NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3122 8.4449 116.7514 55.2982 32.1883 176.8421 3 F 4.7485 7.7396 116.6365 55.7182 40.9731 174.8144 4 K 4.0669 8.3072 129.5352 59.7022 33.2071 179.6120 5 K 4.1762 8.0847 120.5831 59.3900 32.1368 178.9289 6 V 3.6692 7.8466 117.8755 65.6016 31.5715 177.7156 7 A 4.0198 7.9475 120.4118 54.9353 18.1835 179.6777 8 K 3.9185 8.1119 116.9622 59.9191 32.2485 179.5918 9 E 4.0626 8.1461 118.1900 59.4712 29.3276 179.7483 10 T 3.8907 8.0601 116.0420 66.4439 68.4686 176.7471 11 A 4.0436 8.1260 122.7429 55.0488 18.3720 179.7041 12 I 3.6554 7.7515 118.3081 65.0271 37.2160 178.7300 13 T 3.9267 7.8784 116.4206 66.7641 68.3397 176.6761 14 L 4.1329 8.0626 120.8221 57.4900 41.6257 179.3018 15 Q 4.0197 8.3617 120.1131 59.1279 28.9442 178.3465 16 S 4.6335 8.0897 117.5108 61.4690 62.9713 175.9341 17 Y 4.0508 8.2350 122.1653 60.9235 38.4825 178.3151 18 L 4.0779 8.1288 119.5315 57.8688 41.7414 179.4775 19 T 3.9667 7.8791 115.9277 66.7588 68.3229 176.0011 20 Y 3.9895 8.0786 121.6669 60.3862 38.7679 177.3605 21 Q 3.4180 7.8014 120.2433 58.1654 29.0890 177.5584 22 A 3.8479 8.1642 122.5935 55.2396 18.4683 179.5511 23 V 3.5543 7.7463 116.2561 66.0977 31.5956 178.3803 24 R 3.6626 7.5943 118.2466 59.2707 29.9611 178.0098 25 L 3.8847 7.6398 120.1436 58.5566 41.9604 179.1510 26 I 3.8245 7.8162 119.3339 64.0992 36.9687 178.6927 27 S 4.1390 7.9728 116.4424 61.6253 62.4421 176.6063 28 Q 4.0008 7.7358 119.3606 58.9635 28.7856 178.5007 29 Q 4.1510 8.0573 118.9723 59.2139 28.7520 179.1680 30 L 4.0713 8.1378 120.0482 57.6529 41.3907 179.6421 31 S 4.1661 8.0853 113.2147 60.5445 63.0051 175.3449 32 E 4.4488 7.8894 119.9078 56.6167 30.0401 176.1108 33 T 4.4159 7.6419 112.8079 64.6387 71.1311 174.4999 34 N 4.9650 8.1463 119.6246 50.8002 38.7781 171.3890 35 P 4.6034 0.0000 0.0000 63.5756 32.8755 176.5145 36 G 4.2313 8.9549 108.6890 46.3005 0.0000 175.5192 37 Q 3.9950 8.0603 119.5237 59.0991 28.6081 178.1788 38 A 4.1137 8.0812 121.3704 55.0866 18.3912 179.5651 39 I 3.7964 7.7527 117.9731 64.0069 37.3830 177.7827 40 W 4.2460 8.2055 129.3788 60.8410 30.2389 177.8259 41 L 4.1684 8.2817 118.5630 57.8844 41.6465 178.8780 42 G 3.7575 7.8142 105.5657 47.5333 0.0000 175.2527 43 E 3.8746 8.2733 122.1008 59.1391 29.4119 178.8290 44 F 3.7374 7.9881 120.5444 61.1837 39.1651 177.1693 45 S 4.5542 7.7968 113.1609 61.0296 62.6666 176.1855 46 K 4.0527 7.9245 121.1572 59.0877 32.0342 178.7665 47 R 3.9843 7.4273 118.7300 57.9855 30.1271 176.7779 48 H 4.6420 7.2025 115.2182 53.0757 31.6195 171.2553 49 P 4.3763 0.0000 0.0000 62.2147 31.6128 177.1900 50 I 3.2586 8.1783 123.5628 62.8425 38.0396 176.6839 51 Q 4.0880 7.9184 117.9754 58.5494 29.0420 176.4462 52 E 4.4652 7.6123 118.5632 54.1709 28.4663 176.2791 53 S 4.1499 8.4142 119.3106 62.1095 63.2616 175.9258 54 D 4.5084 8.2700 122.9523 57.7570 40.6128 179.2373 55 L 4.0382 7.9896 122.4409 59.7403 40.7412 180.2903 56 Y 4.4555 7.8292 119.2907 61.0342 38.7423 178.3368 57 L 4.1297 8.0131 118.1995 57.6764 41.7902 178.8172 58 E 4.1924 8.2837 118.4725 58.3932 30.7718 178.2906 59 A 4.2509 7.7544 121.4337 51.7550 15.5770 176.8728 *62 L 4.3107 7.8009 120.9405 53.6739 44.1474 177.7107 63 E 4.6130 7.9350 115.9707 57.2030 32.0261 176.0634 64 N 4.6062 7.4722 113.6776 51.0793 40.6206 174.1016 65 K 3.9025 8.3318 125.3134 59.9595 32.6391 178.8187 66 E 3.9871 8.0301 117.6999 60.8138 29.5892 180.6167 67 L 4.1133 7.7398 120.3530 57.9790 42.1405 178.8821 68 V 3.5630 7.6873 117.7262 66.3187 31.3111 177.7600 69 L 3.9585 7.6978 117.9653 57.7389 41.3295 179.5995 70 R 3.8840 7.7424 118.1433 59.6044 30.0369 178.7150 71 I 3.7372 7.7747 119.5416 64.3674 37.0078 178.4734 72 L 4.0465 8.2350 119.9997 57.7554 41.3310 179.8020 73 T 4.0171 7.6818 115.9850 66.6586 68.6117 177.3065 74 V 3.6238 7.9697 120.5061 65.8283 31.4446 178.2266 75 R 3.9943 8.2679 116.1765 58.9475 29.4126 178.4879 76 E 3.9129 7.8604 118.6964 59.3144 29.6877 178.6116 77 N 4.4049 8.3578 116.5368 56.2151 38.4058 177.4983 78 L 4.0100 8.0833 120.3863 57.5462 41.7443 179.1367 79 A 4.0675 8.2334 120.9337 55.5116 18.1042 179.6409 80 E 4.1188 8.0736 115.8229 59.2610 29.6533 179.3283 81 G 3.8446 8.1434 104.3331 46.1060 0.0000 174.4796 82 V 4.3369 7.5114 118.5299 64.5474 33.3344 177.0441 83 L 4.0290 7.8106 118.4936 58.3892 41.3508 179.5362 84 E 4.0938 8.1721 115.6661 58.5726 29.4305 178.4827 85 F 4.3480 8.2706 117.4101 59.2905 38.9010 177.7442 86 L 4.0250 7.6321 118.5158 57.2858 41.3515 177.1820 87 P 4.4784 0.0000 0.0000 65.4659 31.1524 178.7903 88 E 4.0632 7.5563 114.5135 56.9749 28.9961 178.9095 *90 V 4.0084 7.8499 121.3483 62.8564 33.5848 177.2816 91 L 4.0062 7.6573 120.7118 57.7267 41.9224 178.5390 92 S 4.3096 7.9063 112.6759 60.5360 62.5152 176.1174 93 Q 4.0164 7.9498 120.5325 58.9136 28.4517 178.5247 94 I 3.7202 7.8630 120.8553 64.2792 37.1211 178.5879 95 K 3.9488 7.9375 118.9958 59.5430 31.8627 179.2072 96 Q 3.9515 8.0331 119.5025 58.9347 28.9884 178.1024 97 S 3.9666 8.2253 114.2655 61.4463 62.5976 175.5166 98 N 4.3992 8.5098 119.7945 56.6870 38.4549 177.5840 99 G 3.6086 8.2508 106.7406 47.8751 0.0000 175.5827 100 N 4.4191 7.9423 118.3918 56.2020 38.5564 177.2722 101 H 4.4211 8.2633 117.6940 58.6655 28.8001 178.0084 102 R 4.0303 8.0370 119.6529 58.9050 29.8605 179.2590 103 R 4.0031 7.8032 117.8228 59.0071 29.9960 178.7776 104 S 4.1299 8.2356 113.2627 60.7243 62.2737 175.5204 105 L 4.3118 7.9820 121.3606 57.0490 40.6527 178.7500 106 L 4.0102 7.5572 119.8696 57.4586 41.5903 178.3432 107 E 4.1025 7.7694 117.5930 59.8658 29.5795 179.4624 108 R 4.1714 7.2244 115.7460 58.1580 30.3475 177.2146 109 L 4.2918 7.4976 123.1465 55.0032 41.7618 176.6352 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 E 8.44 4.31 0.00 2.01 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 2.13 1.91 0.00 3 F 7.74 4.75 0.00 3.18 2.88 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 4 K 8.31 4.07 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 5 K 8.08 4.18 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.58 7.81 6 V 7.85 3.67 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 0.91 0.00 0.00 0.92 0.00 0.00 7 A 7.95 4.02 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 8 K 8.11 3.92 0.00 2.14 1.88 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 9 E 8.15 4.06 0.00 2.05 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 2.34 2.56 0.00 10 T 8.06 3.89 4.28 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 1.19 0.00 0.00 11 A 8.13 4.04 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 12 I 7.75 3.66 1.89 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 1.54 0.60 0.93 0.00 0.00 13 T 7.88 3.93 4.38 0.00 0.00 0.00 0.00 0.00 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 14 L 8.06 4.13 0.00 1.99 1.77 0.94 0.52 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 15 Q 8.36 4.02 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 16 S 8.09 4.63 0.00 4.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.05 0.00 3.22 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 18 L 8.13 4.08 0.00 1.83 1.73 0.99 0.70 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 19 T 7.88 3.97 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 1.28 0.00 0.00 20 Y 8.08 3.99 0.00 2.91 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 21 Q 7.80 3.42 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 22 A 8.16 3.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.55 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 1.07 0.00 0.00 1.17 0.00 0.00 24 R 7.59 3.66 0.00 1.51 1.72 0.00 2.65 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 25 L 7.64 3.88 0.00 1.74 1.79 0.89 1.15 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 26 I 7.82 3.82 1.99 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 1.51 0.39 0.92 0.00 0.00 27 S 7.97 4.14 0.00 4.03 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 28 Q 7.74 4.00 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 29 Q 8.06 4.15 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 30 L 8.14 4.07 0.00 1.90 1.74 0.95 0.68 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 31 S 8.09 4.17 0.00 4.05 4.11 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 32 E 7.89 4.45 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 2.27 2.32 0.00 33 T 7.64 4.42 4.36 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 1.20 0.00 0.00 34 N 8.15 4.97 0.00 2.65 2.62 0.00 0.00 7.07 8.01 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 35 P 0.00 4.60 0.00 2.23 2.21 0.00 3.83 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 1.99 1.97 0.00 36 G 8.95 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 0.00 0.00 0.00 0.00 37 Q 8.06 4.00 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 38 A 8.08 4.11 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 39 I 7.75 3.80 1.94 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 1.56 0.47 0.97 0.00 0.00 40 W 8.21 4.25 0.00 3.55 3.45 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 L 8.28 4.17 0.00 2.05 2.07 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.81 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 43 E 8.27 3.87 0.00 2.19 1.82 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 2.27 2.30 0.00 44 F 7.99 3.74 0.00 2.05 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 45 S 7.80 4.55 0.00 4.10 4.04 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 0.00 0.00 0.00 46 K 7.92 4.05 0.00 1.83 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.51 7.81 47 R 7.43 3.98 0.00 1.31 1.58 0.00 2.99 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 48 H 7.20 4.64 0.00 2.71 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.38 0.00 2.27 2.17 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 50 I 8.18 3.26 1.39 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.30 0.79 0.00 0.00 51 Q 7.92 4.09 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 52 E 7.61 4.47 0.00 2.06 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 0.00 2.27 2.43 0.00 53 S 8.41 4.15 0.00 3.90 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 54 D 8.27 4.51 0.00 2.73 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 55 L 7.99 4.04 0.00 1.65 1.68 0.92 0.73 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 56 Y 7.83 4.46 0.00 2.93 3.31 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 57 L 8.01 4.13 0.00 1.77 1.77 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.28 4.19 0.00 2.17 2.17 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 2.35 2.40 0.00 59 A 7.75 4.25 1.24 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 0.00 0.00 *62 L 7.80 4.31 0.00 1.90 1.83 0.94 1.02 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 63 E 7.94 4.61 0.00 2.19 2.28 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 2.36 2.44 0.00 64 N 7.47 4.61 0.00 1.90 2.24 0.00 0.00 7.23 6.11 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 65 K 8.33 3.90 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.47 7.81 66 E 8.03 3.99 0.00 1.97 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 2.31 1.94 0.00 67 L 7.74 4.11 0.00 1.76 1.67 0.89 1.00 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 68 V 7.69 3.56 2.17 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 1.09 0.00 0.00 0.92 0.00 0.00 69 L 7.70 3.96 0.00 1.84 1.70 0.90 1.12 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 70 R 7.74 3.88 0.00 2.05 2.10 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 71 I 7.77 3.74 2.08 0.00 0.00 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 1.57 0.57 0.98 0.00 0.00 72 L 8.23 4.05 0.00 1.69 1.73 0.93 0.69 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 73 T 7.68 4.02 4.41 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 1.21 0.00 0.00 74 V 7.97 3.62 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 1.03 0.00 0.00 0.96 0.00 0.00 75 R 8.27 3.99 0.00 2.09 2.22 0.00 2.86 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 76 E 7.86 3.91 0.00 2.29 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 0.00 2.32 2.37 0.00 77 N 8.36 4.40 0.00 2.78 2.86 0.00 0.00 7.08 6.30 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 78 L 8.08 4.01 0.00 1.88 1.73 0.88 0.80 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 79 A 8.23 4.07 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 80 E 8.07 4.12 0.00 2.15 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 0.00 2.37 2.49 0.00 81 G 8.14 3.84 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 82 V 7.51 4.34 2.29 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 1.15 0.00 0.00 1.02 0.00 0.00 83 L 7.81 4.03 0.00 2.06 1.78 0.98 1.05 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 84 E 8.17 4.09 0.00 1.73 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 2.31 2.29 0.00 85 F 8.27 4.35 0.00 3.33 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 86 L 7.63 4.03 0.00 1.94 1.77 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.48 0.00 2.15 2.10 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 88 E 7.56 4.06 0.00 1.91 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 2.35 2.26 0.00 *90 V 7.85 4.01 2.17 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 0.94 0.00 0.00 0.92 0.00 0.00 91 L 7.66 4.01 0.00 1.88 1.87 0.92 0.57 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 92 S 7.91 4.31 0.00 3.90 4.03 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 93 Q 7.95 4.02 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 7.86 3.72 1.93 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 1.50 0.80 0.90 0.00 0.00 95 K 7.94 3.95 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 96 Q 8.03 3.95 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 97 S 8.23 3.97 0.00 3.90 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 98 N 8.51 4.40 0.00 3.10 2.88 0.00 0.00 6.98 7.30 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 99 G 8.25 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 0.00 100 N 7.94 4.42 0.00 2.77 2.79 0.00 0.00 7.03 8.92 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 0.00 101 H 8.26 4.42 0.00 3.21 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.04 4.03 0.00 2.14 1.98 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 103 R 7.80 4.00 0.00 2.04 1.96 0.00 3.12 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 1.64 1.63 0.00 104 S 8.24 4.13 0.00 3.97 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 0.00 105 L 7.98 4.31 0.00 1.97 2.04 0.92 0.52 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 0.00 106 L 7.56 4.01 0.00 1.68 1.77 0.96 0.91 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 0.00 107 E 7.77 4.10 0.00 2.14 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 2.38 0.00 108 R 7.22 4.17 0.00 1.90 1.98 0.00 3.17 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 109 L 7.50 4.29 0.00 1.58 1.59 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.