NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3391 8.3044 120.3501 54.6278 34.3883 173.0712 2 L 3.8249 6.9735 117.9794 52.6112 40.9803 170.1042 3 M 4.3112 7.4921 116.5112 52.4258 35.2228 173.0950 4 P 4.2280 0.0000 0.0000 63.0689 31.7216 176.5363 5 R 4.0599 8.5623 120.2196 58.6575 30.3604 176.3703 6 R 4.7491 7.3846 114.2439 55.3421 34.3742 173.5163 7 M 4.6470 7.9030 116.1161 54.7812 35.6012 175.5088 8 K 3.9949 8.3818 120.2814 58.3521 32.7505 177.2071 9 Y 5.0520 7.2271 114.3281 56.4188 41.8962 175.2735 10 R 4.1326 8.9135 123.3381 58.8937 30.6814 176.8851 11 K 4.4286 7.8006 115.7472 54.9366 33.4382 175.9234 12 Q 4.6290 8.1460 123.2459 53.8880 32.2582 176.2846 13 Q 4.3350 8.4010 121.3568 56.1537 29.6495 175.2970 14 R 4.4643 8.7051 115.5797 56.6706 31.7191 177.9747 15 G 4.0435 8.2107 105.7232 44.7257 0.0000 172.0460 16 R 4.6727 8.2070 116.8840 54.8312 33.1465 176.1895 17 L 4.5791 8.2024 125.5931 53.2918 41.0009 179.2224 18 K 4.4769 7.9277 127.7053 56.1609 32.7330 175.3855 19 G 4.0610 8.4510 115.2001 46.6798 0.0000 172.7750 20 A 3.5013 8.3178 124.0654 53.2911 16.2043 179.7909 21 T 4.3637 8.8558 122.3912 64.8418 69.2409 172.1797 22 K 4.2070 7.5047 127.1163 59.1741 32.5030 176.4850 23 G 3.7060 7.8307 104.4589 46.1299 0.0000 172.0338 24 G 3.2538 7.9580 104.2058 46.3059 0.0000 174.0079 25 D 4.9162 7.1013 113.1131 52.8229 40.8647 175.8814 26 Y 4.3936 6.5236 116.5356 54.4264 42.5139 176.2712 27 V 3.4529 7.3578 118.0756 63.4443 30.2931 175.7876 28 A 4.2024 9.8472 121.8208 51.6886 17.6468 180.0555 29 F 4.4635 8.7735 111.3065 57.0265 41.2374 175.0526 30 G 4.1484 7.6504 107.3631 45.1081 0.0000 171.0151 31 D 4.5647 9.5213 118.3946 56.1418 42.8275 176.8202 32 Y 5.2900 7.4417 114.5215 55.7011 42.7193 175.1775 33 G 4.4019 8.9780 111.0611 44.6388 0.0000 172.1028 34 L 5.4328 8.6458 118.7041 53.0371 42.2674 176.2223 35 V 4.0922 8.5494 122.3611 61.4150 33.3580 175.7199 36 A 4.9007 8.6993 124.6169 50.9044 20.1470 178.0202 37 L 3.9638 8.7928 122.7984 56.1691 42.5326 176.9003 38 E 4.8342 7.9231 114.7114 53.5229 32.8428 173.9181 39 P 5.2357 0.0000 0.0000 62.6834 32.5654 175.4310 40 A 4.2528 7.7302 122.2309 51.8238 22.9018 174.4598 41 W 5.3566 8.8484 117.6242 55.3924 31.7846 175.6715 42 I 4.6691 8.7155 126.7675 60.3484 38.5814 175.1309 43 T 4.7713 9.8363 118.3562 60.5798 70.2375 175.6593 44 A 3.7227 8.5986 127.0914 55.7033 18.0739 179.8360 45 Q 3.9661 8.1517 114.9353 60.3257 29.0438 178.8187 46 Q 4.0598 9.6381 120.5246 56.6931 28.4687 180.0151 47 I 3.6627 6.9575 120.6665 64.1799 38.1586 176.6851 48 E 3.8815 8.2406 119.8952 59.7186 29.4299 178.6106 49 A 3.9997 8.5056 120.4914 55.1283 18.0420 179.5966 50 A 3.7803 7.7135 118.7913 55.2547 18.8456 179.7065 51 R 3.7144 8.3445 117.4875 59.1525 30.0212 178.8582 52 V 3.5191 8.3348 118.5967 65.8046 31.8630 177.8376 53 A 3.9889 8.0000 120.0566 54.8328 17.8375 178.7010 54 M 3.6443 7.5346 117.4585 57.9012 32.2422 178.2318 55 V 3.5601 7.5634 111.5686 64.8013 31.7915 178.7047 56 R 3.9813 7.6932 115.9378 59.8729 29.9750 178.1656 57 H 4.1108 7.6773 116.3592 58.3675 31.0259 176.2907 58 F 4.7978 7.2674 116.2731 56.4493 37.2201 176.0598 59 R 3.8444 7.6603 114.5081 58.2690 30.4136 176.9760 60 R 3.7403 8.8107 115.9863 56.8097 27.3047 175.9129 61 G 3.7487 7.8480 107.2684 44.4407 0.0000 169.0745 62 G 3.8214 7.9178 109.5747 44.8642 0.0000 172.0825 63 K 4.6370 8.2750 116.8886 55.3225 35.4356 175.3784 64 I 4.8576 8.0903 121.0652 59.7650 40.1292 175.3043 65 F 4.6771 8.9515 122.5107 56.2247 42.0856 174.5408 66 I 3.8600 8.3934 126.2624 59.5837 36.6502 175.6566 67 R 4.3630 8.0326 124.4865 55.8148 30.3947 176.1530 68 I 4.6080 7.2884 111.5608 59.0808 40.5827 174.3584 69 F 4.9453 8.4510 123.9878 55.8628 42.1559 171.9132 70 P 4.9325 0.0000 0.0000 62.9840 30.5169 175.3327 71 D 4.6691 8.3916 123.2255 52.4313 41.5864 175.5170 72 K 4.2776 7.8155 122.2182 54.7220 33.1799 174.3135 73 P 3.8973 0.0000 0.0000 62.8702 32.5677 175.2077 74 Y 4.6246 7.8367 120.8973 56.4190 41.6408 174.6267 75 T 5.1549 7.8854 122.7556 62.0271 70.8022 174.9379 76 K 4.0189 8.0168 122.5904 55.6888 33.8268 175.2987 77 K 3.9976 8.7296 127.4498 55.6957 32.6445 175.3152 78 P 4.3558 0.0000 0.0000 62.4165 31.8489 176.0307 79 L 3.9669 8.2606 121.9207 56.1933 43.0245 176.7191 80 E 3.7715 8.8009 124.4003 57.8978 26.3652 173.9765 81 V 4.4913 7.1959 110.2326 59.2950 35.8432 176.3712 82 R 4.3835 8.1624 118.7311 54.9292 31.0571 175.8977 83 M 4.0566 8.1606 117.7418 56.4528 31.0491 175.5002 84 G 3.5741 9.1687 106.8617 45.2805 0.0000 174.4118 85 K 3.8086 9.0813 116.2831 57.2752 29.1333 175.5181 86 G 3.8555 7.1570 104.3715 43.8218 0.0000 174.0350 87 K 3.9729 8.4400 120.8417 55.5491 32.4317 176.7180 88 G 4.0049 8.5660 113.4520 46.1438 0.0000 171.8379 89 N 4.8183 8.5417 116.5840 52.6897 40.3231 174.6628 90 V 4.2845 8.0601 119.9011 62.1115 32.6743 176.1204 91 E 4.5877 8.9589 125.8557 53.9466 29.6141 174.8050 92 G 4.0135 9.0139 109.2086 44.5525 0.0000 169.2524 93 Y 4.8962 8.1640 113.5117 56.4530 42.7683 175.2450 94 V 4.8379 8.7559 114.9084 59.5766 35.7181 174.4745 95 A 4.8157 8.4686 122.3539 50.0408 21.7015 175.8456 96 V 4.1569 8.4386 123.4186 63.0567 32.6611 175.5023 97 V 4.5615 8.9178 126.8594 61.1240 34.9716 174.1900 98 K 5.0012 8.4672 125.5949 53.4483 36.1192 173.3712 99 P 4.3956 0.0000 0.0000 64.5127 31.0312 174.9878 100 G 4.0818 9.8074 116.8525 45.9814 0.0000 174.4622 101 R 3.9483 7.8218 120.0661 57.0235 31.1925 175.9838 102 V 4.3488 7.9780 126.1220 61.8643 31.4878 175.2971 103 M 4.1045 8.5682 128.4314 57.6894 32.9474 176.6843 104 F 5.6582 8.0568 115.0551 54.7426 44.3147 173.8093 105 E 5.3463 8.5540 114.5431 56.0710 32.3954 174.8793 106 V 5.0650 8.4585 115.2938 60.2966 36.8293 173.4042 107 A 4.9839 8.0458 119.9106 54.0466 22.8901 177.7429 108 G 3.9155 9.4551 103.5636 46.0646 0.0000 173.8882 109 V 4.2187 7.1864 118.6901 60.5328 34.0555 174.8694 110 T 4.0725 8.1312 119.5437 62.1236 67.8836 174.2109 111 E 3.7626 8.6239 122.9627 58.3579 28.4916 178.0633 112 E 3.9235 8.5408 118.5941 59.4309 29.5740 179.2781 113 Q 4.0808 7.9945 118.3552 58.3998 28.9439 177.6892 114 A 4.0672 7.6724 121.3637 55.9887 18.2440 179.4980 115 M 3.8506 7.4963 116.6099 58.3574 31.9137 178.8223 116 E 3.8483 7.4800 116.0124 58.9291 29.9178 178.1411 117 A 3.7115 7.8678 120.8482 55.3700 18.4418 179.5945 118 L 3.8418 8.0706 117.2260 57.8592 41.4435 179.6658 119 R 3.8695 7.4529 117.6404 59.5111 30.2177 178.4939 120 I 3.8426 7.8754 119.2314 64.4412 37.2588 178.0101 121 A 4.0595 8.2137 122.0337 55.5700 18.0044 179.9637 122 G 3.5617 8.0877 103.9127 47.9045 0.0000 174.9802 123 H 4.5203 8.4266 116.0620 56.6476 28.8695 175.9207 124 K 4.4319 7.5564 119.0583 55.9741 32.7376 176.0412 125 L 4.8243 7.4771 120.3086 51.8923 43.7491 175.8839 126 P 4.0544 0.0000 0.0000 64.6292 31.4443 175.6964 127 I 4.6264 6.8137 111.9915 58.9224 40.3687 175.2231 128 K 4.5544 8.3790 120.8805 56.3535 33.5943 176.2943 129 T 5.2125 8.1439 111.5517 60.5542 72.6356 172.6791 130 K 4.6253 8.6897 121.5899 55.2376 36.0049 174.5175 131 I 4.9411 8.3754 127.9109 60.0149 38.3912 175.4641 132 V 4.3994 8.4916 118.7878 61.1827 35.8602 177.0039 133 R 3.8046 9.0218 124.0379 56.2700 28.0931 177.4191 134 R 5.6462 5.8400 126.0024 56.7231 35.8875 170.2764 135 D 4.2741 6.7971 130.4776 53.8147 46.4359 176.8684 136 A 4.4406 8.3321 120.9508 51.6598 18.3600 178.1872 137 Y 4.7569 7.1972 119.4224 58.9183 40.5448 177.3262 138 D 4.2129 7.3245 120.2570 55.2666 41.6512 177.3181 *139 E 4.1515 8.5583 115.6956 56.3233 30.4233 176.7652 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 1 M 8.30 4.34 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 L 6.97 3.82 0.00 1.85 1.81 1.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.49 4.31 0.00 1.73 0.87 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 4 P 0.00 4.23 0.00 2.40 2.18 0.00 2.92 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 5 R 8.56 4.06 0.00 1.81 2.02 0.00 3.15 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 6 R 7.38 4.75 0.00 1.71 1.76 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 7 M 7.90 4.65 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 8 K 8.38 3.99 0.00 0.99 1.06 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.43 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.28 7.81 9 Y 7.23 5.05 0.00 2.94 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 10 R 8.91 4.13 0.00 1.84 2.00 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 11 K 7.80 4.43 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 12 Q 8.15 4.63 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 13 Q 8.40 4.34 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 14 R 8.71 4.46 0.00 1.93 2.30 0.00 3.39 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 15 G 8.21 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 0.00 0.00 0.00 16 R 8.21 4.67 0.00 1.75 1.77 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 17 L 8.20 4.58 0.00 1.67 1.66 1.05 1.26 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 18 K 7.93 4.48 0.00 1.76 1.65 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 19 G 8.45 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 0.00 0.00 0.00 20 A 8.32 3.50 1.25 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 0.00 0.00 0.00 21 T 8.86 4.36 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 1.21 0.00 0.00 22 K 7.50 4.21 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 23 G 7.83 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 0.00 0.00 0.00 24 G 7.96 3.25 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 0.00 0.00 0.00 0.00 25 D 7.10 4.92 0.00 2.70 2.63 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 0.00 0.00 0.00 0.00 26 Y 6.52 4.39 0.00 2.45 2.86 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 27 V 7.36 3.45 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 1.07 0.00 0.00 0.90 0.00 0.00 28 A 9.85 4.20 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 0.00 0.00 0.00 0.00 0.00 29 F 8.77 4.46 0.00 2.31 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 30 G 7.65 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 0.00 0.00 0.00 0.00 31 D 9.52 4.56 0.00 2.86 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 32 Y 7.44 5.29 0.00 3.02 2.97 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 33 G 8.98 4.40 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 0.00 34 L 8.65 5.43 0.00 1.85 1.70 0.96 1.36 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 35 V 8.55 4.09 2.10 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 0.71 0.00 0.00 1.04 0.00 0.00 36 A 8.70 4.90 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 37 L 8.79 3.96 0.00 1.67 1.74 0.97 0.74 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 38 E 7.92 4.83 0.00 1.89 1.86 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 2.16 2.31 0.00 39 P 0.00 5.24 0.00 1.93 2.03 0.00 3.76 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 40 A 7.73 4.25 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 41 W 8.85 5.36 0.00 3.15 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 42 I 8.72 4.67 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.00 0.00 0.00 43 T 9.84 4.77 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 1.09 0.00 0.00 44 A 8.60 3.72 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 45 Q 8.15 3.97 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 46 Q 9.64 4.06 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.42 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 47 I 6.96 3.66 1.94 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 1.66 0.56 1.11 0.00 0.00 48 E 8.24 3.88 0.00 2.14 2.23 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 2.33 2.40 0.00 49 A 8.51 4.00 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 50 A 7.71 3.78 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 51 R 8.34 3.71 0.00 2.00 2.13 0.00 3.18 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 52 V 8.33 3.52 2.21 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 0.92 0.00 0.00 0.96 0.00 0.00 53 A 8.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.53 3.64 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.50 0.00 55 V 7.56 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 56 R 7.69 3.98 0.00 1.70 1.97 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 57 H 7.68 4.11 0.00 3.07 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.27 4.80 0.00 2.99 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 59 R 7.66 3.84 0.00 1.98 2.02 0.00 2.79 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 60 R 8.81 3.74 0.00 1.94 1.97 0.00 3.23 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 61 G 7.85 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 62 G 7.92 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 0.00 0.00 0.00 63 K 8.27 4.64 0.00 1.68 1.84 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.71 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.24 0.83 7.81 64 I 8.09 4.86 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 1.58 0.90 1.16 0.00 0.00 65 F 8.95 4.68 0.00 3.38 2.84 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 66 I 8.39 3.86 1.87 0.00 0.00 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 1.64 0.90 0.84 0.00 0.00 67 R 8.03 4.36 0.00 1.69 1.67 0.00 2.75 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.00 68 I 7.29 4.61 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.58 0.77 0.00 0.00 69 F 8.45 4.95 0.00 2.85 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 70 P 0.00 4.93 0.00 1.87 1.93 0.00 2.94 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.56 0.00 71 D 8.39 4.67 0.00 2.65 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 72 K 7.82 4.28 0.00 1.65 1.37 0.00 1.38 0.00 0.00 0.79 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.09 1.40 7.81 73 P 0.00 3.90 0.00 1.82 1.75 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 74 Y 7.84 4.62 0.00 2.87 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 75 T 7.89 5.15 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 1.09 0.00 0.00 76 K 8.02 4.02 0.00 1.53 1.68 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.47 7.81 77 K 8.73 4.00 0.00 1.75 1.72 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.43 7.81 78 P 0.00 4.36 0.00 2.02 2.00 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 79 L 8.26 3.97 0.00 1.61 1.57 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.80 3.77 0.00 2.15 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 2.21 2.31 0.00 81 V 7.20 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 82 R 8.16 4.38 0.00 1.91 1.95 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 83 M 8.16 4.06 0.00 2.02 2.03 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 2.59 2.47 0.00 84 G 9.17 3.57 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 0.00 85 K 9.08 3.81 0.00 1.92 1.95 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.36 7.81 86 G 7.16 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 0.00 0.00 0.00 87 K 8.44 3.97 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 88 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.82 0.00 2.71 2.73 0.00 0.00 6.42 7.68 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 90 V 8.06 4.28 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 0.54 0.00 0.00 0.84 0.00 0.00 91 E 8.96 4.59 0.00 1.87 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 2.26 2.26 0.00 92 G 9.01 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 0.00 0.00 0.00 93 Y 8.16 4.90 0.00 2.73 2.73 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 0.00 0.00 0.00 94 V 8.76 4.84 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 0.64 0.00 0.00 0.16 0.00 0.00 95 A 8.47 4.82 1.16 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 96 V 8.44 4.16 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 0.98 0.00 0.00 0.84 0.00 0.00 97 V 8.92 4.56 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 0.94 0.00 0.00 0.98 0.00 0.00 98 K 8.47 5.00 0.00 1.71 1.65 0.00 1.78 0.00 0.00 2.12 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 99 P 0.00 4.40 0.00 1.93 2.20 0.00 3.66 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 2.04 2.14 0.00 100 G 9.81 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 0.00 101 R 7.82 3.95 0.00 2.02 1.81 0.00 3.16 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 102 V 7.98 4.35 1.93 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 0.80 0.00 0.00 0.84 0.00 0.00 103 M 8.57 4.10 0.00 1.95 2.24 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 2.61 2.51 0.00 104 F 8.06 5.66 0.00 3.08 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 0.00 105 E 8.55 5.35 0.00 2.11 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 2.26 2.46 0.00 106 V 8.46 5.06 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 1.10 0.00 0.00 1.19 0.00 0.00 107 A 8.05 4.98 1.52 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 0.00 0.00 108 G 9.46 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 0.00 0.00 0.00 109 V 7.19 4.22 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 0.62 0.00 0.00 0.31 0.00 0.00 110 T 8.13 4.07 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 1.23 0.00 0.00 111 E 8.62 3.76 0.00 2.21 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 2.31 2.11 0.00 112 E 8.54 3.92 0.00 2.19 2.18 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 2.29 2.36 0.00 113 Q 7.99 4.08 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 114 A 7.67 4.07 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 0.00 115 M 7.50 3.85 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 116 E 7.48 3.85 0.00 2.03 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 2.35 2.30 0.00 117 A 7.87 3.71 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 0.00 118 L 8.07 3.84 0.00 1.81 1.75 1.11 0.79 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 0.00 119 R 7.45 3.87 0.00 1.98 2.14 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 120 I 7.88 3.84 1.94 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 1.68 0.59 0.86 0.00 0.00 121 A 8.21 4.06 1.11 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 0.00 0.00 122 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.52 0.00 3.20 3.33 0.00 5.63 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 0.00 124 K 7.56 4.43 0.00 1.84 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.46 7.81 125 L 7.48 4.82 0.00 1.71 1.57 1.03 1.06 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 0.00 126 P 0.00 4.05 0.00 2.17 2.19 0.00 3.76 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 2.01 1.98 0.00 127 I 6.81 4.63 1.88 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 1.25 0.72 0.98 0.00 0.00 128 K 8.38 4.55 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.47 7.81 129 T 8.14 5.21 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 1.23 0.00 0.00 130 K 8.69 4.63 0.00 1.87 1.67 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 131 I 8.38 4.94 1.94 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 1.41 1.80 1.12 0.00 0.00 132 V 8.49 4.40 2.29 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 0.83 0.00 0.00 1.03 0.00 0.00 133 R 9.02 3.80 0.00 1.88 1.52 0.00 3.35 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.80 0.00 134 R 5.84 5.65 0.00 2.01 1.80 0.00 3.55 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 135 D 6.80 4.27 0.00 2.56 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 0.00 136 A 8.33 4.44 1.15 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 0.00 0.00 0.00 137 Y 7.20 4.76 0.00 2.86 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 0.00 138 D 7.32 4.21 0.00 2.73 2.58 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 *139 E 8.56 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.