NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4787 8.1627 120.3337 55.1508 33.8418 177.3346 17 S 4.0369 8.5931 114.4633 61.3217 62.7563 173.0641 18 G 3.9120 8.4142 108.0602 48.0785 0.0000 174.6042 19 L 4.1553 8.0727 123.0470 57.4818 42.2981 178.7982 20 K 4.1614 8.7284 119.9403 59.4374 31.8398 178.6349 21 K 4.2088 8.2095 117.5635 58.5692 32.0738 178.5042 22 F 4.3758 8.7991 117.2490 58.2192 40.1418 175.4712 23 F 4.9877 8.0114 117.0934 55.0462 38.8959 173.9724 24 P 4.0962 0.0000 0.0000 64.7096 31.6364 177.6239 25 Y 4.8920 7.7028 114.0825 57.3785 39.4088 174.9708 26 S 4.7455 8.0285 114.7018 57.2838 66.8507 174.1066 27 T 4.3124 8.6490 114.4055 62.6735 69.6213 174.7343 28 N 5.1259 7.8000 117.5177 51.2485 42.0040 173.3678 29 V 4.3985 8.3801 114.2044 59.4747 35.3377 175.0576 30 L 4.5230 8.9313 121.9271 54.8958 43.2837 177.0149 31 K 4.8760 9.1604 119.3049 55.1088 33.6716 176.7575 32 G 3.8402 9.3018 118.9416 46.0850 0.0000 174.1343 33 A 4.0703 8.7517 126.6227 53.9552 18.7614 177.8298 34 A 4.0659 8.0918 119.3154 52.7465 18.3118 177.4585 35 A 5.0646 8.5859 127.3212 52.5864 19.6602 176.0345 36 D 4.9322 8.0278 116.3504 54.4457 40.3075 175.0591 37 I 3.9615 7.5941 119.2889 61.0612 38.8955 174.5333 38 A 5.1002 8.0802 129.1092 49.3157 21.3887 177.5957 39 L 3.9703 8.3330 120.2981 57.2769 41.9328 178.0365 40 P 4.3203 0.0000 0.0000 65.5049 31.8074 177.5324 41 S 4.2807 8.2215 114.6817 61.8948 62.7458 176.8863 42 L 4.2179 7.6433 113.7437 55.2859 40.9390 177.1647 43 A 4.0629 8.1129 123.5986 53.1849 18.7261 180.2599 44 G 4.0566 8.8822 110.0367 45.5467 0.0000 173.9854 45 K 4.5944 7.6347 119.3111 56.1292 35.3835 175.6344 46 T 4.7489 8.3633 116.7202 62.4717 70.3917 174.4085 47 V 4.7121 8.5652 125.4328 61.1156 34.6793 173.9884 48 F 5.1733 9.0055 126.9648 55.9711 41.1155 174.8374 49 F 4.5899 9.2351 123.9843 56.6487 40.2742 174.4567 50 Y 5.1959 8.8680 127.2312 56.0466 40.4366 174.6158 51 F 4.7172 9.5020 127.7244 55.9409 40.2036 175.2613 52 S 4.6022 7.9666 117.0740 57.3784 66.2870 171.8703 53 A 4.5139 7.5525 121.5953 50.6180 21.4797 177.7813 54 S 3.3620 8.6288 114.9183 60.2496 63.2417 175.3979 55 W 4.5090 7.4175 116.5267 56.4801 28.1089 175.7076 56 C 4.7146 7.4088 120.2011 57.0740 32.6037 172.2733 57 P 4.2737 0.0000 0.0000 65.4370 31.1322 176.8400 58 P 4.3133 0.0000 0.0000 65.6894 31.1867 178.4597 59 C 4.3393 8.0329 115.1054 63.0234 27.9561 175.9929 60 R 4.1145 8.0566 118.7483 59.2844 29.6834 177.9509 61 A 4.2435 8.0855 119.7152 54.1407 18.8698 178.6497 62 F 4.8905 8.1720 120.5094 60.1401 39.7586 177.5885 63 T 3.8651 8.4492 116.3616 66.4276 68.3791 174.5187 64 P 4.3962 0.0000 0.0000 65.8394 31.0697 178.4770 65 Q 3.9217 8.0004 117.9661 58.7754 28.5605 178.3348 66 L 3.7407 7.1203 120.8098 57.9274 42.0556 178.8935 67 I 3.9180 8.2125 120.4135 64.3984 36.9073 178.1373 68 D 4.3630 8.1478 119.7846 57.3904 40.8240 178.5269 69 F 3.9160 8.5873 121.3797 61.3172 39.3760 176.5729 70 Y 4.5148 8.8245 119.4416 61.0048 38.6203 178.1662 71 K 3.9336 8.3630 117.2108 58.4687 32.1495 178.2136 72 A 4.3502 7.3113 119.2047 52.6790 19.9150 177.0795 73 H 4.5695 7.5887 110.5759 54.8968 31.4186 175.1947 74 A 2.5800 7.5602 124.3149 54.6216 18.5819 180.0493 75 E 3.7559 7.5831 115.0126 59.3166 30.1087 179.0538 76 K 3.7947 7.7970 118.2408 59.4814 32.2882 177.7986 77 K 4.1301 7.7695 114.6372 55.8701 32.2160 176.6268 78 N 4.0266 7.6138 114.6713 53.9465 36.8601 172.1623 79 F 5.5346 8.3114 115.5598 55.4752 41.8438 172.9697 80 E 5.3058 9.8715 119.6841 54.7397 33.9208 173.9597 81 V 4.8270 9.4611 122.3327 61.1689 35.1069 173.7565 82 M 5.0438 8.8976 126.9422 53.3964 35.3700 174.0605 83 L 4.5679 9.1657 129.1394 55.0745 43.7637 175.5143 84 I 4.6694 8.6672 127.3208 59.5032 39.5485 174.3177 85 S 4.8636 8.9262 122.6166 57.4140 63.1452 173.5117 86 W 5.2124 8.9862 126.7238 56.8621 29.5254 176.5333 87 D 4.8960 8.9346 120.8382 54.8422 40.6879 176.3657 88 E 4.6730 8.9019 118.1085 56.8186 30.5712 176.3366 89 S 4.6782 7.4579 113.4774 56.3429 66.8412 174.9572 90 A 3.0431 8.2806 124.6733 54.9718 18.1998 180.0685 91 E 3.9070 7.9640 116.6214 59.6747 29.5952 179.0013 92 D 4.3833 8.1554 118.9199 57.2866 40.9136 178.5358 93 F 4.2508 8.2635 121.3270 61.3208 39.3601 176.5709 94 K 3.9127 8.5164 119.4377 60.2921 31.7130 178.3340 95 D 4.3764 7.9159 117.4773 57.2374 40.4790 178.0116 96 Y 4.3037 8.3170 120.5590 60.9775 38.8336 177.3706 97 Y 3.8920 8.2908 120.4936 60.2000 38.5477 177.1687 98 A 3.7113 7.4711 121.1259 54.7426 18.4295 178.8585 99 K 3.9487 7.1509 113.2413 56.4847 32.7595 176.7020 100 M 3.8555 6.8071 119.8133 52.6361 33.7816 174.2940 101 P 4.2138 0.0000 0.0000 64.2716 32.7457 177.3877 102 W 4.4631 6.2161 116.6507 56.1570 29.3662 174.7929 103 L 5.0757 8.6896 118.1839 54.6466 43.9342 175.4917 104 A 5.0737 8.2845 120.1510 50.4592 22.8712 175.6133 105 L 4.4987 8.5985 125.1309 54.0421 42.8646 175.2166 106 P 4.1812 0.0000 0.0000 63.0217 31.6636 176.6411 107 F 3.5058 8.1792 124.0453 61.0512 39.1993 176.0802 108 E 3.8785 8.1235 116.7143 59.1521 29.9884 177.6458 109 D 4.5358 7.6739 121.3627 52.9118 37.6407 176.6265 110 R 3.7357 7.3432 123.3542 59.2330 30.7317 178.8067 111 K 3.9089 7.8974 117.8381 59.2975 31.8255 179.4477 112 G 3.8873 8.5141 106.5259 48.1332 0.0000 175.7333 113 M 4.3351 8.1546 119.4554 58.0325 31.3508 178.5318 114 E 4.0874 8.6819 120.1881 59.0136 29.4859 179.0378 115 F 4.1761 8.4507 120.8409 61.4947 39.5277 177.3145 116 L 4.1220 8.6167 118.8747 58.0113 41.3392 179.7234 117 T 3.9868 8.4972 115.9072 67.0235 68.4048 176.8781 118 T 3.9334 8.1565 117.7463 66.4865 68.2426 176.9929 119 G 3.1444 7.8326 109.0111 48.4351 0.0000 174.2998 120 F 4.2998 8.3371 116.1929 56.3249 39.3053 174.9899 121 D 4.2100 7.8174 119.6542 54.9445 39.8714 174.4455 122 V 3.5817 8.0062 118.2399 62.8299 31.3893 175.3739 123 K 4.5492 8.2643 126.4835 56.3110 32.9389 176.0966 124 S 4.7698 7.1505 111.5189 57.8590 64.8421 174.8753 125 I 4.4541 7.8879 113.7852 57.8337 40.2269 173.3420 126 P 4.5970 0.0000 0.0000 63.2313 32.4817 175.6474 127 T 4.6151 8.4516 116.7027 61.7673 72.6172 172.6022 128 L 5.2937 8.6393 127.3564 53.3100 44.8334 175.4125 129 V 4.4946 8.9471 126.2659 61.0572 34.6478 174.2014 130 G 3.9578 9.1070 115.4170 44.9603 0.0000 172.9639 131 V 5.1325 8.4191 117.1661 59.1289 36.4627 174.6582 132 E 4.2736 9.1859 125.7341 55.9005 29.6103 176.9334 133 A 4.0017 8.5228 130.5402 55.2908 18.0636 178.3683 134 D 4.5139 8.3613 114.8585 56.1129 41.4078 177.9506 135 S 4.5207 8.0799 111.2249 57.2651 64.3560 174.8979 136 G 4.1203 8.2587 108.5591 46.3252 0.0000 173.2865 137 N 4.6575 7.9835 117.2556 52.2957 39.4006 174.5968 138 I 4.3237 8.1996 122.9157 61.4893 37.2594 175.9585 139 I 3.9262 8.8514 129.5228 63.7838 37.5763 175.8009 140 T 4.8707 7.7686 115.7105 60.5745 70.8106 173.3905 141 T 4.6695 8.8559 119.6610 61.9237 68.5441 173.9820 142 Q 4.5375 8.0771 116.9848 55.9613 29.4781 177.2965 143 A 3.6617 8.2264 123.3328 55.5376 18.5853 180.2924 144 R 3.2945 7.6237 116.9548 59.7320 30.0394 178.8084 145 T 3.6030 7.3756 114.8586 66.8893 68.6274 176.5761 146 M 3.6264 7.5565 119.8767 57.2751 31.4736 178.9064 147 V 3.1762 7.1730 118.5764 65.6347 31.6390 177.9030 148 V 3.9193 6.8608 109.6526 63.8336 31.7040 178.2938 149 K 4.1806 7.5673 117.4679 57.6198 33.2966 176.7854 150 D 5.1505 8.3010 118.5485 51.9991 41.0995 174.8487 151 P 4.7153 0.0000 0.0000 65.7612 31.7336 177.6986 152 E 4.1331 8.3300 116.9214 56.9856 30.0155 176.7777 153 A 4.3089 8.8988 120.8393 52.2510 17.1100 180.1372 154 K 4.0012 8.9467 119.3453 61.3684 32.3009 178.1220 155 D 4.8009 8.6341 116.0230 53.8531 41.0578 176.0784 156 F 2.6593 7.3682 122.1692 57.9206 39.5978 173.2943 157 P 2.9700 0.0000 0.0000 62.8175 32.0546 175.3156 158 W 3.6823 7.4657 114.5415 57.8752 27.1566 174.0114 159 P 4.5174 0.0000 0.0000 63.5450 31.6176 177.6088 160 N 4.8649 8.4049 117.2334 53.7402 38.0459 174.8457 161 V 3.9031 7.4474 118.6976 65.3358 33.6546 175.9937 *162 E 4.1630 7.8475 120.7029 56.1148 30.2635 177.7627 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 16 M 8.16 4.48 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 17 S 8.59 4.04 0.00 3.97 3.98 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 18 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.07 4.16 0.00 2.05 1.82 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.73 4.16 0.00 2.11 2.11 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.61 7.81 21 K 8.21 4.21 0.00 2.10 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.52 7.81 22 F 8.80 4.38 0.00 2.82 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 23 F 8.01 4.99 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 24 P 0.00 4.10 0.00 0.67 1.27 0.00 3.49 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 25 Y 7.70 4.89 0.00 3.23 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 26 S 8.03 4.75 0.00 4.03 3.77 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 27 T 8.65 4.31 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 1.23 0.00 0.00 28 N 7.80 5.13 0.00 2.72 2.74 0.00 0.00 7.00 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 29 V 8.38 4.40 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 0.66 0.00 0.00 0.92 0.00 0.00 30 L 8.93 4.52 0.00 1.76 1.83 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.16 4.88 0.00 1.80 1.74 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 32 G 9.30 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 33 A 8.75 4.07 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 34 A 8.09 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 35 A 8.59 5.06 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 36 D 8.03 4.93 0.00 2.76 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 37 I 7.59 3.96 1.90 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 1.23 1.47 0.98 0.00 0.00 38 A 8.08 5.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.33 3.97 0.00 1.69 1.72 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.32 0.00 2.04 2.14 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 41 S 8.22 4.28 0.00 3.91 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 42 L 7.64 4.22 0.00 1.68 1.71 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.11 4.06 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 44 G 8.88 4.06 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 0.00 0.00 0.00 45 K 7.63 4.59 0.00 2.07 2.24 0.00 1.35 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.54 7.81 46 T 8.36 4.75 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 0.76 0.00 0.00 47 V 8.57 4.71 2.03 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 0.68 0.00 0.00 0.92 0.00 0.00 48 F 9.01 5.17 0.00 2.93 2.72 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 49 F 9.24 4.59 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.87 5.20 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 51 F 9.50 4.72 0.00 2.74 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 0.00 0.00 0.00 0.00 52 S 7.97 4.60 0.00 2.72 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 53 A 7.55 4.51 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 54 S 8.63 3.36 0.00 3.81 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 55 W 7.42 4.51 0.00 3.50 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 56 C 7.41 4.71 0.00 2.36 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 57 P 0.00 4.27 0.00 2.24 2.13 0.00 3.75 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 58 P 0.00 4.31 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 59 C 8.03 4.34 0.00 3.14 3.10 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 0.00 60 R 8.06 4.11 0.00 1.96 2.18 0.00 3.30 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 61 A 8.09 4.24 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 62 F 8.17 4.89 0.00 3.15 3.23 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 63 T 8.45 3.87 4.37 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 1.32 0.00 0.00 64 P 0.00 4.40 0.00 2.24 2.29 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 65 Q 8.00 3.92 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 L 7.12 3.74 0.00 0.46 1.37 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.21 3.92 1.96 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 0.89 0.69 0.81 0.00 0.00 68 D 8.15 4.36 0.00 2.91 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 69 F 8.59 3.92 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.82 4.51 0.00 3.53 3.45 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 0.00 0.00 0.00 0.00 71 K 8.36 3.93 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.76 7.81 72 A 7.31 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.59 4.57 0.00 2.83 2.84 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.56 2.58 0.58 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 0.00 0.00 75 E 7.58 3.76 0.00 1.84 1.84 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 2.29 2.14 0.00 76 K 7.80 3.79 0.00 1.58 1.68 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 77 K 7.77 4.13 0.00 1.60 1.49 0.00 1.94 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.02 7.81 78 N 7.61 4.03 0.00 2.87 2.78 0.00 0.00 6.67 7.31 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 79 F 8.31 5.53 0.00 3.37 3.32 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 80 E 9.87 5.31 0.00 2.21 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 2.30 2.42 0.00 81 V 9.46 4.83 1.61 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 -0.37 0.00 0.00 0.93 0.00 0.00 82 M 8.90 5.04 0.00 1.70 1.67 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 83 L 9.17 4.57 0.00 2.08 1.56 0.95 0.97 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 84 I 8.67 4.67 0.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.66 0.97 0.00 0.00 85 S 8.93 4.86 0.00 4.43 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 0.00 86 W 8.99 5.21 0.00 3.12 3.50 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 87 D 8.93 4.90 0.00 3.01 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 88 E 8.90 4.67 0.00 2.13 2.13 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 2.38 2.36 0.00 89 S 7.46 4.68 0.00 4.03 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 90 A 8.28 3.04 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 91 E 7.96 3.91 0.00 1.99 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 2.40 2.35 0.00 92 D 8.16 4.38 0.00 2.89 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 93 F 8.26 4.25 0.00 2.72 2.81 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 K 8.52 3.91 0.00 2.07 2.06 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.60 7.81 95 D 7.92 4.38 0.00 2.76 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 96 Y 8.32 4.30 0.00 3.04 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 97 Y 8.29 3.89 0.00 2.08 2.45 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 0.00 0.00 0.00 0.00 98 A 7.47 3.71 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 99 K 7.15 3.95 0.00 1.53 1.67 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.51 7.81 100 M 6.81 3.86 0.00 0.59 1.62 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 101 P 0.00 4.21 0.00 2.15 1.93 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.49 0.00 102 W 6.22 4.46 0.00 3.55 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 0.00 103 L 8.69 5.08 0.00 1.93 1.71 1.21 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.28 5.07 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.50 0.00 1.88 1.72 1.23 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.18 0.00 2.23 2.20 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 107 F 8.18 3.51 0.00 1.51 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 0.00 108 E 8.12 3.88 0.00 2.07 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 0.00 2.26 2.27 0.00 109 D 7.67 4.54 0.00 2.83 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 0.00 110 R 7.34 3.74 0.00 1.68 1.81 0.00 2.77 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 111 K 7.90 3.91 0.00 1.18 0.89 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.27 1.29 7.81 112 G 8.51 3.89 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 0.00 0.00 0.00 113 M 8.15 4.34 0.00 2.44 2.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.69 0.00 114 E 8.68 4.09 0.00 2.24 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 0.00 2.33 2.58 0.00 115 F 8.45 4.18 0.00 3.46 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 0.00 116 L 8.62 4.12 0.00 2.10 2.19 1.15 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.50 3.99 4.59 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 1.48 0.00 0.00 118 T 8.16 3.93 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 1.11 0.00 0.00 119 G 7.83 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.34 4.30 0.00 2.95 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 0.00 121 D 7.82 4.21 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.58 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 0.36 0.00 0.00 -0.24 0.00 0.00 123 K 8.26 4.55 0.00 1.80 1.89 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.58 7.81 124 S 7.15 4.77 0.00 3.96 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 0.00 125 I 7.89 4.45 1.53 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 -0.41 0.00 0.00 126 P 0.00 4.60 0.00 2.22 2.20 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 1.85 2.00 0.00 127 T 8.45 4.62 4.06 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 1.08 0.00 0.00 128 L 8.64 5.29 0.00 1.62 1.45 0.76 0.59 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 0.00 129 V 8.95 4.49 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 1.15 0.00 0.00 0.90 0.00 0.00 130 G 9.11 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.42 5.13 2.24 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 1.05 0.00 0.00 1.03 0.00 0.00 132 E 9.19 4.27 0.00 2.01 1.85 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 2.39 2.26 0.00 133 A 8.52 4.00 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 0.00 134 D 8.36 4.51 0.00 2.74 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 0.00 135 S 8.08 4.52 0.00 3.99 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 0.00 136 G 8.26 4.12 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 0.00 137 N 7.98 4.66 0.00 2.82 2.76 0.00 0.00 7.06 7.35 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 0.00 138 I 8.20 4.32 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.57 1.07 0.00 0.00 139 I 8.85 3.93 1.85 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 1.15 1.01 0.78 0.00 0.00 140 T 7.77 4.87 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 1.45 0.00 0.00 141 T 8.86 4.67 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 1.27 0.00 0.00 142 Q 8.08 4.54 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 143 A 8.23 3.66 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 0.00 144 R 7.62 3.29 0.00 1.42 1.66 0.00 2.54 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 145 T 7.38 3.60 4.16 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 0.00 0.00 0.00 1.06 0.00 0.00 146 M 7.56 3.63 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 147 V 7.17 3.18 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 0.55 0.00 0.00 0.19 0.00 0.00 148 V 6.86 3.92 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 0.95 0.00 0.00 0.95 0.00 0.00 149 K 7.57 4.18 0.00 1.54 1.82 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.47 7.81 150 D 8.30 5.15 0.00 2.79 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.72 0.00 2.31 2.31 0.00 4.01 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 152 E 8.33 4.13 0.00 2.06 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 2.33 2.28 0.00 153 A 8.90 4.31 1.10 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 0.00 0.00 0.00 154 K 8.95 4.00 0.00 2.05 1.99 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.53 7.81 155 D 8.63 4.80 0.00 3.23 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 0.00 156 F 7.37 2.66 0.00 2.68 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 0.00 157 P 0.00 2.97 0.00 1.54 0.49 0.00 3.62 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 158 W 7.47 3.68 0.00 3.52 3.25 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 0.00 159 P 0.00 4.52 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 160 N 8.40 4.86 0.00 2.93 2.87 0.00 0.00 6.80 7.55 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 0.00 161 V 7.45 3.90 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 0.84 0.00 0.00 1.04 0.00 0.00 *162 E 7.85 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.