8.6580 121.0821 54.6303 29.0363 174.7968 6 V 4.3397 8.1903 123.9880 60.6909 33.6131 174.5586 7 A 4.5424 8.3992 128.9478 50.9827 19.9161 176.6310 8 L 4.7315 8.0628 121.7353 51.8069 44.7763 174.6919 9 P 4.0139 0.0000 0.0000 63.7504 30.3300 177.8236 10 V 3.3380 7.1689 121.8397 61.7730 30.7454 174.5951 11 P 4.3582 0.0000 0.0000 62.4992 30.0395 178.1892 *13 P 4.0044 0.0000 0.0000 63.1874 31.4279 174.7590 14 R 4.0452 8.1675 120.7727 55.5459 29.6082 176.1141 15 T 4.5241 8.0153 112.2664 59.5375 71.7433 173.0320 16 F 4.8015 8.7389 119.7835 55.8850 40.7370 175.2258 17 D 5.0599 8.6215 124.7026 53.2605 42.2234 175.4214 18 Y 4.9578 8.3197 119.9176 56.0134 42.1680 174.6328 19 L 4.2764 8.1474 123.0103 55.5603 43.1585 174.1212 20 L 4.1839 8.7352 127.9542 55.5999 41.7538 179.3316 *22 E 3.8590 9.4135 132.1583 59.9612 29.8817 174.1874 23 G 4.0070 9.1553 114.5105 45.2044 0.0000 171.4490 24 M 4.5844 7.6650 118.9219 53.6218 33.9541 174.7888 25 T 4.7194 8.2834 119.4182 60.4231 70.5896 173.0145 26 V 4.5648 8.0585 119.4199 59.7794 35.4989 173.9346 27 K 4.5937 8.1353 119.7439 54.1465 35.7437 175.1875 28 A 3.7515 8.2650 121.6322 54.2531 18.4994 178.2291 29 G 3.4217 8.2559 109.3737 45.0675 0.0000 172.2482 30 C 4.9862 7.3434 117.3497 57.7896 30.4653 173.7039 31 R 4.7626 8.6237 122.8956 56.5050 31.1414 176.1156 32 V 4.8092 9.8487 115.2942 59.7844 36.8500 174.1105 33 R 4.7759 8.6048 124.6352 55.5043 31.5070 175.6714 34 V 4.8665 8.7866 119.2309 58.5389 36.4315 173.2111 35 P 4.7049 0.0000 0.0000 62.9900 31.9794 176.0357 36 F 4.3338 8.4706 122.9547 56.9014 41.1468 175.5715 37 G 3.9441 8.3983 118.1198 45.2340 0.0000 172.5937 38 K 4.4589 8.3844 117.7460 56.7236 32.6486 177.1132 39 Q 4.4912 7.0344 123.2609 55.5484 28.5487 177.1304 *41 E 4.4214 8.7548 112.5120 56.6074 30.6062 173.5873 42 R 4.4805 8.1326 117.1422 55.5191 35.2368 174.2360 43 I 4.6237 8.2361 122.6753 60.8820 38.0961 175.2334 44 G 4.5709 9.5820 112.4081 45.2029 0.0000 170.9449 45 I 4.9687 8.4100 120.0851 59.0084 39.8930 176.0655 46 V 3.6800 9.0095 127.9399 63.3100 31.6649 176.8030 47 V 4.0826 8.6526 128.1164 65.2089 32.1382 175.4693 48 S 4.5538 7.4784 110.2038 57.3374 64.8693 173.6008 49 V 4.1841 8.1044 123.5335 61.2852 33.5953 175.9599 *51 D 4.3042 8.4241 128.9460 54.1505 41.6519 175.1812 *53 S 4.1971 7.4814 112.4846 57.7284 64.0193 172.8133 54 E 3.9839 8.9369 127.0773 59.1090 29.4343 177.2982 55 L 4.5331 7.3993 115.8230 52.0366 43.8010 174.3570 56 P 4.2838 0.0000 0.0000 63.4803 31.5112 177.6064 57 L 4.4478 8.4264 120.7563 55.3201 40.6135 176.6632 58 N 4.7112 7.7964 114.7924 54.8517 41.6846 173.5583 59 E 3.9485 7.8049 122.4661 56.1266 30.7251 175.9621 *61 K 3.8431 8.6043 125.7557 57.9379 33.6258 173.8144 62 A 4.1454 9.1511 125.7507 53.1709 19.2040 177.7506 *64 V 4.0987 8.7962 117.3019 60.5451 33.6719 175.2210 65 E 4.8127 8.4664 118.0948 55.1166 34.1609 173.4137 66 V 4.4712 8.2010 122.4972 60.6640 32.1782 176.0181 67 L 4.4424 8.8939 125.3124 55.4729 42.3878 176.8074 68 D 4.7768 7.7442 118.4487 52.4673 44.6107 175.5538 69 S 4.2771 8.8515 118.6118 59.9766 63.7454 173.9527 70 E 4.6791 7.6511 119.3968 52.8558 31.7322 173.3768 71 P 4.4217 0.0000 0.0000 62.6001 31.7538 177.9821 72 V 3.4425 8.5220 122.7836 63.1018 31.7036 176.1036 73 F 4.9534 7.3254 119.1372 55.8631 41.2247 176.2401 74 T 4.3000 8.3491 120.0547 63.4617 70.5007 175.6996 75 H 4.2112 8.8561 120.0293 59.4719 28.6772 177.6781 76 S 4.1135 8.2629 114.4625 61.0425 62.2483 175.7607 77 V 3.6786 7.9458 120.1672 66.1114 31.2735 177.6592 78 W 4.1774 8.7302 127.9488 60.5899 30.5319 177.4295 79 R 3.8438 8.1184 118.3911 59.5899 29.3717 177.8648 80 L 4.0118 8.1981 119.8247 58.3176 42.1217 178.6659 81 L 3.9744 8.5725 118.9975 58.1266 41.7441 179.8036 82 L 3.6709 7.9660 118.9184 57.2877 41.2832 179.1431 83 W 4.0602 8.1657 128.3715 60.3258 30.6144 177.5595 84 A 3.1013 8.6341 120.5021 55.0599 17.7979 179.3633 85 A 3.8914 7.9861 118.9379 55.3660 18.0373 179.4169 86 D 4.0517 7.7263 116.0133 57.6793 41.1646 177.7676 87 Y 3.6307 7.8827 119.5324 60.0959 38.6627 176.6356 88 Y 4.3429 7.5650 114.3476 56.7878 39.5521 175.0927 89 H 3.9150 7.6869 114.6536 57.2344 26.0388 174.4372 90 H 4.9922 8.5956 115.2789 52.5074 32.6966 173.2870 91 P 4.2925 0.0000 0.0000 62.5929 32.2219 177.3282 92 I 3.6463 8.5806 124.4890 64.5695 37.0252 178.1802 93 G 3.5649 8.0735 105.5957 47.8558 0.0000 174.6198 94 D 4.3536 8.2012 120.7238 57.0086 41.0512 178.3628 95 V 3.5639 7.7333 118.2036 66.0532 31.6608 177.7053 96 L 4.0116 8.1198 118.8279 58.1912 41.2937 179.8198 97 F 4.6418 8.1088 116.3459 60.9230 38.9293 177.2989 98 H 4.5317 8.5498 114.9978 58.4667 28.8442 177.3317 99 A 4.2312 8.6153 123.3639 54.6104 18.1414 178.9881 100 L 3.7637 7.9817 118.7038 58.1466 41.8481 177.3504 101 P 4.2465 0.0000 0.0000 65.8459 31.4248 178.2662 102 I 3.8570 7.7073 116.2690 64.3028 37.1437 177.7451 103 L 4.1501 8.1484 118.9539 57.9575 41.6628 177.4267 104 L 4.1455 8.0001 121.5594 55.0279 41.5314 177.0052 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 8.29 4.47 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 P 0.00 4.15 0.00 2.25 2.14 0.00 3.76 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 1.99 2.05 0.00 3 V 7.88 3.83 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 0.70 0.00 0.00 0.95 0.00 0.00 4 A 8.33 4.50 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 5 H 8.66 4.63 0.00 3.19 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.19 4.34 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 0.81 0.00 0.00 0.93 0.00 0.00 7 A 8.40 4.54 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 8 L 8.06 4.73 0.00 1.59 1.53 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.01 0.00 2.02 2.03 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 10 V 7.17 3.34 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 0.69 0.00 0.00 0.88 0.00 0.00 11 P 0.00 4.36 0.00 2.03 1.42 0.00 3.72 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 1.99 2.07 0.00 *13 P 0.00 4.00 0.00 2.03 2.02 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 14 R 8.17 4.05 0.00 1.72 1.75 0.00 3.02 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 15 T 8.02 4.52 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 1.25 0.00 0.00 16 F 8.74 4.80 0.00 3.36 3.32 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 17 D 8.62 5.06 0.00 2.64 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 18 Y 8.32 4.96 0.00 2.79 2.76 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 19 L 8.15 4.28 0.00 1.72 1.61 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.74 4.18 0.00 1.61 1.10 0.94 1.00 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 *22 E 9.41 3.86 0.00 1.96 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 2.20 2.32 0.00 23 G 9.16 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 24 M 7.67 4.58 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 25 T 8.28 4.72 4.24 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 1.21 0.00 0.00 26 V 8.06 4.56 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 0.79 0.00 0.00 0.94 0.00 0.00 27 K 8.14 4.59 0.00 1.80 1.82 0.00 1.43 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.30 7.81 28 A 8.26 3.75 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 29 G 8.26 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 7.34 4.99 0.00 2.95 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 31 R 8.62 4.76 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 32 V 9.85 4.81 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 0.83 0.00 0.00 0.98 0.00 0.00 33 R 8.60 4.78 0.00 1.89 1.78 0.00 3.02 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 34 V 8.79 4.87 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 0.58 0.00 0.00 0.46 0.00 0.00 35 P 0.00 4.70 0.00 2.22 2.15 0.00 3.81 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 2.53 2.22 0.00 36 F 8.47 4.33 0.00 3.03 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 37 G 8.40 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 0.00 0.00 0.00 38 K 8.38 4.46 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 39 Q 7.03 4.49 0.00 2.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.28 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 *41 E 8.75 4.42 0.00 1.90 1.89 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 2.22 2.30 0.00 42 R 8.13 4.48 0.00 1.59 1.52 0.00 2.44 0.00 0.00 2.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 43 I 8.24 4.62 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.97 0.00 0.00 44 G 9.58 4.57 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 45 I 8.41 4.97 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 1.13 0.00 0.00 46 V 9.01 3.68 2.05 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 0.94 0.00 0.00 1.01 0.00 0.00 47 V 8.65 4.08 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 0.95 0.00 0.00 1.11 0.00 0.00 48 S 7.48 4.55 0.00 3.89 3.72 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 49 V 8.10 4.18 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 0.92 0.00 0.00 1.00 0.00 0.00 *51 D 8.42 4.30 0.00 2.74 2.69 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 0.00 0.00 0.00 *53 S 7.48 4.20 0.00 3.85 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 54 E 8.94 3.98 0.00 1.94 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 2.27 2.32 0.00 55 L 7.40 4.53 0.00 1.61 1.55 0.88 0.97 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 56 P 0.00 4.28 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 57 L 8.43 4.45 0.00 1.61 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.80 4.71 0.00 2.57 2.66 0.00 0.00 6.99 7.62 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 59 E 7.80 3.95 0.00 2.00 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 0.00 2.26 2.32 0.00 *61 K 8.60 3.84 0.00 1.25 1.95 0.00 1.49 0.00 0.00 1.92 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.36 7.81 62 A 9.15 4.15 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 *64 V 8.80 4.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.07 0.00 0.00 65 E 8.47 4.81 0.00 2.06 1.73 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 2.22 2.26 0.00 66 V 8.20 4.47 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 0.78 0.00 0.00 0.97 0.00 0.00 67 L 8.89 4.44 0.00 1.65 1.76 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.74 4.78 0.00 2.59 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 69 S 8.85 4.28 0.00 3.97 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 70 E 7.65 4.68 0.00 1.88 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 2.17 2.33 0.00 71 P 0.00 4.42 0.00 2.24 1.93 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 72 V 8.52 3.44 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 0.41 0.00 0.00 0.64 0.00 0.00 73 F 7.33 4.95 0.00 2.84 3.18 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 74 T 8.35 4.30 4.45 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 1.33 0.00 0.00 75 H 8.86 4.21 0.00 3.27 3.44 0.00 5.82 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 76 S 8.26 4.11 0.00 3.94 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 77 V 7.95 3.68 2.55 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 1.25 0.00 0.00 1.05 0.00 0.00 78 W 8.73 4.18 0.00 3.44 3.25 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 79 R 8.12 3.84 0.00 2.17 2.15 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 L 8.20 4.01 0.00 1.87 1.97 1.03 1.19 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 81 L 8.57 3.97 0.00 1.67 1.52 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.97 3.67 0.00 1.35 1.42 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.17 4.06 0.00 3.42 3.44 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 84 A 8.63 3.10 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 85 A 7.99 3.89 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 86 D 7.73 4.05 0.00 2.67 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 87 Y 7.88 3.63 0.00 1.61 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 88 Y 7.57 4.34 0.00 2.98 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 89 H 7.69 3.92 0.00 3.17 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.60 4.99 0.00 3.03 3.12 0.00 5.66 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 91 P 0.00 4.29 0.00 2.19 2.02 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 92 I 8.58 3.65 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.67 0.00 0.00 93 G 8.07 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.20 4.35 0.00 2.76 2.87 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 95 V 7.73 3.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 96 L 8.12 4.01 0.00 1.48 1.53 0.77 0.49 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 97 F 8.11 4.64 0.00 3.12 3.12 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 98 H 8.55 4.53 0.00 3.29 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.62 4.23 1.57 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 0.00 100 L 7.98 3.76 0.00 2.14 1.79 0.37 0.89 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 0.00 101 P 0.00 4.25 0.00 2.08 2.12 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 102 I 7.71 3.86 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.35 0.94 0.00 0.00 103 L 8.15 4.15 0.00 1.80 1.72 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.00 4.15 0.00 1.60 1.56 0.88 0.93 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 * Residues marked with a * may have inaccurate shift predictions.