NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3205 8.2601 123.5895 51.9627 19.5542 176.2491 3 A 3.9239 8.0330 129.4155 53.2768 19.1268 172.3242 4 V 4.7078 8.5586 116.5405 61.3892 35.7762 172.4759 5 T 4.7581 8.9061 124.9947 61.9758 70.2928 173.7474 6 Q 4.6952 8.7506 126.0801 55.8447 30.3051 176.3190 7 S 4.6481 8.7004 119.0928 56.9152 67.5196 172.8780 8 P 4.7602 0.0000 0.0000 62.3664 32.5733 176.4322 9 R 4.2349 8.4984 116.6516 58.3146 31.0504 176.3525 10 N 5.3351 7.5984 114.5553 51.7576 42.7911 173.6679 11 K 4.1986 8.5208 119.0450 55.7532 36.6159 173.5346 12 V 4.8452 8.7011 127.3817 61.2472 33.5025 174.3264 13 A 4.9401 9.2783 128.6804 50.0593 23.3250 174.5607 14 V 4.5302 7.7792 117.9596 61.5089 34.1714 174.5821 15 T 3.9634 8.3755 123.9720 65.8081 68.0261 173.3854 16 G 4.0333 8.3896 114.8606 44.3268 0.0000 172.9804 17 E 4.6122 7.9844 118.2546 54.4489 32.4766 175.1170 18 K 4.7070 8.3791 122.4369 55.5416 33.0942 176.0151 19 V 4.3224 8.2724 126.8103 61.6602 34.4133 174.6927 20 T 4.8975 8.1214 121.8690 61.7382 70.9338 172.5235 21 L 4.2695 8.0358 127.3256 54.0626 42.8538 177.0143 22 S 4.9569 8.9357 120.4167 58.2013 65.3619 172.9604 23 C 5.0919 8.7637 120.4404 55.7870 45.0618 172.6103 24 Q 5.2779 8.8740 126.0124 54.2723 30.9672 174.9456 25 Q 4.9993 8.3729 119.3175 54.7875 31.8868 174.9948 26 T 4.1331 8.0871 117.8253 62.8887 70.3266 172.2022 27 N 3.8036 8.7935 123.3912 53.5939 37.2613 173.4195 28 N 4.5916 8.3297 124.9759 54.0208 36.6712 174.3910 29 H 4.5238 8.4961 116.9398 55.3885 30.0257 176.1895 30 N 4.6103 8.7707 120.9624 55.6750 39.0553 175.2497 31 N 4.8848 7.9335 115.7959 52.4507 40.5967 174.4720 32 M 5.0879 7.9581 121.7233 53.9861 37.1709 173.6548 33 Y 5.0515 9.4006 118.6040 56.0873 42.9999 174.3481 34 W 5.2024 9.2265 122.2250 55.4655 31.9339 174.3083 35 Y 5.9737 10.1573 122.9798 55.3947 41.3783 175.0004 36 R 4.7422 8.5556 117.4186 54.4467 32.7945 173.8738 37 Q 4.9197 8.6570 124.1107 55.2055 31.3492 174.5289 38 D 4.7100 8.9467 125.3093 54.4493 44.6039 174.5623 39 T 3.7881 7.8307 112.8385 61.8326 68.8887 173.3696 40 G 4.0497 9.4173 115.6726 45.3821 0.0000 172.9796 41 H 4.6878 8.3802 115.8809 54.3272 31.5418 174.9987 42 G 3.6539 8.0295 106.8389 47.0303 0.0000 172.0692 43 L 4.3545 8.3368 120.5938 55.0940 42.1849 176.4088 44 R 4.8348 8.5582 122.3715 54.0686 33.7951 174.7807 45 L 4.3326 8.6314 125.2252 55.4428 42.9849 176.5368 46 I 4.0053 9.7036 129.1015 63.4331 38.1201 175.3131 47 H 5.5859 8.0657 117.3660 54.6367 33.8259 171.3358 48 Y 5.2262 8.6721 118.0118 56.1503 42.3019 173.5959 49 S 4.1691 7.6025 110.8996 57.5404 66.0126 174.5739 50 Y 4.5415 9.1419 123.7307 56.7686 38.0417 175.2298 51 G 4.1762 7.4235 110.5994 43.6267 0.0000 172.0725 52 A 4.1367 8.0265 122.2891 54.1893 18.2927 178.1035 53 G 4.0247 8.8389 111.7493 44.6613 0.0000 173.1903 54 S 4.8486 7.8440 114.3275 56.8424 64.6239 173.3208 55 T 4.7019 8.0585 119.3667 60.9290 70.3332 172.1649 56 E 4.5948 9.2893 128.8210 53.8260 33.3615 174.7569 57 K 4.2508 8.9355 124.8189 57.2093 32.7002 177.4496 58 G 4.3373 8.5651 111.6369 46.3897 0.0000 173.8371 59 D 4.7816 8.8332 120.4385 55.3066 41.6724 177.3569 60 I 4.8221 7.1839 110.0932 59.2198 35.5368 174.3599 61 P 4.4496 0.0000 0.0000 65.2796 32.8405 178.4317 62 D 4.2776 8.2613 119.9727 56.5053 41.1882 177.0226 63 G 3.6575 8.7959 111.6982 45.5615 0.0000 172.0423 *65 Y 5.4985 7.2180 115.6181 58.2073 39.5469 174.7272 66 K 4.7085 8.9642 122.0205 55.4494 35.7048 174.3684 67 A 5.4176 8.2929 120.9848 53.0212 22.4390 175.8266 68 S 4.5221 8.1973 111.0011 57.8338 66.3354 174.8689 69 R 4.9104 8.4678 122.8906 53.8610 28.3684 175.1256 70 P 4.2815 0.0000 0.0000 64.4790 32.0199 176.1078 71 S 4.7377 7.5272 110.0175 56.3359 66.3139 173.4147 72 Q 4.0286 8.8038 120.4880 59.4262 28.8136 177.0670 73 E 4.2789 7.9224 117.8006 53.0215 28.0504 173.7597 74 Q 5.8790 7.2965 135.0000 57.1805 32.0846 170.0437 75 F 5.6250 8.6951 128.3764 56.2026 42.4643 173.6372 76 S 5.1524 8.6875 121.6211 56.6673 65.9475 172.6282 77 L 4.4917 7.9086 125.9828 53.3114 43.7456 174.9127 78 I 4.5848 8.1811 126.8977 59.4840 40.1931 174.7740 79 L 4.4320 8.6161 128.1086 53.8497 41.7114 177.2784 80 E 3.8563 8.7398 123.8591 58.6562 29.4691 178.9365 81 S 4.3947 7.8355 119.6973 56.1086 64.5394 171.9115 82 A 4.7636 8.7716 128.8514 52.2375 19.6168 175.9736 83 T 4.6889 8.3413 112.5578 60.4231 70.8900 172.4648 84 P 4.4084 0.0000 0.0000 65.9177 31.4506 178.8130 85 S 4.2362 8.0446 110.1177 61.0382 63.0453 174.9433 86 Q 4.3780 8.3391 119.0141 57.0176 28.4572 175.1247 87 T 4.8872 7.4437 115.6498 62.5457 69.7782 174.5517 88 S 4.4889 7.8379 118.4551 58.7261 68.5620 175.5559 89 V 4.7762 7.1970 117.7595 60.9194 32.4679 174.1195 90 Y 4.6657 8.9296 124.1646 57.7136 39.2706 174.8153 91 F 5.8817 10.2349 122.1963 56.1151 43.3635 171.8312 92 C 5.7435 10.8674 117.0297 53.2577 43.1800 172.1311 93 A 5.5956 8.3298 118.8274 50.8862 22.5171 175.0318 94 S 5.0893 8.6947 114.0553 56.7529 65.8683 173.4448 95 G 4.2009 8.9041 110.1351 44.6727 0.0000 173.0654 96 G 3.8417 8.7601 115.0580 47.1070 0.0000 172.5069 97 G 3.8895 7.1682 114.2083 44.2954 0.0000 173.9660 98 G 3.8382 8.2241 112.5039 46.2686 0.0000 174.5196 99 T 3.9972 7.5750 115.9881 63.7281 69.1275 172.8832 100 L 4.9962 7.5749 121.9132 53.9193 46.4477 175.6601 101 Y 4.3749 7.8081 118.3309 57.1695 42.0438 174.2225 *108 F 4.8751 8.7064 122.8870 57.0604 40.5717 175.6191 109 G 4.0109 8.9646 111.0984 44.6538 0.0000 173.4143 110 A 4.2974 8.4818 121.0024 52.7473 18.8708 177.9460 111 G 3.3236 8.1422 102.5899 44.3764 0.0000 173.6300 112 T 4.6305 8.4746 116.7695 61.5472 72.3254 173.9530 113 R 4.3182 8.7249 127.2567 55.6805 30.5877 175.0805 114 L 4.8955 8.5953 127.5233 53.8784 43.9060 174.9572 115 S 5.0563 8.9947 121.3570 56.4296 64.9129 172.5626 116 V 4.8343 8.7225 127.2338 61.0284 33.6483 175.2441 117 L 4.4654 8.3652 126.4717 54.9226 41.9310 176.4034 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 A 8.26 4.32 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 3 A 8.03 3.92 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 4 V 8.56 4.71 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 1.05 0.00 0.00 0.92 0.00 0.00 5 T 8.91 4.76 4.27 0.00 0.00 0.00 0.00 0.00 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 6 Q 8.75 4.70 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 7 S 8.70 4.65 0.00 3.74 3.75 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 8 P 0.00 4.76 0.00 2.40 2.08 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 9 R 8.50 4.23 0.00 1.78 2.02 0.00 3.44 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 10 N 7.60 5.34 0.00 2.68 2.64 0.00 0.00 6.74 6.68 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 11 K 8.52 4.20 0.00 1.79 1.53 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 1.24 7.81 12 V 8.70 4.85 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 0.88 0.00 0.00 0.93 0.00 0.00 13 A 9.28 4.94 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.78 4.53 2.06 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 1.00 0.00 0.00 0.97 0.00 0.00 15 T 8.38 3.96 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 1.19 0.00 0.00 16 G 8.39 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 0.00 0.00 0.00 17 E 7.98 4.61 0.00 2.05 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 2.43 2.18 0.00 18 K 8.38 4.71 0.00 1.75 1.71 0.00 1.52 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.22 7.81 19 V 8.27 4.32 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 0.81 0.00 0.00 0.89 0.00 0.00 20 T 8.12 4.90 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 1.16 0.00 0.00 21 L 8.04 4.27 0.00 0.90 1.43 0.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.94 4.96 0.00 4.00 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 23 C 8.76 5.09 0.00 2.75 3.06 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 24 Q 8.87 5.28 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 25 Q 8.37 5.00 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 26 T 8.09 4.13 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 1.17 0.00 0.00 27 N 8.79 3.80 0.00 2.67 2.56 0.00 0.00 6.96 7.79 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 28 N 8.33 4.59 0.00 2.69 2.91 0.00 0.00 7.21 8.16 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 29 H 8.50 4.52 0.00 3.23 3.22 0.00 5.65 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 30 N 8.77 4.61 0.00 2.75 3.13 0.00 0.00 6.99 8.00 0.00 0.00 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 7.93 4.88 0.00 3.00 2.68 0.00 0.00 6.92 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 32 M 7.96 5.09 0.00 1.44 1.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 33 Y 9.40 5.05 0.00 2.58 2.35 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 34 W 9.23 5.20 0.00 3.18 2.89 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 35 Y 10.16 5.97 0.00 3.31 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 36 R 8.56 4.74 0.00 1.34 1.48 0.00 2.90 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 37 Q 8.66 4.92 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 D 8.95 4.71 0.00 2.73 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 0.00 0.00 0.00 0.00 39 T 7.83 3.79 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 1.22 0.00 0.00 40 G 9.42 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 41 H 8.38 4.69 0.00 3.02 3.21 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.03 3.65 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 0.00 0.00 0.00 43 L 8.34 4.35 0.00 1.32 1.30 0.84 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.56 4.83 0.00 1.79 1.80 0.00 2.97 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 45 L 8.63 4.33 0.00 1.91 1.60 0.45 0.97 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 46 I 9.70 4.01 1.77 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 0.82 0.49 0.51 0.00 0.00 47 H 8.07 5.59 0.00 3.16 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.67 5.23 0.00 2.45 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 49 S 7.60 4.17 0.00 3.37 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 Y 9.14 4.54 0.00 2.87 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 51 G 7.42 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 0.00 0.00 0.00 0.00 52 A 8.03 4.14 1.26 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 0.00 0.00 53 G 8.84 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 0.00 0.00 0.00 54 S 7.84 4.85 0.00 3.85 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 55 T 8.06 4.70 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 1.18 0.00 0.00 56 E 9.29 4.59 0.00 1.16 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 2.00 2.19 0.00 57 K 8.94 4.25 0.00 1.76 1.81 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 58 G 8.57 4.34 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 0.00 59 D 8.83 4.78 0.00 2.62 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 60 I 7.18 4.82 1.95 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 1.52 0.68 0.93 0.00 0.00 61 P 0.00 4.45 0.00 2.06 2.35 0.00 3.84 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 2.03 2.04 0.00 62 D 8.26 4.28 0.00 2.74 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 63 G 8.80 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 *65 Y 7.22 5.50 0.00 2.94 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 66 K 8.96 4.71 0.00 1.61 1.70 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 67 A 8.29 5.42 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.20 4.52 0.00 3.89 3.93 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 0.00 0.00 0.00 69 R 8.47 4.91 0.00 1.79 1.93 0.00 3.81 0.00 0.00 3.44 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 70 P 0.00 4.28 0.00 2.06 2.13 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 71 S 7.53 4.74 0.00 4.23 3.83 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 72 Q 8.80 4.03 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.43 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 73 E 7.92 4.28 0.00 1.99 2.24 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 2.23 2.34 0.00 74 Q 7.30 5.88 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 75 F 8.70 5.62 0.00 2.99 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 76 S 8.69 5.15 0.00 3.81 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 77 L 7.91 4.49 0.00 0.27 0.31 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.18 4.58 1.82 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 1.15 0.53 0.85 0.00 0.00 79 L 8.62 4.43 0.00 1.51 1.44 0.68 0.55 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 80 E 8.74 3.86 0.00 1.74 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 0.00 2.29 2.39 0.00 81 S 7.84 4.39 0.00 3.79 3.62 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 82 A 8.77 4.76 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.34 4.69 4.19 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 1.16 0.00 0.00 84 P 0.00 4.41 0.00 2.21 2.12 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 85 S 8.04 4.24 0.00 3.99 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 86 Q 8.34 4.38 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 87 T 7.44 4.89 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 1.30 0.00 0.00 88 S 7.84 4.49 0.00 3.93 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 89 V 7.20 4.78 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 0.78 0.00 0.00 0.97 0.00 0.00 90 Y 8.93 4.67 0.00 2.98 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 91 F 10.23 5.88 0.00 3.20 3.28 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 92 C 10.87 5.74 0.00 2.23 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 93 A 8.33 5.60 0.57 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 94 S 8.69 5.09 0.00 3.93 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 95 G 8.90 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.76 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 97 G 7.17 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 0.00 0.00 0.00 98 G 8.22 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 99 T 7.58 4.00 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 0.80 0.00 0.00 100 L 7.57 5.00 0.00 1.38 1.34 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.81 4.37 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.88 0.00 3.00 3.17 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 0.00 109 G 8.96 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 0.00 110 A 8.48 4.30 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 0.00 111 G 8.14 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 0.00 0.00 0.00 112 T 8.47 4.63 4.33 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 1.18 0.00 0.00 113 R 8.72 4.32 0.00 2.00 1.93 0.00 3.13 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 114 L 8.60 4.90 0.00 1.65 1.70 0.94 0.51 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 0.00 115 S 8.99 5.06 0.00 3.93 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 0.00 116 V 8.72 4.83 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 0.84 0.00 0.00 0.92 0.00 0.00 117 L 8.37 4.47 0.00 1.55 1.49 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.