NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.6404 8.1927 115.2835 58.5224 64.1007 175.2343 12 E 4.0729 8.0682 117.6121 57.0878 29.5786 175.6139 13 L 4.2729 8.5110 118.2747 57.3486 43.0434 177.1430 14 S 4.8636 7.8250 114.7216 58.1538 63.8561 175.5128 15 G 3.7999 7.9290 109.8407 45.0845 0.0000 170.4999 16 P 5.4444 0.0000 0.0000 60.9495 29.9949 176.0397 17 W 4.5621 8.0907 121.1040 57.4072 30.5271 176.1545 18 R 5.1982 8.8590 117.1252 54.6629 32.5082 174.6854 19 T 3.8356 8.6163 117.7091 63.9578 68.9249 173.5667 20 V 3.8545 8.1272 125.1223 64.0378 33.1859 174.6738 21 Y 5.7396 6.5516 116.3817 55.1584 42.5398 173.7423 22 I 4.8995 8.6027 122.1920 59.6202 41.4261 174.5061 23 G 4.4730 9.1638 113.9984 44.7366 0.0000 172.2855 24 S 5.3204 8.5243 116.0091 56.4990 65.2366 174.3677 25 T 4.0450 8.7778 116.1325 63.3787 69.7403 173.7846 26 N 4.8208 8.1606 121.4351 50.9194 39.8825 172.8223 27 P 4.3453 0.0000 0.0000 65.5818 31.5138 178.9827 28 E 4.0806 8.3420 117.3034 59.1982 29.6437 179.4043 29 K 3.9556 8.2017 117.9462 58.3206 32.2010 178.0913 30 I 4.6022 7.5648 109.5905 60.3298 38.4231 175.6459 31 Q 4.2470 7.5674 120.9735 55.1468 29.3016 174.9969 32 E 4.1077 8.4890 120.0141 58.2525 29.7675 176.9268 33 N 4.8888 8.5244 120.7440 53.8286 36.3614 174.6803 34 G 4.0072 8.2815 108.8708 44.0823 0.0000 173.5726 35 P 4.2343 0.0000 0.0000 64.9059 31.5023 177.2278 36 F 4.5715 8.4542 116.1481 57.2542 39.3785 176.9908 37 R 4.5588 7.6552 123.4513 55.2521 28.1867 175.3553 38 T 4.8101 7.7163 108.7893 60.5141 70.7744 175.7076 39 Y 4.5126 9.5793 126.3349 56.5073 38.6790 175.3271 40 F 4.9105 9.1758 124.1061 57.9556 39.5965 175.7748 41 R 4.7306 9.3449 120.3048 57.4217 33.5136 175.4363 42 E 5.3197 8.0337 117.1150 55.0356 33.3801 173.8918 43 L 5.0401 9.0248 125.1295 52.7676 45.5351 175.5890 44 V 4.5943 8.2600 122.3628 61.2434 34.0795 174.0657 45 F 4.9114 9.1414 127.4796 56.2679 40.5720 175.3200 46 D 4.7610 9.0679 123.0213 52.5259 43.0334 175.9275 47 D 4.4866 8.8364 127.3861 57.1128 41.3173 178.8702 48 E 4.0940 8.3752 118.9468 58.3100 29.8162 177.2136 49 K 4.2605 8.2939 116.2182 55.3801 33.4523 176.1227 50 G 3.9474 7.7043 106.5997 47.0684 0.0000 172.8815 51 T 5.3021 8.0002 107.5574 59.6265 73.2912 173.9144 52 V 4.4131 8.6360 121.7524 61.2628 34.8247 173.7397 53 D 5.1112 8.7808 128.4348 53.1366 42.7663 175.3387 54 F 4.6300 9.1000 122.5293 55.7530 41.5802 174.3450 55 Y 5.0895 8.5281 120.7754 56.0947 41.0307 174.6894 56 F 5.4140 8.3636 118.2703 55.8059 42.1217 172.9106 57 S 5.4789 9.4557 115.2451 56.9337 64.7208 173.2229 58 V 5.0554 8.6516 124.8152 60.1978 35.2352 173.4649 59 K 5.0083 8.8457 124.5386 55.4280 33.8421 175.5343 60 R 4.7415 8.8398 126.0762 55.7953 33.9384 174.8971 61 D 4.4512 9.8298 119.9798 55.5334 38.4312 174.9770 62 G 3.9908 8.9759 105.5221 45.4378 0.0000 174.2380 63 K 4.7234 7.8938 118.6983 54.5841 36.0325 174.4911 64 C 5.2697 8.7402 120.5521 55.8637 39.6207 173.2619 65 K 4.8114 8.8273 121.5633 54.6069 36.2195 175.0282 66 N 5.0106 8.7330 120.7320 52.5596 39.4244 174.6845 67 V 4.2537 8.5201 124.2845 61.0336 34.7486 173.6216 68 H 4.9574 8.3571 124.7264 54.1551 32.5670 172.7687 69 V 4.2057 8.1181 124.5013 60.8501 34.8980 173.6589 70 K 4.9040 8.6009 128.5907 54.8921 33.5517 174.9035 71 A 5.1768 9.2433 129.7953 50.6689 22.0080 175.3105 72 T 5.0532 8.7491 117.8119 61.4142 71.6664 173.6005 73 K 3.6583 8.9851 128.9378 56.2426 33.0115 176.4969 74 Q 4.4034 8.6756 126.2486 54.3431 30.7185 176.6177 75 D 4.3048 8.6455 120.2452 57.4335 40.8878 177.4839 76 D 4.5113 7.9373 115.9493 53.3539 39.6145 177.1547 77 G 3.8096 8.1435 109.5408 45.3571 0.0000 173.7683 78 T 4.3989 7.7247 110.4139 60.8839 71.4233 173.1221 79 Y 4.8896 8.5002 118.6432 56.1011 41.5497 175.5837 80 V 5.0873 8.2285 114.0450 60.0478 35.7866 174.6094 81 A 4.8398 8.7530 122.5078 51.2228 23.1366 174.9869 82 D 5.2890 8.5180 121.2225 53.1404 42.4699 175.9427 83 Y 4.3449 9.1139 122.0835 57.8763 42.0122 173.8397 84 E 3.4199 9.5998 129.2064 57.6842 27.6232 172.5455 85 G 3.8447 7.6881 103.7148 44.0316 0.0000 171.6562 86 Q 5.0880 8.7151 117.7752 54.2025 31.5522 174.7807 87 N 5.6425 9.1118 120.5083 51.5430 42.4884 173.8377 88 V 4.9804 8.8837 116.1711 59.6027 35.0462 174.7520 89 F 5.5251 9.1204 120.1300 54.9203 42.1819 173.4805 90 K 4.8869 8.9909 120.5773 54.6959 35.1470 175.1715 91 I 4.5909 8.7256 128.4920 61.1285 37.4538 175.9300 92 V 4.1953 8.6278 119.7152 62.8131 32.7517 176.8043 93 S 4.7302 7.9044 114.8168 56.8777 65.8669 172.6668 94 L 5.1786 8.4856 128.3503 53.9265 45.0239 174.9261 95 S 4.6473 8.9077 119.2981 57.1279 66.0609 174.6196 96 R 3.9595 8.6839 118.3758 58.6310 29.8890 177.5876 97 T 4.3569 8.0817 106.6978 61.3280 70.7944 173.0594 98 H 5.7808 7.8987 116.9995 54.2968 32.8515 172.3707 99 L 5.1759 9.5049 121.4180 53.7899 45.4053 174.8241 100 V 5.1474 9.0602 126.3450 61.2148 34.3325 174.1508 101 A 5.3852 9.0426 128.2011 50.8131 23.2312 174.3087 102 H 5.5390 9.0249 114.4677 53.8477 32.1498 172.1386 103 N 5.5064 9.2884 118.4370 52.0590 42.9943 172.8052 104 I 4.7845 8.7915 126.0083 59.6946 39.7064 173.8955 105 N 5.3339 8.9828 126.8130 51.9172 41.1866 173.5569 106 V 4.8741 8.8149 126.4190 61.1645 34.3057 175.3212 107 D 5.0852 8.8411 128.4964 51.7774 40.8743 177.2295 108 K 4.0310 8.3904 117.4690 59.4139 32.5526 177.2467 109 H 4.6435 8.3284 115.5014 55.3809 28.7492 175.9498 110 G 3.9690 8.2390 107.8471 45.4316 0.0000 174.0576 111 Q 4.4027 8.3316 120.2222 55.7134 29.9109 175.1527 112 T 5.1503 8.4670 113.3663 60.3856 71.4201 173.8120 113 T 4.6320 8.6431 119.5437 61.8062 72.7057 172.2775 114 E 5.0190 8.8895 126.7449 54.5809 31.9123 174.5993 115 L 5.4484 8.9492 125.9385 53.1075 46.1572 175.4969 116 T 5.2101 8.7222 113.3694 60.9067 72.4002 173.2575 *117 E 4.9894 9.1208 119.4739 55.0562 34.9049 174.5093 118 L 4.9441 7.8106 124.2685 52.8836 44.8977 175.2401 119 F 5.2693 9.0560 124.1803 55.8582 43.0652 174.5384 120 V 5.1256 9.1089 114.1974 59.6075 36.1324 175.6528 121 K 4.0960 8.4152 122.0878 55.9231 33.7090 176.1942 121B G 3.9329 7.7366 107.9081 43.5176 0.0000 173.9087 122 L 3.9981 8.4385 120.2580 57.2656 42.0703 176.0482 123 N 4.9817 7.7760 112.6778 51.1772 42.0000 173.4354 124 V 4.1544 8.0213 118.8355 61.5152 32.1860 175.8452 125 E 4.2731 8.9199 127.7372 55.9449 31.3989 177.5116 126 D 4.4651 8.7713 122.0486 57.9392 41.0076 179.2667 127 E 4.0096 8.1876 118.3198 59.3455 29.4743 178.8219 128 D 4.3427 8.0090 118.3914 57.5423 40.9759 178.6716 129 L 4.2753 8.0258 119.4992 57.9231 41.7027 179.5281 130 E 4.1435 8.5604 117.6116 59.4983 29.5117 179.4074 131 K 4.0392 8.0842 119.0781 58.9577 32.0910 179.1264 132 F 3.9977 8.2637 120.9193 61.2437 39.3808 177.3573 133 W 3.8063 8.3964 118.5960 59.1632 28.7156 178.5827 134 K 3.9308 8.2563 119.8282 59.3915 31.7114 178.5591 135 L 3.8405 7.7230 120.5563 58.4951 41.9900 179.0595 136 T 3.5768 7.4511 115.5905 66.4418 68.2668 176.2721 137 E 3.9320 8.1527 121.1846 59.4409 29.4687 178.6281 138 D 4.4024 8.0909 118.0311 56.8633 40.9065 177.9146 139 K 4.3571 7.8417 116.4589 55.6848 32.1907 177.0559 140 G 3.8109 7.7911 107.1291 46.4849 0.0000 173.5869 141 I 4.2651 7.4996 120.5351 59.3649 38.4282 175.9700 142 D 4.6279 8.4157 125.0595 53.5780 41.6867 177.3334 143 K 4.1622 8.7437 123.3106 59.4637 32.3464 178.8571 144 K 4.2221 8.0843 116.0752 58.6459 32.9572 176.8813 145 N 4.9549 8.2969 117.8787 53.0335 38.9794 173.6157 146 V 4.8852 7.5015 118.3406 61.1641 34.0083 174.8049 147 V 4.2448 8.7968 127.9770 61.5294 33.6992 173.9963 148 N 5.0134 8.6135 126.4011 52.4206 39.9131 174.4822 149 F 4.0568 8.6447 124.8373 57.8553 38.9982 176.8844 150 L 4.3327 8.3291 118.9717 55.7630 41.8836 177.4073 151 E 4.1352 7.8228 119.1771 55.6133 29.9476 176.3585 152 N 4.2643 8.7480 120.7316 54.1220 39.2510 174.7526 153 E 3.8758 8.6178 125.8227 57.2067 30.1100 175.7872 154 D 4.4092 8.1935 117.2009 55.4378 38.6829 173.5068 155 C 4.4425 8.0061 115.6064 55.9786 41.1474 172.5586 156 P 4.5370 0.0000 0.0000 63.1528 32.2551 175.9751 157 H 4.9230 8.2906 117.0257 54.6630 29.1741 172.5942 *158 P 4.4583 0.0000 0.0000 62.2585 30.6696 177.9323 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 11 S 8.19 4.64 0.00 4.25 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 12 E 8.07 4.07 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 13 L 8.51 4.27 0.00 0.85 1.32 0.31 0.84 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 14 S 7.82 4.86 0.00 4.01 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 15 G 7.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 5.44 0.00 2.20 2.12 0.00 3.28 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 17 W 8.09 4.56 0.00 3.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.86 5.20 0.00 1.94 2.09 0.00 2.80 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 19 T 8.62 3.84 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 -0.36 0.00 0.00 20 V 8.13 3.85 1.71 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 0.24 0.00 0.00 0.74 0.00 0.00 21 Y 6.55 5.74 0.00 1.43 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 0.00 0.00 0.00 22 I 8.60 4.90 2.08 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.20 0.98 0.00 0.00 23 G 9.16 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 24 S 8.52 5.32 0.00 3.85 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 25 T 8.78 4.04 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 1.18 0.00 0.00 26 N 8.16 4.82 0.00 2.71 2.71 0.00 0.00 7.02 7.40 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 27 P 0.00 4.35 0.00 2.23 2.11 0.00 3.67 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 2.12 2.30 0.00 28 E 8.34 4.08 0.00 2.25 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 2.35 2.31 0.00 29 K 8.20 3.96 0.00 1.99 2.08 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.54 7.81 30 I 7.56 4.60 1.98 0.00 0.00 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 1.43 0.72 1.07 0.00 0.00 31 Q 7.57 4.25 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 32 E 8.49 4.11 0.00 1.95 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 2.32 2.39 0.00 33 N 8.52 4.89 0.00 2.97 3.02 0.00 0.00 7.25 7.65 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 34 G 8.28 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 0.00 0.00 0.00 35 P 0.00 4.23 0.00 1.85 2.06 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 36 F 8.45 4.57 0.00 3.25 3.20 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 37 R 7.66 4.56 0.00 2.00 2.06 0.00 3.47 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 38 T 7.72 4.81 3.79 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 0.75 0.00 0.00 39 Y 9.58 4.51 0.00 3.14 3.17 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 F 9.18 4.91 0.00 3.05 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 41 R 9.34 4.73 0.00 2.00 1.99 0.00 3.53 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 42 E 8.03 5.32 0.00 2.04 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 2.36 2.53 0.00 43 L 9.02 5.04 0.00 1.44 0.71 -0.27 -0.45 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 44 V 8.26 4.59 2.14 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 1.13 0.00 0.00 1.03 0.00 0.00 45 F 9.14 4.91 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.07 4.76 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.84 4.49 0.00 2.87 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 48 E 8.38 4.09 0.00 1.95 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 0.00 2.30 2.34 0.00 49 K 8.29 4.26 0.00 1.97 1.86 0.00 2.06 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.38 7.81 50 G 7.70 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 51 T 8.00 5.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 52 V 8.64 4.41 1.67 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 -0.49 0.00 0.00 0.47 0.00 0.00 53 D 8.78 5.11 0.00 2.70 2.38 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 54 F 9.10 4.63 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 5.09 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.36 5.41 0.00 3.32 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 57 S 9.46 5.48 0.00 4.12 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 58 V 8.65 5.06 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 0.91 0.00 0.00 1.23 0.00 0.00 59 K 8.85 5.01 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.47 7.81 60 R 8.84 4.74 0.00 1.86 1.76 0.00 3.35 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 61 D 9.83 4.45 0.00 2.80 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 62 G 8.98 3.99 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 0.00 0.00 0.00 63 K 7.89 4.72 0.00 1.74 1.67 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.42 7.81 64 C 8.74 5.27 0.00 2.84 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 65 K 8.83 4.81 0.00 1.65 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.54 7.81 66 N 8.73 5.01 0.00 2.58 2.74 0.00 0.00 6.72 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 67 V 8.52 4.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.84 0.00 0.00 68 H 8.36 4.96 0.00 2.93 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.12 4.21 1.92 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 0.64 0.00 0.00 0.80 0.00 0.00 70 K 8.60 4.90 0.00 1.82 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.59 7.81 71 A 9.24 5.18 1.63 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 72 T 8.75 5.05 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 1.20 0.00 0.00 73 K 8.99 3.66 0.00 1.26 1.44 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.05 0.39 7.81 74 Q 8.68 4.40 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 75 D 8.65 4.30 0.00 2.62 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 76 D 7.94 4.51 0.00 2.73 2.73 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 77 G 8.14 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.72 4.40 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 1.18 0.00 0.00 79 Y 8.50 4.89 0.00 1.43 2.14 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 80 V 8.23 5.09 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 0.68 0.00 0.00 0.99 0.00 0.00 81 A 8.75 4.84 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 82 D 8.52 5.29 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.11 4.34 0.00 2.82 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 84 E 9.60 3.42 0.00 1.37 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 1.47 1.47 0.00 85 G 7.69 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 86 Q 8.72 5.09 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 87 N 9.11 5.64 0.00 2.92 2.83 0.00 0.00 6.47 6.96 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 88 V 8.88 4.98 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 0.80 0.00 0.00 0.97 0.00 0.00 89 F 9.12 5.53 0.00 3.17 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 90 K 8.99 4.89 0.00 1.83 1.41 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 91 I 8.73 4.59 2.04 0.00 0.00 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 1.60 0.91 1.07 0.00 0.00 92 V 8.63 4.20 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 0.74 0.00 0.00 1.06 0.00 0.00 93 S 7.90 4.73 0.00 3.97 3.81 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 0.00 0.00 0.00 94 L 8.49 5.18 0.00 1.65 1.49 0.86 0.83 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 95 S 8.91 4.65 0.00 4.03 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 96 R 8.68 3.96 0.00 1.79 1.99 0.00 3.13 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 97 T 8.08 4.36 4.21 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 1.16 0.00 0.00 98 H 7.90 5.78 0.00 3.34 3.67 0.00 5.41 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.50 5.18 0.00 1.44 1.60 0.49 1.23 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 0.00 100 V 9.06 5.15 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 1.15 0.00 0.00 1.10 0.00 0.00 101 A 9.04 5.39 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.02 5.54 0.00 3.26 3.36 0.00 5.21 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.29 5.51 0.00 2.71 2.56 0.00 0.00 7.09 8.13 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 0.00 104 I 8.79 4.78 1.90 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 1.15 1.11 0.91 0.00 0.00 105 N 8.98 5.33 0.00 2.61 2.44 0.00 0.00 6.17 8.10 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 0.00 106 V 8.81 4.87 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 0.95 0.00 0.00 0.94 0.00 0.00 107 D 8.84 5.09 0.00 2.96 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 0.00 108 K 8.39 4.03 0.00 1.80 1.91 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 1.06 7.81 109 H 8.33 4.64 0.00 3.28 3.34 0.00 5.75 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 0.00 110 G 8.24 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 0.00 111 Q 8.33 4.40 0.00 2.38 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 112 T 8.47 5.15 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 1.21 0.00 0.00 113 T 8.64 4.63 4.07 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 1.10 0.00 0.00 114 E 8.89 5.02 0.00 2.01 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 2.18 2.44 0.00 115 L 8.95 5.45 0.00 1.47 1.45 0.29 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.72 5.21 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 1.08 0.00 0.00 *117 E 9.12 4.99 0.00 1.64 1.77 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 2.14 2.13 0.00 118 L 7.81 4.94 0.00 1.21 0.72 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.06 5.27 0.00 3.09 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 0.00 120 V 9.11 5.13 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 0.84 0.00 0.00 0.92 0.00 0.00 121 K 8.42 4.10 0.00 0.79 0.74 0.00 1.37 0.00 0.00 0.62 0.00 0.00 2.49 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.89 0.74 7.81 121B G 7.74 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 0.00 122 L 8.44 4.00 0.00 1.57 1.69 0.90 0.85 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 0.00 123 N 7.78 4.98 0.00 2.70 2.69 0.00 0.00 6.74 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 0.00 124 V 8.02 4.15 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 0.84 0.00 0.00 0.88 0.00 0.00 125 E 8.92 4.27 0.00 2.19 1.86 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 2.34 2.36 0.00 126 D 8.77 4.47 0.00 2.71 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 0.00 127 E 8.19 4.01 0.00 2.01 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 2.42 2.42 0.00 128 D 8.01 4.34 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.03 4.28 0.00 2.05 2.08 1.06 1.28 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 0.00 130 E 8.56 4.14 0.00 2.32 2.29 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 2.34 2.66 0.00 131 K 8.08 4.04 0.00 2.07 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.63 7.81 132 F 8.26 4.00 0.00 2.98 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 0.00 133 W 8.40 3.81 0.00 3.57 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 0.00 134 K 8.26 3.93 0.00 1.94 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.45 7.81 135 L 7.72 3.84 0.00 1.81 1.67 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.45 3.58 3.86 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 0.94 0.00 0.00 137 E 8.15 3.93 0.00 2.16 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 2.30 2.35 0.00 138 D 8.09 4.40 0.00 2.78 2.67 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 0.00 139 K 7.84 4.36 0.00 1.64 1.76 0.00 2.00 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.48 7.81 140 G 7.79 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.50 4.27 1.93 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 1.26 0.58 0.93 0.00 0.00 142 D 8.42 4.63 0.00 2.76 2.60 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 0.00 143 K 8.74 4.16 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.40 7.81 144 K 8.08 4.22 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 145 N 8.30 4.95 0.00 2.95 2.99 0.00 0.00 6.27 7.23 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 0.00 146 V 7.50 4.89 2.38 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 0.71 0.00 0.00 0.96 0.00 0.00 147 V 8.80 4.24 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 0.12 0.00 0.00 0.93 0.00 0.00 148 N 8.61 5.01 0.00 3.16 2.76 0.00 0.00 7.23 7.71 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 0.00 149 F 8.64 4.06 0.00 2.95 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 0.00 150 L 8.33 4.33 0.00 1.78 1.74 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.82 4.14 0.00 2.03 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 2.35 2.33 0.00 152 N 8.75 4.26 0.00 2.69 2.85 0.00 0.00 7.00 7.65 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 0.00 153 E 8.62 3.88 0.00 1.16 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 154 D 8.19 4.41 0.00 3.06 2.73 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 0.00 155 C 8.01 4.44 0.00 2.84 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 0.00 156 P 0.00 4.54 0.00 2.14 2.02 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 157 H 8.29 4.92 0.00 3.11 3.20 0.00 5.70 0.00 0.00 0.00 0.00 5.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.46 0.00 2.09 1.81 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.