NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4565 8.4345 116.8269 58.2368 64.3634 173.9862 3 S 4.3195 8.3387 118.8747 57.3643 62.9703 175.5729 4 S 4.3088 8.8848 116.5964 61.7808 62.9247 176.2210 5 G 3.9747 7.9209 105.4461 46.2639 0.0000 173.7558 6 T 4.2111 7.5769 118.4598 63.6269 69.5273 173.6643 7 S 5.1452 8.3961 119.0036 57.0351 65.7424 172.9204 8 I 4.9205 9.1387 118.3123 59.7114 41.0751 174.1583 9 T 5.4193 8.5437 119.0116 62.5665 72.7584 172.4560 10 C 4.7749 8.9771 118.3148 57.4693 33.8284 172.0882 11 E 5.0867 8.5772 117.9614 54.5647 31.9111 176.0883 12 V 4.3793 8.6869 122.7770 60.8493 35.2529 174.7069 13 G 4.0501 8.7293 115.0187 46.3520 0.0000 172.5167 14 L 5.2300 9.1628 125.7823 53.6388 47.0636 175.8875 15 Q 4.9572 8.7810 119.5754 53.8992 32.5211 174.2463 16 L 4.2970 8.8776 128.7518 53.6710 43.2367 175.8987 17 I 4.0890 8.1402 130.1973 60.1261 36.3934 173.0656 *21 R 4.1265 8.4429 124.7105 55.4019 30.8838 170.8526 22 A 4.7319 7.9011 116.2627 51.3104 21.9152 174.4940 23 P 4.4161 0.0000 0.0000 62.8043 32.0769 175.8304 24 V 4.4562 8.0349 122.0703 60.3155 33.6563 172.9413 25 P 5.0398 0.0000 0.0000 62.9364 32.3341 175.4254 26 L 4.6535 8.8085 120.8680 54.8176 44.1678 173.9566 27 V 4.7355 8.2831 119.8370 60.0256 33.3703 174.6361 28 A 4.8929 8.8658 126.4555 50.0795 22.0740 175.1908 29 R 4.6896 9.1616 122.7110 54.8314 31.7518 174.9035 30 L 5.0445 8.3990 127.6267 53.5261 43.6697 175.6518 31 D 5.4892 8.6527 121.0633 52.3273 43.5350 173.4261 32 Y 4.9930 9.3756 120.7547 55.9946 42.5644 173.8227 33 S 4.8119 7.5482 119.5606 56.2542 65.2600 175.2181 34 V 3.1930 8.4404 120.4252 64.2365 31.4053 177.4644 35 D 4.4796 7.5583 118.7297 56.2894 41.4808 175.8777 36 D 4.8227 7.8425 118.7653 51.9611 40.8445 174.3258 37 P 4.3391 0.0000 0.0000 64.6076 32.2010 177.3025 38 Y 4.7299 7.9650 115.3053 58.2110 39.1008 174.8712 39 A 5.3774 8.0648 121.0754 50.2999 21.9518 176.2767 40 I 4.8550 8.7587 119.8823 59.6911 41.4140 175.1053 41 R 4.8449 8.8566 125.1449 54.9019 32.4883 175.2965 42 A 5.0446 9.1512 123.3033 50.1465 22.4659 174.9403 43 A 4.6951 8.6226 123.8756 50.0682 22.8503 174.9689 44 F 5.0053 7.5075 115.4093 56.6258 41.9004 172.6131 45 H 5.2237 8.5610 115.3992 55.0173 31.0070 173.8158 46 V 4.4069 7.8845 117.9322 60.1960 35.7659 175.3417 47 G 3.6629 9.4567 120.7084 44.9010 0.0000 174.7566 *49 D 4.3123 8.9710 126.2354 53.0139 41.4811 178.3522 50 E 4.3638 8.5720 120.7611 54.0035 30.4172 171.5244 51 P 4.8457 0.0000 0.0000 64.0061 32.5106 176.3473 52 V 4.3420 8.1837 119.8784 60.1460 34.9779 173.3377 53 E 4.7728 8.6743 124.7533 54.3203 31.2009 174.7151 54 W 5.1671 9.2299 127.1158 55.1807 32.1629 175.0621 55 I 4.8656 8.3600 123.1661 59.4987 39.7590 174.6256 56 F 5.2044 8.2896 120.5434 54.7046 42.5096 173.8325 57 A 4.6299 8.8743 122.1469 52.3304 19.0727 178.1465 58 R 4.1312 9.6315 124.5885 59.8462 30.1495 178.7490 59 E 4.2038 8.4662 116.4186 59.2783 29.3869 178.6771 60 L 3.9891 7.8558 121.2378 57.8953 42.1098 178.6485 61 L 3.9562 8.0288 120.2137 58.2731 42.4071 178.9284 62 T 3.9765 8.0014 115.3233 66.6692 68.3886 176.6510 63 V 3.6554 8.1698 120.3088 65.9600 31.4289 178.3834 64 G 3.9451 8.1446 104.2727 48.6094 0.0000 175.3823 65 I 3.9103 7.5411 120.8255 63.7398 37.1015 177.7830 66 I 4.2080 6.9132 118.6780 62.2194 37.9763 175.9170 67 R 4.6596 7.8227 114.2121 54.2458 32.3870 173.5212 68 E 4.5435 8.6710 120.2434 57.4676 30.2600 175.6504 69 T 4.6145 8.8082 120.5990 61.5146 71.7382 171.7035 70 G 4.2901 8.2042 108.5368 46.3130 0.0000 173.1559 71 E 4.5812 8.4256 121.2589 55.3666 33.4759 176.5466 72 G 3.9596 8.7960 117.7500 47.1572 0.0000 174.3574 73 D 4.5479 8.9610 126.3498 56.2623 42.6053 176.2577 74 V 3.9295 7.6065 118.7778 62.8649 33.1299 175.6538 75 R 5.0697 8.3693 123.0415 54.9005 34.3363 173.9922 76 I 5.3325 8.8426 125.0506 59.3306 40.5725 174.7437 77 W 5.5645 8.7556 122.4031 54.6664 31.6566 172.4585 78 P 4.9898 0.0000 0.0000 62.8650 32.3592 174.7006 79 S 4.6417 8.1955 113.3305 57.9645 65.4060 173.5689 80 Q 4.8803 8.3555 121.6822 55.4325 30.9613 175.3222 81 D 4.5909 8.8842 119.5087 54.7819 47.3800 177.2581 *84 E 4.1569 7.9653 113.8753 55.9708 31.3333 179.3378 85 R 4.6146 8.1112 122.3507 54.5017 32.6266 175.4495 *87 V 3.9465 8.0384 119.0852 62.9312 33.1768 173.5736 88 N 5.2119 8.4750 124.1793 51.2520 41.4508 173.3876 89 I 4.8440 8.3805 123.6961 59.6696 41.0192 175.1464 90 A 5.0889 8.9482 127.6276 50.3955 20.1911 175.0721 91 L 4.2905 8.3461 122.2625 55.0611 43.2508 175.8288 92 S 4.8721 7.6330 118.2703 58.0970 65.7458 173.4938 93 S 4.4229 8.5726 119.2577 58.7351 69.0065 176.2923 *99 R 4.3584 7.6090 119.3872 56.2343 31.3775 174.8340 100 F 5.0059 9.5414 123.7328 55.8302 42.2143 174.6608 101 H 5.2928 9.1077 121.0768 54.4835 32.5139 172.0680 102 A 4.9361 8.5314 126.2454 50.1593 22.5047 175.7525 103 Q 4.1957 8.4946 118.2983 55.7871 29.8419 177.7849 104 V 3.7143 8.4561 120.7784 65.7770 31.4782 178.1371 105 A 3.9756 8.0907 120.2072 55.2150 18.0878 177.7508 106 P 4.2135 0.0000 0.0000 65.5542 31.4344 178.9252 107 L 4.0488 7.8667 117.3583 57.7999 41.6177 179.1862 108 S 4.1354 8.6583 113.3375 61.4955 62.3168 175.7542 109 E 3.9553 8.4343 122.0394 59.2873 29.3650 178.5349 110 F 4.1144 8.3322 120.5537 61.3573 39.4258 176.9883 111 L 3.6577 8.4513 119.0168 57.9218 41.4305 178.9170 112 H 4.1913 8.6794 118.5014 59.5087 29.8364 177.3858 113 R 3.8236 8.0238 119.9990 59.3897 29.7610 179.1616 114 T 3.1497 7.1926 109.4173 64.8085 68.4106 176.2990 115 Y 4.4936 7.4988 120.8730 59.8795 37.5279 178.3080 116 E 4.0279 7.7585 119.3073 59.1089 29.5698 179.0402 117 L 4.3592 7.3869 117.6969 56.2921 42.2426 177.7692 118 V 4.1986 7.8628 122.0224 59.8641 32.7313 172.7448 119 P 4.6587 0.0000 0.0000 61.2823 31.9426 176.2016 120 A 4.5350 8.4847 124.3534 54.1317 18.5246 178.1980 121 G 4.0895 9.7229 112.3036 45.4002 0.0000 174.0073 122 Q 4.6952 8.1173 117.8135 55.6560 29.5667 177.4118 123 E 3.9795 8.1582 120.9146 59.4282 29.8448 179.2411 124 S 4.2258 8.3959 114.8506 62.0459 62.8699 176.3542 125 D 4.2772 7.8853 120.9673 57.5153 40.4553 178.3834 126 Y 4.0322 8.0247 117.0550 60.4665 37.8287 178.1486 127 I 3.7615 7.6801 120.5694 64.5194 37.3319 177.7598 128 D 4.3788 8.4458 120.1208 57.5678 40.5348 179.1738 129 I 3.8211 7.6557 119.8407 64.4694 37.2111 178.0959 130 D 4.3552 8.1509 119.5434 57.4389 40.7299 178.8628 131 A 4.0337 8.3578 121.4505 55.2478 18.1611 179.5868 132 E 3.9885 8.1026 116.2130 59.4125 29.7730 179.4059 133 I 3.8691 8.1383 119.9782 64.4216 37.2692 178.1855 134 A 4.0280 7.8492 121.0611 55.4317 17.9309 179.5257 135 E 4.0196 8.0895 115.6554 58.7722 29.5745 178.1008 136 H 4.7768 7.6646 113.8751 55.3476 29.3635 174.8176 137 L 4.1948 7.6044 126.3144 55.0377 41.4780 176.7193 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 S 8.43 4.46 0.00 3.98 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 3 S 8.34 4.32 0.00 3.74 3.74 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 4 S 8.88 4.31 0.00 3.62 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 5 G 7.92 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 6 T 7.58 4.21 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 7 S 8.40 5.15 0.00 3.80 3.67 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 0.00 0.00 0.00 0.00 8 I 9.14 4.92 1.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.91 0.00 0.00 9 T 8.54 5.42 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 1.25 0.00 0.00 10 C 8.98 4.77 0.00 2.93 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 11 E 8.58 5.09 0.00 1.80 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 2.15 2.22 0.00 12 V 8.69 4.38 1.98 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 0.99 0.00 0.00 0.82 0.00 0.00 13 G 8.73 4.05 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 0.00 0.00 0.00 14 L 9.16 5.23 0.00 1.69 1.51 0.52 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.78 4.96 0.00 1.70 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 16 L 8.88 4.30 0.00 1.53 1.46 0.26 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.14 4.09 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 1.09 0.84 0.91 0.00 0.00 *21 R 8.44 4.13 0.00 1.85 1.82 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 22 A 7.90 4.73 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 23 P 0.00 4.42 0.00 2.16 2.03 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 24 V 8.03 4.46 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 1.06 0.00 0.00 0.94 0.00 0.00 25 P 0.00 5.04 0.00 2.10 2.02 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 26 L 8.81 4.65 0.00 1.70 1.73 0.64 0.70 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 27 V 8.28 4.74 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 0.67 0.00 0.00 0.93 0.00 0.00 28 A 8.87 4.89 1.12 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 0.00 0.00 29 R 9.16 4.69 0.00 1.79 1.73 0.00 3.04 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 30 L 8.40 5.04 0.00 0.68 0.83 0.59 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.65 5.49 0.00 2.93 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 32 Y 9.38 4.99 0.00 3.08 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 33 S 7.55 4.81 0.00 3.76 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 34 V 8.44 3.19 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 0.63 0.00 0.00 0.98 0.00 0.00 35 D 7.56 4.48 0.00 2.54 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 36 D 7.84 4.82 0.00 2.50 2.30 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 37 P 0.00 4.34 0.00 1.91 2.05 0.00 3.40 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 38 Y 7.96 4.73 0.00 2.96 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 39 A 8.06 5.38 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 40 I 8.76 4.86 2.01 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 1.03 0.00 0.00 41 R 8.86 4.84 0.00 1.87 1.72 0.00 3.01 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 42 A 9.15 5.04 1.12 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 0.00 0.00 43 A 8.62 4.70 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.51 5.01 0.00 2.92 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 45 H 8.56 5.22 0.00 3.26 3.23 0.00 5.47 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.88 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 47 G 9.46 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 *49 D 8.97 4.31 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 50 E 8.57 4.36 0.00 1.98 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 2.23 1.91 0.00 51 P 0.00 4.85 0.00 1.82 1.93 0.00 3.55 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 1.93 1.91 0.00 52 V 8.18 4.34 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 0.15 0.00 0.00 0.97 0.00 0.00 53 E 8.67 4.77 0.00 1.85 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 2.11 2.18 0.00 54 W 9.23 5.17 0.00 3.29 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 55 I 8.36 4.87 1.87 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 1.33 0.59 0.93 0.00 0.00 56 F 8.29 5.20 0.00 3.11 3.21 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 57 A 8.87 4.63 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 58 R 9.63 4.13 0.00 1.99 2.20 0.00 2.21 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 59 E 8.47 4.20 0.00 2.40 2.38 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 2.47 2.55 0.00 60 L 7.86 3.99 0.00 1.90 1.78 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.03 3.96 0.00 1.91 1.91 0.91 0.97 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 62 T 8.00 3.98 4.52 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 1.27 0.00 0.00 63 V 8.17 3.66 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 1.12 0.00 0.00 1.08 0.00 0.00 64 G 8.14 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 65 I 7.54 3.91 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.93 0.00 0.00 66 I 6.91 4.21 2.01 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 1.78 0.80 0.93 0.00 0.00 67 R 7.82 4.66 0.00 1.95 2.01 0.00 2.80 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 68 E 8.67 4.54 0.00 2.06 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 2.26 0.00 69 T 8.81 4.61 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 1.32 0.00 0.00 70 G 8.20 4.29 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 0.00 71 E 8.43 4.58 0.00 2.01 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 2.21 2.26 0.00 72 G 8.80 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 0.00 0.00 0.00 73 D 8.96 4.55 0.00 2.55 2.62 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 74 V 7.61 3.93 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 0.79 0.00 0.00 0.87 0.00 0.00 75 R 8.37 5.07 0.00 1.94 2.02 0.00 3.21 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 76 I 8.84 5.33 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.87 0.00 0.00 77 W 8.76 5.56 0.00 3.36 3.21 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 78 P 0.00 4.99 0.00 2.14 2.32 0.00 4.02 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 2.07 2.08 0.00 79 S 8.20 4.64 0.00 4.04 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 80 Q 8.36 4.88 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 81 D 8.88 4.59 0.00 2.64 2.50 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 0.00 0.00 0.00 0.00 *84 E 7.97 4.16 0.00 1.91 1.91 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 2.21 1.91 0.00 85 R 8.11 4.61 0.00 1.72 1.86 0.00 3.29 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 *87 V 8.04 3.95 1.99 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 0.88 0.00 0.00 0.89 0.00 0.00 88 N 8.47 5.21 0.00 1.44 1.42 0.00 0.00 6.61 7.78 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 89 I 8.38 4.84 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 1.13 0.00 0.00 90 A 8.95 5.09 1.55 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 0.00 0.00 91 L 8.35 4.29 0.00 0.64 1.31 0.48 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.63 4.87 0.00 3.92 3.71 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 93 S 8.57 4.42 0.00 3.56 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 *99 R 7.61 4.36 0.00 1.82 1.86 0.00 3.13 0.00 0.00 3.44 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 100 F 9.54 5.01 0.00 2.96 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 0.00 101 H 9.11 5.29 0.00 3.11 3.06 0.00 5.74 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 0.00 102 A 8.53 4.94 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 0.00 103 Q 8.49 4.20 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 104 V 8.46 3.71 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 1.02 0.00 0.00 0.90 0.00 0.00 105 A 8.09 3.98 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 0.00 106 P 0.00 4.21 0.00 2.16 2.11 0.00 3.75 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 2.09 2.17 0.00 107 L 7.87 4.05 0.00 1.87 1.79 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.66 4.14 0.00 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.96 0.00 2.14 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 2.34 2.42 0.00 110 F 8.33 4.11 0.00 3.18 3.22 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 0.00 111 L 8.45 3.66 0.00 1.94 1.81 1.05 0.81 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 H 8.68 4.19 0.00 3.24 3.50 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 0.00 113 R 8.02 3.82 0.00 1.76 1.78 0.00 3.16 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 1.63 1.81 0.00 114 T 7.19 3.15 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 0.14 0.00 0.00 115 Y 7.50 4.49 0.00 3.02 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 0.00 116 E 7.76 4.03 0.00 2.03 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 2.23 2.28 0.00 117 L 7.39 4.36 0.00 1.66 1.65 0.90 0.96 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 0.00 118 V 7.86 4.20 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 0.94 0.00 0.00 0.35 0.00 0.00 119 P 0.00 4.66 0.00 2.26 1.98 0.00 4.11 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 2.26 2.07 0.00 120 A 8.48 4.54 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 0.00 121 G 9.72 4.09 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 0.00 0.00 0.00 122 Q 8.12 4.70 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 123 E 8.16 3.98 0.00 1.55 1.12 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 1.64 2.13 0.00 124 S 8.40 4.23 0.00 3.91 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 0.00 125 D 7.89 4.28 0.00 2.29 2.34 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 0.00 126 Y 8.02 4.03 0.00 3.11 3.14 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 0.00 127 I 7.68 3.76 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.22 0.98 0.00 0.00 128 D 8.45 4.38 0.00 2.78 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 0.00 129 I 7.66 3.82 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.91 0.00 0.00 130 D 8.15 4.36 0.00 2.90 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 0.00 131 A 8.36 4.03 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 0.00 132 E 8.10 3.99 0.00 2.16 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 0.00 2.37 2.50 0.00 133 I 8.14 3.87 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.92 0.00 0.00 134 A 7.85 4.03 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 0.00 135 E 8.09 4.02 0.00 2.09 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 2.32 2.44 0.00 136 H 7.66 4.78 0.00 3.10 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.60 4.19 0.00 1.75 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.