NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3909 8.1648 122.9868 50.8637 20.9593 175.3395 2 N 4.0481 8.9096 112.9125 52.1373 34.3663 173.0335 3 K 4.6941 7.8140 121.0808 55.3102 35.3953 176.2005 4 G 3.8627 8.3847 103.3769 44.6269 0.0000 175.3397 5 F 4.3114 9.4737 123.2615 58.0510 41.2031 170.6091 6 L 3.6575 8.0523 128.7886 54.1564 40.9056 175.4448 *9 V 3.9731 8.1315 119.2633 62.1058 33.0192 174.9226 10 R 4.6390 7.4955 113.8169 54.1571 32.0490 175.2227 11 K 3.9993 8.4465 120.1837 55.9037 32.5304 177.0253 12 G 3.8116 8.4158 115.2741 45.9502 0.0000 171.8861 13 N 4.8824 8.0151 117.4023 51.8699 42.1164 174.0534 14 L 4.0336 8.2742 124.7523 55.7840 41.7323 178.0483 *16 R 4.1931 7.9212 115.7916 55.9136 31.5330 176.4461 *18 C 4.8785 8.0454 112.9925 57.3848 42.4182 174.1049 19 L 4.5286 7.6798 120.4061 53.5024 41.4465 174.4890 *22 P 4.4917 0.0000 0.0000 62.9332 32.7247 174.3979 23 C 5.2132 9.2745 113.6179 53.7940 44.8354 173.8212 24 S 4.6233 8.3843 115.3313 57.2227 64.1303 175.4319 25 R 2.8770 7.4905 121.1175 55.9434 27.2706 176.0864 *28 A 4.1323 8.0872 124.3913 51.6758 20.7391 178.9472 29 F 4.2764 8.3942 113.7688 58.6448 38.9518 176.1341 *31 A 4.3205 7.9170 119.4566 51.0483 20.9837 177.7167 32 L 4.4570 7.1859 116.3346 54.6073 41.8286 179.3762 *34 S 4.2021 8.5922 123.1781 58.8815 63.8091 174.3818 35 L 4.1859 8.5255 126.2231 57.9890 41.8140 178.7711 36 S 4.1918 8.1259 112.7760 61.1390 62.3574 175.4420 37 A 4.2499 8.3083 122.6119 54.1989 17.8171 179.6431 38 T 4.1435 7.4155 114.6924 66.5532 68.6341 176.7802 39 D 4.4860 8.7096 120.9270 57.3791 41.0678 178.4839 40 A 4.2464 7.8081 121.2001 56.1309 18.3767 178.6964 41 F 4.2215 8.7996 119.7074 59.9773 39.3113 176.6883 42 W 4.3736 9.8186 128.5943 60.6729 30.2821 178.5714 43 A 3.8688 7.9058 120.9594 54.8430 17.8370 179.0901 44 K 4.1223 7.5025 113.2075 57.8311 33.2220 177.4753 45 Y 3.9686 7.3483 121.8451 60.0224 38.9959 177.4305 46 T 3.2167 6.7824 108.0754 64.0858 68.7637 174.8982 47 A 4.0855 7.1844 122.1410 53.3399 18.8758 176.9745 48 C 4.7771 7.5152 112.7145 56.2383 40.9430 175.4260 49 E 3.4140 7.9037 122.6533 58.7704 29.1654 177.4518 50 S 4.6067 7.8271 110.9170 57.9578 63.3321 173.9693 51 A 4.6833 8.1387 121.5560 52.5241 20.0354 179.1356 52 R 3.9099 8.3493 119.8789 60.0310 30.2593 177.1572 53 N 5.0712 7.6978 112.9207 50.1993 41.5946 172.4515 54 P 4.4368 0.0000 0.0000 62.9632 32.0002 176.3661 55 R 4.3824 8.3437 116.0835 56.9607 30.3248 176.8936 56 E 4.1219 7.9539 117.4326 58.0758 29.9157 177.5070 57 K 4.0527 7.7577 119.2473 58.4000 33.1816 178.3219 58 L 4.3916 7.6137 121.5011 57.5024 41.6462 178.5202 59 N 4.4306 8.2902 116.3331 55.8246 38.1085 177.1690 60 E 3.9269 7.5381 120.4533 59.4874 30.3028 177.6812 61 C 4.4153 7.8646 117.7540 59.4688 43.4186 175.4466 62 L 3.9831 7.8571 120.1277 57.5217 41.1631 178.8873 63 E 4.1101 8.0751 117.9844 57.1292 29.1807 178.6886 64 G 4.0428 7.6120 104.9484 45.9312 0.0000 174.9514 65 N 4.4664 7.6824 116.9609 54.4953 38.9163 172.6466 66 C 5.4801 7.8963 111.5888 53.2318 43.3842 173.4088 67 A 4.6160 9.2093 123.5031 51.5602 19.6871 175.9435 68 E 4.6040 9.5477 124.2499 54.1853 32.2466 175.3581 69 G 4.0712 9.0213 117.0346 46.8404 0.0000 175.5749 70 V 3.6687 8.4308 124.9498 62.9430 32.1301 174.5742 71 G 3.6436 7.6214 106.2283 47.0301 0.0000 173.6948 72 M 4.4437 7.7687 115.7900 56.0999 33.0505 175.8917 73 N 4.5754 7.8758 114.7478 53.8523 38.5374 174.4049 74 Y 4.4874 7.8594 121.5576 58.1149 39.2138 175.8953 75 R 4.1801 7.9037 126.6379 55.8251 31.1821 175.0811 76 G 3.5398 5.3800 104.1646 43.6961 0.0000 173.3346 77 N 3.4512 7.9556 114.1942 52.6222 39.1823 175.4762 78 V 4.3764 7.8644 118.1204 61.6068 32.9084 175.6751 79 S 4.9385 8.7378 118.7421 57.5879 64.3528 173.1490 80 V 4.3057 7.5883 121.0958 61.0254 32.9997 175.6550 81 T 4.1758 7.9632 116.5419 61.3647 69.4409 174.7821 82 R 3.8197 8.4640 121.0526 59.7227 29.9962 178.1363 83 S 4.2612 7.9771 112.0165 59.4344 63.1041 175.1355 84 G 4.0449 7.5232 107.5830 45.1219 0.0000 174.1934 85 I 3.7045 7.7419 121.2824 61.4243 37.5268 175.3766 86 E 4.3463 8.7572 124.6480 57.0539 30.6849 176.6065 87 C 4.8723 8.0913 119.1769 55.5980 41.8749 173.7336 88 Q 4.2156 8.7798 124.6206 55.6875 29.4733 175.8984 89 L 4.0975 8.5623 125.3952 55.0755 42.1744 178.5943 90 W 4.2798 8.8015 123.4849 59.4101 29.1948 177.6544 91 R 4.2401 7.9664 112.8617 57.1761 29.6864 176.5851 92 S 4.3407 7.4492 113.2920 58.3797 62.8531 173.3152 93 R 4.3642 8.2178 120.8889 55.7334 30.7808 174.5810 94 Y 4.7877 7.7234 113.3836 56.0344 41.7659 173.8118 95 P 4.4762 0.0000 0.0000 64.7057 31.9149 176.0072 96 H 4.7395 9.0501 117.0575 53.5072 31.3794 173.6851 97 K 4.0522 8.2867 122.9909 54.5569 32.1429 174.7218 98 P 3.6890 0.0000 0.0000 62.5648 31.6295 176.5354 99 E 4.4764 8.4656 118.6695 56.3454 30.7792 175.9109 100 I 4.5098 7.6104 120.9191 59.7305 38.9551 174.2526 101 N 4.5429 8.4001 120.2464 52.1617 39.2421 175.2000 102 S 4.0250 8.5061 114.3226 61.9022 62.9591 177.0407 103 T 4.1606 8.2129 113.7582 64.4366 67.4555 175.8556 104 T 4.2307 8.0435 117.1065 66.2728 68.9564 174.9450 105 H 4.9489 8.4526 118.2550 53.8208 29.9693 172.2268 106 P 4.5456 0.0000 0.0000 64.3243 32.0952 179.0821 107 G 3.6478 8.0767 107.5158 47.9718 0.0000 174.0114 108 A 4.1388 7.3504 120.6526 52.0820 19.2057 176.9385 109 D 4.8260 7.8166 118.1089 52.6294 40.8467 177.1538 110 L 3.5045 7.2863 122.4700 53.5695 39.9078 176.6479 111 R 4.7454 7.7615 120.5413 54.6746 34.4299 178.0344 112 E 3.5262 8.1452 119.6709 57.7767 28.8165 176.1939 113 N 4.6316 7.6449 121.7484 53.2581 37.8341 174.1510 114 F 4.8863 7.6119 116.7172 57.9706 39.5834 175.1082 115 C 4.6705 9.4302 123.8836 58.3077 40.4835 172.9375 116 R 4.4356 8.9058 122.2418 57.1383 33.5232 173.8531 117 N 4.3618 7.2309 116.4346 53.5256 36.0317 171.8129 118 P 4.3776 0.0000 0.0000 64.7435 32.3987 178.3291 119 D 4.5534 8.4115 117.2101 53.5188 40.2496 175.9077 120 G 3.7799 11.3000 107.2286 46.0249 0.0000 174.1245 121 S 4.2697 8.2829 113.3960 57.8219 63.7951 175.2387 122 I 3.9240 8.3169 116.0450 62.9578 37.6047 176.4167 123 T 4.2824 7.9167 110.5549 61.1785 69.0744 175.8510 124 G 4.3226 7.8951 111.2844 43.9298 0.0000 171.0608 125 P 4.5162 0.0000 0.0000 63.2046 32.2907 175.7216 126 W 5.3722 8.0811 119.9802 55.6126 31.8655 172.0961 127 C 4.2293 8.6417 111.8685 55.3838 39.9893 172.3233 128 Y 4.6628 7.2180 117.0531 57.6995 39.0385 175.5354 129 T 4.8610 9.4831 114.5460 60.6187 70.5609 175.0383 130 T 4.0658 8.1762 112.6030 64.0587 69.3621 175.7307 131 S 4.1167 8.1237 117.1675 57.8309 62.6650 172.7674 132 P 4.2436 0.0000 0.0000 65.8512 31.2643 177.7602 133 T 4.0025 7.7346 107.0179 62.9195 69.0695 174.0176 134 L 4.4666 7.3667 123.7216 52.8215 41.8834 175.6257 135 R 3.2776 8.1027 127.2350 58.0492 30.0966 176.1469 136 R 4.7994 7.1464 117.1918 54.5212 33.7285 174.1791 137 E 4.6980 8.1987 117.1814 55.1861 33.8138 174.8852 138 E 4.4766 8.6986 127.1644 56.8823 31.0277 175.9664 139 C 5.4064 9.3445 122.0359 55.2046 43.8694 174.5264 140 S 4.4821 8.5853 116.0267 56.8138 62.1679 173.2689 141 V 4.2678 7.5921 125.3244 59.8778 34.0101 173.4670 142 P 4.2902 0.0000 0.0000 63.2427 32.2370 175.3038 143 V 4.3937 8.2697 124.4143 61.8983 32.6568 175.9928 144 C 4.1192 9.8342 126.1846 57.5522 40.7072 170.6660 145 G 3.7572 8.3107 115.6584 45.1061 0.0000 174.1286 *146 Q 4.1219 8.8536 125.1963 54.8686 28.8321 175.1423 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 A 8.16 4.39 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 2 N 8.91 4.05 0.00 3.01 2.95 0.00 0.00 6.66 6.73 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 3 K 7.81 4.69 0.00 1.67 1.74 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.53 7.81 4 G 8.38 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 5 F 9.47 4.31 0.00 3.01 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 6 L 8.05 3.66 0.00 1.76 1.66 0.37 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *9 V 8.13 3.97 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 0.80 0.00 0.00 0.88 0.00 0.00 10 R 7.50 4.64 0.00 1.91 1.88 0.00 3.11 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 11 K 8.45 4.00 0.00 1.71 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 12 G 8.42 3.81 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 0.00 0.00 0.00 13 N 8.02 4.88 0.00 2.61 2.61 0.00 0.00 6.98 7.78 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 14 L 8.27 4.03 0.00 1.56 1.43 0.37 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 7.92 4.19 0.00 1.84 1.97 0.00 3.33 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 *18 C 8.05 4.88 0.00 3.20 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 19 L 7.68 4.53 0.00 1.72 1.74 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.49 0.00 2.37 2.32 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 23 C 9.27 5.21 0.00 3.11 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 24 S 8.38 4.62 0.00 3.95 3.94 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 25 R 7.49 2.88 0.00 1.07 1.38 0.00 2.81 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 *28 A 8.09 4.13 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.39 4.28 0.00 3.09 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 *31 A 7.92 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.19 4.46 0.00 1.73 0.89 0.72 0.56 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 *34 S 8.59 4.20 0.00 4.03 4.02 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 35 L 8.53 4.19 0.00 1.99 1.81 0.95 0.90 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 36 S 8.13 4.19 0.00 3.96 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 37 A 8.31 4.25 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 38 T 7.42 4.14 4.60 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 1.41 0.00 0.00 39 D 8.71 4.49 0.00 2.71 2.78 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 0.00 0.00 0.00 40 A 7.81 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.80 4.22 0.00 3.30 3.24 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 42 W 9.82 4.37 0.00 3.58 3.23 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 43 A 7.91 3.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.50 4.12 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.36 7.81 45 Y 7.35 3.97 0.00 1.71 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 6.78 3.22 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 0.17 0.00 0.00 47 A 7.18 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.52 4.78 0.00 2.97 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 49 E 7.90 3.41 0.00 1.63 1.80 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 2.19 2.18 0.00 50 S 7.83 4.61 0.00 3.96 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 51 A 8.14 4.68 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 52 R 8.35 3.91 0.00 1.75 1.99 0.00 3.10 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 53 N 7.70 5.07 0.00 2.63 2.67 0.00 0.00 6.90 8.02 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 54 P 0.00 4.44 0.00 2.29 2.22 0.00 3.41 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 2.07 2.07 0.00 55 R 8.34 4.38 0.00 1.92 1.95 0.00 3.25 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 56 E 7.95 4.12 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 2.34 2.23 0.00 57 K 7.76 4.05 0.00 1.82 2.00 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.40 7.81 58 L 7.61 4.39 0.00 2.13 1.79 0.85 0.63 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 59 N 8.29 4.43 0.00 2.81 2.87 0.00 0.00 6.72 8.11 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 60 E 7.54 3.93 0.00 2.06 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 0.00 2.32 2.31 0.00 61 C 7.86 4.42 0.00 3.03 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 62 L 7.86 3.98 0.00 1.70 1.75 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.08 4.11 0.00 2.26 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 2.33 2.46 0.00 64 G 7.61 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 65 N 7.68 4.47 0.00 2.72 2.90 0.00 0.00 6.66 7.54 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 66 C 7.90 5.48 0.00 3.04 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 67 A 9.21 4.62 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 68 E 9.55 4.60 0.00 2.02 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 2.14 2.23 0.00 69 G 9.02 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 70 V 8.43 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 71 G 7.62 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.77 4.44 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 73 N 7.88 4.58 0.00 3.01 3.00 0.00 0.00 5.90 7.57 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 74 Y 7.86 4.49 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.90 4.18 0.00 1.50 1.56 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 76 G 5.38 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.96 3.45 0.00 2.44 2.41 0.00 0.00 6.76 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 78 V 7.86 4.38 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 1.09 0.00 0.00 0.99 0.00 0.00 79 S 8.74 4.94 0.00 4.18 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.59 4.31 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 0.95 0.00 0.00 0.96 0.00 0.00 81 T 7.96 4.18 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 82 R 8.46 3.82 0.00 1.97 2.15 0.00 3.30 0.00 0.00 3.58 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 83 S 7.98 4.26 0.00 3.91 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 84 G 7.52 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 85 I 7.74 3.70 1.88 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 1.42 1.27 0.92 0.00 0.00 86 E 8.76 4.35 0.00 1.89 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 2.41 2.30 0.00 87 C 8.09 4.87 0.00 2.80 2.80 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 88 Q 8.78 4.22 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 89 L 8.56 4.10 0.00 1.67 1.67 0.80 0.97 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 90 W 8.80 4.28 0.00 3.26 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 91 R 7.97 4.24 0.00 1.95 2.11 0.00 3.06 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 92 S 7.45 4.34 0.00 3.83 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 93 R 8.22 4.36 0.00 1.46 1.06 0.00 3.13 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.00 94 Y 7.72 4.79 0.00 2.93 2.78 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 0.00 0.00 0.00 95 P 0.00 4.48 0.00 1.93 2.14 0.00 3.73 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 2.14 2.08 0.00 96 H 9.05 4.74 0.00 3.07 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.29 4.05 0.00 1.70 1.78 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.37 7.81 98 P 0.00 3.69 0.00 2.19 1.52 0.00 3.69 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 2.08 1.66 0.00 99 E 8.47 4.48 0.00 2.18 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 0.00 2.40 2.50 0.00 100 I 7.61 4.51 2.38 0.00 0.00 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 1.43 0.74 1.02 0.00 0.00 101 N 8.40 4.54 0.00 2.95 2.97 0.00 0.00 6.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.51 4.03 0.00 3.91 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 0.00 103 T 8.21 4.16 4.26 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 1.26 0.00 0.00 104 T 8.04 4.23 4.57 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 1.62 0.00 0.00 105 H 8.45 4.95 0.00 3.05 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.55 0.00 2.20 2.26 0.00 3.38 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 107 G 8.08 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 0.00 108 A 7.35 4.14 1.12 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 0.00 0.00 109 D 7.82 4.83 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.29 3.50 0.00 1.37 1.07 -0.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.76 4.75 0.00 2.19 1.93 0.00 3.26 0.00 0.00 3.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 112 E 8.15 3.53 0.00 1.16 1.12 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 1.75 2.02 0.00 113 N 7.64 4.63 0.00 2.63 2.64 0.00 0.00 5.91 7.43 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 0.00 114 F 7.61 4.89 0.00 3.29 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 0.00 115 C 9.43 4.67 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.91 4.44 0.00 1.24 1.51 0.00 3.29 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.14 0.00 117 N 7.23 4.36 0.00 3.06 3.15 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.38 0.00 2.09 1.92 0.00 4.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.41 0.00 119 D 8.41 4.55 0.00 2.93 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 G 11.30 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.28 4.27 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.32 3.92 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.91 0.00 0.00 123 T 7.92 4.28 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 1.19 0.00 0.00 124 G 7.90 4.32 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 0.00 125 P 0.00 4.52 0.00 2.02 2.41 0.00 3.59 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 126 W 8.08 5.37 0.00 3.53 3.23 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 0.00 127 C 8.64 4.23 0.00 2.35 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 0.00 128 Y 7.22 4.66 0.00 2.93 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 0.00 129 T 9.48 4.86 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 1.22 0.00 0.00 130 T 8.18 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 1.21 0.00 0.00 131 S 8.12 4.12 0.00 3.89 3.84 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 0.00 132 P 0.00 4.24 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 133 T 7.73 4.00 4.26 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 1.23 0.00 0.00 134 L 7.37 4.47 0.00 1.56 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.10 3.28 0.00 1.79 1.77 0.00 3.20 0.00 0.00 3.48 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 136 R 7.15 4.80 0.00 1.39 1.41 0.00 2.66 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.48 0.00 137 E 8.20 4.70 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 2.11 2.14 0.00 138 E 8.70 4.48 0.00 2.27 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 0.00 2.39 2.36 0.00 139 C 9.34 5.41 0.00 2.91 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 0.00 140 S 8.59 4.48 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.59 4.27 1.57 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 0.08 0.00 0.00 0.34 0.00 0.00 142 P 0.00 4.29 0.00 2.12 1.98 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 143 V 8.27 4.39 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 0.85 0.00 0.00 0.95 0.00 0.00 144 C 9.83 4.12 0.00 2.96 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 0.00 145 G 8.31 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 Q 8.85 4.12 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.