NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3075 8.1233 122.4745 51.1371 21.4574 175.8180 24 F 4.9875 8.2927 114.6878 55.2746 41.3287 173.0401 25 I 4.4776 8.6959 127.1712 60.7495 41.6207 176.0703 26 G 3.8538 9.0119 112.3358 45.9984 0.0000 174.5536 27 V 3.6194 7.5196 120.7196 65.1070 32.0375 175.4624 28 D 5.0291 7.7129 121.0648 52.1883 39.2202 175.1355 29 S 4.5617 7.3462 117.0350 55.8731 67.4284 175.1650 30 A 3.9844 8.4874 122.9480 55.2760 18.2435 179.6793 31 A 3.4672 7.4333 118.9485 54.8965 18.3441 179.9265 32 G 4.0083 7.8369 105.6034 47.4959 0.0000 175.6969 33 N 4.4488 8.4617 119.0886 56.0175 38.4253 177.6870 34 V 3.7682 7.5635 119.7667 65.9373 31.5773 178.1557 35 V 3.6477 7.6290 117.6074 66.0397 31.2817 178.0406 36 K 3.9678 8.5017 118.4502 59.7519 31.9520 179.3438 37 Q 4.0396 8.3197 118.2579 58.8213 28.6215 178.6997 38 F 4.4097 8.6516 121.9392 61.7418 39.5171 176.8157 39 H 3.9995 8.5185 115.8248 58.8477 28.2884 177.7028 40 A 3.9545 8.1418 121.2327 55.0387 18.4710 179.0501 41 A 4.1257 8.4974 119.7134 55.4308 18.2224 179.9316 42 L 3.9530 7.6084 116.0665 57.8431 41.7725 180.0474 43 Q 4.3143 7.7074 116.0408 56.1116 29.0452 177.0921 *45 G 3.7201 7.8554 106.3866 45.1082 0.0000 174.0623 46 N 4.5985 8.2809 119.8420 52.3158 38.7927 174.9685 47 E 4.0040 8.6480 129.4611 58.9198 30.0451 178.1024 48 A 4.0529 8.0811 120.6587 55.2029 18.2818 179.4524 49 I 3.8733 8.0675 117.4393 63.9886 37.5190 178.3972 50 V 4.0697 7.6861 119.4795 66.4552 31.2290 178.4801 51 R 4.0907 8.1320 117.4220 59.1495 29.6193 178.9369 52 Q 4.1174 7.8650 116.7616 58.3482 28.9927 177.9574 53 S 4.3647 8.1595 116.1946 58.9087 63.2684 173.8761 54 L 4.8104 6.5972 120.4194 52.3342 43.6264 176.3867 55 A 4.1378 8.4444 125.4235 51.7095 19.2356 178.5105 56 A 4.0126 8.7111 123.1990 54.8901 18.5377 179.1493 57 N 5.1109 7.8455 110.7295 52.4076 37.7846 175.2128 58 V 3.8406 7.2908 118.3202 62.8702 32.1029 174.9230 59 Q 4.8179 8.6576 124.4471 54.4329 31.5703 174.0279 60 I 4.5616 8.6609 126.7481 59.6752 40.5408 173.8291 61 Y 5.1901 8.6549 125.5969 56.5504 40.0913 174.6607 62 E 5.0204 9.4630 121.6874 56.0153 34.1803 175.8763 63 G 3.6619 9.8985 115.5308 46.8369 0.0000 174.4788 64 G 3.8717 8.5517 105.5434 45.0766 0.0000 174.2307 65 K 4.6686 7.8886 119.0833 54.0902 35.1543 175.4391 66 V 5.0466 8.1724 120.3214 59.9471 33.9683 174.7961 67 E 4.8850 8.9770 122.7629 54.9972 31.4213 176.7049 68 R 4.6721 8.9504 119.5727 55.9774 31.6700 176.2840 69 S 4.8011 7.5282 112.4391 55.5637 67.2925 174.4893 70 L 4.0307 8.6522 124.2861 58.7838 41.5915 179.1646 71 T 3.9127 7.9824 113.6769 66.8663 68.5609 175.8118 72 E 4.1604 8.3258 120.0818 59.5477 29.0120 178.6310 73 Y 4.2642 8.1954 119.1777 60.9943 38.7092 178.1670 74 A 3.9116 8.4465 120.2756 54.9666 18.4317 178.7484 75 N 4.4450 7.6563 115.1658 56.7183 39.2616 174.4304 76 H 4.9251 7.9823 116.7563 58.0164 35.7019 175.9792 77 H 4.1845 8.2263 116.1741 56.7903 29.2856 176.5053 *79 L 4.2353 8.0261 118.8740 54.2609 43.5867 178.2914 80 A 4.1890 8.2029 121.3105 55.4574 18.5891 180.1565 81 D 4.5150 8.5340 113.4979 55.0530 40.1122 178.4047 *83 A 4.2869 8.1362 124.2261 52.4931 20.4661 179.3522 84 Y 3.5335 8.1463 115.7458 60.5646 39.0674 177.4041 85 L 3.9234 8.0862 119.1408 56.5976 42.0776 179.0100 86 K 3.8090 7.5962 119.0673 59.1064 32.0473 177.2829 87 G 4.0439 7.9158 103.6801 45.9156 0.0000 173.1130 88 L 5.0795 7.7323 119.8477 52.7582 44.9658 175.8154 89 T 4.5772 8.6768 111.6463 59.9995 71.4029 173.1563 90 I 4.7838 8.3179 125.2568 59.9123 39.8043 174.9448 91 T 4.5360 8.8177 125.1482 60.8388 70.6170 172.3370 92 P 4.7602 0.0000 0.0000 62.7255 31.3592 176.2561 93 K 4.7563 9.0214 123.6275 57.6266 34.3072 176.4824 94 E 3.6691 7.6102 115.2796 55.2528 33.1288 174.1619 95 H 5.0595 8.4964 120.8150 55.6093 33.8688 172.1716 96 Q 5.0436 9.2155 124.8308 54.0900 32.3199 174.4263 97 I 4.8786 8.7909 124.4135 59.7609 39.8684 175.0381 98 T 4.5771 8.8030 123.6998 61.7270 71.2629 173.0304 99 I 4.7487 8.3811 126.9502 59.9152 39.5348 175.6496 100 T 4.4402 9.1876 123.9412 62.1509 70.7276 174.9009 101 G 3.8343 8.1905 119.2672 47.2692 0.0000 172.3203 102 D 4.8280 8.6611 122.9093 53.8883 41.1742 174.8380 103 I 5.2525 7.9321 120.0081 59.5345 40.2287 174.5686 104 A 5.1649 9.4072 127.8983 50.0947 22.3861 174.9198 105 I 4.8007 8.6342 121.4515 59.4867 40.6099 174.4521 106 S 5.2177 9.2285 122.8371 56.5588 64.9586 172.6415 107 T 5.2539 9.0186 117.6378 59.9754 71.0129 173.1110 108 S 5.1729 9.2520 120.7268 56.4726 66.6929 173.4166 109 I 4.8850 8.6342 121.3852 59.8646 40.5420 174.8160 110 S 5.1007 9.0018 121.2859 57.0637 67.9065 172.3505 111 H 5.1879 9.3021 122.1099 54.7790 31.5045 173.2207 112 A 5.0111 9.1653 128.9391 50.7888 20.7649 175.7424 113 Q 4.8357 9.7811 121.2791 52.5647 32.8747 175.2369 114 G 4.2609 7.7846 110.5938 45.6678 0.0000 171.2069 115 E 5.1512 8.0116 121.6607 55.0212 33.0400 174.5571 116 Y 4.6931 9.0781 119.9372 57.8422 42.1333 174.9273 117 K 3.5672 9.1042 126.8558 57.4127 29.7296 176.2126 118 G 3.8499 8.3393 106.6631 46.1985 0.0000 174.5032 119 K 4.6521 7.8053 124.0260 53.2410 34.2209 181.1572 120 S 4.6720 8.6614 118.8628 57.8935 63.4338 173.1573 121 I 4.5404 9.0522 127.7769 59.7429 40.1132 174.6432 122 D 5.1806 8.6833 126.3010 52.8352 42.4466 174.5683 123 S 4.3327 9.1565 129.3542 58.1084 70.0800 175.8535 *125 T 4.1446 8.3577 110.1443 61.2185 70.4527 170.6167 *127 E 4.8333 8.4223 120.3910 56.9711 31.2472 175.1719 128 T 5.0821 8.6959 123.2455 61.7659 71.4926 173.0986 129 L 5.1138 9.1048 126.3780 52.8099 45.6085 175.4882 130 V 4.7655 8.4197 122.7548 61.2078 33.7403 174.4272 131 L 5.4978 9.0537 127.3979 52.8524 45.7270 175.3405 132 I 4.9870 8.6277 115.4810 58.9664 40.6595 174.6727 133 K 3.6561 8.2058 127.4512 55.2836 32.1759 176.6088 134 Q 4.1870 8.4455 127.9394 54.6920 29.9818 177.1005 135 A 3.9156 8.3884 121.0680 55.3628 18.3010 178.0835 136 D 4.5133 8.0187 113.0632 53.0898 39.6531 177.2254 137 G 3.7338 7.9151 107.0725 46.1345 0.0000 173.6452 138 R 4.5914 7.8994 119.0559 54.1477 32.3128 175.7157 139 W 4.9721 8.7325 123.0375 56.4631 30.2894 175.9334 140 K 4.8472 9.1067 122.6232 54.5753 36.4112 175.5652 141 I 4.4830 8.7674 125.6485 61.5493 37.7793 176.5622 142 T 4.3414 9.3220 116.7959 62.1487 71.2933 173.6505 143 H 5.1715 7.6831 121.5445 54.6743 33.8344 172.0155 144 V 4.4010 8.1545 124.5412 61.0992 34.7628 173.3788 145 H 5.2377 8.9271 127.7187 54.2486 32.3344 172.0149 146 W 5.6328 9.0084 126.0810 55.0929 31.7295 176.3370 147 S 4.2350 8.6198 117.0675 58.8931 62.2217 173.9044 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 23 A 8.12 4.31 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.29 4.99 0.00 3.03 2.97 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 25 I 8.70 4.48 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 1.24 0.65 0.90 0.00 0.00 26 G 9.01 3.85 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 0.00 0.00 0.00 27 V 7.52 3.62 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 1.01 0.00 0.00 0.88 0.00 0.00 28 D 7.71 5.03 0.00 2.95 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 29 S 7.35 4.56 0.00 3.91 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 30 A 8.49 3.98 1.55 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 0.00 0.00 31 A 7.43 3.47 0.12 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 32 G 7.84 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 33 N 8.46 4.45 0.00 2.91 2.91 0.00 0.00 6.61 8.33 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 34 V 7.56 3.77 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 1.11 0.00 0.00 1.15 0.00 0.00 35 V 7.63 3.65 2.25 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 1.05 0.00 0.00 0.93 0.00 0.00 36 K 8.50 3.97 0.00 2.02 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.65 7.81 37 Q 8.32 4.04 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 38 F 8.65 4.41 0.00 3.12 3.38 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 39 H 8.52 4.00 0.00 3.36 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.14 3.95 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 41 A 8.50 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.95 0.00 1.52 1.58 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.71 4.31 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 *45 G 7.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.28 4.60 0.00 2.78 2.78 0.00 0.00 6.87 8.00 0.00 0.00 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 E 8.65 4.00 0.00 2.10 1.95 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 2.41 2.41 0.00 48 A 8.08 4.05 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 49 I 8.07 3.87 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 1.04 0.00 0.00 50 V 7.69 4.07 2.41 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 1.44 0.00 0.00 1.20 0.00 0.00 51 R 8.13 4.09 0.00 2.11 2.02 0.00 3.22 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 52 Q 7.87 4.12 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 53 S 8.16 4.36 0.00 4.12 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 54 L 6.60 4.81 0.00 1.62 1.45 0.95 0.03 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 55 A 8.44 4.14 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 56 A 8.71 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 57 N 7.85 5.11 0.00 2.81 2.88 0.00 0.00 6.02 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 58 V 7.29 3.84 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 0.57 0.00 0.00 0.71 0.00 0.00 59 Q 8.66 4.82 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 60 I 8.66 4.56 1.98 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.33 0.61 0.00 0.00 61 Y 8.65 5.19 0.00 2.68 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 62 E 9.46 5.02 0.00 2.37 1.99 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 2.25 2.40 0.00 63 G 9.90 3.66 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 0.00 64 G 8.55 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 0.00 0.00 0.00 65 K 7.89 4.67 0.00 1.94 1.67 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 8.17 5.05 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 0.78 0.00 0.00 1.16 0.00 0.00 67 E 8.98 4.89 0.00 2.19 1.99 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 2.42 2.41 0.00 68 R 8.95 4.67 0.00 1.78 1.94 0.00 3.18 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 69 S 7.53 4.80 0.00 4.15 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 70 L 8.65 4.03 0.00 2.01 1.84 1.07 1.01 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 71 T 7.98 3.91 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 1.24 0.00 0.00 72 E 8.33 4.16 0.00 2.26 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 2.38 2.37 0.00 73 Y 8.20 4.26 0.00 3.04 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 74 A 8.45 3.91 1.33 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 0.00 0.00 0.00 75 N 7.66 4.44 0.00 2.87 3.04 0.00 0.00 6.89 8.74 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 76 H 7.98 4.93 0.00 3.19 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.23 4.18 0.00 3.36 3.41 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 8.03 4.24 0.00 1.85 1.76 0.91 0.83 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 80 A 8.20 4.19 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 81 D 8.53 4.51 0.00 2.71 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 *83 A 8.14 4.29 1.47 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 84 Y 8.15 3.53 0.00 2.54 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 85 L 8.09 3.92 0.00 1.69 1.59 0.85 0.55 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 86 K 7.60 3.81 0.00 1.99 1.95 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.27 7.81 87 G 7.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.73 5.08 0.00 1.32 1.39 0.41 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.68 4.58 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 1.16 0.00 0.00 90 I 8.32 4.78 1.81 0.00 0.00 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 1.25 0.84 0.84 0.00 0.00 91 T 8.82 4.54 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 1.25 0.00 0.00 92 P 0.00 4.76 0.00 2.23 2.27 0.00 3.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 93 K 9.02 4.76 0.00 1.74 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.52 7.81 94 E 7.61 3.67 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 95 H 8.50 5.06 0.00 3.07 3.16 0.00 5.54 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.22 5.04 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 97 I 8.79 4.88 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.70 0.00 0.00 98 T 8.80 4.58 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 1.20 0.00 0.00 99 I 8.38 4.75 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.42 1.16 0.00 0.00 100 T 9.19 4.44 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 1.23 0.00 0.00 101 G 8.19 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 0.00 102 D 8.66 4.83 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.93 5.25 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 1.00 0.00 0.00 104 A 9.41 5.16 0.62 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 0.00 0.00 105 I 8.63 4.80 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 1.10 0.99 0.89 0.00 0.00 106 S 9.23 5.22 0.00 3.83 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 0.00 107 T 9.02 5.25 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 0.00 108 S 9.25 5.17 0.00 3.78 3.58 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 0.00 109 I 8.63 4.88 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 1.22 0.69 0.95 0.00 0.00 110 S 9.00 5.10 0.00 3.70 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 0.00 111 H 9.30 5.19 0.00 3.14 3.16 0.00 5.59 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 0.00 112 A 9.17 5.01 1.20 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 0.00 0.00 113 Q 9.78 4.84 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 114 G 7.78 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 0.00 0.00 0.00 0.00 115 E 8.01 5.15 0.00 2.27 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 2.16 1.84 0.00 116 Y 9.08 4.69 0.00 2.78 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 0.00 117 K 9.10 3.57 0.00 1.55 1.60 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.89 0.21 7.81 118 G 8.34 3.85 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 0.00 0.00 0.00 119 K 7.81 4.65 0.00 1.43 1.67 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.23 7.81 120 S 8.66 4.67 0.00 3.88 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 0.00 121 I 9.05 4.54 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.91 0.00 0.00 122 D 8.68 5.18 0.00 2.64 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 0.00 123 S 9.16 4.33 0.00 3.94 3.39 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 *125 T 8.36 4.14 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 1.20 0.00 0.00 *127 E 8.42 4.83 0.00 2.40 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 0.00 2.42 2.64 0.00 128 T 8.70 5.08 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 0.00 129 L 9.10 5.11 0.00 1.48 1.42 1.07 0.49 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 0.00 130 V 8.42 4.77 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 0.95 0.00 0.00 0.89 0.00 0.00 131 L 9.05 5.50 0.00 1.72 1.78 0.82 0.68 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 0.00 132 I 8.63 4.99 1.82 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 1.11 0.84 0.92 0.00 0.00 133 K 8.21 3.66 0.00 0.79 1.06 0.00 1.17 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.88 0.31 7.81 134 Q 8.45 4.19 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 135 A 8.39 3.92 1.23 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 0.00 0.00 0.00 136 D 8.02 4.51 0.00 2.76 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 0.00 137 G 7.92 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 0.00 138 R 7.90 4.59 0.00 2.01 1.85 0.00 3.25 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 139 W 8.73 4.97 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 9.11 4.85 0.00 1.61 1.60 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.76 7.81 141 I 8.77 4.48 1.50 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.62 0.00 0.00 142 T 9.32 4.34 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 1.17 0.00 0.00 143 H 7.68 5.17 0.00 3.03 2.96 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.15 4.40 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 -0.84 0.00 0.00 0.40 0.00 0.00 145 H 8.93 5.24 0.00 3.09 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.01 5.63 0.00 3.49 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 0.00 147 S 8.62 4.23 0.00 3.98 3.85 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 * Residues marked with a * may have inaccurate shift predictions.