NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 4.3981 8.1693 120.6504 54.2571 42.9398 176.4778 30 S 4.1433 8.5191 118.8889 55.8920 63.3139 173.1140 31 P 4.4377 0.0000 0.0000 65.3835 32.1039 178.4116 32 N 4.5216 8.1795 115.2349 54.1885 37.6279 174.6104 33 L 4.8357 7.7616 119.2771 53.0109 43.9444 175.6278 34 I 4.4370 8.2689 123.5144 59.3750 39.0160 175.5085 35 G 4.2670 8.6853 115.1208 45.6053 0.0000 173.8986 36 F 4.7078 9.4237 127.2552 60.0870 40.2803 175.2701 37 N 4.7401 8.1975 117.2440 52.4166 37.5743 174.2596 38 S 4.7503 7.5047 111.7488 57.0174 67.7653 173.1446 39 N 4.2604 8.6488 119.7215 56.5089 38.1862 177.4865 40 E 3.9668 8.1378 119.5324 59.4747 29.3252 179.5967 41 G 3.8216 7.9915 106.9707 47.1124 0.0000 175.7486 42 E 3.8211 8.1889 120.8869 59.2389 29.4657 179.4453 43 K 3.8535 7.9638 118.4881 59.4507 31.8330 179.3237 44 L 3.5250 7.5804 118.5236 57.3426 41.5588 179.0883 45 L 4.3554 7.6127 120.0300 58.2160 41.8881 179.0484 46 L 4.0473 7.8989 118.2233 57.4506 41.6645 177.9473 47 T 4.2136 7.9460 106.7883 61.5818 69.3467 174.9487 48 S 4.3076 7.4583 117.3958 58.5509 62.8818 173.7331 49 R 4.5954 8.9816 124.7242 56.2644 30.6150 177.4888 50 S 4.7307 8.3291 115.7084 56.5833 63.8126 174.6205 51 R 4.9501 7.9916 114.0103 55.2504 31.8340 177.5399 52 E 4.2489 8.3567 121.2709 60.3744 28.9424 179.0052 53 D 4.5938 8.1532 117.9923 56.7967 40.8580 178.2166 54 F 3.9572 8.0310 121.6356 61.3192 39.0391 176.9200 55 F 3.9678 7.5382 115.5907 59.9263 38.8735 175.4190 56 P 4.4055 0.0000 0.0000 66.0592 31.4826 177.9598 57 L 3.9850 7.9391 118.9191 57.0882 41.3162 180.8476 58 S 3.9299 7.3280 113.0883 58.1239 61.7805 175.1415 *60 Q 4.1652 8.0840 118.6876 55.7596 30.3420 175.4321 61 F 4.4679 7.8799 120.7098 58.9180 39.6031 174.6094 62 V 4.4488 8.1614 125.5964 60.0018 34.5141 174.6076 63 T 4.4747 8.1618 117.5609 61.7935 69.5041 175.0701 64 Q 4.2905 8.6505 124.5143 56.6812 29.0194 178.0719 65 V 3.6562 9.1926 122.5414 65.8670 31.0701 174.9711 66 N 4.8415 7.6616 114.1148 51.9785 39.8248 174.4414 67 Q 4.3476 9.0714 117.4381 58.7584 29.4567 178.2409 68 A 4.1345 7.7978 117.5934 55.0686 18.7154 178.0447 69 Y 4.4507 8.4518 112.6866 58.3145 37.9630 176.9968 70 C 4.1853 8.1597 118.8321 61.5698 29.4034 176.3154 71 G 3.4350 7.9041 107.6351 47.2709 0.0000 175.6018 72 V 2.8540 7.3913 120.0641 65.4016 31.2426 177.6634 73 A 3.9472 7.7290 119.1380 55.3255 18.5844 179.5180 74 S 4.1346 7.9851 113.4348 61.6707 62.9068 176.9512 75 I 3.5090 7.6305 122.8857 63.9359 36.9417 180.5301 76 I 3.6452 7.2594 115.2356 60.4658 37.2029 178.2466 *78 V 3.2695 7.7975 121.2072 63.8867 33.5346 177.0768 79 L 3.5639 7.9642 119.7043 57.6529 41.4273 179.1083 80 N 4.3742 7.8727 115.2310 56.4708 38.5703 176.8039 81 S 4.1898 7.4527 112.7418 60.9700 63.0781 175.3089 82 L 4.1895 7.6446 119.2874 55.3122 41.6475 177.7910 83 G 4.0257 7.9349 105.5305 46.1797 0.0000 176.5823 84 I 4.1287 7.6766 119.3029 60.5254 36.3621 177.6591 85 N 4.6606 8.8906 126.2730 52.7325 36.6021 174.6539 86 A 3.5923 8.1994 125.7475 50.4330 19.6424 175.1770 87 P 4.2114 0.0000 0.0000 62.8975 32.9334 175.3443 88 E 4.8400 8.7540 123.8225 54.8069 31.0350 174.6215 89 T 4.7030 8.1420 115.8038 58.9534 72.3311 174.9793 90 A 3.9815 8.5845 123.3659 54.7863 18.4654 178.5433 91 Q 3.8307 8.0676 115.5247 59.3188 28.9511 177.2833 92 Y 4.9098 7.6463 112.0201 57.3062 38.6658 175.8355 93 S 4.5049 7.9335 116.0704 57.9293 63.3091 173.5573 94 P 4.3398 0.0000 0.0000 64.2485 31.4269 176.1832 95 Y 4.2627 7.7598 117.9318 57.9753 38.4994 174.7702 96 R 4.9345 8.6521 122.3141 53.8561 31.9085 175.9717 97 V 4.5402 8.0323 121.4692 60.6130 34.0821 173.2527 98 F 4.4751 8.9792 122.0760 57.6829 39.4789 175.0738 99 T 4.8793 8.4412 117.6797 61.0427 72.7280 175.0181 100 Q 4.1724 8.8524 122.2989 59.3329 28.8073 178.3132 101 D 4.6552 8.3544 118.1819 56.4989 41.6810 176.7742 102 N 4.8800 8.0838 114.8906 52.8351 37.7797 176.2007 103 F 4.3183 8.0384 123.3989 61.3669 39.4282 175.2359 104 F 4.5419 7.9848 114.7709 57.3622 38.8129 176.8397 105 S 4.2071 8.0847 118.7904 60.8599 63.2104 174.7877 106 N 4.2004 7.9377 120.1067 53.1168 39.2211 174.7461 107 E 3.9044 8.7214 128.1363 59.6693 29.4808 179.3056 108 K 3.8643 7.4843 117.0443 59.8078 32.2341 179.2202 109 T 3.9224 7.5810 115.2624 66.6293 68.1357 176.5621 110 K 4.0827 8.0998 120.1556 59.7213 31.8312 179.1392 111 A 4.1837 7.5449 120.0696 54.5306 18.3085 179.6601 112 V 3.7018 7.3825 116.4063 64.7296 32.1199 176.1635 113 I 4.2437 6.8742 114.6093 58.2662 41.6394 174.1918 114 A 3.9647 8.5614 128.9791 52.0409 19.6858 176.6174 115 P 2.9700 0.0000 0.0000 65.5408 30.8966 178.9009 116 E 3.9007 7.9492 116.6072 59.2282 29.3104 179.5636 117 V 3.4312 7.4572 117.7511 66.0839 31.8355 178.0361 118 V 4.1110 7.9313 118.8819 65.5246 31.1288 177.7609 119 A 4.2574 8.3316 119.5157 54.4593 18.1600 178.8840 120 R 4.4079 7.3181 115.1925 57.2582 31.4231 177.2462 121 Q 4.5841 8.2730 112.9016 55.0415 30.6094 176.7583 122 G 4.2866 7.7437 110.1588 47.3302 0.0000 176.1891 *124 T 4.2648 8.1651 117.4813 60.6175 70.8313 173.7907 125 L 3.8272 8.1514 121.3654 58.5751 41.9249 178.4523 126 D 4.3670 8.0583 118.1304 57.4467 40.7716 178.6002 127 E 3.9637 8.1517 118.8266 59.0959 29.4931 178.7893 128 L 3.9804 8.4391 121.0033 58.2839 42.0266 178.9323 129 G 3.8505 8.0607 105.3155 48.3893 0.0000 175.6988 130 R 3.9773 8.2488 121.1206 58.5808 29.8210 179.3054 131 L 4.1193 8.2932 118.5162 57.7760 42.0135 179.3534 132 I 3.9960 8.0094 119.5017 64.5309 37.1729 178.2944 133 A 4.3941 8.5494 123.1822 54.5031 17.8648 179.6381 134 S 4.2066 7.8293 111.6227 60.9307 63.1223 174.5745 135 Y 4.2683 7.8049 119.3483 57.8150 37.5267 175.8683 136 G 3.9143 8.1834 107.1572 46.3269 0.0000 174.4538 137 V 4.3198 7.4540 112.2448 59.1813 33.8686 174.6614 138 K 4.5069 8.7354 124.0442 56.0090 33.2292 176.0342 139 V 5.0764 8.3763 125.9775 59.8163 34.6725 174.5854 140 K 4.5111 9.1939 125.0002 54.6989 34.7917 174.6196 141 V 4.1045 8.3712 127.8878 61.7810 32.9519 175.0656 142 N 4.6258 8.4188 125.4759 51.0612 40.5796 173.3195 143 H 4.4234 8.4134 121.0383 55.2118 29.8581 176.7738 144 A 4.0530 8.8794 126.6545 55.4524 17.8551 180.2107 145 S 4.3037 8.0784 110.6864 60.6631 63.1684 175.1091 146 D 4.8652 8.0430 120.7576 56.2979 41.7419 175.9400 147 T 4.8489 8.1726 116.7708 62.0941 71.5944 172.7119 148 N 4.5519 8.3669 118.8558 51.2296 41.5494 174.7444 149 I 2.8987 6.5784 120.0571 63.9330 37.7983 177.7459 150 E 3.8810 7.6984 118.8225 59.4746 29.3321 178.9038 151 D 4.3424 7.9117 118.4166 57.1604 40.9810 178.1521 152 F 4.0500 8.3539 121.3391 61.4383 39.2846 177.1316 153 R 3.4659 8.2658 118.3729 59.1519 29.9966 178.4406 154 K 3.8076 7.8630 119.3160 59.6590 32.2800 178.9358 155 Q 3.9618 8.2557 118.6388 58.7359 28.5477 178.8885 156 V 3.5723 7.7088 119.1329 65.9135 31.3174 177.7428 157 A 3.9853 7.6631 119.3082 55.2969 18.3684 179.2053 158 E 4.0045 7.9890 116.4563 59.7547 29.6313 179.1058 159 N 4.1297 7.9910 116.3078 56.5588 38.5173 177.3461 160 L 4.1241 8.2567 119.5729 56.8432 41.4885 178.9525 161 K 4.1542 7.7530 117.2422 56.6549 32.6812 176.6601 162 Q 4.5113 7.2185 118.5932 53.9281 30.2032 175.3528 163 D 4.3354 8.3294 121.1544 54.1774 40.1060 177.0528 164 G 4.0508 8.6901 107.6076 45.9175 0.0000 172.3119 165 N 5.4369 7.1187 116.1248 51.2685 41.7140 173.9585 166 F 5.2941 9.9026 121.8863 54.3760 43.7725 174.2554 167 V 5.1595 8.5293 119.2983 60.1480 34.6558 174.2500 168 I 4.8169 8.7936 124.2711 59.6171 40.3634 174.9017 169 V 4.9147 8.7380 119.7044 59.6666 34.5298 174.2986 170 N 5.4777 9.4632 122.5732 52.0486 41.5959 172.7556 171 Y 4.8026 8.1813 122.9941 55.7046 42.3431 173.4449 172 L 4.5357 8.8827 123.5085 54.0226 42.7618 177.4593 173 R 4.1717 8.9910 127.2675 59.2833 30.5337 179.4030 174 K 4.8273 7.9944 116.0894 59.3516 32.6501 178.8551 175 E 4.0300 7.9612 118.6440 58.2278 29.3909 177.5011 176 I 4.2333 8.1161 111.3725 60.3685 37.7521 176.2231 177 G 3.9029 8.3080 107.6020 47.2764 0.0000 173.4142 178 Q 4.6418 7.6185 118.0720 53.6830 31.2692 175.3074 179 E 4.9504 9.9239 120.5758 55.2960 29.7393 177.1550 180 R 4.3399 8.8240 124.3510 54.8919 26.0634 178.8233 181 G 4.2768 9.1726 120.6959 46.2952 0.0000 173.2078 182 G 4.0297 8.5764 107.5244 46.6412 0.0000 172.7100 183 H 5.0862 8.9247 121.9061 54.2265 34.2053 171.8792 184 I 5.1117 7.3455 120.8146 59.8532 40.7429 175.0278 185 S 5.0926 8.5825 119.6068 57.7622 67.7671 172.8768 186 P 4.8630 0.0000 0.0000 62.6761 32.0521 175.7689 187 L 4.7141 8.6156 122.3663 54.0129 42.3390 176.4842 188 A 4.7048 8.6267 123.8213 52.9167 21.4251 176.2341 189 A 4.8494 7.4383 114.2884 51.4964 22.7626 174.6000 190 Y 5.0932 9.4263 120.5064 55.8134 42.3675 173.8518 191 N 4.4546 8.8027 125.7825 51.8052 39.8521 174.9947 192 E 3.4654 8.3828 126.5323 59.5146 29.8515 178.7303 193 Q 4.0012 7.9298 115.9572 58.5657 28.6993 177.7035 194 T 4.1568 7.5162 104.3031 60.3197 70.3857 173.2964 195 D 4.3641 7.5969 121.1302 54.8427 40.1052 172.5283 196 R 5.3050 7.0371 116.9686 54.6265 35.0259 176.0790 197 F 5.4273 9.5011 121.0085 55.8326 42.1895 174.5687 198 L 3.9976 8.7612 125.2914 54.1321 42.6574 175.0338 199 I 4.2289 8.0294 132.2532 60.5177 40.4267 174.4950 *201 D 4.6839 8.5899 126.0085 55.2378 41.5275 177.5482 202 V 3.9530 8.7973 120.6185 63.8819 32.4742 177.2287 203 S 4.5089 8.4207 118.7636 57.8879 61.4234 175.9168 204 R 4.0915 7.7012 119.4815 58.6803 30.4653 178.3836 205 Y 4.3120 7.5823 114.0651 58.2626 38.4108 175.6653 206 K 4.1712 7.8003 119.9838 57.5117 33.9829 175.3500 207 Y 5.0466 7.2341 114.5899 55.2923 41.6487 173.2291 208 P 4.7395 0.0000 0.0000 61.3189 32.8560 174.0694 209 P 4.8901 0.0000 0.0000 62.3659 32.5082 175.9903 210 V 4.8880 8.0163 120.7473 59.8223 35.3413 174.4294 211 W 5.2207 9.7341 124.8393 55.8374 30.2451 175.4241 212 V 4.7583 8.9692 126.0191 59.2563 33.5863 175.6118 213 K 4.4543 8.8620 123.5104 57.3493 32.7062 177.9629 214 T 4.3406 9.2319 121.5664 67.2993 68.5715 177.1029 215 T 4.0960 8.0420 111.2059 64.8817 68.8987 176.2880 216 D 4.3841 8.1350 121.2874 57.1084 40.7406 178.3399 217 L 3.8384 7.8961 119.7120 57.5550 42.1356 178.3457 218 W 4.0548 8.6054 127.8603 60.4605 30.7592 177.4642 219 K 3.9638 7.8227 117.2852 59.2870 31.8007 178.6051 220 A 4.0952 7.7628 117.7081 52.5430 18.7123 177.0891 *222 N 4.3431 7.9919 116.4714 55.0626 38.6361 174.1227 223 T 4.6592 7.2055 108.7556 59.8822 73.2742 174.2859 224 V 4.3494 8.2359 123.6936 61.9690 32.6645 174.7083 225 D 4.5985 9.0448 129.6506 53.7111 41.4186 177.3733 226 S 4.1197 8.8525 121.4374 61.2095 63.6148 175.9088 227 V 3.7060 8.0535 120.8099 65.7252 31.2349 177.1202 228 S 4.3157 8.1665 111.4221 58.4636 63.5324 174.0112 229 Q 3.5112 8.1560 118.5597 56.6219 26.8305 173.0599 230 K 4.7383 7.6241 115.2043 54.2875 36.4522 175.8574 231 T 4.3446 8.3726 116.3592 62.5436 68.3034 174.7896 232 R 4.1491 8.7883 126.1645 56.6697 32.3358 176.0775 233 G 4.0898 6.9710 106.2465 46.7253 0.0000 171.3461 234 F 5.3658 7.6217 116.6040 55.2088 42.1393 174.2973 235 V 4.5859 8.8545 119.7718 61.1816 34.5937 174.2459 236 F 5.6298 8.8119 126.2192 56.4306 41.4147 175.0576 237 V 5.0303 9.0158 122.0371 61.2723 35.0316 175.3654 238 S 4.7545 9.0399 121.4590 58.6667 63.1391 173.8525 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 29 L 8.17 4.40 0.00 1.72 1.75 1.00 0.59 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 30 S 8.52 4.14 0.00 4.16 4.03 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 P 0.00 4.44 0.00 2.21 2.25 0.00 3.79 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 2.00 1.97 0.00 32 N 8.18 4.52 0.00 3.01 3.01 0.00 0.00 5.92 7.79 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 33 L 7.76 4.84 0.00 1.79 1.62 0.84 0.61 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 34 I 8.27 4.44 1.99 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 1.17 1.01 0.95 0.00 0.00 35 G 8.69 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 0.00 0.00 0.00 0.00 36 F 9.42 4.71 0.00 2.99 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 37 N 8.20 4.74 0.00 2.96 3.11 0.00 0.00 5.79 7.58 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 38 S 7.50 4.75 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.65 4.26 0.00 2.71 2.86 0.00 0.00 6.82 7.66 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 40 E 8.14 3.97 0.00 1.96 1.90 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 2.34 2.34 0.00 41 G 7.99 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 42 E 8.19 3.82 0.00 2.05 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 1.87 2.25 0.00 43 K 7.96 3.85 0.00 1.91 1.73 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.46 7.81 44 L 7.58 3.53 0.00 0.36 0.13 0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.61 4.36 0.00 2.21 1.96 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.90 4.05 0.00 1.62 1.70 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.95 4.21 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 1.11 0.00 0.00 48 S 7.46 4.31 0.00 3.95 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 49 R 8.98 4.60 0.00 2.13 1.93 0.00 3.13 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 50 S 8.33 4.73 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.99 4.95 0.00 1.98 2.16 0.00 3.23 0.00 0.00 3.65 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 52 E 8.36 4.25 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 53 D 8.15 4.59 0.00 2.98 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 54 F 8.03 3.96 0.00 3.09 2.85 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 55 F 7.54 3.97 0.00 3.27 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 56 P 0.00 4.41 0.00 2.32 2.30 0.00 4.24 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 57 L 7.94 3.99 0.00 1.49 1.47 0.99 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.33 3.93 0.00 3.47 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 Q 8.08 4.17 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.16 0.00 61 F 7.88 4.47 0.00 3.04 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 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0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 139 V 8.38 5.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 140 K 9.19 4.51 0.00 1.96 1.91 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.39 7.81 141 V 8.37 4.10 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 0.69 0.00 0.00 0.86 0.00 0.00 142 N 8.42 4.63 0.00 1.44 1.81 0.00 0.00 6.63 8.24 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 0.00 143 H 8.41 4.42 0.00 3.32 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.88 4.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.08 4.30 0.00 4.05 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 0.00 146 D 8.04 4.87 0.00 2.82 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 0.00 147 T 8.17 4.85 4.62 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 1.44 0.00 0.00 148 N 8.37 4.55 0.00 2.58 2.79 0.00 0.00 5.61 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 6.58 2.90 0.59 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.57 0.00 0.00 150 E 7.70 3.88 0.00 2.01 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 2.34 2.39 0.00 151 D 7.91 4.34 0.00 2.88 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 0.00 152 F 8.35 4.05 0.00 3.18 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 0.00 153 R 8.27 3.47 0.00 1.98 2.03 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 154 K 7.86 3.81 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 155 Q 8.26 3.96 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 156 V 7.71 3.57 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 0.75 0.00 0.00 0.48 0.00 0.00 157 A 7.66 3.99 1.05 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 0.00 158 E 7.99 4.00 0.00 2.12 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 2.28 2.61 0.00 159 N 7.99 4.13 0.00 2.94 2.83 0.00 0.00 7.13 6.02 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 0.00 160 L 8.26 4.12 0.00 1.91 1.93 1.24 1.15 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 0.00 161 K 7.75 4.15 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.75 7.81 162 Q 7.22 4.51 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 163 D 8.33 4.34 0.00 2.89 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 0.00 164 G 8.69 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 0.00 165 N 7.12 5.44 0.00 2.31 2.52 0.00 0.00 6.66 7.33 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 0.00 166 F 9.90 5.29 0.00 2.95 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 0.00 167 V 8.53 5.16 2.44 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 0.92 0.00 0.00 1.01 0.00 0.00 168 I 8.79 4.82 1.87 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 1.21 0.78 0.93 0.00 0.00 169 V 8.74 4.91 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 0.70 0.00 0.00 1.13 0.00 0.00 170 N 9.46 5.48 0.00 2.69 2.71 0.00 0.00 6.79 7.76 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 0.00 171 Y 8.18 4.80 0.00 2.98 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 0.00 172 L 8.88 4.54 0.00 1.72 1.69 0.93 1.04 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 0.00 173 R 8.99 4.17 0.00 2.11 2.08 0.00 3.20 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 0.00 174 K 7.99 4.83 0.00 2.00 2.20 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.39 7.81 175 E 7.96 4.03 0.00 2.08 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 2.35 2.53 0.00 176 I 8.12 4.23 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.85 0.00 0.00 177 G 8.31 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 0.00 0.00 0.00 178 Q 7.62 4.64 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.08 0.00 0.00 0.00 0.00 0.00 1.65 2.07 0.00 179 E 9.92 4.95 0.00 2.09 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 2.49 2.49 0.00 180 R 8.82 4.34 0.00 1.93 1.76 0.00 3.29 0.00 0.00 3.36 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 181 G 9.17 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.58 4.03 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 0.00 0.00 0.00 183 H 8.92 5.09 0.00 2.84 2.19 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 7.35 5.11 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.87 0.00 0.00 185 S 8.58 5.09 0.00 3.90 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 0.00 186 P 0.00 4.86 0.00 1.85 1.94 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 187 L 8.62 4.71 0.00 1.53 1.61 0.61 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.63 4.70 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 0.00 189 A 7.44 4.85 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 0.00 190 Y 9.43 5.09 0.00 2.81 2.74 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 0.00 191 N 8.80 4.45 0.00 1.91 2.10 0.00 0.00 6.89 7.53 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 0.00 192 E 8.38 3.47 0.00 1.79 1.89 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 2.30 2.41 0.00 193 Q 7.93 4.00 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 194 T 7.52 4.16 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 1.04 0.00 0.00 195 D 7.60 4.36 0.00 2.95 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 0.00 196 R 7.04 5.30 0.00 1.79 2.08 0.00 3.04 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 197 F 9.50 5.43 0.00 3.15 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 0.00 198 L 8.76 4.00 0.00 0.27 0.81 -0.09 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 199 I 8.03 4.23 1.78 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.96 0.97 0.00 0.00 *201 D 8.59 4.68 0.00 2.82 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 0.00 202 V 8.80 3.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.07 0.00 0.00 203 S 8.42 4.51 0.00 3.87 3.41 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 0.00 0.00 0.00 204 R 7.70 4.09 0.00 1.68 1.85 0.00 3.04 0.00 0.00 3.70 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.33 0.00 205 Y 7.58 4.31 0.00 3.08 3.08 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 0.00 206 K 7.80 4.17 0.00 1.22 1.49 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.89 7.81 207 Y 7.23 5.05 0.00 3.10 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 P 0.00 4.74 0.00 2.36 2.21 0.00 4.05 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 2.11 2.19 0.00 209 P 0.00 4.89 0.00 1.91 1.85 0.00 4.10 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 210 V 8.02 4.89 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 1.00 0.00 0.00 211 W 9.73 5.22 0.00 3.39 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 0.00 212 V 8.97 4.76 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 0.95 0.00 0.00 0.92 0.00 0.00 213 K 8.86 4.45 0.00 1.77 1.88 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.48 7.81 214 T 9.23 4.34 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 1.64 0.00 0.00 215 T 8.04 4.10 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 1.28 0.00 0.00 216 D 8.14 4.38 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 0.00 217 L 7.90 3.84 0.00 1.64 1.93 0.49 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 218 W 8.61 4.05 0.00 3.40 3.31 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 0.00 219 K 7.82 3.96 0.00 1.90 1.97 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 220 A 7.76 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *222 N 7.99 4.34 0.00 1.75 2.44 0.00 0.00 6.92 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 0.00 223 T 7.21 4.66 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 1.21 0.00 0.00 224 V 8.24 4.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 225 D 9.04 4.60 0.00 2.71 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 0.00 226 S 8.85 4.12 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 8.05 3.71 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 0.80 0.00 0.00 0.93 0.00 0.00 228 S 8.17 4.32 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 8.16 3.51 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 230 K 7.62 4.74 0.00 1.66 1.53 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.42 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.41 7.81 231 T 8.37 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 232 R 8.79 4.15 0.00 1.69 1.92 0.00 3.25 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 233 G 6.97 4.09 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 0.00 0.00 0.00 234 F 7.62 5.37 0.00 3.11 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 0.00 235 V 8.85 4.59 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 0.97 0.00 0.00 0.82 0.00 0.00 236 F 8.81 5.63 0.00 3.11 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 0.00 237 V 9.02 5.03 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 0.94 0.00 0.00 0.99 0.00 0.00 238 S 9.04 4.75 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.