NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1246 8.2601 123.5823 52.2025 20.0915 175.7628 *2 A 4.4371 8.4990 118.8198 52.2220 20.0607 179.4936 3 K 4.5590 7.3520 112.8905 55.7695 32.8067 175.2361 4 N 4.3668 7.7797 115.2743 53.7478 41.6546 172.7080 5 K 4.3872 8.3217 119.6344 54.9987 34.9724 174.6056 6 L 4.4391 8.3286 128.1818 53.5601 41.8819 175.9224 7 L 4.3098 8.5957 127.7476 56.8364 43.4597 178.4136 8 R 4.2993 7.5336 116.2285 57.1212 31.3517 174.1093 *10 D 4.6054 9.4690 113.0427 53.3189 42.6856 173.4176 11 N 4.6848 7.2479 112.2304 52.4378 39.6360 173.7815 12 V 4.5234 7.9736 118.9069 59.7937 34.0614 174.8061 13 S 5.2402 8.4802 117.5985 56.7726 65.8137 173.2137 14 I 4.5736 8.6988 121.9765 59.5730 40.8520 174.4743 15 V 4.5215 8.4703 126.6080 62.0606 32.2481 175.2499 16 V 4.5362 8.9536 120.7769 59.5147 34.8574 175.8557 17 E 4.0019 9.8217 123.3178 58.5081 29.8473 177.3184 18 S 4.6052 8.4655 114.3353 55.7735 64.6834 174.0274 19 L 3.9758 8.4675 131.3547 58.2544 42.0523 178.1476 20 D 4.4032 8.1467 118.3849 57.7672 40.8153 178.6534 21 N 4.3861 8.3544 116.4669 56.1397 38.5195 177.4759 22 A 4.1495 8.1457 122.2652 55.1847 18.5523 179.6034 23 I 3.7669 8.2227 118.8056 64.7190 37.3356 178.3983 24 S 4.2533 8.1350 113.7861 61.4407 62.2770 176.0095 25 F 4.0424 8.3471 123.0687 61.4992 39.2175 177.2278 26 F 3.7708 8.3459 116.9514 59.9893 38.6506 177.6225 27 E 4.5859 8.1558 120.1368 58.9585 28.9944 179.0842 28 E 3.9099 7.6269 117.2941 59.3444 29.5178 179.1949 29 I 3.5851 6.7625 118.8238 63.3278 37.1131 176.1109 30 G 3.5574 6.8304 105.4796 44.8964 0.0000 173.7934 31 L 4.5277 8.0136 121.2158 54.2098 43.3629 175.4927 32 N 5.1896 8.8884 118.7413 51.3990 41.2457 174.3990 33 L 4.2216 8.3625 124.3569 54.6870 42.1604 176.2790 34 E 4.1562 9.0322 126.8490 58.8839 30.1195 176.6964 35 G 4.0998 7.5319 104.6684 45.2354 0.0000 171.7799 36 R 4.8454 8.1612 118.3409 54.9846 33.1975 173.6353 37 A 4.5979 8.9326 124.9768 51.2432 23.2628 174.6130 38 N 4.9841 8.7038 117.1960 52.2996 40.3350 175.0290 39 V 4.4842 9.2185 123.8012 61.1819 33.8038 175.3323 40 E 4.7139 8.9080 123.8168 55.2257 30.9346 176.2789 41 G 3.9132 7.9396 109.7916 45.6601 0.0000 174.6358 42 E 3.9511 8.8689 120.9044 58.3544 29.5693 179.3254 43 W 4.3079 8.4035 117.8199 59.6977 27.9743 177.7987 44 A 3.2076 6.0491 121.6459 54.4986 17.6415 179.9277 45 G 3.8867 7.3490 104.1939 47.3686 0.0000 176.1482 46 R 4.0455 7.5521 119.1322 58.7361 30.0846 179.0813 47 V 3.7866 7.5158 117.4187 66.3093 31.8897 177.8868 48 T 4.1264 7.7141 107.7049 62.6590 68.8599 175.6711 49 G 3.9603 7.9917 108.9163 45.5391 0.0000 174.2326 50 L 4.1561 7.8991 119.6620 55.1574 44.0176 179.6833 51 G 3.6171 8.7760 109.0295 45.9989 0.0000 175.1471 52 S 4.3103 9.0775 122.0671 57.3178 61.8488 171.5289 53 Q 4.9716 8.0759 123.7755 54.3183 32.3041 174.4504 54 C 4.7617 9.4082 120.5016 58.0260 34.7741 172.8416 55 V 4.6602 8.5579 125.7752 60.9704 35.0781 173.4243 56 E 4.9197 9.0494 127.6949 54.6841 31.6264 174.6196 57 I 5.0502 9.0818 126.9036 59.7317 41.2404 174.5520 58 A 5.3140 8.9819 126.0116 49.3941 23.3142 175.1961 *61 V 4.1705 8.1823 115.4211 61.7907 32.5720 175.3913 62 T 4.4537 8.4041 112.1983 60.4934 69.7577 173.9389 63 P 4.2157 0.0000 0.0000 65.8297 31.3734 177.6557 64 D 4.3142 8.0308 115.2148 53.9515 39.4279 177.1633 65 G 3.8807 8.1645 108.3061 46.3695 0.0000 174.0180 66 H 4.7284 9.2031 117.1631 56.4725 29.7205 175.4549 67 S 4.9768 8.0530 114.7108 56.7304 66.9149 173.5563 68 R 4.9461 8.3895 119.6850 54.6331 34.8509 173.9658 69 I 4.7733 8.2365 121.8847 59.5361 40.0169 174.3618 70 E 4.5792 9.0109 129.1015 54.7524 31.3367 174.3804 71 L 5.1668 9.0268 127.4099 53.2103 44.2373 175.6964 72 S 5.1239 9.0296 119.2561 56.6072 67.1033 173.0650 73 R 4.9007 8.6847 123.3159 54.5587 32.9331 174.0256 74 F 4.4938 9.0300 125.5584 57.5359 39.3289 175.2242 75 L 4.5931 9.2390 124.6829 56.6884 42.7855 177.3302 76 T 4.8783 7.6047 107.7499 59.3822 72.1701 171.6895 77 P 4.9249 0.0000 0.0000 61.4631 32.7180 173.9405 78 P 4.5026 0.0000 0.0000 62.3098 32.0058 176.2412 79 T 3.9265 8.0705 109.3654 61.7536 69.2756 174.2576 80 I 4.5043 7.9419 112.9418 60.2201 38.9321 174.3211 81 A 4.6112 7.5371 122.0193 51.5910 21.9728 175.4878 82 D 4.5862 8.3664 118.7149 53.5966 44.0928 174.5207 83 H 5.0159 8.4727 120.9081 55.2760 29.2883 175.5921 84 R 3.9380 8.5685 122.2463 59.5225 29.8585 177.8024 85 T 4.5421 7.5481 106.0287 60.8519 69.3574 174.4196 86 A 4.1542 7.6229 124.4772 52.3594 18.9786 176.7947 87 P 4.5088 0.0000 0.0000 62.3338 32.2166 176.8968 88 V 3.7449 8.4703 119.5427 65.9939 31.9343 176.8604 89 N 4.7071 7.8775 117.6341 51.1547 35.9199 173.7152 90 A 4.7465 7.2671 123.1827 50.7473 23.0116 176.1405 91 L 4.0687 8.2474 120.5393 55.3937 42.4554 175.8932 92 G 3.5627 8.8136 107.1463 43.8511 0.0000 172.7038 93 Y 4.0491 8.2599 116.0427 58.7939 38.0155 175.3221 94 L 4.5231 8.2825 124.7534 55.2468 44.0313 175.9737 95 R 4.5862 7.3099 111.7783 55.4486 31.9718 174.9050 96 V 4.1463 7.6268 112.6979 60.1489 35.0869 174.3970 *98 F 4.8597 8.4159 118.4362 58.7037 40.6686 174.1893 99 T 5.0201 8.6938 119.0146 62.3145 69.6569 174.3865 100 V 4.4993 9.1426 119.2718 59.3375 35.4698 176.8593 101 E 3.8306 8.9986 122.3172 58.8538 29.6002 176.5286 102 D 4.9086 7.7060 119.7530 52.0701 42.8061 174.6435 103 I 3.8924 8.9399 128.5977 64.0636 38.6224 177.1177 104 D 4.4968 8.2643 120.0228 57.4845 40.9765 178.8800 105 E 4.0765 9.6349 118.0242 56.8373 29.2407 178.4373 *107 V 4.0134 7.9263 118.5704 62.5318 33.4908 177.2255 108 S 4.0719 8.5501 114.1146 61.4181 62.0401 176.0020 109 R 3.7885 8.3562 121.5176 59.5399 29.8816 178.3922 110 L 4.1032 7.9018 118.3807 58.1405 41.7441 179.5746 111 T 4.7184 8.0951 110.9516 64.1255 68.4458 176.5306 112 K 3.9927 7.8054 121.9328 59.0891 32.1570 177.3873 113 H 4.8935 7.4752 114.6502 55.5490 28.9185 175.9624 114 G 3.9580 8.0665 108.8378 44.8225 0.0000 174.1816 115 A 4.5814 8.1660 122.1156 51.3743 20.3978 176.4246 116 E 4.9111 8.8784 117.2237 54.0348 32.7138 175.0311 117 L 4.2983 8.6379 126.4400 55.3721 42.2094 176.7481 118 V 3.8745 9.2312 127.8990 64.2689 32.1199 176.2514 119 G 4.2234 8.0974 106.8083 45.4526 0.0000 174.3446 120 E 4.7671 8.7534 122.7572 53.8049 32.9355 174.5611 121 V 4.0518 8.3492 121.5005 62.6824 31.8343 175.2113 122 V 4.4146 8.9364 129.1434 61.3161 34.0810 174.0477 123 Q 4.9004 8.5890 127.3612 54.8612 30.7158 174.2562 124 Y 4.4088 9.4275 129.3246 55.6240 39.3337 175.7652 125 E 3.4410 8.5146 130.0207 58.0418 28.4528 175.5662 126 N 5.0470 8.8493 123.2060 53.9095 39.3592 174.5889 127 S 4.5734 8.1715 115.2454 59.2064 65.9188 173.3070 128 Y 5.5998 7.9293 115.4638 56.3105 42.9541 174.5285 129 R 5.3157 8.8576 119.1462 54.7259 34.5194 174.5738 130 L 5.2255 9.5253 123.0122 55.4111 44.6415 173.5884 131 C 4.9661 8.9557 113.5476 57.9127 33.7345 171.9406 132 Y 5.4934 8.6000 116.0722 56.4546 40.6654 175.1782 133 I 5.0913 8.9160 123.3609 59.6723 41.9599 174.7869 134 R 4.5794 9.2030 125.9163 54.5729 30.9910 175.2161 135 G 3.4545 8.8395 121.5558 44.0498 0.0000 173.8163 136 V 3.4173 5.7067 122.9710 63.3002 31.2440 176.3208 137 E 3.7470 9.5859 122.8479 57.2764 26.9535 175.6765 138 G 3.8502 8.1023 104.4340 45.6154 0.0000 174.7933 139 I 3.9167 7.4651 122.0075 61.1579 38.1050 175.1824 140 L 4.5786 8.5389 129.7038 55.1622 42.5613 175.9546 141 I 4.8635 9.0228 126.6158 59.4883 41.5623 174.4652 142 G 4.5296 8.8763 112.0159 44.5291 0.0000 172.7468 143 L 5.4387 9.0532 121.8962 52.8486 45.9055 175.5224 144 A 5.2884 9.1704 123.0894 50.5083 23.3020 174.5229 145 E 5.1544 9.2199 120.3680 53.1417 32.9252 174.5708 146 E 4.4512 9.0855 127.9087 56.0238 30.6982 175.2909 147 L 4.5686 8.5624 126.5333 54.0489 43.8871 176.9765 148 G 3.9933 8.7164 110.7800 45.8568 0.0000 173.1280 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 0 A 8.26 4.12 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 *2 A 8.50 4.44 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 3 K 7.35 4.56 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 4 N 7.78 4.37 0.00 2.61 2.66 0.00 0.00 6.94 6.68 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 5 K 8.32 4.39 0.00 1.70 1.61 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 6 L 8.33 4.44 0.00 1.62 1.58 0.93 1.01 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 7 L 8.60 4.31 0.00 1.68 1.71 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.53 4.30 0.00 1.89 1.18 0.00 3.23 0.00 0.00 3.15 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 *10 D 9.47 4.61 0.00 2.67 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 11 N 7.25 4.68 0.00 2.74 2.71 0.00 0.00 5.81 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 12 V 7.97 4.52 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 0.71 0.00 0.00 0.71 0.00 0.00 13 S 8.48 5.24 0.00 3.87 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 14 I 8.70 4.57 1.87 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 1.07 0.66 0.95 0.00 0.00 15 V 8.47 4.52 2.15 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 1.02 0.00 0.00 1.11 0.00 0.00 16 V 8.95 4.54 2.24 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 0.78 0.00 0.00 1.03 0.00 0.00 17 E 9.82 4.00 0.00 1.93 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 2.32 2.25 0.00 18 S 8.47 4.61 0.00 3.88 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 19 L 8.47 3.98 0.00 1.80 1.65 0.92 1.38 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 20 D 8.15 4.40 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 21 N 8.35 4.39 0.00 2.75 2.86 0.00 0.00 6.98 6.64 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 22 A 8.15 4.15 1.54 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 23 I 8.22 3.77 2.06 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 1.45 1.12 0.97 0.00 0.00 24 S 8.13 4.25 0.00 3.92 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 25 F 8.35 4.04 0.00 3.03 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 26 F 8.35 3.77 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 27 E 8.16 4.59 0.00 2.19 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 2.32 2.38 0.00 28 E 7.63 3.91 0.00 1.85 1.85 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 2.43 2.41 0.00 29 I 6.76 3.59 1.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.19 0.04 0.00 0.00 30 G 6.83 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 31 L 8.01 4.53 0.00 1.80 1.64 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.89 5.19 0.00 2.52 2.69 0.00 0.00 6.88 7.88 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 33 L 8.36 4.22 0.00 1.64 1.58 0.96 0.95 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 34 E 9.03 4.16 0.00 1.99 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 2.29 0.00 35 G 7.53 4.10 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 0.00 36 R 8.16 4.85 0.00 1.73 1.76 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 37 A 8.93 4.60 1.21 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 0.00 0.00 38 N 8.70 4.98 0.00 2.61 2.74 0.00 0.00 6.66 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 39 V 9.22 4.48 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 0.78 0.00 0.00 1.00 0.00 0.00 40 E 8.91 4.71 0.00 2.03 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 2.16 2.27 0.00 41 G 7.94 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 42 E 8.87 3.95 0.00 2.26 2.24 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 2.40 2.51 0.00 43 W 8.40 4.31 0.00 3.65 3.39 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 44 A 6.05 3.21 0.33 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 45 G 7.35 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 0.00 0.00 0.00 46 R 7.55 4.05 0.00 2.06 2.05 0.00 3.21 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 1.69 1.89 0.00 47 V 7.52 3.79 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 0.95 0.00 0.00 1.18 0.00 0.00 48 T 7.71 4.13 4.30 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 1.27 0.00 0.00 49 G 7.99 3.96 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 0.00 0.00 0.00 50 L 7.90 4.16 0.00 1.89 1.74 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.78 3.62 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 0.00 0.00 0.00 52 S 9.08 4.31 0.00 3.84 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 53 Q 8.08 4.97 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 54 C 9.41 4.76 0.00 2.89 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 55 V 8.56 4.66 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 0.40 0.00 0.00 0.12 0.00 0.00 56 E 9.05 4.92 0.00 1.99 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 2.19 2.35 0.00 57 I 9.08 5.05 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.89 0.00 0.00 58 A 8.98 5.31 1.19 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 0.00 0.00 *61 V 8.18 4.17 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 0.87 0.00 0.00 0.99 0.00 0.00 62 T 8.40 4.45 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 1.36 0.00 0.00 63 P 0.00 4.22 0.00 2.05 2.15 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 64 D 8.03 4.31 0.00 2.69 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 65 G 8.16 3.88 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 0.00 66 H 9.20 4.73 0.00 3.23 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.05 4.98 0.00 3.82 3.74 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 68 R 8.39 4.95 0.00 1.91 1.72 0.00 3.06 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 69 I 8.24 4.77 1.56 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 1.09 0.57 0.40 0.00 0.00 70 E 9.01 4.58 0.00 1.98 1.75 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 2.18 2.24 0.00 71 L 9.03 5.17 0.00 1.55 1.55 1.02 0.57 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 72 S 9.03 5.12 0.00 3.61 3.40 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 73 R 8.68 4.90 0.00 1.81 1.68 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 74 F 9.03 4.49 0.00 2.97 3.11 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 75 L 9.24 4.59 0.00 1.63 1.72 0.96 0.81 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 76 T 7.60 4.88 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 77 P 0.00 4.92 0.00 2.03 2.07 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 78 P 0.00 4.50 0.00 2.17 2.09 0.00 3.73 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 1.94 1.93 0.00 79 T 8.07 3.93 4.17 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 1.17 0.00 0.00 80 I 7.94 4.50 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.86 0.00 0.00 81 A 7.54 4.61 1.21 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 0.00 0.00 82 D 8.37 4.59 0.00 2.56 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 83 H 8.47 5.02 0.00 3.32 3.43 0.00 5.52 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 84 R 8.57 3.94 0.00 1.88 2.16 0.00 3.10 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 85 T 7.55 4.54 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 86 A 7.62 4.15 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 87 P 0.00 4.51 0.00 2.39 2.09 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 88 V 8.47 3.74 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 1.01 0.00 0.00 1.10 0.00 0.00 89 N 7.88 4.71 0.00 2.88 2.86 0.00 0.00 5.70 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 90 A 7.27 4.75 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 91 L 8.25 4.07 0.00 1.62 1.56 0.90 0.94 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 92 G 8.81 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 93 Y 8.26 4.05 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 94 L 8.28 4.52 0.00 1.56 1.63 1.00 0.96 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 95 R 7.31 4.59 0.00 1.71 1.58 0.00 2.92 0.00 0.00 2.78 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.50 0.00 96 V 7.63 4.15 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 0.67 0.00 0.00 0.70 0.00 0.00 *98 F 8.42 4.86 0.00 3.05 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 99 T 8.69 5.02 4.34 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 1.35 0.00 0.00 100 V 9.14 4.50 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 0.89 0.00 0.00 1.03 0.00 0.00 101 E 9.00 3.83 0.00 1.94 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 2.30 2.31 0.00 102 D 7.71 4.91 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.94 3.89 1.93 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 1.35 0.98 1.00 0.00 0.00 104 D 8.26 4.50 0.00 2.76 2.71 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 0.00 105 E 9.63 4.08 0.00 2.07 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 2.39 0.00 *107 V 7.93 4.01 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 0.94 0.00 0.00 1.05 0.00 0.00 108 S 8.55 4.07 0.00 3.94 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 0.00 109 R 8.36 3.79 0.00 2.10 1.89 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 110 L 7.90 4.10 0.00 1.79 1.85 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.10 4.72 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 1.34 0.00 0.00 112 K 7.81 3.99 0.00 1.89 1.70 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.49 7.81 113 H 7.48 4.89 0.00 3.31 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.07 3.96 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 0.00 0.00 0.00 115 A 8.17 4.58 1.36 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 0.00 116 E 8.88 4.91 0.00 2.01 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 0.00 2.16 2.23 0.00 117 L 8.64 4.30 0.00 1.70 1.65 1.02 1.04 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 0.00 118 V 9.23 3.87 2.30 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 0.87 0.00 0.00 1.02 0.00 0.00 119 G 8.10 4.22 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 0.00 120 E 8.75 4.77 0.00 1.82 1.85 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 2.20 2.26 0.00 121 V 8.35 4.05 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 0.78 0.00 0.00 0.96 0.00 0.00 122 V 8.94 4.41 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 0.91 0.00 0.00 0.96 0.00 0.00 123 Q 8.59 4.90 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 124 Y 9.43 4.41 0.00 3.15 3.04 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 0.00 125 E 8.51 3.44 0.00 1.87 1.13 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 0.00 1.81 1.47 0.00 126 N 8.85 5.05 0.00 2.63 2.74 0.00 0.00 6.57 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 0.00 127 S 8.17 4.57 0.00 3.55 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 0.00 128 Y 7.93 5.60 0.00 3.02 2.82 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 0.00 129 R 8.86 5.32 0.00 1.75 1.83 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 130 L 9.53 5.23 0.00 1.83 1.72 0.82 0.83 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 0.00 131 C 8.96 4.97 0.00 3.06 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 0.00 132 Y 8.60 5.49 0.00 2.83 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 0.00 133 I 8.92 5.09 1.99 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 1.34 1.19 1.05 0.00 0.00 134 R 9.20 4.58 0.00 1.68 1.83 0.00 3.26 0.00 0.00 3.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 135 G 8.84 3.45 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 0.00 136 V 5.71 3.42 1.64 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 0.58 0.00 0.00 0.85 0.00 0.00 137 E 9.59 3.75 0.00 2.05 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 2.19 2.23 0.00 138 G 8.10 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 0.00 139 I 7.47 3.92 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 1.02 0.00 0.00 140 L 8.54 4.58 0.00 1.60 1.67 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 141 I 9.02 4.86 2.06 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 1.30 0.00 0.00 142 G 8.88 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.05 5.44 0.00 1.66 1.60 0.99 0.70 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 0.00 144 A 9.17 5.29 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.22 5.15 0.00 2.07 1.84 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 2.25 2.24 0.00 146 E 9.09 4.45 0.00 2.09 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 2.15 2.00 0.00 147 L 8.56 4.57 0.00 1.66 1.54 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.72 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 * Residues marked with a * may have inaccurate shift predictions.