NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-6 L 4.4099 8.1693 120.7486 53.6158 42.2180 178.1197 -5 Y 4.6943 8.0350 108.7554 55.8535 41.2207 174.3609 -4 F 4.4899 8.8360 120.5931 57.4868 40.9361 176.4268 -3 Q 4.6585 8.3760 124.0538 54.9179 32.0799 174.4693 -2 S 4.5568 8.6720 119.9917 57.7479 64.1740 174.7359 -1 H 4.2008 8.9753 119.5787 59.4012 28.4186 177.0698 *0 M 4.3123 7.3075 117.0558 56.0134 31.6179 182.2363 1 S 4.2674 7.9894 113.8209 62.2592 62.6285 176.2619 2 E 4.0173 8.2322 120.1836 59.1231 29.5644 178.4523 3 L 4.5102 7.8655 116.9938 54.5326 41.8094 175.8987 4 I 4.7290 7.0477 120.2079 59.9833 38.1005 175.3446 5 V 4.4147 8.9532 128.7470 61.1852 33.6263 174.2613 6 N 5.0072 8.9670 126.4401 52.4074 39.9423 174.4650 7 V 4.7184 8.5656 125.5943 61.5697 33.1922 174.4880 8 I 4.7716 8.8857 130.3273 59.6541 39.7223 174.4700 9 N 5.3409 9.1830 125.3270 51.7507 40.8344 175.4044 10 G 4.3678 9.2232 114.5576 43.8028 0.0000 170.8621 11 P 4.3678 0.0000 0.0000 64.4858 31.7764 176.7351 12 N 4.4690 9.0421 117.3773 53.7741 37.4554 176.1586 13 L 4.1175 7.4969 117.7775 56.3951 42.0201 178.7486 14 G 3.6089 7.9560 106.0873 47.0451 0.0000 174.2160 15 R 4.3932 7.7002 121.2107 56.2723 30.6829 176.9142 16 L 4.2321 7.3328 119.5499 55.7429 41.5217 180.8875 17 G 4.2690 9.2175 111.3016 45.3975 0.0000 174.8347 18 R 4.3747 7.5470 113.3573 56.2186 31.0249 176.3898 19 R 3.8098 8.1788 118.1134 58.1180 30.1031 177.9911 20 E 3.7492 8.4629 118.0367 56.7122 25.9449 174.5577 21 P 4.5792 0.0000 0.0000 64.6692 31.4948 177.6562 22 A 4.0375 8.0013 118.4693 54.1843 18.3436 178.9507 23 V 3.7139 7.3933 115.2277 65.0706 32.3922 176.7591 24 Y 4.6988 8.2148 113.3506 56.7214 39.4362 176.2766 25 G 3.9726 7.9499 105.6089 45.1718 0.0000 173.9744 26 G 4.0470 8.2016 105.1784 45.4789 0.0000 174.0530 27 T 4.2722 7.6700 117.7255 63.1443 69.2734 175.3697 28 T 4.7472 8.1765 118.1057 60.8493 71.2476 175.4046 29 H 4.0738 8.6256 120.6993 59.3792 29.8917 177.1338 30 D 4.3549 8.0530 120.4337 57.4199 40.7605 178.4169 31 E 3.9841 7.9590 119.2112 59.0679 29.3778 179.2013 32 L 3.8337 7.7454 120.6605 57.8781 42.0376 179.0729 33 V 3.4008 7.6418 117.9443 66.0232 31.5241 177.8126 34 A 3.9430 7.8355 120.3411 55.2190 18.3130 179.6535 35 L 3.9630 7.9782 117.4431 57.8098 41.5782 179.8870 36 I 3.7069 7.8214 119.7640 64.5096 36.9892 178.2611 37 E 3.9166 8.3171 119.6370 59.3622 29.0837 179.5949 38 R 3.8502 7.8278 118.2237 59.4406 30.2991 178.2505 39 E 3.9318 8.1119 118.5535 59.1197 29.5969 178.5378 40 A 4.0039 8.3889 121.0492 55.1408 18.0726 179.4939 41 A 3.9801 7.8570 119.2132 55.3403 18.2035 179.7635 42 E 3.9618 7.8621 116.3941 59.0777 29.6101 178.7673 43 L 4.3658 7.6127 116.7644 55.0745 41.9834 177.6835 44 G 3.8988 7.7167 106.6573 45.1739 0.0000 172.7263 45 L 4.9419 8.3491 121.0379 53.0741 45.2465 176.5168 46 K 4.6822 9.1980 123.0487 53.4515 35.0349 174.1977 47 A 5.0626 8.6777 126.9082 49.2186 21.3739 176.0796 48 V 4.0361 8.7898 123.3588 61.2130 33.1716 174.2656 49 V 4.5222 8.0724 128.2935 61.5835 32.3709 175.1275 50 R 4.5907 8.7409 126.2782 54.4701 34.5622 174.0515 51 Q 5.1251 8.4295 121.1407 54.9608 32.6099 173.8649 52 S 4.7807 9.0242 118.9865 57.5316 66.0665 174.3461 53 D 4.6908 8.9055 124.8014 55.0314 41.3973 176.7599 54 S 4.5243 7.8446 115.4988 56.7891 64.0966 173.9745 55 E 3.8486 8.6499 129.3370 59.4077 29.6461 178.6176 56 A 3.8897 7.9004 120.3104 55.2753 18.4672 179.2339 57 Q 3.4347 7.5181 116.7807 59.0519 29.0275 178.4637 58 L 4.1114 7.4545 120.0465 57.7418 41.6726 179.3723 59 L 3.8501 8.0877 119.2896 57.7804 41.5374 179.1268 60 D 4.3384 7.9739 117.8359 57.2057 41.2376 178.3726 61 W 4.5199 7.8902 119.3079 59.9053 28.9278 178.6588 62 I 3.8391 7.9619 119.9305 64.5292 36.5136 178.0788 63 H 4.2615 8.2423 117.1427 59.1629 28.5835 177.8762 64 Q 4.0611 8.3368 119.5412 58.9538 28.5420 178.7134 65 A 4.0649 8.1761 121.4911 54.8557 18.5069 179.5923 66 A 3.9365 8.3538 119.8163 55.4562 18.2368 179.5958 67 D 4.4458 8.0406 116.2437 56.8624 41.1277 177.9874 68 A 4.2995 8.1262 118.2741 51.1437 19.4405 176.6044 69 A 3.6774 7.3847 118.3984 53.1135 16.8481 176.9390 70 E 4.9956 7.9225 119.0612 54.6982 31.6748 175.7854 71 P 4.5896 0.0000 0.0000 63.1705 32.8895 175.0514 72 V 4.8539 8.6033 121.3046 61.2717 34.7309 174.0771 73 I 4.8154 8.9396 129.1330 59.6902 39.2185 174.2580 74 L 5.1194 9.0113 130.1100 53.1984 44.9567 174.5655 75 N 5.2717 9.3544 125.6214 51.8025 40.3082 174.0732 76 A 4.5232 8.5123 125.9394 51.4690 20.3389 178.4112 77 G 3.9069 7.8646 108.0248 46.9977 0.0000 178.3715 78 G 3.8451 8.7418 113.4478 47.9738 0.0000 175.1791 79 L 4.2720 7.7270 121.4933 57.1081 41.3975 179.2093 80 T 3.8854 7.4902 115.0681 66.6034 68.1689 174.9396 81 H 4.9853 7.9158 114.5618 56.0801 29.5493 175.6745 82 T 4.5738 7.7506 109.2662 61.5630 70.4550 173.2039 83 S 4.5106 8.3183 117.8645 56.7071 62.5247 174.5507 84 V 3.2912 7.9487 128.2921 65.5803 31.4708 177.4655 85 A 3.9811 7.8168 120.1896 55.1401 18.2078 179.2262 86 L 3.9290 7.8652 118.7640 58.0751 42.1392 179.1848 87 R 3.9103 7.5788 118.0536 59.4740 29.8071 178.2388 88 D 4.3696 8.3412 118.0250 57.2669 40.9343 178.3524 89 A 4.1845 7.9379 120.9161 55.3711 18.4656 179.5102 90 C 4.1635 8.2048 114.8149 62.4564 27.9525 175.9790 91 A 4.1207 7.8942 121.6100 54.5586 17.9914 178.8892 92 E 4.1454 7.7947 116.1863 57.2472 29.9136 177.4093 93 L 4.0322 7.0939 119.6817 54.9626 42.1799 176.8871 94 S 4.0493 8.4099 117.5428 59.8301 64.0599 174.7408 95 A 4.2830 7.3281 120.7491 50.2875 19.3731 175.5888 96 P 4.3008 0.0000 0.0000 63.2707 32.9086 175.0889 97 L 5.1312 8.8273 124.8949 53.4278 44.7751 174.9124 98 I 4.7257 8.6796 128.0036 59.4354 39.1999 174.4914 99 E 4.6053 9.0002 129.6136 55.6427 30.8149 175.3378 100 V 4.6322 8.3157 126.3662 61.3271 34.6727 174.2878 101 H 4.9587 9.0195 124.1516 54.1593 32.3060 174.2813 102 I 4.0361 8.8801 124.4565 64.4879 37.7514 176.8301 103 S 4.6038 8.0599 114.2513 56.9121 64.4834 173.7673 104 N 4.5302 8.3252 120.0917 52.7937 37.3969 175.8508 105 V 3.6385 8.1297 125.6284 63.9583 31.6768 177.0480 106 H 4.4236 8.0094 115.7095 56.4886 29.0275 175.4868 107 A 4.6312 7.7607 121.5817 51.6893 19.5348 177.4037 108 R 4.7015 7.2045 117.1752 56.1689 32.1142 175.5032 109 E 3.9217 8.1890 121.1487 57.0085 30.4212 177.5374 110 E 3.8583 8.5279 122.5725 59.1607 29.8771 178.6441 111 F 4.5421 7.6146 111.5683 58.4558 38.1088 175.7407 112 R 3.8961 7.0935 119.2355 56.7652 30.2240 176.9098 113 R 4.2706 7.5107 116.4479 56.3336 30.6382 176.5623 114 H 4.9142 7.5097 113.3091 54.0357 29.1218 173.6335 115 S 4.3475 7.8451 113.7398 58.7116 63.1695 173.7822 116 Y 4.2703 8.7484 125.5580 60.2602 37.9547 177.3481 117 L 4.4585 7.9197 119.1998 56.0501 42.0535 178.8548 118 S 4.3299 7.9880 116.5200 60.6821 62.6165 174.8519 119 P 4.3349 0.0000 0.0000 64.5422 31.1666 177.0500 120 I 4.1895 7.3046 108.5208 60.4033 38.1821 175.3923 121 A 4.5672 7.3334 124.3247 51.3625 20.3120 177.8439 122 T 4.0460 8.6886 117.4495 66.5075 68.8732 175.0023 123 G 4.0694 7.5475 105.7908 45.2460 0.0000 171.6423 124 V 4.9246 8.0722 118.9567 60.9309 34.6284 174.4393 125 I 4.5231 8.8984 128.3819 59.4892 39.6547 174.7210 126 V 4.6892 8.0268 126.0270 62.0285 34.9885 176.1996 127 G 4.0329 8.8103 114.1828 46.0729 0.0000 173.6882 128 L 4.4733 7.4172 117.8661 53.8843 42.4459 178.8527 129 G 3.9078 7.9273 108.7455 46.0083 0.0000 175.3145 130 I 4.1330 8.2703 111.8639 63.6251 37.7203 177.6617 131 Q 4.1757 8.2479 121.2121 58.4049 29.0077 177.6539 132 G 3.6484 7.9357 106.8400 48.3444 0.0000 175.1973 133 Y 4.0910 7.7565 118.5385 60.8776 38.0112 178.6959 134 L 4.1280 7.9104 119.4811 57.7072 41.9097 179.3447 135 L 4.0949 8.3346 119.0302 57.5000 41.6595 179.3272 136 A 4.0524 8.0052 120.7044 55.0174 18.1975 179.6364 137 L 4.0077 7.9231 117.2152 58.0482 41.7299 179.7594 138 R 3.9025 8.0220 118.2428 59.3323 29.8889 177.9331 139 Y 4.0698 8.0592 119.3595 60.8161 38.6226 178.1949 140 L 3.9695 7.8434 117.9345 57.5451 41.5214 179.0941 141 A 4.1279 8.3494 121.2397 55.2202 18.1619 179.4736 142 E 4.0723 8.1309 115.4711 58.5667 29.6057 178.0771 143 H 4.6368 7.3975 116.3416 55.8982 29.2526 175.7589 144 V 3.9495 7.2510 122.9988 61.0378 31.4964 180.6004 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 *-6 L 8.17 4.41 0.00 1.68 1.32 0.92 0.42 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 -5 Y 8.04 4.69 0.00 3.14 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 -4 F 8.84 4.49 0.00 3.15 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 -3 Q 8.38 4.66 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 -2 S 8.67 4.56 0.00 4.06 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 -1 H 8.98 4.20 0.00 3.28 3.51 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 M 7.31 4.31 0.00 1.81 2.10 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 1 S 7.99 4.27 0.00 4.05 4.21 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 2 E 8.23 4.02 0.00 1.96 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 2.59 0.00 3 L 7.87 4.51 0.00 1.78 1.70 0.93 1.29 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 4 I 7.05 4.73 1.87 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 1.10 0.66 0.90 0.00 0.00 5 V 8.95 4.41 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 1.06 0.00 0.00 0.95 0.00 0.00 6 N 8.97 5.01 0.00 2.67 2.67 0.00 0.00 6.10 7.26 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 7 V 8.57 4.72 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 1.08 0.00 0.00 0.95 0.00 0.00 8 I 8.89 4.77 1.93 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 1.11 0.60 1.12 0.00 0.00 9 N 9.18 5.34 0.00 2.69 2.78 0.00 0.00 6.42 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.22 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.37 0.00 2.07 2.03 0.00 4.02 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 2.05 2.28 0.00 12 N 9.04 4.47 0.00 2.91 2.93 0.00 0.00 6.91 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.50 4.12 0.00 1.89 1.74 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.96 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 15 R 7.70 4.39 0.00 1.96 1.93 0.00 3.29 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 16 L 7.33 4.23 0.00 1.57 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.22 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 0.00 0.00 0.00 0.00 18 R 7.55 4.37 0.00 1.93 2.06 0.00 3.05 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 19 R 8.18 3.81 0.00 1.99 1.98 0.00 3.34 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 20 E 8.46 3.75 0.00 2.28 2.33 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 2.43 2.50 0.00 21 P 0.00 4.58 0.00 2.18 2.14 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 22 A 8.00 4.04 1.27 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 0.00 0.00 0.00 23 V 7.39 3.71 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 0.10 0.00 0.00 0.77 0.00 0.00 24 Y 8.21 4.70 0.00 2.99 2.98 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 0.00 0.00 0.00 25 G 7.95 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 26 G 8.20 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 27 T 7.67 4.27 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 1.20 0.00 0.00 28 T 8.18 4.75 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 1.22 0.00 0.00 29 H 8.63 4.07 0.00 3.18 3.31 0.00 5.67 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 30 D 8.05 4.35 0.00 2.72 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 31 E 7.96 3.98 0.00 2.12 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 2.32 2.30 0.00 32 L 7.75 3.83 0.00 1.73 1.63 0.62 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.64 3.40 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 0.97 0.00 0.00 0.87 0.00 0.00 34 A 7.84 3.94 1.35 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 0.00 0.00 35 L 7.98 3.96 0.00 1.88 1.71 0.94 0.51 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 36 I 7.82 3.71 1.77 0.00 0.00 0.47 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 0.70 0.88 0.00 0.00 37 E 8.32 3.92 0.00 2.02 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 38 R 7.83 3.85 0.00 2.09 1.91 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.11 3.93 0.00 2.24 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 2.33 2.39 0.00 40 A 8.39 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.86 3.98 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 42 E 7.86 3.96 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 2.35 2.51 0.00 43 L 7.61 4.37 0.00 1.78 1.72 1.00 1.01 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 44 G 7.72 3.90 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 0.00 0.00 0.00 45 L 8.35 4.94 0.00 1.57 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.20 4.68 0.00 1.34 1.63 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.22 7.81 47 A 8.68 5.06 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 48 V 8.79 4.04 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 0.77 0.00 0.00 0.88 0.00 0.00 49 V 8.07 4.52 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 0.67 0.00 0.00 0.82 0.00 0.00 50 R 8.74 4.59 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.70 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.09 0.00 51 Q 8.43 5.13 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.09 0.00 52 S 9.02 4.78 0.00 4.04 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 53 D 8.91 4.69 0.00 2.70 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 54 S 7.84 4.52 0.00 3.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.85 0.00 2.04 1.88 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 2.33 2.35 0.00 56 A 7.90 3.89 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 57 Q 7.52 3.43 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 58 L 7.45 4.11 0.00 1.81 1.77 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.09 3.85 0.00 1.77 1.59 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.97 4.34 0.00 2.76 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 61 W 7.89 4.52 0.00 3.66 3.05 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 62 I 7.96 3.84 1.95 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 1.57 0.82 0.92 0.00 0.00 63 H 8.24 4.26 0.00 3.41 3.35 0.00 5.64 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 64 Q 8.34 4.06 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 65 A 8.18 4.06 1.45 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 0.00 0.00 66 A 8.35 3.94 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 67 D 8.04 4.45 0.00 2.73 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 68 A 8.13 4.30 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.38 3.68 1.50 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 0.00 0.00 70 E 7.92 5.00 0.00 1.88 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 2.43 2.44 0.00 71 P 0.00 4.59 0.00 2.15 2.22 0.00 3.94 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 2.21 2.12 0.00 72 V 8.60 4.85 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 1.08 0.00 0.00 0.94 0.00 0.00 73 I 8.94 4.82 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 1.14 0.59 0.98 0.00 0.00 74 L 9.01 5.12 0.00 1.73 1.48 1.02 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.35 5.27 0.00 2.86 3.05 0.00 0.00 6.66 8.76 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 76 A 8.51 4.52 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 77 G 7.86 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 0.00 0.00 0.00 78 G 8.74 3.85 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 0.00 0.00 0.00 79 L 7.73 4.27 0.00 1.83 1.75 0.93 0.76 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 80 T 7.49 3.89 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 1.27 0.00 0.00 81 H 7.92 4.99 0.00 3.30 3.58 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.75 4.57 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 1.29 0.00 0.00 83 S 8.32 4.51 0.00 3.83 3.85 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 84 V 7.95 3.29 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 0.96 0.00 0.00 0.37 0.00 0.00 85 A 7.82 3.98 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 86 L 7.87 3.93 0.00 1.77 1.65 0.92 0.89 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 87 R 7.58 3.91 0.00 1.96 2.06 0.00 3.42 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 1.65 1.87 0.00 88 D 8.34 4.37 0.00 2.80 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 89 A 7.94 4.18 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 90 C 8.20 4.16 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.12 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.79 4.15 0.00 2.16 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 2.35 2.36 0.00 93 L 7.09 4.03 0.00 1.72 1.57 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.41 4.05 0.00 2.72 3.43 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 95 A 7.33 4.28 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 96 P 0.00 4.30 0.00 2.19 2.16 0.00 3.58 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 2.21 2.20 0.00 97 L 8.83 5.13 0.00 1.73 1.48 0.92 0.76 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 98 I 8.68 4.73 1.82 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 0.89 0.62 0.81 0.00 0.00 99 E 9.00 4.61 0.00 1.98 1.73 0.00 0.00 0.00 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 2.16 0.00 100 V 8.32 4.63 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.68 0.00 0.00 101 H 9.02 4.96 0.00 3.03 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.88 4.04 2.17 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 1.64 1.25 1.13 0.00 0.00 103 S 8.06 4.60 0.00 3.80 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 0.00 104 N 8.33 4.53 0.00 2.72 2.74 0.00 0.00 6.64 7.71 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 0.00 105 V 8.13 3.64 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 0.57 0.00 0.00 0.90 0.00 0.00 106 H 8.01 4.42 0.00 3.26 3.33 0.00 5.64 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 0.00 107 A 7.76 4.63 1.22 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 0.00 0.00 108 R 7.20 4.70 0.00 1.58 1.57 0.00 3.08 0.00 0.00 3.11 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 109 E 8.19 3.92 0.00 1.16 1.17 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 2.32 2.21 0.00 110 E 8.53 3.86 0.00 1.94 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 2.35 2.25 0.00 111 F 7.61 4.54 0.00 3.12 3.19 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 0.00 112 R 7.09 3.90 0.00 1.67 1.75 0.00 2.94 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.00 113 R 7.51 4.27 0.00 1.65 1.80 0.00 3.04 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 114 H 7.51 4.91 0.00 3.03 3.08 0.00 5.71 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.85 4.35 0.00 3.87 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 0.00 116 Y 8.75 4.27 0.00 3.22 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 0.00 117 L 7.92 4.46 0.00 1.75 1.73 0.95 0.98 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 0.00 118 S 7.99 4.33 0.00 3.87 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 0.00 119 P 0.00 4.33 0.00 2.05 2.13 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 120 I 7.30 4.19 1.88 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 1.27 0.61 0.94 0.00 0.00 121 A 7.33 4.57 1.32 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 0.00 122 T 8.69 4.05 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 0.00 123 G 7.55 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 0.00 124 V 8.07 4.92 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 0.88 0.00 0.00 0.97 0.00 0.00 125 I 8.90 4.52 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.84 0.00 0.00 126 V 8.03 4.69 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 1.11 0.00 0.00 0.98 0.00 0.00 127 G 8.81 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 0.00 128 L 7.42 4.47 0.00 1.45 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.93 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 0.00 0.00 0.00 130 I 8.27 4.13 1.95 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 1.57 0.73 1.01 0.00 0.00 131 Q 8.25 4.18 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 132 G 7.94 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 0.00 133 Y 7.76 4.09 0.00 3.19 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 0.00 134 L 7.91 4.13 0.00 1.83 1.75 0.95 0.74 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 0.00 135 L 8.33 4.09 0.00 1.69 1.73 0.92 1.02 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 0.00 136 A 8.01 4.05 1.39 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 0.00 137 L 7.92 4.01 0.00 2.00 1.77 0.95 0.59 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 0.00 138 R 8.02 3.90 0.00 2.07 2.13 0.00 3.13 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 8.06 4.07 0.00 3.15 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 0.00 140 L 7.84 3.97 0.00 1.92 1.75 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.35 4.13 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 0.00 142 E 8.13 4.07 0.00 2.10 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 2.33 2.35 0.00 143 H 7.40 4.64 0.00 2.72 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.25 3.95 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.