NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5116 8.0333 117.3693 62.9305 70.7084 173.0123 3 L 3.5561 8.4495 125.4004 54.3369 42.0353 174.7937 4 H 4.5291 8.7376 125.6111 55.1952 31.1555 176.2918 5 K 4.1279 8.5820 128.5304 56.4107 31.6027 173.3676 6 E 4.7226 7.9784 115.0198 57.0855 31.5401 175.8866 7 R 4.9477 8.0691 115.9216 54.9836 29.7187 176.7531 8 R 4.2896 7.8602 118.2652 56.5087 30.5726 176.2184 9 I 3.0840 8.2637 125.3145 63.7119 37.8620 177.7905 10 G 3.4603 7.7836 105.9191 47.8196 0.0000 175.5312 11 R 3.8837 7.8096 121.4725 58.8620 30.1351 178.3954 12 L 3.8620 7.9677 119.1927 57.8026 41.4700 179.7309 13 S 4.0671 7.7661 113.8738 61.0781 62.8178 176.7415 14 V 3.6591 7.5790 121.7302 65.7842 31.1537 178.0081 15 L 3.9294 7.7970 117.7024 57.6191 41.4744 178.9733 16 L 4.0463 7.6787 119.5569 58.0085 42.1081 178.5243 17 L 4.1703 7.3906 119.2388 57.8333 42.0892 177.5986 18 L 4.2106 7.7821 116.6719 54.9727 41.2129 175.9108 19 N 5.1450 7.8362 114.7449 51.8339 42.2739 173.9027 20 E 4.7641 8.4821 114.5529 55.9384 32.9113 176.9523 21 A 4.1889 8.2656 127.3528 53.5443 17.8151 179.7529 *26 Q 4.4260 9.2817 120.5688 56.0841 30.7245 179.1876 27 V 3.7377 7.6679 118.0199 65.4855 31.4619 177.6044 28 E 4.0719 8.3623 119.5816 60.2899 29.0297 179.5597 29 E 4.1278 8.0450 117.6339 60.5396 30.1660 180.5439 30 L 4.6093 7.9309 118.9329 57.8862 41.5168 179.3855 31 E 4.4435 8.6583 122.0646 59.3926 29.4849 179.8407 32 R 4.1209 7.6955 119.2601 60.0993 29.8452 179.9595 33 D 5.1988 8.1581 119.6126 55.0742 39.1244 179.0048 34 G 3.7605 7.9849 116.4923 45.8882 0.0000 172.7770 35 W 4.8170 7.6000 121.3606 56.7394 30.5607 175.3867 36 K 4.6088 9.5036 125.5674 55.6599 32.5008 175.8914 37 V 5.0007 8.4082 125.0988 61.3466 34.3316 174.6156 38 C 4.6832 8.7936 126.3574 58.2891 34.8771 172.5523 39 L 4.9419 8.3225 126.0011 53.4220 43.8667 175.6375 40 G 3.6073 7.5447 107.4286 45.2466 0.0000 172.1300 41 K 5.3283 8.3720 118.8184 54.9380 35.7745 176.2220 42 V 4.4908 9.2740 122.5752 60.2273 34.9741 173.8514 43 G 4.3433 8.7847 112.1430 44.4958 0.0000 171.9123 44 S 4.8058 8.8985 119.7757 57.2069 66.7206 174.0556 45 M 4.5345 8.6284 118.3686 54.7138 31.5615 174.5998 46 D 5.0775 8.2962 120.4320 52.2452 43.6194 176.8691 47 A 3.9998 8.6719 126.5307 55.3248 18.3812 179.0543 48 H 4.2868 8.1589 113.0959 58.4230 28.8391 177.6328 49 K 3.9451 7.4738 120.9427 58.5230 31.9639 179.4746 50 V 3.4897 7.4427 118.5548 65.8902 31.6859 177.9353 51 I 3.5395 7.6483 119.3603 64.3612 37.0871 178.3642 52 A 4.0271 8.2387 121.4733 55.0051 17.8163 179.5704 53 A 4.0934 7.8339 119.0334 55.2240 18.4951 179.8679 54 I 3.2809 7.4022 118.1652 64.1695 36.9491 177.5182 55 E 3.9794 8.0911 120.5577 59.1693 29.4515 177.8177 56 T 4.4276 7.8639 111.9458 64.0026 68.9928 176.5119 57 A 4.2572 7.4689 121.8278 54.7996 19.1828 179.8091 58 S 4.4145 8.2546 112.4928 60.3903 62.7119 176.1647 59 K 4.3654 7.7072 122.7663 58.4041 32.9495 178.9532 60 K 4.2702 8.3791 123.0920 58.6833 31.9452 178.9969 61 S 5.1754 7.6805 110.3804 57.4357 65.5957 173.8282 62 G 4.1613 8.3155 107.1617 45.9427 0.0000 176.0013 63 V 3.7571 8.1233 120.7205 64.8963 31.9358 175.5378 64 I 4.7948 7.2854 110.3362 58.3266 40.3240 175.0942 65 Q 4.1544 9.9307 121.3443 56.3350 28.9910 176.8313 66 S 4.4075 8.5531 114.8460 59.3174 63.2642 173.9073 67 E 4.3869 8.0727 119.8313 55.6246 30.7411 176.0270 68 G 4.0684 8.8166 109.3887 46.1807 0.0000 172.7325 69 Y 4.6849 8.2340 117.2740 58.5517 39.9336 177.0568 70 R 3.6852 8.0357 119.4015 59.8966 29.9446 178.1252 71 E 3.9410 8.0142 117.3863 59.2396 29.5103 179.0518 72 S 4.0814 7.9889 112.8432 61.5958 62.3916 175.6425 73 H 3.8867 8.1977 120.9975 59.0322 29.5498 177.1031 74 A 3.8756 7.9351 122.5876 55.0548 18.1432 179.3502 75 L 3.8739 8.2169 119.2323 58.2988 42.1638 178.3652 76 Y 3.9242 8.3158 119.8218 61.1553 38.7490 178.0021 77 H 4.0397 8.4817 116.7684 58.8101 28.9837 177.5746 78 A 4.0197 8.1010 122.5633 55.6011 18.1550 179.7874 79 T 3.7112 8.0365 114.2118 67.0280 68.2612 176.6582 80 M 3.8651 7.4957 119.4060 58.5009 32.3220 178.4472 81 E 4.1833 8.2946 118.4296 59.2174 29.6145 179.2196 82 A 4.1764 7.7590 120.4975 54.8705 18.4963 179.3490 83 L 3.9990 7.9843 117.2060 57.5054 41.5074 179.3314 84 H 4.2440 7.8588 115.7311 58.8568 28.4521 177.9587 85 G 3.7196 8.0016 107.0519 47.0157 0.0000 175.4355 86 V 4.3641 7.8149 120.8959 65.0710 31.6965 177.4626 87 T 4.1581 8.3572 109.4741 62.1574 70.4056 173.6347 88 R 3.9785 8.9485 120.2801 54.0724 27.1933 174.4807 89 G 4.1807 8.0856 112.1490 45.4575 0.0000 171.7256 90 E 4.5072 7.8347 121.7741 53.9140 31.7770 177.3264 91 M 4.4249 8.3075 127.1444 54.0578 30.7358 175.4651 92 L 4.8580 7.2577 118.3954 53.0132 46.7124 174.8479 93 L 4.5120 8.0716 118.0050 55.5188 44.8535 178.9214 94 G 3.7513 7.5486 112.4047 48.9565 0.0000 175.9195 95 S 4.2344 8.0729 113.0662 60.0596 63.2816 174.6891 96 L 4.5143 7.6513 119.3180 53.7052 42.0012 175.6655 97 L 3.6528 7.8346 118.8902 55.9674 40.6497 174.2444 98 R 4.9331 8.3767 112.3895 54.6756 33.0568 174.8217 99 T 4.8018 9.1501 115.1473 60.4621 71.2072 172.7049 100 V 4.6721 8.7780 120.1621 59.7290 34.6397 175.3440 101 G 4.4338 9.2258 112.7919 44.2218 0.0000 171.4409 102 L 5.1877 8.9221 125.9345 53.3140 44.8817 175.1756 103 R 5.2159 9.3188 122.2593 54.5991 33.3451 174.3854 104 F 5.6468 9.4418 119.8566 55.1958 42.1038 173.1867 105 A 5.1418 8.9097 120.8908 50.2455 22.7130 175.1131 106 V 4.7533 9.1732 122.3692 61.0595 34.3579 173.8992 107 L 5.2379 8.6853 130.3363 53.2514 44.7046 174.9431 108 R 5.3173 10.3230 125.7606 53.7949 33.8404 175.2914 109 G 4.0767 8.2554 113.1430 44.6693 0.0000 170.5984 110 N 5.3698 8.0583 118.4551 51.3518 38.9002 172.7486 111 P 5.0690 0.0000 0.0000 63.4957 32.4632 175.3509 112 Y 4.9074 8.7722 121.7846 57.2844 39.6410 177.2690 113 E 4.1512 8.9700 119.7962 59.1345 30.8034 178.4946 114 S 4.5984 7.6720 110.5137 57.0352 63.7334 174.6584 115 E 4.0480 8.8161 127.6021 59.1042 29.7206 178.6428 116 A 4.1245 7.6519 121.0908 54.8246 18.5519 178.5418 117 E 3.9756 7.7747 113.8286 57.3857 30.0336 178.4617 118 G 3.9550 7.9776 107.7534 44.4291 0.0000 171.9870 119 D 4.9266 8.3644 117.6793 54.2789 42.2056 175.8916 120 W 5.3537 9.7304 121.4681 54.9560 33.9821 173.9604 121 I 5.3556 9.4363 120.4494 59.4101 41.4607 173.8416 122 A 5.1585 9.0564 129.3165 50.3098 22.1034 174.9466 123 V 4.4451 8.8690 123.9454 61.8818 33.2830 174.7450 124 S 5.0958 8.9523 124.6295 56.7020 65.8829 173.3552 125 L 5.2508 8.4569 123.1706 53.1989 45.2942 175.0091 126 Y 5.4065 9.4713 123.8121 54.4428 42.8717 175.4102 127 G 4.0070 6.4493 113.2994 46.3380 0.0000 173.0313 128 T 5.0565 8.2316 114.7720 59.5218 72.1163 172.3522 129 I 4.7925 8.7796 124.9599 59.4429 41.2831 174.8989 130 G 4.3916 8.1969 113.6072 46.1716 0.0000 172.3292 131 A 4.4188 8.4337 121.8807 51.4952 18.5588 176.8487 132 P 4.2878 0.0000 0.0000 65.6292 31.6557 178.0110 133 I 3.9059 7.4337 116.9672 60.6074 37.2077 174.8159 134 K 3.9518 8.4253 124.3112 57.2482 32.1724 179.1085 135 G 4.0310 8.3950 110.3989 48.2512 0.0000 174.1988 136 L 4.5087 7.5928 120.3550 53.5801 39.6651 176.0328 137 E 5.1586 7.8527 118.2357 55.6441 32.5506 174.1557 138 H 5.1300 8.4920 116.1324 53.5428 32.4821 172.3835 139 E 5.2147 8.7169 117.0074 56.5355 30.2931 176.5820 140 T 4.8566 8.0819 114.8685 61.1753 71.1817 172.1795 141 F 5.3380 8.7785 127.0790 57.3460 43.2098 173.0025 142 G 4.8178 8.2592 112.1840 45.4504 0.0000 171.7704 143 V 4.8048 8.4831 124.2957 60.8132 34.2815 174.6312 144 G 4.6246 9.0240 114.8490 43.5133 0.0000 171.5906 145 I 5.2986 8.4993 124.9048 59.5458 40.1463 174.4427 146 N 5.2898 9.3513 124.8206 51.8774 42.8063 173.2538 147 H 3.3787 8.0466 119.5140 55.1789 29.6426 174.9558 148 I 4.0932 8.0126 120.1673 61.3605 37.8362 174.5889 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 T 8.03 4.51 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 1.22 0.00 0.00 3 L 8.45 3.56 0.00 1.57 1.46 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.74 4.53 0.00 3.12 3.28 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.58 4.13 0.00 1.81 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 6 E 7.98 4.72 0.00 2.07 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 2.23 2.22 0.00 7 R 8.07 4.95 0.00 2.57 2.43 0.00 2.64 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 8 R 7.86 4.29 0.00 1.81 1.86 0.00 3.08 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 9 I 8.26 3.08 1.90 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 1.43 0.81 0.89 0.00 0.00 10 G 7.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.81 3.88 0.00 1.83 1.99 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 L 7.97 3.86 0.00 1.47 1.30 0.86 0.69 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 13 S 7.77 4.07 0.00 4.01 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 14 V 7.58 3.66 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 1.31 0.00 0.00 1.12 0.00 0.00 15 L 7.80 3.93 0.00 1.75 1.67 0.88 0.82 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 16 L 7.68 4.05 0.00 1.64 1.85 0.89 0.92 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 17 L 7.39 4.17 0.00 1.73 1.84 0.99 1.50 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 18 L 7.78 4.21 0.00 1.64 1.49 0.76 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.84 5.14 0.00 2.87 2.66 0.00 0.00 6.88 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 20 E 8.48 4.76 0.00 1.87 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 2.20 2.33 0.00 21 A 8.27 4.19 1.03 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 *26 Q 9.28 4.43 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.56 6.85 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.67 3.74 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 1.14 0.00 0.00 0.92 0.00 0.00 28 E 8.36 4.07 0.00 2.25 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 0.00 2.47 2.40 0.00 29 E 8.05 4.13 0.00 2.09 1.90 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 2.23 1.96 0.00 30 L 7.93 4.61 0.00 1.92 1.92 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.66 4.44 0.00 2.00 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 0.00 2.41 2.34 0.00 32 R 7.70 4.12 0.00 1.88 1.85 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 33 D 8.16 5.20 0.00 2.83 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 0.00 0.00 0.00 34 G 7.98 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 35 W 7.60 4.82 0.00 3.47 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 36 K 9.50 4.61 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.44 7.81 37 V 8.41 5.00 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 0.78 0.00 0.00 1.07 0.00 0.00 38 C 8.79 4.68 0.00 3.08 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 39 L 8.32 4.94 0.00 1.44 1.37 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.54 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 41 K 8.37 5.33 0.00 1.87 1.69 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.41 7.81 42 V 9.27 4.49 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 0.77 0.00 0.00 0.93 0.00 0.00 43 G 8.78 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 44 S 8.90 4.81 0.00 3.85 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 45 M 8.63 4.53 0.00 2.20 2.22 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 2.55 2.51 0.00 46 D 8.30 5.08 0.00 2.51 2.45 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 47 A 8.67 4.00 1.28 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 0.00 0.00 48 H 8.16 4.29 0.00 3.44 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.47 3.95 0.00 1.84 1.81 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.03 7.81 50 V 7.44 3.49 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 0.92 0.00 0.00 0.93 0.00 0.00 51 I 7.65 3.54 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.91 0.00 0.00 52 A 8.24 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 3.28 1.54 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.70 0.00 0.00 55 E 8.09 3.98 0.00 2.22 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 2.34 2.39 0.00 56 T 7.86 4.43 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 1.24 0.00 0.00 57 A 7.47 4.26 1.62 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 0.00 0.00 58 S 8.25 4.41 0.00 4.09 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 59 K 7.71 4.37 0.00 1.67 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.58 7.81 60 K 8.38 4.27 0.00 1.82 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.68 5.18 0.00 4.02 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 62 G 8.32 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 0.00 0.00 0.00 63 V 8.12 3.76 2.31 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 0.92 0.00 0.00 1.00 0.00 0.00 64 I 7.29 4.79 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 1.33 0.88 0.94 0.00 0.00 65 Q 9.93 4.15 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 66 S 8.55 4.41 0.00 3.84 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 67 E 8.07 4.39 0.00 1.95 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 2.24 2.37 0.00 68 G 8.82 4.07 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 0.00 0.00 0.00 69 Y 8.23 4.68 0.00 2.93 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 70 R 8.04 3.69 0.00 1.88 1.90 0.00 3.20 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 71 E 8.01 3.94 0.00 2.04 1.97 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 2.37 2.34 0.00 72 S 7.99 4.08 0.00 3.91 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 73 H 8.20 3.89 0.00 2.04 3.02 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.94 3.88 1.34 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 75 L 8.22 3.87 0.00 1.83 1.88 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.32 3.92 0.00 3.14 2.99 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 77 H 8.48 4.04 0.00 3.25 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.10 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 79 T 8.04 3.71 4.15 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 0.00 0.00 0.00 1.00 0.00 0.00 80 M 7.50 3.87 0.00 1.86 2.15 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.84 0.00 81 E 8.29 4.18 0.00 2.20 2.02 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 2.37 2.52 0.00 82 A 7.76 4.18 1.36 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 0.00 0.00 0.00 83 L 7.98 4.00 0.00 1.77 1.62 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.86 4.24 0.00 3.53 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.00 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 0.00 0.00 0.00 86 V 7.81 4.36 2.16 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 0.80 0.00 0.00 0.89 0.00 0.00 87 T 8.36 4.16 4.42 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 1.21 0.00 0.00 88 R 8.95 3.98 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 89 G 8.09 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 90 E 7.83 4.51 0.00 1.93 1.87 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 2.20 2.19 0.00 91 M 8.31 4.42 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 92 L 7.26 4.86 0.00 1.60 1.48 0.92 0.99 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 93 L 8.07 4.51 0.00 1.77 1.64 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.55 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 0.00 0.00 0.00 95 S 8.07 4.23 0.00 3.99 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 96 L 7.65 4.51 0.00 1.76 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.83 3.65 0.00 1.75 1.71 0.92 0.62 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 98 R 8.38 4.93 0.00 1.81 1.80 0.00 3.04 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 99 T 9.15 4.80 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 1.25 0.00 0.00 100 V 8.78 4.67 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 0.60 0.00 0.00 0.95 0.00 0.00 101 G 9.23 4.43 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 0.00 102 L 8.92 5.19 0.00 1.82 1.65 0.87 0.84 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 0.00 103 R 9.32 5.22 0.00 1.85 1.81 0.00 3.02 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 104 F 9.44 5.65 0.00 3.14 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 0.00 105 A 8.91 5.14 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 0.00 106 V 9.17 4.75 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 1.00 0.00 0.00 1.12 0.00 0.00 107 L 8.69 5.24 0.00 1.69 1.34 0.78 -0.44 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 0.00 108 R 10.32 5.32 0.00 2.03 1.84 0.00 3.47 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 109 G 8.26 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 0.00 0.00 0.00 110 N 8.06 5.37 0.00 2.74 2.71 0.00 0.00 7.36 7.69 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 0.00 111 P 0.00 5.07 0.00 1.79 2.41 0.00 3.87 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.16 0.00 112 Y 8.77 4.91 0.00 3.13 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 0.00 113 E 8.97 4.15 0.00 1.77 1.87 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 2.26 2.13 0.00 114 S 7.67 4.60 0.00 3.94 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 0.00 115 E 8.82 4.05 0.00 2.01 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 2.38 2.25 0.00 116 A 7.65 4.12 1.28 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 0.00 0.00 117 E 7.77 3.98 0.00 2.15 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 2.30 2.21 0.00 118 G 7.98 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 0.00 119 D 8.36 4.93 0.00 2.73 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 0.00 120 W 9.73 5.35 0.00 3.50 3.29 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 0.00 121 I 9.44 5.36 1.95 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 1.22 1.79 1.02 0.00 0.00 122 A 9.06 5.16 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 0.00 123 V 8.87 4.45 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 0.96 0.00 0.00 0.91 0.00 0.00 124 S 8.95 5.10 0.00 3.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 5.25 0.00 1.39 1.46 0.85 0.84 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 0.00 126 Y 9.47 5.41 0.00 3.19 2.82 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 0.00 127 G 6.45 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 0.00 128 T 8.23 5.06 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 1.18 0.00 0.00 129 I 8.78 4.79 1.82 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 1.10 1.57 0.85 0.00 0.00 130 G 8.20 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 0.00 0.00 0.00 0.00 131 A 8.43 4.42 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 0.00 132 P 0.00 4.29 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 133 I 7.43 3.91 1.86 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 1.29 0.33 0.91 0.00 0.00 134 K 8.43 3.95 0.00 1.82 1.59 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 135 G 8.40 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 0.00 136 L 7.59 4.51 0.00 1.69 1.63 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.85 5.16 0.00 1.99 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 2.31 2.23 0.00 138 H 8.49 5.13 0.00 3.23 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.72 5.21 0.00 1.98 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 2.33 2.20 0.00 140 T 8.08 4.86 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 1.14 0.00 0.00 141 F 8.78 5.34 0.00 3.27 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 0.00 142 G 8.26 4.82 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 0.00 0.00 0.00 143 V 8.48 4.80 2.11 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 0.83 0.00 0.00 0.74 0.00 0.00 144 G 9.02 4.62 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 0.00 0.00 0.00 145 I 8.50 5.30 1.99 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 1.30 0.77 1.18 0.00 0.00 146 N 9.35 5.29 0.00 2.81 2.55 0.00 0.00 6.55 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.05 3.38 0.00 2.14 1.31 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.01 4.09 1.82 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 1.06 0.86 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.