NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1873 8.2493 122.4413 51.5868 18.7671 175.0546 3 V 4.3899 7.6819 119.6730 59.1123 35.3880 169.7056 4 V 5.0692 8.4868 116.3704 59.7048 35.2194 175.9845 5 S 4.7264 8.7817 119.0845 56.9067 65.9903 173.2234 6 Q 5.2284 8.2200 121.3889 54.1198 31.4467 173.4977 7 H 5.1815 8.7959 123.8785 53.3467 32.0827 171.6497 8 P 5.1840 0.0000 0.0000 61.9335 32.6120 176.2316 9 S 4.6330 8.7582 115.1527 59.9639 64.4998 173.6020 10 R 5.1580 7.7920 120.4714 54.9455 32.9541 174.1960 11 V 4.6017 9.3391 125.8107 61.2960 35.4015 174.0340 12 I 5.1639 8.3512 126.8397 59.9151 40.5434 174.8184 13 V 4.6550 8.8735 119.3670 59.9409 36.8118 173.7210 14 K 4.9089 8.5610 120.8171 55.7180 34.8280 175.9554 15 S 3.9801 8.5498 117.6919 59.7549 63.2742 175.4095 16 G 3.8730 9.4145 113.8458 45.0935 0.0000 172.9689 17 T 4.3646 7.4460 114.8636 61.4487 69.0911 173.0870 18 S 4.9930 8.4527 121.6904 56.8372 63.8532 173.0717 19 V 4.3924 8.7751 127.5735 61.0253 33.8106 174.1816 20 K 4.9952 8.5763 126.3295 54.6508 34.4819 175.4525 21 I 4.7559 8.5573 125.1512 59.5951 40.7130 174.3308 22 E 5.1527 9.1362 126.3014 55.0579 32.1235 174.1954 23 C 5.4382 9.3601 123.1128 54.9520 47.8196 172.8433 24 R 5.1886 8.8853 124.6939 54.3144 33.9139 175.0233 25 S 4.2436 8.4565 119.7028 58.5064 62.4451 174.2509 26 L 4.2113 8.7466 128.6263 57.1765 42.2064 179.3278 27 D 5.1765 7.7384 117.7818 52.9530 40.9858 176.6364 27A F 4.5107 8.0148 115.2492 57.6771 40.2470 173.6183 28 Q 4.3685 8.5176 121.1362 54.5103 28.5960 173.2628 29 A 4.9909 7.7799 127.2919 50.6176 20.6010 177.3264 30 T 4.3408 8.3265 108.6265 62.0073 70.5154 178.0705 31 T 4.2221 9.1347 116.0359 63.7003 69.8868 172.7043 32 M 5.0508 8.6741 124.6978 53.5166 35.6325 174.8254 33 F 5.1871 9.0494 119.4424 55.4505 43.3825 174.1788 34 W 5.1241 8.6674 120.7903 55.2553 32.3335 174.3886 35 Y 5.3390 9.5527 121.7749 56.1827 41.9977 174.4373 36 R 4.7241 9.1241 120.0570 54.7468 32.5114 173.1832 37 Q 4.8242 8.6913 127.2985 54.4218 31.4442 174.0998 38 F 5.0618 8.4905 126.3401 54.4023 39.4465 174.5799 39 P 4.3429 0.0000 0.0000 62.8909 30.5884 175.5536 *42 S 4.3672 7.6836 113.8176 58.7623 64.7766 173.9571 43 L 4.3233 8.6185 124.8776 55.2432 43.3032 175.7769 44 M 4.6800 9.2154 127.9973 53.4909 34.1921 174.7453 45 L 4.0880 8.7967 128.8967 55.8137 42.6091 175.8285 46 M 4.4955 9.1113 125.6233 56.9396 34.2089 175.8221 47 A 4.9786 7.5394 117.4521 50.9992 22.8700 175.1210 48 T 4.7133 8.4839 109.8439 59.8751 72.2543 173.2862 49 S 4.6423 8.5751 118.1874 57.0671 65.8643 172.1809 50 N 5.0760 8.5925 124.4111 50.9011 41.2503 174.0220 51 E 4.1739 7.9012 122.0744 57.8266 29.7365 176.3849 52 G 3.9887 9.0718 114.5042 45.1735 0.0000 173.0287 52A S 4.7025 7.2733 114.2200 56.5364 65.0860 173.6474 53 K 4.3120 8.1638 120.4567 55.4552 32.8777 177.1455 54 A 4.2142 8.2783 123.2033 52.5153 19.4636 176.7903 55 T 4.4237 8.3782 116.6072 62.3554 70.4655 173.5594 56 Y 5.0770 8.5033 123.6365 56.3053 40.2120 175.6617 57 E 4.3827 9.0239 123.3473 55.2867 31.4916 176.0534 58 Q 4.1208 8.6207 121.6955 58.3876 29.1921 176.9577 59 G 4.0015 9.2171 113.3893 44.8576 0.0000 173.0292 60 V 4.2747 7.4196 119.4417 60.8807 33.0227 174.3217 61 E 4.3355 8.6768 128.4593 54.4484 30.5001 176.8127 62 K 2.6373 8.3354 125.3092 59.3834 32.6532 178.1387 63 D 4.5943 8.3657 117.6725 54.9716 41.3570 177.7505 64 K 3.8876 7.9465 118.5909 58.5429 32.6982 176.5043 65 F 5.2046 7.3374 114.8303 55.4405 38.4037 174.9849 66 L 4.2806 8.0940 120.6781 55.2090 43.3707 177.7607 67 I 4.9987 8.2747 121.6387 59.6970 40.8635 174.3599 68 N 5.0093 8.8706 123.6512 51.7607 42.0402 174.0859 69 H 5.5679 8.2903 118.7362 56.0005 30.5744 173.4720 70 A 4.4927 8.2263 121.6923 52.0630 20.1409 176.9950 71 S 4.7616 7.5275 109.3572 56.1122 66.0224 174.5069 72 L 4.2321 8.3540 118.1506 56.1499 41.6315 178.2934 73 T 4.1140 7.7260 115.3044 63.1169 71.4079 173.6669 74 L 5.3342 7.6143 121.7680 53.3456 45.4339 175.5431 75 S 5.0051 9.1942 118.7712 57.0187 66.6565 172.5478 76 T 5.1068 8.9215 121.4292 61.7675 71.9642 172.5068 77 L 4.4887 8.3834 128.7124 53.4889 44.0198 175.0199 78 T 5.4216 8.8324 120.3102 59.1039 70.4080 173.2034 79 V 4.0066 8.1219 130.3073 61.2206 32.3356 175.5093 80 T 4.1235 7.9308 116.6331 61.8030 69.8929 175.6740 81 S 3.6416 8.5788 114.0802 59.1100 60.0981 171.5641 82 A 4.4384 8.2889 127.2088 51.9717 19.8041 176.8456 83 H 5.1464 9.1840 116.7307 53.0827 33.2649 172.9950 84 P 4.5623 0.0000 0.0000 65.0816 31.1921 178.8181 85 E 4.1288 8.2326 114.0812 58.9594 29.5274 177.2047 86 D 4.8819 8.2147 117.8297 54.8943 41.1813 176.7275 87 S 4.5539 8.3198 117.4327 57.5511 63.7781 174.9566 88 G 3.9977 7.5718 111.1757 46.2177 0.0000 169.8153 89 F 5.5366 7.2635 120.6776 56.7470 41.9053 175.5829 90 Y 5.0178 8.4503 122.9737 56.2301 41.5861 174.6577 91 I 5.1283 8.8355 123.5020 59.6139 41.5766 172.0195 92 C 5.0424 9.0788 120.4915 53.6511 40.8613 172.6864 93 S 5.0112 8.5620 113.8676 56.8150 66.9367 172.3025 94 A 5.2352 8.6953 120.5518 50.2367 22.7027 175.9192 95 L 4.9393 9.3207 120.4940 54.1207 43.2411 176.0647 96 A 5.2483 8.6652 122.6476 49.8044 21.1893 178.1710 97 G 3.7098 8.1472 112.1091 45.8448 0.0000 175.2684 *103 D 4.5430 7.4658 120.8408 54.1792 40.3425 178.8719 104 T 4.0869 7.4583 118.6706 63.3660 70.2549 175.9896 105 Q 4.4845 8.4673 125.8845 55.5347 30.1791 174.7532 106 Y 4.7614 9.0627 121.5254 56.3963 40.2806 174.7571 107 F 5.0916 9.1581 122.8106 55.8966 39.8819 176.0863 108 G 4.0095 9.2300 110.2398 45.0048 0.0000 173.0640 109 P 4.3941 0.0000 0.0000 63.7042 31.3564 177.7601 110 G 3.6688 8.5318 104.1262 45.0444 0.0000 172.2464 111 T 4.9957 7.9452 114.3406 61.7804 72.7684 173.2370 112 R 5.2405 9.3566 127.9516 55.0676 31.9067 174.5805 113 L 5.3622 9.3134 128.5777 53.6288 45.4046 175.0498 114 T 4.9343 9.1586 122.1280 61.7919 72.1914 172.9199 115 V 4.8734 9.0121 126.1540 60.9612 35.0232 175.3564 116 L 4.4830 8.6177 126.2129 54.9246 42.3568 176.3465 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 8.25 4.19 0.63 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 0.00 0.00 3 V 7.68 4.39 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 0.75 0.00 0.00 0.98 0.00 0.00 4 V 8.49 5.07 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 1.11 0.00 0.00 0.98 0.00 0.00 5 S 8.78 4.73 0.00 3.83 3.98 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 6 Q 8.22 5.23 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 7 H 8.80 5.18 0.00 3.13 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.68 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 5.18 0.00 2.12 2.08 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 S 8.76 4.63 0.00 4.02 4.23 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 10 R 7.79 5.16 0.00 1.84 1.84 0.00 3.48 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 11 V 9.34 4.60 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 1.02 0.00 0.00 0.95 0.00 0.00 12 I 8.35 5.16 1.89 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 1.38 0.82 0.94 0.00 0.00 13 V 8.87 4.66 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 0.74 0.00 0.00 0.98 0.00 0.00 14 K 8.56 4.91 0.00 1.81 1.91 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 S 8.55 3.98 0.00 3.78 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 16 G 9.41 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.45 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 1.18 0.00 0.00 18 S 8.45 4.99 0.00 3.85 3.69 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 19 V 8.78 4.39 1.95 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 0.94 0.00 0.00 0.87 0.00 0.00 20 K 8.58 5.00 0.00 1.62 1.65 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.38 7.81 21 I 8.56 4.76 1.84 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 1.23 0.72 1.20 0.00 0.00 22 E 9.14 5.15 0.00 2.01 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 0.00 2.30 2.28 0.00 23 C 9.36 5.44 0.00 2.80 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 24 R 8.89 5.19 0.00 1.74 1.71 0.00 3.19 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 25 S 8.46 4.24 0.00 3.41 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 26 L 8.75 4.21 0.00 1.77 1.74 0.95 0.99 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 27 D 7.74 5.18 0.00 2.40 2.46 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 27A F 8.01 4.51 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.52 4.37 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.31 1.92 0.00 29 A 7.78 4.99 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 30 T 8.33 4.34 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 1.24 0.00 0.00 31 T 9.13 4.22 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 0.55 0.00 0.00 32 M 8.67 5.05 0.00 1.66 1.70 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 33 F 9.05 5.19 0.00 2.70 2.39 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 34 W 8.67 5.12 0.00 3.27 3.16 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 35 Y 9.55 5.34 0.00 2.77 2.93 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 36 R 9.12 4.72 0.00 1.38 1.44 0.00 2.59 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.66 0.00 37 Q 8.69 4.82 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 38 F 8.49 5.06 0.00 3.05 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 39 P 0.00 4.34 0.00 2.19 2.13 0.00 4.06 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 *42 S 7.68 4.37 0.00 3.96 3.69 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 43 L 8.62 4.32 0.00 1.60 1.54 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 M 9.22 4.68 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 45 L 8.80 4.09 0.00 1.71 1.57 0.38 1.04 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 46 M 9.11 4.50 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 47 A 7.54 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.48 4.71 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 1.27 0.00 0.00 49 S 8.58 4.64 0.00 3.82 3.77 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 50 N 8.59 5.08 0.00 2.60 2.61 0.00 0.00 6.70 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 51 E 7.90 4.17 0.00 1.72 1.79 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 2.29 2.17 0.00 52 G 9.07 3.99 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 0.00 0.00 0.00 52A S 7.27 4.70 0.00 3.84 3.77 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 53 K 8.16 4.31 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.40 7.81 54 A 8.28 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.38 4.42 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 1.21 0.00 0.00 56 Y 8.50 5.08 0.00 2.86 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 57 E 9.02 4.38 0.00 1.94 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 2.45 2.55 0.00 58 Q 8.62 4.12 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 59 G 9.22 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 60 V 7.42 4.27 2.32 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 0.81 0.00 0.00 0.90 0.00 0.00 61 E 8.68 4.34 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 62 K 8.34 2.64 0.00 1.75 1.64 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 63 D 8.37 4.59 0.00 2.74 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 64 K 7.95 3.89 0.00 1.95 1.19 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.32 7.81 65 F 7.34 5.20 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 66 L 8.09 4.28 0.00 1.55 1.57 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.27 5.00 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.93 0.00 0.00 68 N 8.87 5.01 0.00 2.60 2.68 0.00 0.00 6.11 7.82 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 69 H 8.29 5.57 0.00 3.19 3.09 0.00 5.67 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 70 A 8.23 4.49 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 71 S 7.53 4.76 0.00 3.93 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 72 L 8.35 4.23 0.00 1.69 1.69 0.90 0.59 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 73 T 7.73 4.11 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 1.15 0.00 0.00 74 L 7.61 5.33 0.00 1.65 1.47 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.19 5.01 0.00 3.67 3.63 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 76 T 8.92 5.11 4.23 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 1.23 0.00 0.00 77 L 8.38 4.49 0.00 0.27 0.23 0.80 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.83 5.42 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 1.12 0.00 0.00 79 V 8.12 4.01 1.81 0.00 0.00 0.00 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 0.70 0.00 0.00 80 T 7.93 4.12 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 81 S 8.58 3.64 0.00 3.92 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 82 A 8.29 4.44 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 83 H 9.18 5.15 0.00 3.19 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.56 0.00 2.22 2.17 0.00 3.93 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 2.16 2.09 0.00 85 E 8.23 4.13 0.00 2.16 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 0.00 2.36 2.46 0.00 86 D 8.21 4.88 0.00 2.94 2.95 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 87 S 8.32 4.55 0.00 4.05 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 88 G 7.57 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 F 7.26 5.54 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.45 5.02 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.84 5.13 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 1.06 0.00 0.00 92 C 9.08 5.04 0.00 1.60 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 5.01 0.00 3.09 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.70 5.24 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 95 L 9.32 4.94 0.00 1.77 1.73 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.67 5.25 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 97 G 8.15 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 *103 D 7.47 4.54 0.00 2.50 2.57 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 0.00 104 T 7.46 4.09 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 0.44 0.00 0.00 105 Q 8.47 4.48 0.00 1.76 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 106 Y 9.06 4.76 0.00 2.93 2.83 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 0.00 107 F 9.16 5.09 0.00 2.88 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 0.00 108 G 9.23 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 0.00 109 P 0.00 4.39 0.00 2.11 2.19 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 110 G 8.53 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 0.00 0.00 0.00 111 T 7.95 5.00 4.31 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 1.33 0.00 0.00 112 R 9.36 5.24 0.00 2.15 1.96 0.00 3.06 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 113 L 9.31 5.36 0.00 1.87 1.89 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 T 9.16 4.93 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 1.26 0.00 0.00 115 V 9.01 4.87 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 1.03 0.00 0.00 0.96 0.00 0.00 116 L 8.62 4.48 0.00 1.62 1.49 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.