NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7108 8.3033 117.8211 54.2905 29.5533 173.9308 4 H 4.0332 8.8418 115.9050 57.6908 26.1951 173.3573 5 H 4.4055 7.7230 114.7025 55.4479 30.3216 175.2553 6 H 4.1947 8.7969 121.8822 56.7516 30.1747 173.9492 7 H 4.8214 8.3573 125.7052 54.4528 31.8467 173.6331 8 H 4.4569 8.2225 128.3009 55.6334 31.5124 173.7311 *10 R 4.4970 8.2546 115.0543 56.4402 31.9418 174.8609 11 K 4.7025 9.2827 121.1241 54.6754 36.5170 175.2196 12 I 4.8512 8.0873 124.4593 59.4001 40.6500 173.9824 13 Y 4.5525 8.9012 129.2231 57.7629 39.8273 174.7872 14 I 4.4667 7.9680 129.1684 59.9977 36.4061 173.9864 15 A 4.2174 8.8710 127.8121 49.5527 20.1627 176.8287 16 G 4.4726 8.1610 113.0309 44.0016 0.0000 170.9908 17 P 4.3069 0.0000 0.0000 62.5793 31.4455 178.0167 18 A 3.6485 7.1336 123.7814 55.2272 18.2239 180.7673 19 V 3.4525 7.3403 114.3607 64.4162 31.1213 176.9074 20 F 4.7972 7.4163 116.9404 57.4448 39.1370 175.8462 21 N 4.5762 7.9815 119.5705 52.5230 38.9169 174.1621 22 P 4.1788 0.0000 0.0000 65.4947 31.8290 177.5090 23 D 4.3974 7.7534 117.4335 55.3550 40.2858 178.5125 *25 G 3.4827 7.8100 107.1832 43.4933 0.0000 173.7232 26 A 4.0429 8.0360 123.0773 55.5059 18.1368 180.3069 27 S 4.0580 8.6228 112.6203 61.6208 62.9982 176.0592 28 Y 3.8357 7.7029 122.5435 60.7204 38.7198 177.3514 29 Y 4.1734 8.1404 117.9513 61.0693 37.9237 178.3498 30 N 4.3213 8.5987 117.9243 56.2306 38.6227 177.5951 31 K 3.8368 7.6421 119.7551 59.1916 32.0562 179.5382 32 V 2.8713 7.2558 118.3897 65.8174 31.3639 178.1240 33 R 3.7754 8.1495 118.0454 59.3107 30.0083 178.6988 34 E 3.8640 8.0658 118.8566 59.0905 29.4145 178.6128 35 L 3.9856 7.4779 119.2449 58.2464 42.5031 178.6822 36 L 4.0082 7.8491 118.9575 57.2563 41.6219 179.0538 37 K 3.8613 8.1177 119.8240 59.7302 31.8251 178.8955 38 K 4.1218 7.6251 116.5620 58.5128 31.9316 178.1132 39 E 4.6157 7.8894 115.8292 54.8381 30.2325 174.8871 40 N 4.2440 7.8845 115.7485 54.8181 38.5850 174.3413 41 V 4.9454 7.8004 118.5681 60.3604 34.1974 172.5784 *43 P 4.2312 0.0000 0.0000 62.7408 32.6282 176.5304 44 L 4.5143 9.0256 124.2082 53.4798 43.2408 175.1734 45 I 4.2478 7.8557 125.2675 58.5336 38.7857 175.3393 46 P 4.7436 0.0000 0.0000 64.7380 31.2641 177.0831 47 T 4.5370 7.1738 104.2939 60.6061 69.4630 174.5696 48 D 4.2605 7.8805 123.7026 55.9767 41.4720 176.0729 49 N 4.0898 8.7604 121.0239 53.9987 36.5866 174.6707 50 E 3.8664 7.8491 117.9391 56.1157 30.4943 176.2212 51 A 4.4015 8.3959 129.4553 51.9894 19.6377 176.6013 52 T 4.2510 8.2323 108.1452 63.0329 70.1594 175.5892 53 E 4.3336 7.8883 122.4174 54.6191 31.5560 176.0521 54 A 3.9999 8.6757 128.3612 55.7559 18.3529 179.9342 55 L 3.9205 8.3616 117.0658 57.9133 41.5872 179.6124 56 D 4.3289 8.0052 118.5138 57.2685 40.8842 178.5434 57 I 3.6760 7.8098 120.3285 64.3065 37.0397 178.3434 58 R 3.8090 8.1409 119.5842 59.5861 29.8707 178.2513 59 Q 3.9486 8.2849 119.4881 59.1120 28.7940 178.2005 60 K 3.9296 8.0146 119.6876 59.5547 32.6525 178.2968 61 N 4.5524 8.2601 116.8415 56.3286 38.4425 177.4410 62 I 3.7116 8.0809 121.6031 64.1581 37.1775 179.2915 63 Q 4.2393 8.1473 119.6353 56.2484 28.7288 178.1370 *65 I 3.8621 7.7668 120.3021 60.7286 39.0996 178.2410 66 K 3.9259 8.0015 118.3599 59.4347 31.9098 177.9570 67 D 4.5499 8.0580 117.2599 55.7574 41.1907 176.6218 68 C 4.4925 7.3699 113.8730 57.9651 30.5742 173.0310 69 D 4.7255 8.7609 120.2636 56.1652 41.5258 176.7635 70 A 4.7950 7.7078 117.6240 50.6461 23.3436 174.9995 71 V 4.8438 8.4971 118.9224 61.2899 34.3522 174.3863 72 I 5.0486 8.4993 128.3695 59.8158 39.1817 174.2603 73 A 5.1140 9.3331 130.0449 50.0860 21.4683 174.9238 74 D 3.4515 9.0248 124.0470 52.8456 41.0393 175.5898 75 L 4.5720 7.9550 127.7616 54.4710 42.2953 177.5701 76 S 4.5055 8.1835 115.2663 57.5230 64.2318 172.4255 77 P 4.2337 0.0000 0.0000 63.5849 31.0877 175.5125 78 F 4.7315 8.7828 124.0749 57.1965 41.3590 174.3170 79 R 3.4461 9.0073 128.0341 56.6210 26.5917 175.4758 80 G 3.6662 7.7329 104.1876 44.5234 0.0000 174.4793 81 H 4.2735 8.3875 116.0426 57.6416 29.1770 175.6422 82 E 4.4779 7.6354 120.5207 54.7057 30.1996 174.6515 83 P 5.1210 0.0000 0.0000 61.5001 32.4254 176.1340 84 D 4.6176 8.4146 119.0382 54.5119 42.4512 176.7412 85 C 4.3871 8.9029 122.2029 61.1421 29.8572 176.3644 86 G 3.6111 8.3167 108.0506 48.0333 0.0000 175.6323 87 T 4.2240 8.6545 119.6065 65.7388 68.4128 176.5227 88 A 3.9646 8.0701 122.6382 55.0537 18.3205 179.2895 89 F 3.9919 8.5755 119.3840 61.7115 39.2022 177.2880 90 E 4.0437 8.4870 118.1005 59.3488 29.1864 179.5212 91 V 3.7148 8.2036 118.7139 65.7894 31.5650 178.3060 92 G 3.4592 8.1471 105.5667 47.8198 0.0000 175.0152 93 C 3.7881 7.9970 121.5952 62.0969 31.5288 175.5535 94 A 3.9388 8.0537 121.9728 55.0483 18.0341 179.3584 95 A 3.9045 8.1958 119.1741 55.4171 18.2568 179.8026 96 A 3.9912 7.7621 117.9307 54.7276 18.4544 178.8164 97 L 4.3321 7.3829 114.5703 53.8167 41.9419 176.3381 98 N 4.3781 7.7540 114.8559 54.3573 38.1796 175.1725 99 K 4.4456 8.0050 125.3972 56.8797 32.3269 180.7703 *101 V 4.0945 8.7782 127.3291 63.6170 32.6216 172.9832 102 L 5.1184 9.3454 128.1256 53.1314 44.7700 175.6667 103 T 5.4217 8.8980 113.2929 59.9947 72.3045 172.7050 104 F 5.8201 8.9743 117.2296 56.1932 42.0674 172.9900 105 T 5.0828 8.7917 112.8733 60.9506 70.1415 173.9632 106 S 4.4063 8.8379 120.8861 59.6867 63.4892 173.8933 107 D 4.5381 8.2428 120.3263 53.1516 42.1026 174.6752 108 R 4.3464 8.4564 124.5137 55.9771 31.0945 177.5861 109 R 4.2289 7.6613 118.3527 56.0549 31.8245 178.0990 110 N 5.1186 8.3838 115.8985 52.4136 38.2193 178.8658 *112 R 4.6377 8.5357 123.2460 57.3798 32.0428 177.4397 113 E 4.0142 8.1585 116.4329 59.2490 29.8549 178.3701 114 K 3.9419 8.0639 117.4246 59.6054 32.0382 178.0268 115 Y 3.9877 7.9633 113.8574 58.4220 38.2121 176.5892 116 G 3.8805 8.8796 107.0595 45.4392 0.0000 172.6470 117 S 4.4682 7.3743 112.6055 57.5703 65.1260 175.8876 118 G 3.9500 8.3182 110.1233 46.1955 0.0000 173.7048 119 V 4.7666 7.3923 112.0684 59.3022 35.7408 175.3945 120 D 4.8252 8.5454 122.2655 52.0482 41.2765 177.0916 121 K 4.0636 8.7021 117.1640 59.6813 32.5068 177.1609 122 D 4.6992 8.2393 117.6391 53.6595 40.9108 175.5837 123 N 4.2359 8.0571 115.6228 54.4377 37.9795 173.4794 124 L 4.5087 8.1374 116.6083 52.9316 43.3140 176.6180 125 R 4.3445 8.6041 122.6358 56.6050 30.7773 175.9724 126 V 4.1642 8.3760 124.1522 60.7496 32.6297 175.5637 127 E 4.1407 9.0140 127.2988 57.1290 30.5036 177.0288 128 G 4.2530 8.2901 109.0656 44.9408 0.0000 172.8108 129 F 4.6120 7.9180 111.7887 56.6172 40.3227 176.1944 130 G 3.9270 8.1818 107.3285 46.7505 0.0000 173.8803 131 L 4.5672 7.5029 117.5527 51.6253 44.8103 175.9494 132 P 4.7259 0.0000 0.0000 63.6659 31.7180 175.3338 133 F 4.8363 7.0527 112.3287 55.3645 40.3763 172.6530 134 N 4.5363 9.3365 117.7565 53.3666 39.3586 175.7372 135 L 4.2467 8.9521 129.3852 55.6698 38.9787 178.3473 *137 L 4.2484 7.6302 116.1996 54.9868 43.8859 176.4799 138 Y 4.8425 8.0812 120.6906 55.8653 40.0784 174.6732 139 D 4.6327 8.2954 124.7508 52.8018 40.1180 176.3202 140 G 3.7018 6.2850 108.3458 45.6805 0.0000 174.7929 141 V 3.6341 7.0615 119.1146 61.8247 32.0930 175.2760 142 E 3.7082 8.3995 126.6249 56.6291 29.7057 176.5831 143 V 3.8393 8.0763 125.2918 62.1193 31.9178 175.8198 144 F 4.6709 8.7853 126.6931 57.3175 39.6844 176.1485 145 D 5.0440 8.7142 120.6918 55.5074 41.4836 177.1051 146 S 4.3748 7.5756 112.8717 55.8807 66.6016 175.2020 147 F 3.2414 7.4652 123.9112 61.2471 39.0418 176.9117 148 E 4.0685 8.1408 117.8389 59.5901 29.1877 179.4475 149 S 4.1134 8.0476 114.0005 61.2298 63.1147 176.3979 150 A 2.5800 7.3934 124.1016 54.3963 18.0663 179.3824 151 F 4.1909 8.0496 119.4358 61.2447 39.4581 177.4958 152 K 3.7588 8.0138 118.2931 59.4379 31.9148 178.6127 153 Y 3.9306 7.5697 119.7844 60.4954 38.6370 177.7341 154 F 4.1666 8.3142 121.5593 61.5632 39.2860 177.1534 155 L 3.8001 7.6829 116.7865 57.5777 41.3963 179.0325 156 A 4.0573 7.5915 119.4263 53.6699 18.5383 177.6598 157 N 4.6431 7.4160 111.6678 52.9833 40.3607 174.9452 158 F 4.2513 7.7838 120.3645 55.2589 39.0681 172.0662 159 P 4.5129 0.0000 0.0000 61.4538 32.7040 177.6136 160 S 4.3759 8.4347 113.7866 59.0178 62.7746 174.4931 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 3 H 8.30 4.71 0.00 3.02 3.09 0.00 5.93 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.84 4.03 0.00 3.36 3.39 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.72 4.41 0.00 3.13 3.30 0.00 5.86 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 6 H 8.80 4.19 0.00 3.15 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.36 4.82 0.00 3.07 3.14 0.00 5.97 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 8 H 8.22 4.46 0.00 3.16 3.24 0.00 6.01 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.25 4.50 0.00 2.02 2.14 0.00 3.42 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 11 K 9.28 4.70 0.00 1.64 1.64 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 12 I 8.09 4.85 1.68 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 0.41 0.31 0.85 0.00 0.00 13 Y 8.90 4.55 0.00 3.08 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 14 I 7.97 4.47 1.75 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 1.21 0.89 1.14 0.00 0.00 15 A 8.87 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.16 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.31 0.00 1.68 1.46 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 18 A 7.13 3.65 0.49 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 19 V 7.34 3.45 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 -0.50 0.00 0.00 0.72 0.00 0.00 20 F 7.42 4.80 0.00 3.29 3.19 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 21 N 7.98 4.58 0.00 2.86 2.78 0.00 0.00 6.92 7.61 0.00 0.00 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 P 0.00 4.18 0.00 2.04 2.15 0.00 3.67 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 2.04 2.11 0.00 23 D 7.75 4.40 0.00 2.67 2.90 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 *25 G 7.81 3.48 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 26 A 8.04 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.62 4.06 0.00 4.03 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 28 Y 7.70 3.84 0.00 2.83 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 29 Y 8.14 4.17 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.60 4.32 0.00 2.71 2.82 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.64 3.84 0.00 1.61 1.61 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.46 7.81 32 V 7.26 2.87 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 0.67 0.00 0.00 -0.56 0.00 0.00 33 R 8.15 3.78 0.00 1.92 1.89 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 34 E 8.07 3.86 0.00 2.08 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 2.27 2.28 0.00 35 L 7.48 3.99 0.00 1.70 1.62 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.85 4.01 0.00 1.71 1.83 0.13 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.12 3.86 0.00 1.99 1.98 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 38 K 7.63 4.12 0.00 2.13 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.67 7.81 39 E 7.89 4.62 0.00 2.23 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 0.00 2.46 2.48 0.00 40 N 7.88 4.24 0.00 2.89 2.92 0.00 0.00 6.90 7.20 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 41 V 7.80 4.95 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 0.87 0.00 0.00 1.25 0.00 0.00 *43 P 0.00 4.23 0.00 2.00 1.95 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 44 L 9.03 4.51 0.00 1.72 1.78 0.98 0.73 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 45 I 7.86 4.25 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.45 -0.23 0.00 0.00 46 P 0.00 4.74 0.00 1.94 2.22 0.00 3.29 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 47 T 7.17 4.54 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 1.23 0.00 0.00 48 D 7.88 4.26 0.00 2.75 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 49 N 8.76 4.09 0.00 2.77 2.82 0.00 0.00 7.00 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 50 E 7.85 3.87 0.00 2.22 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 2.37 2.29 0.00 51 A 8.40 4.40 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 52 T 8.23 4.25 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 1.21 0.00 0.00 53 E 7.89 4.33 0.00 2.09 1.97 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 2.33 2.57 0.00 54 A 8.68 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.36 3.92 0.00 1.76 1.73 0.92 0.96 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 56 D 8.01 4.33 0.00 2.84 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 57 I 7.81 3.68 2.01 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 1.40 0.77 0.91 0.00 0.00 58 R 8.14 3.81 0.00 1.86 2.07 0.00 2.94 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 59 Q 8.28 3.95 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 60 K 8.01 3.93 0.00 1.90 1.96 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 61 N 8.26 4.55 0.00 3.05 2.92 0.00 0.00 7.03 7.16 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 62 I 8.08 3.71 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.91 0.00 0.00 63 Q 8.15 4.24 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 *65 I 7.77 3.86 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.15 0.78 0.00 0.00 66 K 8.00 3.93 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 D 8.06 4.55 0.00 2.68 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 68 C 7.37 4.49 0.00 3.20 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 69 D 8.76 4.73 0.00 2.39 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 70 A 7.71 4.79 1.39 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 0.00 0.00 71 V 8.50 4.84 2.19 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 1.07 0.00 0.00 1.07 0.00 0.00 72 I 8.50 5.05 1.88 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 0.94 0.00 0.00 73 A 9.33 5.11 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 74 D 9.02 3.45 0.00 2.49 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 75 L 7.95 4.57 0.00 1.43 1.20 0.17 0.54 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 76 S 8.18 4.51 0.00 3.79 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 77 P 0.00 4.23 0.00 2.21 2.15 0.00 3.78 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 2.05 2.03 0.00 78 F 8.78 4.73 0.00 2.86 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 79 R 9.01 3.45 0.00 1.52 1.68 0.00 2.63 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 80 G 7.73 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.39 4.27 0.00 2.91 3.21 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.64 4.48 0.00 2.27 1.97 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 2.50 2.54 0.00 83 P 0.00 5.12 0.00 1.98 1.99 0.00 3.82 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.24 0.00 84 D 8.41 4.62 0.00 2.27 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 85 C 8.90 4.39 0.00 3.25 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.32 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 4.22 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 1.22 0.00 0.00 88 A 8.07 3.96 1.41 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 0.00 0.00 89 F 8.58 3.99 0.00 3.18 3.27 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 90 E 8.49 4.04 0.00 2.45 2.22 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 2.53 2.65 0.00 91 V 8.20 3.71 2.19 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 1.06 0.00 0.00 0.95 0.00 0.00 92 G 8.15 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.00 3.79 0.00 2.67 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 94 A 8.05 3.94 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 95 A 8.20 3.90 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 96 A 7.76 3.99 1.30 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 0.00 0.00 97 L 7.38 4.33 0.00 1.73 1.69 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.75 4.38 0.00 2.91 2.91 0.00 0.00 6.92 7.45 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 99 K 8.01 4.45 0.00 1.77 1.12 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 *101 V 8.78 4.09 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 0.82 0.00 0.00 1.03 0.00 0.00 102 L 9.35 5.12 0.00 1.64 1.65 1.20 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.90 5.42 4.29 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 1.25 0.00 0.00 104 F 8.97 5.82 0.00 3.36 3.34 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 0.00 105 T 8.79 5.08 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 1.43 0.00 0.00 106 S 8.84 4.41 0.00 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 0.00 107 D 8.24 4.54 0.00 2.65 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 0.00 108 R 8.46 4.35 0.00 1.82 1.92 0.00 3.57 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 109 R 7.66 4.23 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 110 N 8.38 5.12 0.00 2.72 2.23 0.00 0.00 6.88 7.18 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 *112 R 8.54 4.64 0.00 1.89 2.02 0.00 3.36 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 113 E 8.16 4.01 0.00 2.12 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 0.00 114 K 8.06 3.94 0.00 1.58 1.18 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.50 7.81 115 Y 7.96 3.99 0.00 2.97 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 0.00 116 G 8.88 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 0.00 117 S 7.37 4.47 0.00 3.83 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 0.00 118 G 8.32 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.39 4.77 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 0.78 0.00 0.00 0.96 0.00 0.00 120 D 8.55 4.83 0.00 2.94 2.54 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 0.00 121 K 8.70 4.06 0.00 1.91 2.04 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 122 D 8.24 4.70 0.00 2.77 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 0.00 123 N 8.06 4.24 0.00 2.84 2.88 0.00 0.00 7.06 7.93 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 0.00 124 L 8.14 4.51 0.00 1.89 1.51 0.91 1.05 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 0.00 125 R 8.60 4.34 0.00 1.67 1.85 0.00 3.17 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 126 V 8.38 4.16 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 0.74 0.00 0.00 0.46 0.00 0.00 127 E 9.01 4.14 0.00 2.19 2.19 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 2.57 2.40 0.00 128 G 8.29 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 0.00 0.00 0.00 0.00 129 F 7.92 4.61 0.00 2.97 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 0.00 130 G 8.18 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 0.00 0.00 0.00 131 L 7.50 4.57 0.00 1.58 1.25 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.73 0.00 1.75 2.12 0.00 2.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 133 F 7.05 4.84 0.00 3.10 3.15 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 0.00 134 N 9.34 4.54 0.00 2.79 2.91 0.00 0.00 7.36 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.95 4.25 0.00 1.75 1.74 0.77 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *137 L 7.63 4.25 0.00 1.72 1.50 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.08 4.84 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.30 4.63 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.29 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 0.00 0.00 0.00 141 V 7.06 3.63 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 0.41 0.00 0.00 0.92 0.00 0.00 142 E 8.40 3.71 0.00 1.76 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 1.65 2.11 0.00 143 V 8.08 3.84 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 1.01 0.00 0.00 1.09 0.00 0.00 144 F 8.79 4.67 0.00 3.41 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 0.00 145 D 8.71 5.04 0.00 2.78 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 0.00 146 S 7.58 4.37 0.00 4.05 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 0.00 147 F 7.47 3.24 0.00 2.72 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 0.00 148 E 8.14 4.07 0.00 2.10 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 2.44 2.52 0.00 149 S 8.05 4.11 0.00 4.20 4.18 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 0.00 150 A 7.39 2.58 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 0.00 151 F 8.05 4.19 0.00 2.60 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 0.00 152 K 8.01 3.76 0.00 1.98 1.80 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.63 7.81 153 Y 7.57 3.93 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.31 4.17 0.00 3.27 3.19 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 0.00 155 L 7.68 3.80 0.00 1.56 1.53 0.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.59 4.06 1.18 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 0.00 0.00 157 N 7.42 4.64 0.00 2.40 2.60 0.00 0.00 6.68 7.21 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 0.00 158 F 7.78 4.25 0.00 2.35 1.58 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 0.00 159 P 0.00 4.51 0.00 2.15 1.94 0.00 3.50 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 160 S 8.43 4.38 0.00 3.93 3.92 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 * Residues marked with a * may have inaccurate shift predictions.