NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2621 8.1085 119.7048 55.7289 31.9125 175.7811 3 A 3.8413 8.7542 124.1324 53.9812 18.2939 178.5620 4 D 4.3456 8.4459 119.0339 56.2961 40.0308 176.8773 5 A 4.0077 7.8091 122.0285 54.7764 18.6026 179.1763 6 L 3.9177 8.0660 118.9958 58.1565 42.1180 179.3764 7 K 4.0049 8.1472 118.6173 59.3048 31.9546 179.3399 8 R 3.8709 7.9189 118.7860 59.3715 30.1528 178.4779 9 R 3.9569 8.1166 118.5345 59.6444 30.0845 178.3943 10 E 3.9218 8.1662 118.1792 59.5880 29.3622 178.8239 11 H 4.1659 8.4867 118.4748 59.1306 29.8909 177.4757 12 I 3.6306 7.8543 121.8657 64.1904 36.9247 178.4422 13 I 3.4519 7.5377 120.2461 64.6556 36.9488 178.5779 14 T 3.7172 7.5904 116.4113 66.8785 68.1507 176.8021 15 T 3.7363 7.8456 117.6407 66.8438 68.3678 176.8653 16 T 3.5661 7.7012 117.4901 66.6895 68.2261 176.4298 17 C 4.2156 7.8127 117.2749 63.0481 28.6004 175.6926 18 N 4.4720 8.2149 117.8527 56.3514 38.1356 177.4286 19 L 3.9189 8.0912 120.6559 58.0603 41.4449 179.2424 20 Y 4.5772 7.8618 115.6302 60.8020 37.7933 178.2584 21 R 4.2635 7.8158 117.7724 57.5435 30.4814 177.1549 22 T 4.4458 7.8611 106.4644 61.4609 70.7998 173.7747 23 H 4.8744 8.4256 118.3060 53.4239 31.8010 173.5065 24 H 4.2084 8.4815 118.7942 56.4550 29.3851 176.4590 25 H 4.4799 8.9809 122.0560 59.0067 28.7626 177.0419 26 D 4.6608 8.0955 116.8341 54.9306 39.7061 177.1011 27 S 4.3589 7.8341 113.9260 59.4443 63.6515 174.1289 28 L 4.5034 7.3377 121.4720 54.1177 43.4900 175.2371 29 T 4.4725 7.7312 111.1529 62.0718 69.0307 175.7627 *31 E 4.3190 8.9422 117.6878 56.3917 31.3674 177.3465 32 N 4.3318 8.2193 116.0731 56.3294 38.4161 177.6184 33 I 3.5694 7.8840 120.9981 64.1466 37.3127 178.2915 34 A 3.9458 7.8844 121.1194 55.0954 18.2729 179.0052 35 E 3.8670 8.2179 117.7077 59.7773 29.5284 179.1966 36 Q 3.9982 7.9819 116.3140 58.6413 28.8389 177.9613 37 A 4.2524 8.1726 120.0683 52.2474 18.5619 178.1134 38 G 3.8407 7.7505 104.9734 45.9887 0.0000 173.8654 39 V 4.4148 7.4036 111.5665 58.8327 34.4870 176.4318 40 G 3.9175 8.1847 107.5322 44.0636 0.0000 174.9974 41 V 3.7020 8.3587 120.3993 66.0402 31.6168 178.2461 42 A 4.1509 8.0839 119.8683 55.4627 18.0712 179.6248 43 T 3.8010 7.8800 113.7135 66.5873 68.5880 176.2183 44 L 4.0049 8.0414 122.2498 58.8155 41.8986 178.8723 45 Y 4.7525 8.3349 116.3970 60.3011 37.8004 178.0106 46 R 4.0657 7.9685 119.4550 59.2899 30.2129 177.9994 47 N 4.3624 7.6374 115.6761 54.3939 39.0106 175.1012 48 F 4.7605 7.9816 120.1631 54.8020 40.7385 173.8073 49 P 4.6593 0.0000 0.0000 65.0159 31.6230 176.4597 50 D 4.7979 7.6790 116.6694 51.2004 43.1234 175.9971 51 R 3.8450 8.5713 118.7824 59.5449 29.7863 177.8424 52 F 4.2273 8.2870 118.7767 61.7355 39.4724 176.7566 53 T 3.9751 8.6581 114.6245 66.3898 68.5344 176.1432 54 L 3.5115 7.9077 122.1592 57.9518 42.0185 180.1501 55 D 4.5137 8.0509 116.8179 54.7489 40.7639 178.2219 *57 A 4.3104 8.0346 124.8137 52.5358 20.8272 179.8915 58 C 4.1475 8.1780 113.4902 62.7990 28.1031 175.8468 59 A 3.8740 8.0524 122.5023 55.2786 17.9833 179.3101 60 Q 4.0485 8.1536 117.3069 59.6255 29.1962 177.6562 61 Y 4.1677 8.1761 120.3506 60.9409 38.7928 178.2567 62 L 3.7189 8.2882 120.0236 57.6718 41.5848 179.5256 63 F 4.2835 8.5407 118.1892 60.6351 38.9582 177.3509 64 N 4.3348 8.3111 116.1260 56.3086 38.3424 177.6524 65 V 3.4330 7.5562 119.4275 65.9328 31.5769 178.0975 66 V 3.6297 8.0551 118.4066 66.2341 31.2410 177.9501 67 I 3.9758 8.2071 119.7469 64.6919 36.8596 178.6442 68 S 4.1903 8.0697 115.5783 61.4626 62.5306 176.7531 69 L 4.1098 8.1974 121.8045 57.8896 40.8752 179.4892 70 Q 3.9150 8.7053 118.4136 59.1015 28.6921 179.0394 71 L 4.0691 8.3747 120.3419 57.6380 41.6296 179.3436 72 Q 3.9542 8.4978 119.6590 59.1300 29.0044 178.2263 73 A 4.0727 8.3418 122.0060 55.1708 18.2028 179.6033 74 I 3.6751 7.9738 117.8003 64.6963 37.3228 178.6127 75 S 4.2909 7.8793 113.5572 61.6088 63.0039 176.0529 76 T 4.1855 8.2215 118.7448 65.0725 68.3672 176.5175 77 F 3.7621 8.3384 123.4143 61.2205 39.1063 175.4685 78 P 4.4526 0.0000 0.0000 64.8616 31.0780 177.0655 79 T 4.4621 7.0051 105.3642 60.9651 69.2037 174.6464 80 D 4.5215 7.9010 117.0955 52.0761 43.3909 174.1282 81 P 3.3756 0.0000 0.0000 65.7258 31.9194 178.1337 82 E 4.0575 8.0340 117.3579 59.0970 29.6407 178.9499 83 G 3.6030 7.9313 106.5858 47.2892 0.0000 175.7255 84 V 3.5495 8.0123 121.6970 65.1314 31.5420 177.7491 85 W 4.4685 8.0593 128.4209 60.9160 30.5264 178.0612 86 T 3.7068 8.0971 115.6948 66.7209 67.9987 176.9611 87 S 4.1985 8.1635 116.1555 61.2539 62.8740 176.2329 88 F 4.0884 8.4544 124.3782 61.2616 39.1642 176.9698 89 N 4.0581 7.7969 115.5750 56.1644 38.3168 177.3065 90 Q 3.9300 8.3121 119.9276 58.9821 28.8051 179.0025 91 L 3.9042 7.8137 121.0273 58.1512 42.1615 179.0480 92 L 3.8278 7.3814 118.5539 57.4672 41.4335 179.2137 93 F 3.9513 8.2541 120.6270 61.6043 39.2058 177.0796 94 D 4.4640 8.5810 117.0420 56.5193 40.6011 177.8761 95 R 4.4720 7.6216 117.1237 55.5079 30.3745 176.6642 96 G 3.7168 7.5788 106.7041 46.5300 0.0000 175.8827 97 L 3.8021 7.9182 123.9598 58.1705 41.7736 179.0999 98 G 3.7315 7.7932 105.3576 46.1949 0.0000 175.2714 99 S 4.3607 7.5948 116.6052 60.6334 63.6865 176.3261 100 L 3.7912 8.0591 122.0875 57.3972 41.2278 179.6186 101 V 3.3912 7.6092 118.4877 65.5141 31.3377 176.4605 102 P 4.1593 0.0000 0.0000 65.6434 31.1741 177.7749 103 A 3.6992 7.3862 119.7658 54.0218 18.1923 178.5688 104 L 4.2662 7.2945 114.4720 53.8146 43.4264 177.0262 105 A 4.1344 7.6251 123.1963 51.0340 18.8529 175.7041 106 P 4.6512 0.0000 0.0000 62.2766 32.6688 176.8029 107 E 4.1084 8.8010 114.3790 58.1881 29.8667 176.2517 108 S 4.8544 7.9631 112.3601 56.0641 65.2956 174.7432 109 L 4.2576 8.4376 125.5948 57.1093 41.6625 178.8963 110 D 4.4931 7.9238 118.1709 56.7840 40.7930 176.9885 111 D 4.6407 7.8786 117.3619 54.9884 41.2334 176.8177 112 L 4.2474 7.5355 120.1237 53.8433 42.2598 176.0273 113 P 4.5371 0.0000 0.0000 62.4292 33.3556 177.2155 114 D 4.3934 8.8017 120.0954 57.8647 40.6795 179.3023 115 E 3.9956 8.1270 117.4639 59.3235 29.6492 179.2694 116 V 3.5592 7.6873 118.7961 65.6789 31.7296 177.7799 117 S 3.9505 8.3602 113.0113 61.1429 62.1643 176.0164 118 A 3.9177 7.9386 123.5329 55.1696 18.1677 179.5874 119 L 3.7803 7.4356 117.0986 57.7412 41.6110 179.7295 120 R 3.2956 7.4378 118.7005 59.2073 29.9502 178.7829 121 R 3.9040 7.8122 117.8009 59.6580 30.0005 179.1899 122 T 3.8829 7.8053 115.4529 66.9112 68.3879 176.9038 123 T 4.2657 7.8775 119.0424 66.1968 68.4336 176.7024 124 E 4.0778 8.3852 120.6189 59.0959 29.5986 179.3093 125 K 3.9369 8.2384 119.7482 59.7322 32.2565 178.7090 126 N 4.3928 8.5717 117.0840 56.5510 38.3489 177.5681 127 T 3.9835 8.0954 117.3340 66.8801 68.4522 176.7836 128 T 3.8523 7.8109 117.3005 66.8945 68.4950 176.7576 129 T 3.7676 7.7321 117.1711 66.5876 68.4504 176.6833 130 L 3.6811 8.0432 120.9466 57.8022 41.6135 179.5665 131 I 3.2872 8.2106 119.9801 64.4569 36.9965 178.2668 132 N 4.2230 8.2426 117.4022 56.1222 38.2943 177.5281 133 L 3.6535 7.4836 120.2613 57.4274 41.5606 179.3592 134 A 3.6795 7.2658 120.7250 54.8952 18.2363 179.8384 135 K 3.9376 7.9029 118.7348 58.9523 31.8279 179.2728 136 Q 3.9188 7.6177 118.8692 59.0304 28.9480 177.1948 137 H 4.7687 7.7565 114.3600 54.9049 28.9399 175.4868 138 G 3.8336 7.4127 107.5829 46.5524 0.0000 175.1625 139 L 4.2316 8.1155 121.7157 54.8864 42.4674 176.8983 140 V 4.4277 6.9692 117.9115 60.5091 34.4421 173.9473 141 H 4.1082 9.3261 127.7268 56.5023 30.2125 175.9190 142 H 4.2141 8.3484 122.6044 58.6396 28.7118 176.4366 143 D 4.5352 8.1980 117.6769 55.9791 41.1269 176.4781 144 I 3.9338 7.4412 120.5180 60.6251 37.6644 176.4024 145 A 4.2993 8.4919 127.3751 51.1114 20.5011 176.1283 146 P 4.4761 0.0000 0.0000 65.9606 31.4817 179.5571 147 G 3.7303 8.1718 103.9133 47.9398 0.0000 175.8626 148 T 4.0093 7.9859 117.6510 66.5757 68.4891 175.9228 149 Y 4.8793 8.0877 122.7467 60.3414 38.8399 178.2834 150 I 3.3659 7.9396 120.5673 64.4309 37.2110 178.6155 151 V 3.6618 7.9630 119.1361 65.8176 31.2820 178.3237 152 G 3.4404 8.2932 105.5684 47.6251 0.0000 175.4087 153 L 3.6910 7.8634 123.3699 57.7891 41.8199 179.1665 154 I 3.6291 7.4945 118.6322 64.4882 37.2660 178.3987 155 T 3.9612 7.9957 116.9804 66.6377 68.1812 176.9967 156 I 3.8027 7.6854 113.4706 63.5219 37.7323 177.5892 157 S 4.3016 7.8147 116.0768 58.4428 62.6806 173.7360 158 R 4.1478 7.4524 122.4813 54.4491 30.0304 174.4893 159 P 4.0642 0.0000 0.0000 61.8785 31.8959 174.3454 160 P 4.4315 0.0000 0.0000 61.8064 32.1598 176.5452 161 I 3.8545 8.0239 113.2659 61.1152 38.2902 176.9293 162 T 3.7796 8.7721 118.5224 67.0641 68.3511 176.1635 163 A 3.9579 8.0716 121.8178 54.8287 18.2298 177.9960 164 L 4.4688 7.8662 112.5021 54.4127 42.3824 176.6337 165 A 4.2417 8.0290 123.5439 51.8402 19.0327 177.1679 166 T 4.7320 7.9853 111.0994 59.4180 71.7491 174.4629 167 I 3.8550 8.4636 123.9172 64.6682 37.3068 178.0733 168 S 4.1461 8.0205 113.2224 59.5469 63.2730 174.7009 169 E 3.8941 8.6280 118.3225 57.3916 27.4699 175.8870 170 N 4.3172 8.0749 119.0480 56.5855 38.2628 177.1722 171 S 4.1334 8.0841 114.7072 62.0092 63.2593 175.9060 172 H 4.5079 8.3765 122.4899 60.0580 29.5021 177.9587 173 K 4.1352 8.9565 125.6547 59.6851 31.5051 180.7022 174 A 4.1740 8.3537 121.2666 54.9853 18.2113 179.6734 175 L 3.9806 7.7924 117.8535 57.6360 41.5868 179.4871 176 L 3.8092 7.2387 120.4463 57.8851 42.0135 179.0932 177 G 3.6328 7.8449 105.1730 47.9961 0.0000 175.4528 178 L 4.0868 7.9181 121.5388 57.4270 41.6129 179.0155 179 Y 4.2954 8.2316 119.6255 60.8576 38.7830 178.1207 180 L 4.0234 8.0771 119.9567 57.7054 41.6854 179.4748 181 S 4.2344 8.1974 113.1992 61.2425 62.2724 176.4426 182 G 3.6510 8.2722 108.4267 47.9223 0.0000 175.4576 183 L 3.9307 8.1409 122.2800 57.3344 41.3646 179.7824 184 K 4.0620 7.6904 119.7399 59.2922 32.3813 178.3080 185 H 4.4950 8.1673 113.8420 56.1667 28.9112 175.7006 186 G 3.9745 8.2501 114.9861 45.7277 0.0000 173.2873 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 R 8.11 4.26 0.00 1.88 2.05 0.00 3.12 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 3 A 8.75 3.84 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 4 D 8.45 4.35 0.00 2.87 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 5 A 7.81 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.07 3.92 0.00 1.78 1.85 0.93 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.15 4.00 0.00 2.08 1.83 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.32 7.81 8 R 7.92 3.87 0.00 2.08 2.06 0.00 3.10 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 1.64 1.64 0.00 9 R 8.12 3.96 0.00 2.06 2.10 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 10 E 8.17 3.92 0.00 2.31 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 2.33 2.18 0.00 11 H 8.49 4.17 0.00 3.22 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.85 3.63 2.20 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.89 0.00 0.00 13 I 7.54 3.45 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.53 0.00 0.00 14 T 7.59 3.72 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 15 T 7.85 3.74 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 16 T 7.70 3.57 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 0.87 0.00 0.00 17 C 7.81 4.22 0.00 3.09 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 18 N 8.21 4.47 0.00 2.84 2.83 0.00 0.00 7.07 6.35 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 19 L 8.09 3.92 0.00 1.51 1.42 0.69 0.53 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 20 Y 7.86 4.58 0.00 3.08 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 21 R 7.82 4.26 0.00 2.01 1.97 0.00 3.28 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 22 T 7.86 4.45 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 H 8.43 4.87 0.00 3.13 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.48 4.21 0.00 3.27 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.98 4.48 0.00 3.26 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.10 4.66 0.00 2.79 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 27 S 7.83 4.36 0.00 4.06 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.34 4.50 0.00 1.68 1.50 0.61 0.60 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 29 T 7.73 4.47 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 1.22 0.00 0.00 *31 E 8.94 4.32 0.00 2.15 2.10 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 2.34 2.47 0.00 32 N 8.22 4.33 0.00 2.96 2.80 0.00 0.00 7.06 7.05 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 33 I 7.88 3.57 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.75 0.00 0.00 34 A 7.88 3.95 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 35 E 8.22 3.87 0.00 2.20 2.10 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 2.31 2.23 0.00 36 Q 7.98 4.00 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 37 A 8.17 4.25 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 38 G 7.75 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 39 V 7.40 4.41 2.10 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 0.81 0.00 0.00 1.01 0.00 0.00 40 G 8.18 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 0.00 0.00 0.00 41 V 8.36 3.70 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.99 0.00 0.00 42 A 8.08 4.15 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 43 T 7.88 3.80 4.41 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 1.21 0.00 0.00 44 L 8.04 4.00 0.00 1.79 1.95 0.96 0.72 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 Y 8.33 4.75 0.00 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0.00 1.70 1.74 0.94 0.64 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 72 Q 8.50 3.95 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 73 A 8.34 4.07 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 74 I 7.97 3.68 1.87 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 1.49 0.65 0.89 0.00 0.00 75 S 7.88 4.29 0.00 4.07 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 76 T 8.22 4.19 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 1.21 0.00 0.00 77 F 8.34 3.76 0.00 3.39 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 78 P 0.00 4.45 0.00 2.10 2.18 0.00 3.85 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 79 T 7.01 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.76 0.00 121 R 7.81 3.90 0.00 2.01 1.93 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 122 T 7.81 3.88 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 1.22 0.00 0.00 123 T 7.88 4.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 124 E 8.39 4.08 0.00 2.17 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 2.40 2.59 0.00 125 K 8.24 3.94 0.00 2.01 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 126 N 8.57 4.39 0.00 2.93 2.87 0.00 0.00 7.09 6.69 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 0.00 127 T 8.10 3.98 4.54 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 1.54 0.00 0.00 128 T 7.81 3.85 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 1.19 0.00 0.00 129 T 7.73 3.77 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 1.13 0.00 0.00 130 L 8.04 3.68 0.00 1.77 1.71 0.35 1.11 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 0.00 131 I 8.21 3.29 1.84 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.76 0.00 0.00 132 N 8.24 4.22 0.00 2.77 2.74 0.00 0.00 7.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.48 3.65 0.00 0.83 0.42 0.60 0.72 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 0.00 134 A 7.27 3.68 0.25 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 0.00 135 K 7.90 3.94 0.00 1.72 1.53 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.25 7.81 136 Q 7.62 3.92 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.18 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 137 H 7.76 4.77 0.00 3.26 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.41 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 0.00 139 L 8.12 4.23 0.00 1.27 1.29 0.91 0.75 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 0.00 140 V 6.97 4.43 1.69 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 0.87 0.00 0.00 0.39 0.00 0.00 141 H 9.33 4.11 0.00 3.34 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.35 4.21 0.00 3.06 3.27 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.20 4.54 0.00 2.77 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 0.00 144 I 7.44 3.93 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 1.01 0.00 0.00 145 A 8.49 4.30 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 0.00 146 P 0.00 4.48 0.00 2.25 2.22 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 147 G 8.17 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.99 4.01 4.51 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 1.32 0.00 0.00 149 Y 8.09 4.88 0.00 3.25 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 0.00 150 I 7.94 3.37 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.92 0.00 0.00 151 V 7.96 3.66 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 1.09 0.00 0.00 0.98 0.00 0.00 152 G 8.29 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 0.00 153 L 7.86 3.69 0.00 1.55 1.54 1.00 1.25 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 0.00 154 I 7.49 3.63 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.84 0.00 0.00 155 T 8.00 3.96 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 1.15 0.00 0.00 156 I 7.69 3.80 1.83 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 0.98 0.56 0.64 0.00 0.00 157 S 7.81 4.30 0.00 3.87 3.68 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 0.00 158 R 7.45 4.15 0.00 1.70 1.80 0.00 3.07 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 159 P 0.00 4.06 0.00 2.09 1.87 0.00 3.73 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 1.90 1.89 0.00 160 P 0.00 4.43 0.00 2.02 1.99 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 161 I 8.02 3.85 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.89 0.00 0.00 162 T 8.77 3.78 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 1.20 0.00 0.00 163 A 8.07 3.96 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 0.00 164 L 7.87 4.47 0.00 1.72 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.03 4.24 1.26 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 0.00 0.00 166 T 7.99 4.73 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 0.00 167 I 8.46 3.86 1.87 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 1.47 0.55 0.91 0.00 0.00 168 S 8.02 4.15 0.00 3.99 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 0.00 169 E 8.63 3.89 0.00 2.38 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 2.21 2.14 0.00 170 N 8.07 4.32 0.00 2.73 2.88 0.00 0.00 7.02 8.84 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 0.00 171 S 8.08 4.13 0.00 3.87 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 0.00 172 H 8.38 4.51 0.00 3.25 3.57 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.96 4.14 0.00 1.76 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.33 7.81 174 A 8.35 4.17 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 0.00 175 L 7.79 3.98 0.00 1.84 1.75 1.03 0.52 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 0.00 176 L 7.24 3.81 0.00 0.27 1.07 0.77 0.54 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 0.00 177 G 7.84 3.63 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 0.00 0.00 0.00 178 L 7.92 4.09 0.00 1.91 1.78 0.94 0.79 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 0.00 179 Y 8.23 4.30 0.00 3.07 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 0.00 180 L 8.08 4.02 0.00 1.79 1.83 0.79 0.66 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 0.00 181 S 8.20 4.23 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.27 3.65 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 0.00 0.00 0.00 183 L 8.14 3.93 0.00 1.83 1.73 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.69 4.06 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.39 7.81 185 H 8.17 4.49 0.00 3.17 3.35 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.