NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.7036 8.2827 118.1258 52.9451 39.9714 174.8891 -4 L 3.9594 8.4212 123.6228 56.9554 42.4704 177.6842 *-3 Y 3.9907 8.0443 117.4629 60.5299 38.2005 182.7067 *-2 F 4.2761 7.9989 117.3018 58.6072 38.5143 179.0048 -1 Q 4.6130 6.6868 119.5460 57.8929 29.3555 177.1333 0 G 3.6897 8.5294 113.2985 45.8648 0.0000 171.8748 *-3 L 3.7807 8.0843 118.9629 57.7299 42.8005 184.4068 *-2 H 4.3861 8.1189 115.2018 55.9072 27.9143 177.3048 -1 H 5.0030 6.7868 117.9460 57.1929 28.9555 175.2333 0 V 3.8497 8.2294 123.6985 62.9649 28.1084 173.2748 6 E 4.8032 8.8729 128.6565 54.4736 31.6355 174.8435 7 I 4.5927 8.3222 127.0275 59.4809 41.0409 174.2867 8 N 5.1964 8.8256 124.1186 52.9460 39.6051 174.9180 9 V 4.5095 9.1265 116.2503 59.6642 35.2792 176.5894 10 D 4.1502 9.4593 123.8823 57.1469 41.4278 177.0363 11 H 4.6981 7.8548 122.4855 53.0955 31.6578 172.7483 12 L 3.9012 8.7143 130.3959 58.3752 41.8583 178.4541 13 E 3.9501 8.0223 117.4741 59.6773 29.3163 179.2267 14 E 4.0365 8.3002 117.8514 59.5770 29.5944 179.4741 15 S 4.2593 8.2318 115.2320 61.7581 62.9354 176.8596 16 I 3.9146 8.4922 122.5118 63.9115 36.5667 178.4285 17 A 4.0551 7.8225 121.9503 54.9220 18.1352 179.5046 18 F 4.0672 7.9996 119.2403 61.3849 39.4896 177.6382 19 W 3.7963 8.2441 118.6354 59.5282 28.7896 178.2780 20 D 4.4866 8.3722 119.0841 57.0370 40.2710 178.7162 21 W 3.9333 7.6698 127.3270 60.2565 30.7845 177.8711 22 L 2.4400 7.3970 120.3469 57.7188 41.4365 179.0383 23 L 3.5949 7.5478 118.8493 56.9739 41.4160 179.9360 24 G 3.4354 7.4427 105.8928 47.9210 0.0000 175.8489 25 E 3.8705 7.7613 120.2192 57.8942 29.3642 178.3940 26 L 4.4483 7.2817 116.9850 54.0770 41.9877 177.1182 27 G 3.9408 7.8696 106.9622 45.6681 0.0000 173.4091 28 Y 4.7929 8.3231 117.1325 57.1775 39.0970 174.7172 29 E 5.0120 9.1319 119.3765 54.3867 33.1622 175.0725 30 D 4.4217 8.8891 120.7699 55.2009 41.1646 174.0132 31 Y 4.7947 9.2000 121.9472 58.1335 40.3284 174.9226 32 Q 4.5900 8.8767 114.5501 54.1463 33.3428 173.9824 33 S 5.3344 8.9011 119.2822 56.7214 65.6779 173.4744 34 W 5.2423 8.7392 120.3900 55.1427 31.0248 175.4827 35 S 4.1464 9.1290 111.8016 61.0346 62.6886 175.0528 36 R 4.3159 7.2007 117.4073 54.8188 30.7355 175.0620 37 G 2.9626 5.6680 103.8440 46.3961 0.0000 172.1821 38 K 5.0507 7.7894 118.7834 55.3512 36.0391 174.9250 39 S 5.5787 9.4763 121.4429 56.9239 66.5695 172.4266 40 Y 5.5661 9.5737 118.6692 56.3387 42.0640 174.2900 41 K 4.8249 9.8514 123.7383 55.0922 35.9335 174.6632 42 H 4.2658 8.5176 125.5744 54.6825 33.1217 173.1148 43 G 3.5131 8.3990 115.7961 47.2528 0.0000 173.8066 44 K 4.3135 8.6237 123.2342 55.8083 32.2958 175.3888 45 T 5.3539 7.6991 116.0555 62.0837 71.9759 172.6991 46 Y 5.3023 8.7777 122.3320 56.2894 41.2441 174.9196 47 L 4.8867 9.0571 121.4426 53.0184 44.9463 175.6285 48 V 4.8951 8.1213 123.3363 61.0141 34.6121 173.8349 49 F 5.2448 9.6638 126.6528 55.6732 41.8173 174.5236 50 V 4.8335 8.8337 123.4847 60.6350 35.0381 174.3164 51 Q 4.4527 8.9451 128.9620 56.2334 29.3715 176.0133 52 T 4.1295 9.0153 124.6720 63.5091 69.1409 174.5663 53 E 4.2164 9.0377 125.4429 56.3372 30.5775 177.1835 54 D 4.5855 9.0309 122.7009 57.9513 40.9111 179.3948 55 R 3.9467 7.9431 112.3891 57.8167 29.1777 176.6859 56 F 4.9879 8.2478 116.4935 57.3853 40.3020 176.6306 57 Q 4.2064 8.2997 120.2720 57.7457 28.7822 176.3291 58 T 4.7040 7.1997 115.0533 60.6743 71.4389 172.2084 59 P 4.5536 0.0000 0.0000 62.2657 32.3244 176.2990 60 T 4.1920 8.1758 109.8761 61.1229 69.4973 173.9769 61 F 4.2276 8.7380 125.1238 58.6867 40.0854 174.1184 62 H 4.3066 7.7104 126.1625 53.8896 31.6996 173.8255 63 R 4.0671 7.8835 122.9732 57.2997 29.3739 177.5344 64 K 4.1609 7.7437 117.3605 58.1128 32.6396 177.1939 65 R 4.3177 7.5716 117.8143 54.8351 31.0485 176.2191 66 T 3.9059 8.1567 115.9611 65.1115 69.4268 173.6121 67 G 3.9994 8.6836 109.4589 44.0922 0.0000 172.9857 68 L 4.1909 8.9065 123.4581 55.3204 42.7533 176.4347 69 N 5.1628 8.8713 123.9022 55.0288 40.5578 173.6407 70 H 5.7617 7.8672 110.3281 55.5027 31.6450 171.9229 71 L 4.8758 8.7805 118.2343 52.9125 44.7563 175.4538 72 A 5.2355 8.2343 123.2154 50.2057 22.3245 175.1637 73 F 5.0213 9.4147 118.7180 55.7806 43.2370 174.3937 74 H 4.9934 9.1124 118.1522 55.7573 29.3857 174.5997 75 A 4.9210 8.5384 123.1415 49.9972 21.3310 176.6011 76 A 4.0642 8.7532 122.0800 54.6078 19.2293 178.1233 77 S 4.4982 7.2892 109.0735 56.7729 66.4953 176.7525 78 R 3.7352 8.0176 120.7016 59.1875 29.5429 179.0478 79 E 4.0077 8.0485 118.0845 59.2347 29.3905 179.1972 80 K 3.9297 7.7339 119.7517 59.4016 32.3269 178.9559 81 V 3.6283 7.6976 118.2291 66.2642 31.4490 177.7253 82 D 4.4555 8.8211 118.8268 57.3026 40.6931 178.3412 83 E 3.9582 8.6203 120.1985 59.4516 29.6152 178.9366 84 L 4.1979 8.3777 119.3433 58.0283 41.6096 179.7029 85 T 3.9217 8.0977 115.7655 66.7722 68.4473 176.7314 86 Q 3.9996 8.1513 119.9198 58.8665 28.7489 178.9837 87 K 3.9018 8.2138 119.4551 59.3282 32.2448 179.2020 88 L 3.7254 8.2559 119.5096 57.8689 41.4033 179.6564 89 K 3.8748 7.8227 116.6721 59.5483 32.0452 178.9619 90 E 4.0649 7.7724 117.7518 59.2898 29.5994 179.1034 91 R 4.0353 7.5934 112.7096 56.3614 29.7967 177.3882 92 G 3.8399 7.5480 107.4364 45.6865 0.0000 173.7119 93 D 4.3609 7.6519 119.1782 53.4172 41.5767 174.3966 94 P 4.3214 0.0000 0.0000 62.8996 32.4260 175.0919 95 I 4.7710 8.2869 125.6474 59.9780 38.3532 175.3076 96 L 4.1367 8.9059 127.5648 53.6306 43.5296 175.7903 97 Y 3.8287 7.8202 116.1161 58.7095 35.8576 172.7009 98 E 4.1357 8.3290 120.1044 59.3460 29.9098 179.5107 99 D 4.5281 8.1875 116.9805 55.2505 39.8757 176.9152 100 R 4.5859 8.3492 117.3504 55.4998 31.9305 175.0132 101 H 4.2396 7.5473 117.4333 56.4692 30.2725 172.5166 102 P 4.2677 0.0000 0.0000 62.5524 31.4779 176.0706 103 F 5.3136 8.2014 115.7653 56.9538 39.4045 177.6983 104 A 3.9778 8.4084 126.2468 54.7886 18.2114 179.5069 105 G 3.8329 8.5446 102.4663 45.0515 0.0000 172.6910 106 G 4.3110 7.9350 106.5100 42.3674 0.0000 173.6987 107 P 3.9204 0.0000 0.0000 64.8081 31.2684 176.9858 108 N 5.0284 8.2321 114.5481 52.9640 38.6634 173.8930 109 H 4.6453 8.6371 119.7227 54.4724 30.6237 171.2589 110 Y 4.4392 8.2610 128.2081 56.5404 39.4664 173.6830 111 A 4.9356 8.4633 127.7528 50.9901 23.1045 175.2212 112 V 4.4626 8.1189 118.9283 59.9472 34.2364 174.7025 113 F 5.5175 8.9989 122.5584 56.0715 42.1091 174.3369 114 C 5.1042 9.5952 117.2501 57.3598 33.5761 172.0398 115 E 5.2358 8.5677 117.6855 54.6874 32.3943 176.5660 116 D 3.3700 8.6229 123.8358 51.1218 40.8642 175.2626 117 P 4.2260 0.0000 0.0000 64.4531 31.1814 177.0467 118 N 4.6176 8.6532 115.1481 52.7845 38.8607 175.8451 119 R 4.0557 8.0751 116.5383 56.4337 28.2961 175.9954 120 I 4.2871 7.6310 119.7312 60.9788 38.5597 175.0942 121 K 4.7503 8.7139 127.6245 56.3421 33.6109 175.6815 122 V 5.2088 9.3582 127.0268 61.1945 35.0062 173.6294 123 E 5.0488 9.5339 128.0509 54.3807 33.3115 174.2502 124 I 5.1814 8.4002 126.6887 59.4640 40.6511 174.6598 125 V 4.8418 8.9510 126.9541 59.5812 33.9387 175.2691 126 A 4.6440 9.0147 126.7851 50.8675 19.4383 175.7624 127 P 4.3759 0.0000 0.0000 63.0316 31.7189 176.2594 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 -5 N 8.28 4.70 0.00 2.76 2.80 0.00 0.00 6.65 5.85 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 -4 L 8.42 3.96 0.00 1.76 1.65 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *-3 Y 8.04 3.99 0.00 2.37 2.20 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 *-2 F 8.00 4.28 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 6.69 4.61 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 0 G 8.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-3 L 8.08 3.78 0.00 0.96 0.84 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 8.12 4.39 0.00 2.37 2.44 0.00 6.51 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 6.79 5.00 0.00 3.14 3.42 0.00 6.86 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 V 8.23 3.85 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 6 E 8.87 4.80 0.00 2.01 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 2.16 2.29 0.00 7 I 8.32 4.59 1.48 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 0.90 0.00 0.00 8 N 8.83 5.20 0.00 2.62 2.77 0.00 0.00 6.85 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 9 V 9.13 4.51 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 0.89 0.00 0.00 1.03 0.00 0.00 10 D 9.46 4.15 0.00 2.66 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 11 H 7.85 4.70 0.00 3.24 3.14 0.00 5.95 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.71 3.90 0.00 1.93 1.59 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.02 3.95 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 2.39 2.43 0.00 14 E 8.30 4.04 0.00 2.32 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 2.40 1.97 0.00 15 S 8.23 4.26 0.00 4.10 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 16 I 8.49 3.91 1.98 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 1.54 0.90 1.06 0.00 0.00 17 A 7.82 4.06 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 18 F 8.00 4.07 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.24 3.80 0.00 3.11 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.37 4.49 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 7.67 3.93 0.00 3.36 3.18 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 0.00 0.00 0.00 0.00 22 L 7.40 2.44 0.00 0.62 0.79 0.18 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.55 3.59 0.00 1.26 1.02 -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.44 3.44 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 0.00 25 E 7.76 3.87 0.00 1.29 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 0.00 1.62 1.47 0.00 26 L 7.28 4.45 0.00 1.48 1.67 0.30 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.87 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 0.00 0.00 0.00 28 Y 8.32 4.79 0.00 2.85 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 29 E 9.13 5.01 0.00 2.09 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 2.40 2.39 0.00 30 D 8.89 4.42 0.00 2.62 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 31 Y 9.20 4.79 0.00 3.16 3.13 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 32 Q 8.88 4.59 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.53 0.00 0.00 0.00 0.00 0.00 1.89 1.26 0.00 33 S 8.90 5.33 0.00 3.72 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 0.00 34 W 8.74 5.24 0.00 3.43 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 35 S 9.13 4.15 0.00 4.03 4.11 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 36 R 7.20 4.32 0.00 2.10 2.02 0.00 3.41 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 37 G 5.67 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 0.00 0.00 0.00 38 K 7.79 5.05 0.00 1.55 1.50 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.48 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 1.25 7.81 39 S 9.48 5.58 0.00 4.08 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 0.00 40 Y 9.57 5.57 0.00 3.10 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 41 K 9.85 4.82 0.00 1.86 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.95 0.27 7.81 42 H 8.52 4.27 0.00 1.40 2.13 0.00 5.79 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 43 G 8.40 3.51 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 0.00 0.00 0.00 0.00 44 K 8.62 4.31 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.32 7.81 45 T 7.70 5.35 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 1.27 0.00 0.00 46 Y 8.78 5.30 0.00 2.80 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 47 L 9.06 4.89 0.00 1.76 1.39 1.00 0.60 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 48 V 8.12 4.90 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 1.33 0.00 0.00 0.97 0.00 0.00 49 F 9.66 5.24 0.00 2.99 2.89 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 50 V 8.83 4.83 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 1.13 0.00 0.00 1.14 0.00 0.00 51 Q 8.95 4.45 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 52 T 9.02 4.13 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 1.34 0.00 0.00 53 E 9.04 4.22 0.00 2.43 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 2.51 2.45 0.00 54 D 9.03 4.59 0.00 2.71 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 55 R 7.94 3.95 0.00 1.50 1.88 0.00 2.66 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.00 56 F 8.25 4.99 0.00 3.24 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 57 Q 8.30 4.21 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 58 T 7.20 4.70 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 59 P 0.00 4.55 0.00 2.21 2.07 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 60 T 8.18 4.19 4.35 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 1.27 0.00 0.00 61 F 8.74 4.23 0.00 3.04 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 62 H 7.71 4.31 0.00 3.02 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.88 4.07 0.00 2.22 2.27 0.00 2.94 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 64 K 7.74 4.16 0.00 1.92 1.92 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 65 R 7.57 4.32 0.00 1.82 1.83 0.00 3.14 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 66 T 8.16 3.91 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 1.22 0.00 0.00 67 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.91 4.19 0.00 1.84 1.78 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.87 5.16 0.00 2.89 2.88 0.00 0.00 6.75 7.89 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 70 H 7.87 5.76 0.00 3.45 3.33 0.00 5.13 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.78 4.88 0.00 1.76 1.33 1.01 0.57 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 72 A 8.23 5.24 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 73 F 9.41 5.02 0.00 2.89 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 74 H 9.11 4.99 0.00 3.05 3.27 0.00 5.84 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 75 A 8.54 4.92 1.25 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 0.00 0.00 0.00 76 A 8.75 4.06 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 77 S 7.29 4.50 0.00 4.05 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 78 R 8.02 3.74 0.00 1.49 1.14 0.00 2.65 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.27 0.00 79 E 8.05 4.01 0.00 2.02 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 2.39 2.42 0.00 80 K 7.73 3.93 0.00 1.80 1.95 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 81 V 7.70 3.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.06 0.00 0.00 82 D 8.82 4.46 0.00 2.90 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 83 E 8.62 3.96 0.00 2.09 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 2.36 2.39 0.00 84 L 8.38 4.20 0.00 1.90 1.78 0.83 0.38 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 85 T 8.10 3.92 4.44 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 1.11 0.00 0.00 86 Q 8.15 4.00 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 87 K 8.21 3.90 0.00 2.24 1.89 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.77 1.55 7.81 88 L 8.26 3.73 0.00 1.87 1.72 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.82 3.87 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.68 7.81 90 E 7.77 4.06 0.00 1.99 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 2.30 2.48 0.00 91 R 7.59 4.04 0.00 1.68 1.70 0.00 2.21 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.00 92 G 7.55 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 0.00 0.00 0.00 93 D 7.65 4.36 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.32 0.00 2.08 1.92 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 95 I 8.29 4.77 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.92 0.00 0.00 96 L 8.91 4.14 0.00 1.07 0.13 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.82 3.83 0.00 3.15 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 98 E 8.33 4.14 0.00 2.03 2.03 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 2.40 2.42 0.00 99 D 8.19 4.53 0.00 2.82 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 0.00 100 R 8.35 4.59 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 101 H 7.55 4.24 0.00 3.31 3.23 0.00 5.74 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 0.00 102 P 0.00 4.27 0.00 0.49 1.28 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 103 F 8.20 5.31 0.00 3.18 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 0.00 104 A 8.41 3.98 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 0.00 105 G 8.54 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.92 0.00 2.08 2.06 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 108 N 8.23 5.03 0.00 2.75 2.91 0.00 0.00 6.61 8.16 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 0.00 109 H 8.64 4.65 0.00 3.29 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.26 4.44 0.00 2.99 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.46 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.12 4.46 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 0.75 0.00 0.00 1.04 0.00 0.00 113 F 9.00 5.52 0.00 3.25 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 0.00 114 C 9.60 5.10 0.00 3.13 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 0.00 115 E 8.57 5.24 0.00 1.74 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 2.22 2.17 0.00 116 D 8.62 3.37 0.00 1.85 2.37 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 0.00 117 P 0.00 4.23 0.00 2.02 2.07 0.00 3.44 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 118 N 8.65 4.62 0.00 2.69 2.66 0.00 0.00 7.06 7.70 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 0.00 119 R 8.08 4.06 0.00 2.16 2.26 0.00 3.22 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 120 I 7.63 4.29 2.25 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.07 1.09 0.00 0.00 121 K 8.71 4.75 0.00 2.03 2.04 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.69 1.73 7.81 122 V 9.36 5.21 2.27 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 1.22 0.00 0.00 1.19 0.00 0.00 123 E 9.53 5.05 0.00 1.91 1.74 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 1.91 1.47 0.00 124 I 8.40 5.18 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.04 0.97 0.00 0.00 125 V 8.95 4.84 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 0.76 0.00 0.00 0.85 0.00 0.00 126 A 9.01 4.64 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 0.00 127 P 0.00 4.38 0.00 2.19 2.06 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.