NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.0926 8.3444 121.7046 55.8034 29.9409 174.1375 3 N 3.9799 7.9080 120.8664 52.4171 40.2603 174.0396 4 A 4.0120 8.7959 124.1920 54.5297 19.2354 178.9639 5 D 4.3434 7.8386 116.9361 56.6870 40.9133 178.3702 6 D 4.3333 7.8726 120.0618 57.2538 40.8455 178.6980 7 F 4.1289 7.9917 118.0695 60.4551 39.0461 177.6030 8 I 3.7584 7.8731 112.8494 63.8473 37.1912 178.0863 9 K 3.8483 7.8604 120.8852 59.1177 31.9924 178.7014 10 F 4.0689 8.1843 117.3384 60.2583 38.9602 176.5352 11 L 4.2358 8.0247 117.5719 54.0127 42.3311 175.9327 12 E 3.8331 7.7962 117.3817 57.2942 27.1492 174.6361 13 L 4.7408 8.1856 117.8957 54.7331 43.2461 177.6718 14 E 4.8145 9.2520 121.3677 54.6986 33.9819 174.5022 15 Q 5.1146 8.5152 119.4800 53.8645 28.6661 176.1960 16 H 4.6929 8.2595 120.1030 54.3982 30.0536 176.1569 17 V 3.5365 8.1089 117.8369 63.2113 31.9457 177.0572 18 E 4.2804 7.7072 117.8238 56.1370 29.4383 176.2850 19 G 4.4046 7.0007 106.4916 47.5764 0.0000 174.6788 20 G 3.6361 9.1022 105.9955 45.1083 0.0000 173.0510 21 F 4.6012 8.3520 118.1640 55.7996 39.9535 174.6520 22 Y 6.0335 9.3477 126.3126 55.7890 40.6958 174.0641 23 R 5.1130 8.1013 128.9622 56.4816 32.4141 173.6184 24 S 4.5845 8.3405 121.4870 58.3557 63.0072 173.3455 25 S 4.3660 8.8983 124.2113 60.8165 63.1910 173.8048 26 Y 4.9763 7.9090 117.2007 55.9699 42.6204 173.4841 27 R 4.4665 8.1611 118.4733 54.1615 34.5720 175.0615 28 S 3.5204 7.4123 115.7760 58.0981 62.9077 173.7867 29 E 4.4569 8.4938 123.1160 56.2910 29.9438 175.8349 30 T 4.6161 7.7652 116.0851 61.5948 71.2749 172.9764 31 A 4.8907 8.2536 125.6708 50.4865 20.6341 175.6280 32 F 4.6914 7.9976 123.7466 58.1986 40.2726 175.3588 33 D 4.9423 7.6157 117.6398 51.6896 44.1746 175.8409 34 P 4.6883 0.0000 0.0000 63.1260 30.7440 177.1663 35 S 4.5771 8.9040 113.1610 59.4057 64.8951 174.3932 36 R 4.6990 7.5896 119.6226 53.3083 32.6547 175.5751 37 Q 4.5485 8.2903 119.7151 55.5572 29.4847 177.0475 38 L 4.1801 8.0824 121.0835 57.7778 42.6262 176.4009 39 W 5.3311 7.5886 113.6941 56.8347 30.6600 173.3159 40 S 5.0686 9.0836 114.3016 57.3918 66.0186 173.5156 41 S 5.3454 9.8230 115.7640 57.1165 65.7561 172.9366 42 I 5.1958 8.3165 120.2536 59.3572 41.4687 172.8516 43 Y 5.1372 8.5718 118.1789 56.5533 41.3476 174.9493 44 F 5.2825 9.4163 125.5040 56.4536 42.6740 173.0887 45 L 5.2755 8.3050 127.9249 53.1859 45.3136 174.5689 46 L 5.0440 9.0023 126.4424 53.2681 45.1002 175.1304 47 R 4.7377 8.2749 125.6354 55.4062 32.7840 176.7281 48 T 3.6316 8.2147 118.8399 66.3751 68.1018 175.1185 49 G 4.0537 7.9385 108.5888 45.7368 0.0000 172.7548 50 E 4.8857 8.4727 118.5885 54.4679 32.8858 175.6011 51 V 4.6186 7.9219 113.1284 60.2935 37.0020 174.0085 52 S 4.9352 8.7381 117.7132 57.3189 62.3911 172.8750 53 H 4.4999 8.6260 124.2663 55.9871 29.3444 175.4189 54 F 4.4429 8.5127 120.0467 58.6694 39.8775 174.2670 55 H 5.2328 8.4754 117.0519 54.4549 32.7881 172.0416 56 R 5.3292 9.2058 118.2188 53.5796 32.1169 174.0255 57 L 5.8479 8.8402 123.9303 52.9253 45.3728 176.2840 58 T 4.1593 8.7769 112.0995 62.1488 67.9208 173.2121 59 A 4.9519 7.8226 120.2430 50.5718 23.0030 175.4121 60 D 4.4409 8.6448 119.0067 54.6062 42.2793 175.6910 61 E 5.0305 8.3627 124.9678 54.1449 33.6700 173.7374 *63 W 5.1529 8.3441 116.9460 57.0854 31.1089 174.1398 64 Y 5.0650 9.0383 121.8630 55.7976 40.3801 174.9858 65 F 4.3091 9.6522 128.2545 59.1439 39.5889 174.1099 66 H 4.9126 7.3339 121.5962 57.0046 31.3743 173.4251 67 A 4.0709 6.7646 117.0390 52.4676 22.4047 176.2090 68 G 3.0745 8.7031 105.9382 45.2597 0.0000 173.3050 69 Q 4.2484 7.9731 121.9246 56.3496 29.7248 177.9367 70 S 4.7402 8.5336 118.3396 58.0620 64.6455 173.1227 71 L 5.0986 8.9059 121.0308 53.4378 45.4990 175.7063 72 T 4.7246 9.1990 118.5440 61.9893 71.0007 173.6254 73 I 4.2182 8.0827 129.0995 60.4136 38.4855 175.8316 74 Y 4.5992 8.3493 124.6547 56.7337 40.8926 174.6669 *76 I 4.1982 8.0061 119.6872 61.1110 38.5365 176.6018 77 S 4.5567 8.9169 122.6251 56.9876 63.6805 173.6187 78 P 4.2827 0.0000 0.0000 65.6910 31.0941 177.0027 79 E 4.2679 8.1901 116.4773 56.3636 29.3152 177.2292 80 G 4.0413 8.4142 107.9167 45.1281 0.0000 173.4878 81 E 4.0597 8.3317 122.3651 55.3938 30.1090 174.9549 82 L 4.5459 8.3598 128.5653 53.7055 43.0183 175.1731 83 T 4.6921 8.1246 115.2083 60.1736 71.8263 172.1234 84 T 4.7261 7.7308 109.6962 60.7354 71.7305 172.3937 85 A 4.3768 8.2999 122.6195 50.2891 23.2838 174.8743 86 Q 4.7190 8.0746 117.0692 53.8779 32.2197 174.4181 87 L 4.6993 8.6504 126.9104 53.9020 44.0509 175.0243 88 G 2.9547 8.1820 117.0346 46.0168 0.0000 172.8690 89 L 4.5116 7.9735 121.7056 54.3782 42.1830 177.0301 90 D 4.5661 7.6163 121.2018 52.2866 39.4830 176.2466 91 L 4.4014 8.3058 122.3756 56.5149 42.3660 178.6848 92 A 3.9735 7.5025 120.8277 55.1688 18.3568 177.8172 93 A 4.3028 8.1126 117.8531 51.1953 19.5435 178.2422 94 G 3.7247 8.4104 106.4932 47.5558 0.0000 174.1473 95 E 3.9471 7.4621 118.8699 57.3162 30.0979 176.0747 96 R 4.6482 8.1556 122.0203 54.2017 33.9488 173.8269 97 P 4.2729 0.0000 0.0000 64.1334 32.7133 175.9183 98 Q 5.0934 7.9256 116.9491 54.1711 32.4059 174.6935 99 F 4.6776 8.5764 123.1608 57.0154 42.9571 172.8547 100 L 4.4515 7.2810 128.0620 53.3673 43.4756 175.9273 101 V 3.9903 8.0157 126.7694 58.6714 32.4057 173.1939 102 P 4.7185 0.0000 0.0000 62.7550 32.3677 175.7301 103 K 4.2027 9.4521 122.4754 57.3363 32.2546 175.4942 104 G 3.5946 7.9389 116.8429 45.7941 0.0000 173.7637 105 C 4.5740 7.7615 115.6571 57.9057 31.8371 173.2556 106 I 4.9888 8.2585 120.6208 59.4373 37.2725 174.7534 107 F 5.9846 8.7420 122.2655 54.6450 40.8887 175.5429 108 G 4.4227 8.0775 109.2430 46.7771 0.0000 171.5211 109 S 5.2315 8.2496 110.3970 56.9936 65.8107 175.2572 110 A 4.4164 8.6174 130.9252 52.1384 26.3000 179.8019 *112 N 4.5549 9.0975 115.9912 55.3106 40.5627 172.7038 113 Q 4.5409 7.8188 117.1396 53.8525 32.6772 173.2447 114 D 4.6524 8.4476 119.8726 53.7150 43.3116 173.9642 115 G 4.4246 6.4623 115.1752 44.6083 0.0000 175.1566 116 F 5.3933 8.0389 119.3698 55.6109 41.1453 171.8958 117 S 4.7716 9.2197 116.1512 56.7976 67.0425 172.5769 118 L 5.0239 8.0550 126.3283 53.2774 44.3485 175.2921 119 V 4.8173 8.9677 124.6847 61.2999 35.9169 173.7536 120 G 4.4761 8.9660 110.8942 44.7950 0.0000 172.1490 121 C 4.9478 7.9828 117.7966 57.7202 33.1523 172.8434 *123 V 4.3778 8.0681 110.9928 61.9805 32.3236 176.2945 124 S 4.1830 8.9916 121.3487 61.2008 62.8000 172.4236 125 P 4.3185 0.0000 0.0000 62.8405 30.5239 175.4364 126 G 3.8207 8.2841 109.6110 44.2565 0.0000 172.5013 127 F 4.4710 8.8695 128.6541 58.5610 40.2650 174.5363 128 T 4.1037 6.8385 115.5971 60.0957 71.4847 174.6613 129 F 3.9904 8.6019 120.7455 59.1716 38.7008 175.4960 130 D 4.7754 7.6719 119.5337 55.0895 41.1705 176.3488 131 D 5.1047 8.4921 120.2485 53.7525 42.7936 175.0726 132 F 5.0084 8.4328 120.5579 56.8001 42.1709 173.4148 133 E 4.3732 9.1387 127.1253 54.4253 31.3376 174.9713 134 L 4.7227 8.0364 126.4378 53.1963 44.2693 175.2628 135 F 5.0467 8.4082 121.7772 55.6504 42.5557 174.9655 136 S 4.5662 8.6611 115.4087 57.4074 63.3991 174.7962 137 Q 4.0676 8.8303 126.7284 59.5250 28.9405 178.5981 138 E 4.1089 8.1891 118.7713 59.4491 29.8187 179.0588 139 A 4.1059 8.0610 120.0875 54.6171 18.2510 178.4271 140 L 4.3539 7.5852 115.2212 55.1299 41.9646 177.1747 141 L 4.5917 7.6263 117.9709 54.7987 43.5851 177.0576 142 A 4.1885 7.3963 119.2605 53.0407 18.0155 177.6368 *144 Y 5.0066 7.4664 113.8586 58.9192 38.9217 175.1566 145 P 4.4491 0.0000 0.0000 64.7712 32.2624 178.6413 146 Q 4.1152 8.1078 116.6053 58.7910 29.0564 176.4496 147 H 4.7511 7.7488 114.7512 55.3061 30.0197 177.1908 148 K 3.8176 8.2871 123.4006 59.9456 31.7287 177.4428 149 A 4.0125 8.0085 120.3734 55.1963 18.2218 179.7339 150 V 3.5965 7.7438 115.5274 64.2967 31.6766 178.1918 151 V 4.1506 7.9352 119.5054 65.9160 31.1777 177.8757 152 Q 4.1033 8.0369 117.3829 58.0330 28.7085 177.6909 153 K 4.2872 7.5597 117.7710 57.6013 33.2895 177.0641 154 L 4.6196 7.2049 120.3882 53.9815 42.6402 175.8949 155 S 4.6833 7.5969 112.2986 57.9868 66.7575 174.2971 156 R 4.6569 8.1413 120.1194 53.7317 33.2113 175.3958 157 P 4.5559 0.0000 0.0000 63.1756 32.5662 175.9212 158 E 4.0799 8.9482 118.5011 57.3125 30.5445 175.1229 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 Q 8.34 4.09 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.06 0.00 3 N 7.91 3.98 0.00 2.73 2.79 0.00 0.00 7.14 7.13 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 4 A 8.80 4.01 1.17 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 0.00 0.00 5 D 7.84 4.34 0.00 2.62 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 6 D 7.87 4.33 0.00 2.54 2.59 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 7 F 7.99 4.13 0.00 3.20 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 8 I 7.87 3.76 1.91 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 1.32 1.08 0.64 0.00 0.00 9 K 7.86 3.85 0.00 1.77 1.68 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 1.29 7.81 10 F 8.18 4.07 0.00 3.19 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 11 L 8.02 4.24 0.00 1.76 1.43 0.66 0.30 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 12 E 7.80 3.83 0.00 2.11 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 2.21 2.32 0.00 13 L 8.19 4.74 0.00 1.71 2.01 1.03 0.83 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 14 E 9.25 4.81 0.00 1.70 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 2.18 2.17 0.00 15 Q 8.52 5.11 0.00 1.68 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.56 0.00 16 H 8.26 4.69 0.00 3.09 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.11 3.54 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 0.88 0.00 0.00 0.95 0.00 0.00 18 E 7.71 4.28 0.00 2.39 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 19 G 7.00 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 20 G 9.10 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 21 F 8.35 4.60 0.00 2.90 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 22 Y 9.35 6.03 0.00 3.22 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 23 R 8.10 5.11 0.00 2.02 2.04 0.00 3.16 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 0.00 24 S 8.34 4.58 0.00 3.92 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 25 S 8.90 4.37 0.00 4.00 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 26 Y 7.91 4.98 0.00 3.24 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 27 R 8.16 4.47 0.00 1.46 1.52 0.00 3.22 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 S 7.41 3.52 0.00 2.72 3.33 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 29 E 8.49 4.46 0.00 1.95 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 2.19 2.26 0.00 30 T 7.77 4.62 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 1.26 0.00 0.00 31 A 8.25 4.89 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 F 8.00 4.69 0.00 3.05 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 33 D 7.62 4.94 0.00 2.67 2.40 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 34 P 0.00 4.69 0.00 2.02 2.06 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 35 S 8.90 4.58 0.00 3.91 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 36 R 7.59 4.70 0.00 2.11 1.93 0.00 3.23 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 37 Q 8.29 4.55 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 38 L 8.08 4.18 0.00 1.80 1.67 1.02 1.41 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 39 W 7.59 5.33 0.00 3.37 3.06 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 40 S 9.08 5.07 0.00 3.93 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 41 S 9.82 5.35 0.00 4.03 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 42 I 8.32 5.20 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 1.00 0.00 0.00 43 Y 8.57 5.14 0.00 3.16 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 44 F 9.42 5.28 0.00 2.97 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 45 L 8.31 5.28 0.00 1.70 1.41 0.79 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.00 5.04 0.00 1.87 1.56 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.27 4.74 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 48 T 8.21 3.63 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 1.34 0.00 0.00 49 G 7.94 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 0.00 0.00 0.00 50 E 8.47 4.89 0.00 2.24 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 0.00 2.36 2.66 0.00 51 V 7.92 4.62 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 0.94 0.00 0.00 0.97 0.00 0.00 52 S 8.74 4.94 0.00 4.15 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 53 H 8.63 4.50 0.00 3.16 3.34 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.51 4.44 0.00 3.06 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 55 H 8.48 5.23 0.00 2.68 3.17 0.00 5.40 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.21 5.33 0.00 2.13 2.05 0.00 3.44 0.00 0.00 3.40 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 57 L 8.84 5.85 0.00 1.96 1.86 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.78 4.16 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 1.36 0.00 0.00 59 A 7.82 4.95 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 60 D 8.64 4.44 0.00 2.64 2.56 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 61 E 8.36 5.03 0.00 2.14 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 2.40 2.28 0.00 *63 W 8.34 5.15 0.00 3.45 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 64 Y 9.04 5.06 0.00 2.69 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 65 F 9.65 4.31 0.00 3.11 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 66 H 7.33 4.91 0.00 3.01 3.18 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 6.76 4.07 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 68 G 8.70 3.07 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 69 Q 7.97 4.25 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 70 S 8.53 4.74 0.00 3.87 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 71 L 8.91 5.10 0.00 1.67 1.72 1.33 1.12 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 72 T 9.20 4.72 4.16 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 0.54 0.00 0.00 73 I 8.08 4.22 1.30 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.54 0.60 0.00 0.00 74 Y 8.35 4.60 0.00 2.94 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 *76 I 8.01 4.20 1.19 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 -0.35 0.00 0.00 77 S 8.92 4.56 0.00 4.07 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 78 P 0.00 4.28 0.00 2.23 2.27 0.00 3.76 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 2.00 2.01 0.00 79 E 8.19 4.27 0.00 1.98 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 0.00 2.31 2.38 0.00 80 G 8.41 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 81 E 8.33 4.06 0.00 2.00 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 2.27 2.23 0.00 82 L 8.36 4.55 0.00 1.16 1.39 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.12 4.69 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 1.17 0.00 0.00 84 T 7.73 4.73 3.70 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 0.96 0.00 0.00 85 A 8.30 4.38 -0.11 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 86 Q 8.07 4.72 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 87 L 8.65 4.70 0.00 1.60 1.60 1.10 1.28 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 88 G 8.18 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 0.00 0.00 0.00 89 L 7.97 4.51 0.00 1.44 1.58 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.62 4.57 0.00 2.57 2.59 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 91 L 8.31 4.40 0.00 1.64 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.50 3.97 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 93 A 8.11 4.30 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 94 G 8.41 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 95 E 7.46 3.95 0.00 2.15 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 2.17 2.15 0.00 96 R 8.16 4.65 0.00 1.78 1.69 0.00 3.12 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 97 P 0.00 4.27 0.00 2.19 2.20 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 98 Q 7.93 5.09 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.63 0.00 0.00 0.00 0.00 0.00 2.01 2.37 0.00 99 F 8.58 4.68 0.00 2.90 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 0.00 100 L 7.28 4.45 0.00 1.36 1.06 0.78 0.70 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 0.00 101 V 8.02 3.99 1.66 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 0.64 0.00 0.00 -0.60 0.00 0.00 102 P 0.00 4.72 0.00 2.06 2.11 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 103 K 9.45 4.20 0.00 1.74 2.01 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.43 7.81 104 G 7.94 3.59 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 0.00 0.00 0.00 105 C 7.76 4.57 0.00 3.23 3.10 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 0.00 106 I 8.26 4.99 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.41 0.00 0.00 107 F 8.74 5.98 0.00 3.28 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 0.00 108 G 8.08 4.42 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 0.00 109 S 8.25 5.23 0.00 4.01 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 0.00 110 A 8.62 4.42 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 *112 N 9.10 4.55 0.00 2.61 2.92 0.00 0.00 6.43 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 0.00 113 Q 7.82 4.54 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 114 D 8.45 4.65 0.00 2.71 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 0.00 115 G 6.46 4.42 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 0.00 116 F 8.04 5.39 0.00 3.02 3.06 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 0.00 117 S 9.22 4.77 0.00 3.81 3.80 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 0.00 118 L 8.05 5.02 0.00 1.11 1.14 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.97 4.82 2.40 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 0.85 0.00 0.00 1.16 0.00 0.00 120 G 8.97 4.48 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 0.00 121 C 7.98 4.95 0.00 2.60 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 *123 V 8.07 4.38 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 1.08 0.00 0.00 1.18 0.00 0.00 124 S 8.99 4.18 0.00 3.90 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 0.00 125 P 0.00 4.32 0.00 2.00 1.97 0.00 3.74 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 1.98 1.65 0.00 126 G 8.28 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 0.00 127 F 8.87 4.47 0.00 2.97 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 0.00 128 T 6.84 4.10 4.13 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 1.17 0.00 0.00 129 F 8.60 3.99 0.00 3.00 3.21 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 0.00 130 D 7.67 4.78 0.00 2.66 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 0.00 131 D 8.49 5.10 0.00 2.58 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 0.00 132 F 8.43 5.01 0.00 3.22 3.10 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 0.00 133 E 9.14 4.37 0.00 1.76 1.24 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 2.14 2.20 0.00 134 L 8.04 4.72 0.00 1.72 1.54 1.17 0.88 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 0.00 135 F 8.41 5.05 0.00 2.97 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 0.00 136 S 8.66 4.57 0.00 3.91 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 0.00 137 Q 8.83 4.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 138 E 8.19 4.11 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 139 A 8.06 4.11 1.40 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 0.00 140 L 7.59 4.35 0.00 1.86 1.72 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.63 4.59 0.00 1.76 1.67 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.40 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 Y 7.47 5.01 0.00 2.99 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 0.00 145 P 0.00 4.45 0.00 2.03 2.10 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.33 0.00 146 Q 8.11 4.12 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.09 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 147 H 7.75 4.75 0.00 3.31 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.29 3.82 0.00 2.02 1.85 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 149 A 8.01 4.01 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 0.00 150 V 7.74 3.60 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 0.96 0.00 0.00 0.84 0.00 0.00 151 V 7.94 4.15 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 1.19 0.00 0.00 1.06 0.00 0.00 152 Q 8.04 4.10 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 153 K 7.56 4.29 0.00 1.78 1.86 0.00 0.75 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.40 7.81 154 L 7.20 4.62 0.00 1.19 0.98 -0.47 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.60 4.68 0.00 4.00 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 0.00 156 R 8.14 4.66 0.00 1.77 1.82 0.00 3.30 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 157 P 0.00 4.56 0.00 2.19 2.26 0.00 3.93 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 158 E 8.95 4.08 0.00 2.08 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 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.