NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5718 8.1927 115.4377 57.7002 64.4110 172.7235 3 Q 3.8638 8.9981 125.4473 57.0717 29.2340 175.7730 4 F 4.3026 10.2034 124.9927 57.9366 38.6306 174.3116 5 T 4.3911 7.8832 118.5694 63.3720 69.7205 173.0785 6 L 4.9358 8.4838 127.6983 53.6430 44.1807 174.6881 7 Y 4.9387 8.4465 123.5440 55.5954 41.4471 174.9426 8 K 4.4698 9.0355 125.2211 56.3539 33.1597 175.8764 9 N 4.9120 8.7595 127.1631 53.4949 38.9839 174.9558 10 K 4.2075 8.9897 125.0421 56.7932 33.0960 176.1543 11 D 4.5893 8.5647 123.1771 53.3545 39.6606 177.5939 12 K 4.0848 8.7006 129.7780 57.5142 31.9578 175.8058 13 S 4.3914 8.0757 112.1044 60.2806 63.3177 174.6904 14 S 4.7327 7.6340 112.8876 57.5551 64.1088 175.6843 15 A 4.1434 8.1252 125.1590 55.0408 18.5401 180.0119 16 K 3.9089 8.1078 116.4175 59.9755 32.2339 178.2065 17 T 3.9097 7.7473 114.8753 65.5770 67.7419 173.7859 18 Y 5.6268 8.2466 118.0969 54.3193 38.2488 174.0165 19 P 4.6879 0.0000 0.0000 64.9132 33.0622 177.1298 20 Y 5.4255 7.6269 115.7439 56.2427 42.9632 174.2552 21 F 5.6250 8.8127 115.5067 55.3080 42.0670 173.5997 22 V 4.9290 8.8445 121.0707 59.8678 33.8232 174.4002 23 D 4.8866 9.1727 125.5208 54.4818 41.9127 176.4439 24 V 4.2774 8.5299 118.2195 61.0380 32.7723 175.6407 25 Q 4.1990 8.4401 122.7241 54.6901 29.9986 175.5883 26 S 4.1361 8.4008 118.7706 58.4843 63.1459 174.9760 27 D 4.4718 8.6272 126.3561 56.9508 40.8541 178.4515 28 L 4.0962 7.6413 117.9559 56.8611 41.7741 177.7617 29 L 4.8461 8.0377 117.6782 53.6008 41.6492 177.6959 30 D 4.5068 7.9683 119.3136 55.0320 39.0244 177.1804 31 N 4.4676 8.0199 117.7491 55.0179 37.7641 175.2470 32 L 4.0991 7.8351 119.5271 54.9123 42.3569 176.2371 33 N 4.9506 8.6073 117.8187 53.1278 38.5317 174.0031 34 T 5.1564 7.6536 108.3492 60.3441 72.6155 173.1732 35 R 4.8134 8.9124 120.4443 54.2317 34.6002 174.4369 36 L 4.5714 8.8536 126.1137 55.0283 43.1584 176.0750 37 V 5.1396 9.2247 118.9161 59.6714 36.5796 174.3942 38 I 4.8837 8.6103 122.8450 58.9063 40.1518 173.7576 39 P 5.1088 0.0000 0.0000 62.7320 33.0955 174.9205 40 L 5.3170 9.0709 121.5639 53.5133 44.4791 175.4099 41 T 5.1223 8.6614 116.2444 58.2884 70.8369 171.3972 42 P 4.6826 0.0000 0.0000 62.7715 31.4686 176.7054 43 I 3.8167 8.3593 124.3955 62.7502 37.2323 177.7238 44 E 5.9543 7.9150 130.2850 57.1101 29.9740 175.3769 *51 P 4.2646 0.0000 0.0000 62.0524 32.6696 177.3483 52 S 4.1625 8.9374 119.1998 62.0748 62.8433 175.4350 53 H 4.3110 8.2282 119.4713 58.9037 29.8773 176.8486 54 L 4.3671 8.1074 120.1168 57.4417 42.2493 175.9922 55 C 5.4287 7.7684 115.5293 55.7747 28.5245 172.3581 56 P 4.5371 0.0000 0.0000 62.4737 32.7810 175.2224 57 T 4.6000 8.3886 119.2048 63.2761 69.7332 174.4313 58 I 4.0862 8.9363 126.7672 59.9294 40.1642 174.5197 59 H 5.2373 8.9863 125.8257 54.2368 29.8286 174.2177 60 I 4.7948 8.6120 117.0052 58.5773 40.7828 175.7774 61 D 4.3944 8.7321 118.7486 57.4481 40.9903 177.2684 62 E 4.1712 8.1333 117.3531 57.5081 30.1478 177.3085 63 G 3.6062 6.4820 105.2109 44.6941 0.0000 170.1570 64 D 5.2233 7.4454 120.0791 52.5551 43.7576 175.5469 65 F 5.3956 9.2931 121.5695 55.7891 44.2614 173.6133 66 I 4.9522 8.8915 120.7165 59.8740 40.2925 175.1261 67 M 4.6534 8.8838 126.8939 54.8946 33.0467 176.3466 68 L 4.4328 8.6557 127.0556 53.3932 40.0616 177.5767 69 T 3.9016 8.2014 119.9240 66.5141 69.0691 176.8403 70 Q 4.0382 8.0838 117.5317 58.5412 28.7776 176.6333 71 Q 4.4335 7.8527 116.9256 55.7119 28.8243 175.1066 72 M 4.2743 7.5037 118.2293 57.0823 32.7713 175.4208 73 T 4.5832 8.8564 118.0933 61.0463 71.6721 171.8397 74 S 5.0376 8.4392 120.6282 57.3128 63.6990 173.5516 75 V 4.5226 8.5634 119.3084 58.5376 36.1808 173.5268 76 P 4.6667 0.0000 0.0000 62.3974 31.9887 178.3510 77 V 3.7078 8.6108 125.1443 65.2195 30.9036 179.5847 78 K 4.1037 7.9326 123.6200 59.1801 31.6946 182.8951 79 I 4.2437 7.4632 110.1193 61.9225 39.1050 176.6062 80 L 4.2363 7.4503 123.8399 53.5921 39.9646 176.5544 81 S 4.6099 7.9237 114.7698 59.2990 65.0055 175.8579 82 E 4.6957 7.9321 117.3744 52.8757 30.1782 177.3100 83 P 4.4357 0.0000 0.0000 62.1940 32.3680 177.7321 84 V 4.2556 8.1430 112.5043 61.0150 33.8977 174.4274 85 N 4.5205 7.2642 116.3572 53.0842 41.5464 172.0155 86 E 5.0246 8.3952 119.5652 54.8538 32.5683 174.6173 87 L 5.0223 9.1997 126.8649 54.4922 42.6715 178.9752 88 S 3.8483 9.6669 118.0421 61.2155 63.0106 175.9495 89 T 3.9016 7.7797 109.3813 63.1327 68.9292 175.2228 90 F 4.8535 8.1020 122.8200 56.5547 39.0272 177.0008 91 R 3.2000 7.4376 121.4339 59.5396 29.6927 178.0624 92 N 4.2885 8.0473 115.3846 56.6425 38.4257 177.0988 93 E 4.0398 8.1331 119.2106 59.2987 29.6311 179.3725 94 I 3.8191 7.9620 119.8787 64.5230 37.1707 178.5533 95 I 3.7780 8.1739 120.7350 64.3018 36.9192 178.1145 96 A 4.0171 8.2016 121.4279 55.3227 18.0926 179.6129 97 A 4.1916 8.0018 120.2559 54.9454 18.5131 179.9064 98 I 3.6845 7.8756 118.3468 64.7227 37.1807 178.4220 99 D 4.4341 8.5364 120.0631 57.2411 40.7379 178.6995 100 F 4.6824 8.4231 122.6193 60.8649 39.2192 176.9672 101 L 3.6999 8.0291 118.8634 57.4875 41.8668 178.0811 102 I 4.1952 7.6343 118.2922 62.5762 37.1690 177.1752 103 T 4.5092 8.4069 108.4288 60.5623 69.0964 175.6566 104 G 3.8679 7.7465 109.0878 46.5094 0.0000 173.9834 105 I 4.0767 7.4016 124.1863 61.3444 37.1948 175.8344 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 8.19 4.57 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 3 Q 9.00 3.86 0.00 2.02 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.83 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 4 F 10.20 4.30 0.00 3.30 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 5 T 7.88 4.39 4.26 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 0.50 0.00 0.00 6 L 8.48 4.94 0.00 1.53 1.23 0.80 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.45 4.94 0.00 1.43 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 0.00 0.00 0.00 8 K 9.04 4.47 0.00 1.90 1.76 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 N 8.76 4.91 0.00 2.97 2.85 0.00 0.00 7.20 7.52 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 10 K 8.99 4.21 0.00 1.83 1.87 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.42 7.81 11 D 8.56 4.59 0.00 2.78 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 12 K 8.70 4.08 0.00 1.72 1.81 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.00 7.81 13 S 8.08 4.39 0.00 3.99 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 14 S 7.63 4.73 0.00 4.28 4.16 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 15 A 8.13 4.14 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 16 K 8.11 3.91 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 17 T 7.75 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 18 Y 8.25 5.63 0.00 3.11 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 19 P 0.00 4.69 0.00 1.44 2.06 0.00 3.90 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 2.28 2.05 0.00 20 Y 7.63 5.43 0.00 2.67 2.68 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 21 F 8.81 5.62 0.00 3.13 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 22 V 8.84 4.93 2.12 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 0.88 0.00 0.00 1.15 0.00 0.00 23 D 9.17 4.89 0.00 3.03 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 0.00 24 V 8.53 4.28 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 0.84 0.00 0.00 1.02 0.00 0.00 25 Q 8.44 4.20 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 26 S 8.40 4.14 0.00 3.87 3.70 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 27 D 8.63 4.47 0.00 2.74 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 28 L 7.64 4.10 0.00 1.62 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.04 4.85 0.00 1.83 1.62 0.91 1.06 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 30 D 7.97 4.51 0.00 2.78 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 31 N 8.02 4.47 0.00 2.88 3.11 0.00 0.00 6.26 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 32 L 7.84 4.10 0.00 1.67 1.62 0.90 1.26 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 33 N 8.61 4.95 0.00 2.73 3.01 0.00 0.00 5.53 7.22 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 34 T 7.65 5.16 4.25 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 1.17 0.00 0.00 35 R 8.91 4.81 0.00 1.58 1.77 0.00 3.43 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 36 L 8.85 4.57 0.00 1.77 1.52 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.22 5.14 2.37 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 0.74 0.00 0.00 0.75 0.00 0.00 38 I 8.61 4.88 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.99 0.00 0.00 39 P 0.00 5.11 0.00 2.33 2.16 0.00 3.59 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 1.97 1.94 0.00 40 L 9.07 5.32 0.00 1.51 1.51 0.57 0.41 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 41 T 8.66 5.12 4.32 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 1.35 0.00 0.00 42 P 0.00 4.68 0.00 1.96 1.90 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 43 I 8.36 3.82 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.42 0.90 0.00 0.00 44 E 7.91 5.95 0.00 2.01 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 0.00 2.06 2.00 0.00 *51 P 0.00 4.26 0.00 2.37 2.13 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 52 S 8.94 4.16 0.00 3.87 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 53 H 8.23 4.31 0.00 2.94 2.88 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.11 4.37 0.00 2.03 1.99 0.98 0.86 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 55 C 7.77 5.43 0.00 3.02 2.91 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 56 P 0.00 4.54 0.00 2.08 2.02 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 57 T 8.39 4.60 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 1.02 0.00 0.00 58 I 8.94 4.09 1.83 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.42 0.00 0.00 59 H 8.99 5.24 0.00 3.14 3.28 0.00 5.64 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 60 I 8.61 4.79 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 1.00 0.00 0.00 61 D 8.73 4.39 0.00 2.65 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 62 E 8.13 4.17 0.00 1.92 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 1.74 2.29 0.00 63 G 6.48 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 64 D 7.45 5.22 0.00 2.39 2.52 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 0.00 65 F 9.29 5.40 0.00 2.86 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 66 I 8.89 4.95 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.97 0.00 0.00 67 M 8.88 4.65 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 68 L 8.66 4.43 0.00 1.70 1.69 1.29 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.20 3.90 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 1.22 0.00 0.00 70 Q 8.08 4.04 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 71 Q 7.85 4.43 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 72 M 7.50 4.27 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 73 T 8.86 4.58 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 1.05 0.00 0.00 74 S 8.44 5.04 0.00 3.87 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 75 V 8.56 4.52 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 0.35 0.00 0.00 0.70 0.00 0.00 76 P 0.00 4.67 0.00 2.11 1.92 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 77 V 8.61 3.71 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 0.77 0.00 0.00 0.89 0.00 0.00 78 K 7.93 4.10 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.06 7.81 79 I 7.46 4.24 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.85 0.00 0.00 80 L 7.45 4.24 0.00 1.26 0.21 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.92 4.61 0.00 4.01 4.02 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 82 E 7.93 4.70 0.00 1.86 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 0.00 2.19 1.82 0.00 83 P 0.00 4.44 0.00 1.92 1.56 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 84 V 8.14 4.26 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 0.78 0.00 0.00 0.74 0.00 0.00 85 N 7.26 4.52 0.00 2.47 2.43 0.00 0.00 6.60 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 86 E 8.40 5.02 0.00 1.86 1.72 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 2.25 2.29 0.00 87 L 9.20 5.02 0.00 1.88 1.79 0.77 0.86 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 88 S 9.67 3.85 0.00 3.88 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 89 T 7.78 3.90 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 1.09 0.00 0.00 90 F 8.10 4.85 0.00 3.10 3.02 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 91 R 7.44 3.20 0.00 1.37 1.71 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 92 N 8.05 4.29 0.00 2.74 2.85 0.00 0.00 7.09 7.66 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 93 E 8.13 4.04 0.00 2.33 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 2.53 2.52 0.00 94 I 7.96 3.82 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.98 1.14 0.00 0.00 95 I 8.17 3.78 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.10 0.97 0.00 0.00 96 A 8.20 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 97 A 8.00 4.19 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 98 I 7.88 3.68 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.94 0.00 0.00 99 D 8.54 4.43 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 4.68 0.00 3.07 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 0.00 101 L 8.03 3.70 0.00 1.69 1.83 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.63 4.20 1.88 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 1.74 1.00 0.91 0.00 0.00 103 T 8.41 4.51 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 1.23 0.00 0.00 104 G 7.75 3.87 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 0.00 0.00 0.00 105 I 7.40 4.08 1.97 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 1.23 1.46 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.