NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2745 8.1593 117.3859 63.9489 69.2935 173.5340 3 T 4.0676 7.3929 116.1374 59.9702 71.6284 173.1731 4 P 4.1064 0.0000 0.0000 65.6808 31.6777 180.2361 5 S 4.1291 7.9438 111.6196 61.5265 62.4037 175.9098 6 M 3.9863 7.9367 121.3453 58.4072 31.6202 178.5696 7 E 3.8284 8.3437 119.0389 59.4436 29.6427 178.9145 8 D 4.2977 8.0506 118.0434 57.5020 41.1758 178.0107 9 Y 3.8592 8.1440 117.3284 61.0368 37.8311 178.3439 10 I 3.7913 8.0023 120.8672 64.2035 37.1768 178.0271 11 E 3.9533 8.5528 120.5759 59.4645 29.4752 178.7550 12 Q 3.9830 8.1545 119.4754 59.1889 29.1151 178.1686 13 I 3.7363 8.2583 121.3394 64.5710 37.1699 177.7709 14 Y 4.0379 8.5090 120.7745 60.9701 38.5273 178.0720 15 M 4.0939 8.3949 119.6560 58.3451 32.0880 178.7400 16 L 3.8960 8.0963 119.2253 57.8419 41.8056 179.6435 17 I 3.7349 7.7690 119.7237 64.4210 36.7703 178.4100 18 E 3.8392 7.6957 118.5601 58.8453 29.2558 178.8037 19 E 3.9855 8.0684 119.0281 58.9101 29.9638 178.0628 20 K 4.0992 8.0253 116.2787 56.0557 33.1513 177.6101 21 G 4.0121 8.5653 105.7143 45.1819 0.0000 172.3941 22 Y 4.6058 6.3341 114.9712 56.0787 40.3216 173.9643 23 A 4.5796 8.4590 122.5335 49.9367 20.6291 176.5020 24 R 4.3956 8.4425 121.2360 56.1465 32.6260 177.6947 25 V 3.6738 8.5000 121.9593 66.3157 31.4017 178.5791 26 S 4.1328 8.0590 113.2886 61.8067 62.7575 176.2028 27 D 4.4207 8.0890 122.2322 56.8247 40.6126 178.7262 28 I 3.6856 8.0014 120.3071 64.1804 37.1464 178.2457 29 A 4.0059 8.5149 122.0721 55.1640 18.0927 179.3708 30 E 3.8658 8.6521 118.0365 59.3562 29.5234 178.8751 31 A 3.9878 8.1131 120.0852 54.6307 18.5617 178.7092 32 L 4.1692 7.8554 114.3005 53.5691 42.9265 176.2276 33 A 3.7334 7.5604 121.2222 53.4990 16.3396 176.4084 34 V 4.5963 7.6967 112.3306 59.7208 36.3669 175.7863 35 H 4.4307 8.5300 120.5556 55.1352 30.4674 174.2929 36 P 4.3428 0.0000 0.0000 66.0636 30.8151 178.8896 37 S 4.1580 8.2462 113.7028 61.4791 62.9375 176.5271 38 S 4.1557 8.1835 118.7468 61.2748 62.5889 176.8158 39 V 3.8154 7.8509 120.4243 66.3887 31.3529 177.9200 40 T 3.8631 8.2068 115.7537 66.5678 68.4173 176.3961 41 K 3.8687 8.1178 121.3839 59.6929 32.1766 178.5383 42 M 3.7774 7.8240 118.4092 58.4873 32.0436 178.2198 43 V 3.5912 8.2169 118.7104 66.2737 31.6281 178.0138 44 Q 4.0097 8.2945 117.8122 58.7099 28.4132 178.7842 45 K 3.9456 7.8220 120.2785 59.5570 32.2742 179.0205 46 L 4.1843 8.3670 119.6602 57.5478 41.4340 179.1646 47 D 4.8201 8.1734 119.6640 56.8281 41.0513 177.9958 48 K 4.0251 7.9633 118.7900 59.5699 32.1843 177.4197 49 D 4.6385 8.1264 116.1978 53.6388 40.7958 176.1060 50 E 3.7647 7.9654 117.6465 57.7761 27.5679 175.1175 51 Y 4.4078 8.2966 118.7914 59.2181 38.9092 175.2417 52 L 4.7786 7.5059 118.2210 55.3719 42.3572 173.1828 53 I 4.6017 7.5696 117.4221 61.7865 40.2261 176.8090 *59 G 3.7173 7.5401 111.4429 45.4167 0.0000 171.9187 60 L 4.1346 7.7687 120.3377 55.4408 43.4810 176.8325 61 V 4.5125 8.3458 125.7807 60.9372 34.4379 174.5309 62 L 4.8166 8.7288 128.0037 54.8433 42.7023 177.0375 63 T 4.4336 8.5183 113.3090 60.3063 70.5902 175.9190 64 S 4.1817 8.5696 116.2299 61.4129 62.5144 176.4075 65 K 4.0339 8.1010 122.8581 59.4476 31.9853 178.9416 66 G 3.8581 8.0798 105.5700 47.6885 0.0000 175.9533 67 K 4.2523 8.6492 121.2749 59.2300 32.2099 179.5248 68 K 3.9646 8.3218 118.8890 59.6018 31.9691 179.5095 69 I 3.8967 7.7665 119.9228 64.2215 37.0663 178.6103 70 G 3.3590 8.3328 106.9992 47.6416 0.0000 175.5021 71 K 3.3728 7.6242 122.5560 58.9448 32.0761 179.0656 72 R 4.1256 7.8415 117.9571 59.4220 29.9908 179.0504 73 L 3.9704 8.3082 119.2001 57.7525 41.4781 179.8485 74 V 3.6200 7.9109 118.3185 65.9211 31.3933 177.4123 75 Y 4.1280 8.1617 119.3482 60.8396 38.5997 178.3806 76 R 3.5900 8.4075 119.2462 59.3606 30.1616 178.4897 77 H 3.9373 8.3557 118.1163 59.3641 29.8738 177.1484 78 E 4.0142 8.4029 120.5331 59.2964 29.1889 179.1350 79 L 3.8335 7.8918 120.6700 58.1194 42.1122 179.0801 80 L 4.0770 8.0176 119.0942 57.7337 41.4018 179.3907 81 E 3.9710 8.2207 118.7125 59.4742 29.4263 179.3259 82 Q 3.9942 8.2681 118.1825 58.7331 28.7443 178.6262 83 F 4.2846 8.5205 121.8952 61.5657 39.5582 177.2946 84 L 3.3647 7.7840 118.4647 57.2669 41.2886 179.6405 85 R 3.7672 8.1582 119.0678 59.5425 29.8832 178.5573 86 I 3.6409 7.8738 118.7868 64.1262 37.1788 177.5991 87 I 3.8761 7.1174 110.7039 61.0346 37.6567 176.5711 88 G 3.8216 7.5738 108.9145 45.3748 0.0000 174.0818 89 V 3.6121 7.2633 119.2608 62.0383 32.1748 175.7308 90 D 4.3406 8.6643 126.1389 54.7698 41.5999 176.7184 91 E 3.8776 9.2084 125.0307 59.7272 29.2469 178.9396 92 E 4.0233 8.1926 115.3223 58.9364 29.3145 178.2330 93 K 4.3178 8.2028 118.0297 57.0387 32.5015 178.7523 94 I 3.6623 7.5563 120.8144 64.4617 37.0130 177.2206 95 Y 4.1411 8.0986 119.6697 61.1711 38.4782 177.9625 96 N 4.1427 8.2692 116.5394 56.2371 38.5173 177.1204 97 D 4.2699 7.7364 119.6072 57.3134 40.8909 178.8006 98 V 3.4620 7.7313 118.7437 66.1310 31.2403 177.7720 99 E 4.1123 7.2672 118.5877 58.5926 29.3308 179.1084 100 G 3.7906 7.6460 104.1351 45.9042 0.0000 174.7760 101 I 4.3731 7.4384 114.2620 61.4863 38.7991 177.2921 102 E 3.6757 8.1483 119.3374 59.5170 29.1606 178.0900 103 H 4.6778 7.7498 113.1168 55.8377 28.8044 174.8324 104 H 4.9237 8.2906 115.2820 55.1572 29.5131 173.0842 105 L 4.6847 7.5547 119.4515 52.5293 43.8977 177.2704 106 S 4.3703 8.2828 117.8454 57.9315 65.1588 175.4792 107 W 4.0500 8.6894 122.4302 59.6940 28.8052 178.2785 108 N 4.3831 8.3246 116.7762 56.9387 38.4190 176.9364 109 S 4.1151 8.1063 116.4673 61.5487 62.8411 176.7094 110 I 3.5970 7.8059 122.4404 64.6032 36.8876 178.2689 111 D 4.5305 8.7476 120.0767 57.5516 40.6659 179.1314 112 R 4.0135 8.2025 118.5542 59.0890 29.9354 179.1434 113 I 3.6921 7.9501 120.2004 63.9295 36.9534 178.6421 114 G 3.6669 8.2410 106.9378 47.9769 0.0000 175.5538 115 D 4.4387 8.2155 121.4368 56.8593 40.9081 178.6781 116 L 3.9624 7.9471 120.9845 58.1514 42.0744 179.1860 117 V 3.8707 8.1830 118.4475 66.1461 31.4925 177.7059 118 Q 4.0005 8.4140 119.3900 59.2506 28.6541 177.3821 119 Y 4.0185 8.0313 119.8775 61.0762 39.0966 178.1572 120 F 4.2656 8.2151 117.8992 60.3959 38.8704 177.8035 121 E 4.1941 8.4827 118.0533 59.1382 29.3188 178.8118 122 E 4.4141 8.1942 116.7832 57.6974 30.2050 176.4789 123 D 4.3721 7.6274 118.1062 51.6108 42.6412 174.6334 124 D 4.3737 8.8402 127.0438 57.2278 41.0173 177.6941 125 A 4.0227 8.2218 121.3896 55.2668 18.2861 179.7947 126 R 3.9590 8.2020 116.6628 59.2368 29.9916 179.4517 127 K 4.0921 8.0487 117.9257 59.4410 32.1972 179.3373 128 K 3.9677 8.2514 118.7816 59.6110 31.8297 179.1392 129 D 4.4064 8.3595 119.1741 57.2958 40.5713 178.5857 130 L 4.0557 8.2471 120.8702 58.1947 41.8686 179.2430 131 K 3.9902 8.1419 117.6927 59.4444 32.1546 179.2288 132 S 4.2818 8.1218 115.6328 61.5941 62.1748 176.7840 133 I 3.7935 7.6097 122.7501 64.3860 36.6213 178.4459 134 Q 4.0867 7.5906 117.8734 58.4543 28.4812 178.7048 135 K 4.1265 7.5672 119.0378 59.0407 32.2645 177.1148 136 K 4.0275 7.5048 121.1676 57.0211 32.1215 176.2975 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 8.16 4.27 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 1.18 0.00 0.00 3 T 7.39 4.07 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 1.21 0.00 0.00 4 P 0.00 4.11 0.00 2.17 2.03 0.00 3.59 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 2.15 2.11 0.00 5 S 7.94 4.13 0.00 3.92 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 6 M 7.94 3.99 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 7 E 8.34 3.83 0.00 1.87 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 2.24 2.48 0.00 8 D 8.05 4.30 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 9 Y 8.14 3.86 0.00 3.22 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 10 I 8.00 3.79 1.95 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.93 0.00 0.00 11 E 8.55 3.95 0.00 2.11 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 0.00 2.35 2.36 0.00 12 Q 8.15 3.98 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 13 I 8.26 3.74 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.99 0.00 0.00 14 Y 8.51 4.04 0.00 3.18 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 15 M 8.39 4.09 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.70 0.00 16 L 8.10 3.90 0.00 1.81 1.80 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.77 3.73 1.82 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 1.52 1.05 0.82 0.00 0.00 18 E 7.70 3.84 0.00 1.93 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 1.70 2.06 0.00 19 E 8.07 3.99 0.00 1.87 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 0.00 2.21 2.27 0.00 20 K 8.03 4.10 0.00 1.17 0.74 0.00 1.58 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.20 7.81 21 G 8.57 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 22 Y 6.33 4.61 0.00 3.04 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 23 A 8.46 4.58 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 24 R 8.44 4.40 0.00 1.95 1.90 0.00 3.18 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 25 V 8.50 3.67 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 1.03 0.00 0.00 0.97 0.00 0.00 26 S 8.06 4.13 0.00 4.10 4.12 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 27 D 8.09 4.42 0.00 2.92 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 28 I 8.00 3.69 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.91 0.00 0.00 29 A 8.51 4.01 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 30 E 8.65 3.87 0.00 2.07 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 0.00 2.30 2.32 0.00 31 A 8.11 3.99 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 32 L 7.86 4.17 0.00 1.55 1.55 -0.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.56 3.73 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 34 V 7.70 4.60 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 0.77 0.00 0.00 0.99 0.00 0.00 35 H 8.53 4.43 0.00 3.25 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.34 0.00 2.27 2.27 0.00 3.20 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 37 S 8.25 4.16 0.00 4.12 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 0.00 38 S 8.18 4.16 0.00 4.17 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 39 V 7.85 3.82 2.34 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 1.23 0.00 0.00 1.17 0.00 0.00 40 T 8.21 3.86 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 1.22 0.00 0.00 41 K 8.12 3.87 0.00 1.82 1.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 42 M 7.82 3.78 0.00 1.45 1.28 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 43 V 8.22 3.59 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 1.01 0.00 0.00 1.03 0.00 0.00 44 Q 8.29 4.01 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 45 K 7.82 3.95 0.00 1.91 1.94 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 L 8.37 4.18 0.00 1.89 1.84 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.17 4.82 0.00 2.89 2.88 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 48 K 7.96 4.03 0.00 1.80 2.03 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 49 D 8.13 4.64 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.97 3.76 0.00 1.87 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 0.00 2.18 2.34 0.00 51 Y 8.30 4.41 0.00 3.23 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 52 L 7.51 4.78 0.00 2.07 1.85 0.98 0.59 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 53 I 7.57 4.60 1.90 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 1.21 1.36 0.93 0.00 0.00 *59 G 7.54 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 60 L 7.77 4.13 0.00 1.77 1.74 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.35 4.51 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 0.84 0.00 0.00 1.05 0.00 0.00 62 L 8.73 4.82 0.00 1.67 1.70 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.52 4.43 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 64 S 8.57 4.18 0.00 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.10 4.03 0.00 1.80 1.93 0.00 1.53 0.00 0.00 1.06 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 66 G 8.08 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 67 K 8.65 4.25 0.00 2.02 2.04 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.62 1.81 7.81 68 K 8.32 3.96 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.75 7.81 69 I 7.77 3.90 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.09 0.91 0.00 0.00 70 G 8.33 3.36 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 0.00 71 K 7.62 3.37 0.00 1.76 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 72 R 7.84 4.13 0.00 2.24 2.36 0.00 3.70 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 73 L 8.31 3.97 0.00 1.75 1.72 0.94 0.71 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 74 V 7.91 3.62 2.25 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 1.19 0.00 0.00 1.14 0.00 0.00 75 Y 8.16 4.13 0.00 3.19 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.41 3.59 0.00 1.91 1.74 0.00 2.31 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.87 0.00 77 H 8.36 3.94 0.00 3.46 3.43 0.00 5.78 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 78 E 8.40 4.01 0.00 2.10 1.99 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 2.61 2.52 0.00 79 L 7.89 3.83 0.00 1.12 1.43 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.02 4.08 0.00 1.79 1.68 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.22 3.97 0.00 2.19 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 0.00 2.30 2.47 0.00 82 Q 8.27 3.99 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 83 F 8.52 4.28 0.00 3.03 3.30 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 84 L 7.78 3.36 0.00 1.60 1.50 0.85 0.26 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 85 R 8.16 3.77 0.00 1.94 2.05 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.87 3.64 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.60 0.00 0.00 87 I 7.12 3.88 1.67 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.22 0.77 0.00 0.00 88 G 7.57 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 89 V 7.26 3.61 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 0.72 0.00 0.00 0.79 0.00 0.00 90 D 8.66 4.34 0.00 2.72 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 91 E 9.21 3.88 0.00 2.05 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 0.00 2.37 2.46 0.00 92 E 8.19 4.02 0.00 2.16 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 2.27 2.40 0.00 93 K 8.20 4.32 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.45 7.81 94 I 7.56 3.66 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.90 0.00 0.00 95 Y 8.10 4.14 0.00 3.05 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 96 N 8.27 4.14 0.00 2.81 2.83 0.00 0.00 7.04 8.08 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 97 D 7.74 4.27 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.73 3.46 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 0.74 0.00 0.00 0.92 0.00 0.00 99 E 7.27 4.11 0.00 1.82 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 1.53 1.47 0.00 100 G 7.65 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 0.00 0.00 0.00 101 I 7.44 4.37 1.85 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 1.81 0.70 0.97 0.00 0.00 102 E 8.15 3.68 0.00 1.92 2.17 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 2.22 1.60 0.00 103 H 7.75 4.68 0.00 2.93 3.30 0.00 5.64 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 0.00 104 H 8.29 4.92 0.00 3.16 3.22 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.55 4.68 0.00 1.45 1.43 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.28 4.37 0.00 4.09 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 0.00 107 W 8.69 4.05 0.00 3.46 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.32 4.38 0.00 2.90 2.86 0.00 0.00 7.24 7.63 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 0.00 109 S 8.11 4.12 0.00 4.02 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 0.00 110 I 7.81 3.60 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.27 0.92 0.00 0.00 111 D 8.75 4.53 0.00 2.77 2.81 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 0.00 0.00 0.00 0.00 112 R 8.20 4.01 0.00 1.80 1.94 0.00 3.29 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 113 I 7.95 3.69 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.51 0.48 0.00 0.00 114 G 8.24 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 0.00 115 D 8.22 4.44 0.00 2.88 2.75 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 0.00 116 L 7.95 3.96 0.00 1.88 1.92 1.03 0.86 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 0.00 117 V 8.18 3.87 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 1.12 0.00 0.00 1.15 0.00 0.00 118 Q 8.41 4.00 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 8.03 4.02 0.00 2.94 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 0.00 120 F 8.22 4.27 0.00 3.36 3.09 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 0.00 0.00 0.00 121 E 8.48 4.19 0.00 2.04 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 2.61 2.54 0.00 122 E 8.19 4.41 0.00 2.10 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 0.00 2.47 2.18 0.00 123 D 7.63 4.37 0.00 2.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.84 4.37 0.00 2.76 2.67 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 0.00 125 A 8.22 4.02 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 0.00 126 R 8.20 3.96 0.00 1.91 1.85 0.00 2.57 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 127 K 8.05 4.09 0.00 2.03 1.86 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.81 7.81 128 K 8.25 3.97 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.64 7.81 129 D 8.36 4.41 0.00 2.95 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 0.00 130 L 8.25 4.06 0.00 1.97 1.85 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.14 3.99 0.00 1.92 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.67 7.81 132 S 8.12 4.28 0.00 4.07 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 0.00 133 I 7.61 3.79 2.07 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 1.55 1.25 0.93 0.00 0.00 134 Q 7.59 4.09 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 135 K 7.57 4.13 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.74 7.81 136 K 7.50 4.03 0.00 1.89 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.