NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4278 8.4345 117.0991 58.2657 63.9295 173.6091 10 D 4.6965 8.3705 114.8151 54.6396 40.2388 172.2546 11 K 4.1067 8.7005 119.2257 56.3942 33.4917 174.5172 12 P 4.7277 0.0000 0.0000 62.9076 32.2616 175.7960 13 V 5.0714 8.7699 123.2386 60.5297 35.4079 173.7635 14 A 4.8462 8.7571 122.7750 51.2899 23.2544 175.3689 15 H 4.7839 9.4422 122.8841 55.5768 32.4250 172.6062 16 V 4.8347 8.5141 119.2498 59.6929 35.1367 175.2602 17 V 5.3711 8.8383 115.2901 59.5080 35.7590 174.2966 18 A 4.6810 8.6395 123.3235 50.9819 19.5915 176.6143 19 N 4.2315 9.3717 122.8589 53.1086 39.6505 173.7918 20 P 3.4793 0.0000 0.0000 63.9189 31.3086 176.7734 21 Q 4.2105 8.3778 117.5970 56.3728 30.1534 176.1559 22 A 4.2541 7.5472 127.1226 50.3752 17.3177 177.3132 23 E 4.2652 7.9256 116.3262 57.3228 30.3729 179.3901 24 G 3.9629 9.8826 114.0449 45.3840 0.0000 173.0623 25 Q 4.5766 8.1365 116.1299 53.3493 32.2889 179.3103 26 L 4.2204 7.9652 119.9384 54.3010 40.8810 173.5976 27 Q 4.2173 7.5806 122.0575 53.7335 30.0130 174.2932 28 W 5.1405 8.5927 127.5542 57.3519 29.9155 176.0344 29 S 4.8514 9.9208 118.0867 57.1723 65.5794 174.0063 30 N 4.9025 8.9502 121.8209 52.8604 38.3707 174.9564 31 R 4.3584 7.4865 119.7831 55.5686 29.6048 174.9402 32 R 4.6227 7.3052 115.9096 54.2596 33.9890 173.6535 33 A 4.0723 8.4287 123.5697 53.3143 18.9549 177.1562 34 N 4.1623 8.8046 117.5796 54.7697 36.0968 173.9895 35 A 5.1413 7.8998 116.8772 50.3648 22.5898 176.5588 36 L 4.7493 8.7898 119.1068 53.2819 46.3947 175.5309 37 L 4.6116 8.0071 116.5240 54.6954 43.4091 172.6219 38 A 4.6696 8.6480 125.7403 49.3613 23.7758 174.9109 39 N 3.9246 9.8053 112.9368 54.6771 35.8819 175.4688 40 G 4.0322 8.3826 106.2439 45.2536 0.0000 174.5313 41 V 3.8832 7.4951 119.6134 63.0756 32.0259 175.2048 42 E 4.7285 8.7397 126.2738 54.4729 33.7175 175.0466 43 L 4.9042 8.4977 124.1775 53.7997 42.8695 175.3294 44 R 4.5314 8.7293 125.8887 55.1972 32.3541 176.3642 45 D 4.1496 9.4480 123.4777 55.6747 38.2663 173.3461 46 N 4.4263 8.6098 111.3931 54.5851 37.7577 172.7490 47 Q 4.9681 7.8834 113.7272 53.6111 33.4954 174.0710 48 L 4.9018 8.7382 120.9383 53.5279 43.8710 175.7634 49 V 4.5950 8.5971 123.8041 61.1484 33.9438 174.6652 50 V 3.9570 8.4177 128.8632 61.3667 31.6485 175.0762 51 P 4.3320 0.0000 0.0000 64.8846 31.5761 175.5806 52 I 4.6785 7.4582 116.3028 58.7450 41.4026 173.3187 53 E 4.6105 9.4133 122.9337 54.9887 30.6886 175.9164 54 G 4.0872 7.7862 110.1989 43.7997 0.0000 171.7209 55 L 5.0883 7.8681 119.6625 54.1045 43.3969 176.4306 56 F 5.1700 9.3359 120.6770 55.7226 43.9648 173.3200 57 L 5.1145 9.2074 124.7149 54.1520 43.5125 175.2185 58 I 4.9908 9.0030 127.7802 60.0299 40.4782 174.3821 59 Y 5.6131 7.2211 122.3402 57.3508 41.9116 172.9968 60 S 5.3053 7.6936 113.5831 58.5001 65.5277 175.4581 61 Q 5.5376 7.9549 125.0774 53.8507 32.9029 173.9590 62 V 4.6399 8.1076 116.4015 59.4620 36.6504 173.6878 63 L 4.9128 8.2263 125.4785 53.3856 44.5192 174.8369 64 F 5.3722 9.1226 125.3217 56.1346 41.6458 174.8766 65 K 4.2847 8.5197 122.7735 54.4007 35.9202 175.6575 66 G 3.1000 5.3927 110.9365 47.2190 0.0000 171.1151 67 Q 4.5055 8.5803 113.8484 56.4805 30.7236 174.5724 68 G 4.1744 8.9904 109.6470 45.7503 0.0000 172.8949 69 C 5.0813 8.1692 115.0189 54.2157 40.5316 173.6279 70 P 4.3791 0.0000 0.0000 63.6231 28.8247 176.2205 71 S 3.3395 8.4440 117.1488 58.0755 62.8570 170.7937 72 T 3.2234 8.2941 117.6162 63.7649 64.7128 170.8074 73 H 4.3048 8.2158 121.5906 55.5157 29.1869 175.5529 74 V 3.9632 8.3474 125.1427 62.4815 32.8482 174.3380 75 L 4.6900 8.4540 127.6581 53.2761 43.3135 175.5960 76 L 4.6020 9.3650 125.6502 53.2383 43.1018 175.8011 77 T 5.1848 9.1720 113.9961 60.3260 72.8134 172.7133 78 H 5.5651 8.8789 122.3135 55.4270 33.5129 172.2168 79 T 5.0103 9.3417 115.7049 60.0131 72.8289 172.9773 80 I 5.2204 8.2667 124.1130 59.3977 39.2600 175.0122 81 S 5.0880 8.2247 123.1367 57.0926 65.4352 173.4011 82 R 4.8686 8.7997 122.6452 54.7940 33.1784 174.6181 83 I 4.9220 8.7530 126.4465 58.9761 38.6358 174.9507 84 A 4.6431 8.2088 129.2875 52.7963 19.9301 177.9802 85 V 3.3841 9.0176 119.5069 63.5462 31.6455 174.1586 86 S 4.5568 8.7373 112.3894 58.8953 66.0660 174.7733 *87 Y 3.3355 7.8304 122.4556 57.7765 34.1256 171.6185 88 Q 4.6957 7.6360 128.4823 55.1139 27.6845 178.0215 89 T 4.3849 8.2958 112.5778 62.3044 68.4269 173.6672 90 K 4.5234 8.4271 129.3721 55.9951 33.0368 176.1823 91 V 4.5396 8.4314 120.4223 59.3944 35.6291 174.6844 92 N 4.7636 8.7888 122.5824 53.4998 38.4281 174.9837 93 L 4.2594 8.8429 125.1260 56.6940 42.8319 177.6306 94 L 4.9417 7.5350 117.0820 53.1214 46.1433 175.8114 95 S 5.1499 8.5559 116.3182 57.2150 65.7466 173.0474 96 A 4.8294 8.9200 127.4677 50.4756 22.5738 174.8312 97 I 5.0721 8.3938 121.2255 59.7884 40.5631 175.1314 98 K 4.7286 9.0508 122.8134 55.0898 37.1172 175.2219 99 S 5.2565 8.5940 117.7896 55.0847 64.1327 172.2971 100 P 3.8105 0.0000 0.0000 64.0096 31.4490 177.1659 101 C 4.7242 7.4653 115.4586 54.9223 42.8651 172.5069 102 Q 3.9555 8.7415 126.7412 58.0250 30.3333 176.1103 103 R 4.4833 7.6354 116.4113 57.5391 31.6148 177.7624 104 E 5.9800 9.1756 121.4235 59.5898 30.5797 173.0413 105 T 3.6560 6.8682 106.0974 58.6224 70.5687 171.4354 106 P 4.2085 0.0000 0.0000 64.2845 31.9180 172.2872 107 E 3.7810 9.2384 123.7694 55.0037 30.5380 174.0647 108 G 3.8315 8.5072 110.2259 43.7155 0.0000 171.8254 109 A 4.3362 8.3508 130.5708 54.6360 20.0045 177.1455 110 E 4.9221 8.7846 110.8738 57.6132 32.6838 172.6545 111 A 3.8179 8.8951 120.7691 52.8108 15.9708 178.1251 112 K 4.1827 7.9745 118.6761 57.7611 33.3208 174.4587 113 P 4.6719 0.0000 0.0000 62.6337 31.9682 175.6489 114 W 5.1120 7.9427 119.4012 54.8840 31.4554 173.7836 115 Y 5.3423 8.9587 118.5023 56.5301 40.9544 175.0047 116 E 4.8268 9.8208 123.2427 54.2944 33.0684 173.0590 117 P 5.2717 0.0000 0.0000 62.1811 33.5059 175.5565 118 I 4.8718 8.5872 121.0253 59.9886 41.5616 173.5252 119 Y 5.2736 8.9129 127.0122 55.7893 41.5885 174.3802 120 L 4.9368 8.3180 125.9934 53.1175 45.7003 175.7816 121 G 4.6151 8.5225 106.8965 45.7149 0.0000 172.5065 122 G 4.3702 9.4537 109.6816 45.5480 0.0000 172.1969 123 V 4.8926 8.1993 120.9312 61.5777 32.4779 175.0433 124 F 4.9143 9.2165 125.5609 55.7747 43.9782 173.5156 125 Q 4.9052 8.8951 121.9251 55.1385 29.7779 174.5875 126 L 4.9318 9.6579 127.3826 53.0574 45.0794 175.8395 127 E 4.7747 9.1660 122.3694 54.4292 31.9143 175.7888 128 K 4.0473 8.6071 123.1610 58.6426 32.3668 177.0948 129 G 3.9823 9.3073 115.5128 44.9422 0.0000 173.2910 130 D 4.7023 7.8827 119.8645 54.6013 42.3052 175.5370 131 R 5.0317 8.6824 119.5524 54.4823 33.6045 174.6801 132 L 5.2456 8.8945 123.4332 53.2626 44.6631 175.7159 133 S 4.9698 8.9745 117.3400 56.6308 67.2928 172.8587 134 A 4.6954 8.2856 124.8334 50.1898 20.5007 175.2182 135 E 5.0017 9.6025 121.6889 54.9286 34.1578 175.1363 136 I 5.3917 8.3128 113.2783 58.7942 40.2686 174.8540 137 N 4.5304 8.6237 120.9609 54.1999 38.3479 175.6881 138 R 4.7045 7.8022 118.7925 53.6086 29.9797 174.0315 139 P 4.4080 0.0000 0.0000 64.5258 32.0699 178.8829 140 D 4.4048 7.8712 117.6389 55.2743 39.9556 176.1917 141 Y 5.0266 7.8488 116.6338 57.0707 39.5937 175.4547 142 L 3.9061 7.2857 121.4792 55.6845 42.6241 176.2322 143 D 4.5946 8.9462 127.3020 52.1494 41.4482 175.0203 144 F 4.9499 7.5758 117.4651 56.0009 38.6973 177.3924 145 A 4.0775 7.9414 125.2998 54.7224 17.2501 177.7222 146 E 4.8876 7.7147 114.0348 54.1739 33.1951 175.6310 147 S 4.4200 8.4520 116.4039 59.8637 63.4035 175.4752 148 G 4.1825 8.9857 110.9573 45.9521 0.0000 174.7013 149 Q 4.2695 7.6554 118.7584 57.9809 29.0633 176.6766 150 V 4.7875 7.7078 116.6449 61.2834 34.3317 174.2860 151 Y 5.4023 8.8985 124.2215 56.8224 42.0031 173.0583 152 F 5.1211 8.5504 121.2175 57.3481 43.3549 173.1137 153 G 3.8517 7.6604 111.1357 45.8036 0.0000 171.6979 154 I 5.5983 8.0655 112.4455 59.4506 41.5601 173.8294 155 I 5.2346 8.3127 122.0654 59.3018 41.5847 173.7384 156 A 3.3800 8.6378 134.0319 51.8640 18.9879 178.2039 *157 L 3.9854 8.0560 121.9797 54.4403 41.7259 174.1433 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 9 S 8.43 4.43 0.00 3.65 3.76 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 10 D 8.37 4.70 0.00 2.77 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 11 K 8.70 4.11 0.00 1.73 1.79 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 12 P 0.00 4.73 0.00 2.33 2.19 0.00 3.57 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 13 V 8.77 5.07 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 0.89 0.00 0.00 1.03 0.00 0.00 14 A 8.76 4.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.44 4.78 0.00 3.25 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.51 4.83 2.36 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 0.86 0.00 0.00 0.78 0.00 0.00 17 V 8.84 5.37 2.27 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 0.88 0.00 0.00 1.09 0.00 0.00 18 A 8.64 4.68 1.12 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 19 N 9.37 4.23 0.00 2.75 2.69 0.00 0.00 6.81 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 20 P 0.00 3.48 0.00 2.13 2.18 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 21 Q 8.38 4.21 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.45 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 22 A 7.55 4.25 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 23 E 7.93 4.27 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 24 G 9.88 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 25 Q 8.14 4.58 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 26 L 7.97 4.22 0.00 1.30 1.33 -0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.58 4.22 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 28 W 8.59 5.14 0.00 3.51 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 29 S 9.92 4.85 0.00 3.83 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 30 N 8.95 4.90 0.00 2.86 2.90 0.00 0.00 6.12 7.67 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 31 R 7.49 4.36 0.00 1.78 1.97 0.00 3.14 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 32 R 7.31 4.62 0.00 1.73 1.80 0.00 3.46 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 33 A 8.43 4.07 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 34 N 8.80 4.16 0.00 2.88 2.87 0.00 0.00 6.73 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 35 A 7.90 5.14 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 36 L 8.79 4.75 0.00 1.60 1.51 0.93 0.53 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 37 L 8.01 4.61 0.00 1.55 1.50 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.65 4.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.81 3.92 0.00 3.06 2.98 0.00 0.00 7.41 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.38 4.03 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 0.00 0.00 0.00 41 V 7.50 3.88 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 0.66 0.00 0.00 0.95 0.00 0.00 42 E 8.74 4.73 0.00 1.86 1.76 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 2.19 2.41 0.00 43 L 8.50 4.90 0.00 1.64 1.62 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.73 4.53 0.00 1.86 1.79 0.00 3.33 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 45 D 9.45 4.15 0.00 2.84 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 46 N 8.61 4.43 0.00 2.89 2.97 0.00 0.00 7.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.88 4.97 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 48 L 8.74 4.90 0.00 1.40 1.33 -0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.60 4.60 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 0.90 0.00 0.00 0.91 0.00 0.00 50 V 8.42 3.96 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 0.56 0.00 0.00 0.54 0.00 0.00 51 P 0.00 4.33 0.00 2.25 2.30 0.00 3.66 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 2.11 2.00 0.00 52 I 7.46 4.68 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.09 0.00 0.00 53 E 9.41 4.61 0.00 2.01 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 2.30 2.27 0.00 54 G 7.79 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.87 5.09 0.00 1.53 1.58 0.90 1.11 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 56 F 9.34 5.17 0.00 3.01 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 57 L 9.21 5.11 0.00 1.86 1.71 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.00 4.99 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.89 0.00 0.00 59 Y 7.22 5.61 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.69 5.31 0.00 4.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.95 5.54 0.00 1.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.69 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 62 V 8.11 4.64 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.59 0.00 0.00 63 L 8.23 4.91 0.00 1.87 1.64 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.12 5.37 0.00 3.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.52 4.28 0.00 1.36 1.18 0.00 1.32 0.00 0.00 1.02 0.00 0.00 2.21 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.73 7.81 66 G 5.39 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 0.00 0.00 0.00 67 Q 8.58 4.51 0.00 2.17 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 5.74 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 68 G 8.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.17 5.08 0.00 2.94 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 70 P 0.00 4.38 0.00 2.10 2.07 0.00 3.95 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 71 S 8.44 3.34 0.00 3.95 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 72 T 8.29 3.22 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 1.21 0.00 0.00 73 H 8.22 4.30 0.00 3.09 3.18 0.00 5.71 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 74 V 8.35 3.96 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 1.11 0.00 0.00 1.22 0.00 0.00 75 L 8.45 4.69 0.00 1.52 1.53 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.36 4.60 0.00 1.40 1.05 nan 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.17 5.18 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 1.20 0.00 0.00 78 H 8.88 5.57 0.00 3.39 3.24 0.00 5.54 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.34 5.01 4.20 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 1.21 0.00 0.00 80 I 8.27 5.22 1.74 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 0.92 0.96 0.86 0.00 0.00 81 S 8.22 5.09 0.00 3.93 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 82 R 8.80 4.87 0.00 1.69 1.65 0.00 2.97 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 83 I 8.75 4.92 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 1.15 0.63 0.92 0.00 0.00 84 A 8.21 4.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.02 3.38 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 0.80 0.00 0.00 0.93 0.00 0.00 86 S 8.74 4.56 0.00 3.85 3.74 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 *87 Y 7.83 3.34 0.00 2.52 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 0.00 0.00 0.00 88 Q 7.64 4.70 0.00 2.09 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 89 T 8.30 4.38 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 90 K 8.43 4.52 0.00 1.80 1.69 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.44 7.81 91 V 8.43 4.54 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 0.77 0.00 0.00 0.91 0.00 0.00 92 N 8.79 4.76 0.00 2.60 2.75 0.00 0.00 7.04 7.85 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 93 L 8.84 4.26 0.00 1.21 0.66 0.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.54 4.94 0.00 1.49 1.52 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.56 5.15 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 96 A 8.92 4.83 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 97 I 8.39 5.07 1.86 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 1.35 0.73 0.90 0.00 0.00 98 K 9.05 4.73 0.00 1.57 1.53 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 99 S 8.59 5.26 0.00 3.65 3.71 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 0.00 100 P 0.00 3.81 0.00 0.49 0.60 0.00 3.64 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 1.22 1.02 0.00 101 C 7.47 4.72 0.00 2.80 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 0.00 102 Q 8.74 3.96 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 103 R 7.64 4.48 0.00 1.87 1.74 0.00 3.45 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 1.51 1.18 0.00 104 E 9.18 5.98 0.00 2.05 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 1.99 1.60 0.00 105 T 6.87 3.66 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 0.00 106 P 0.00 4.21 0.00 2.20 2.10 0.00 3.90 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 1.99 1.96 0.00 107 E 9.24 3.78 0.00 2.18 1.87 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 2.12 1.86 0.00 108 G 8.51 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 0.00 109 A 8.35 4.34 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 0.00 110 E 8.78 4.92 0.00 2.00 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 0.00 1.98 1.65 0.00 111 A 8.90 3.82 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 0.00 112 K 7.97 4.18 0.00 1.95 2.05 0.00 1.57 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.54 7.81 113 P 0.00 4.67 0.00 1.97 1.98 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 114 W 7.94 5.11 0.00 3.28 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 0.00 115 Y 8.96 5.34 0.00 2.86 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 0.00 116 E 9.82 4.83 0.00 2.19 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 2.39 2.23 0.00 117 P 0.00 5.27 0.00 2.18 2.15 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 118 I 8.59 4.87 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 1.09 0.00 0.00 119 Y 8.91 5.27 0.00 3.01 2.87 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 0.00 120 L 8.32 4.94 0.00 1.43 1.41 0.95 0.35 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 0.00 121 G 8.52 4.62 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 0.00 122 G 9.45 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 0.00 0.00 0.00 0.00 123 V 8.20 4.89 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 0.80 0.00 0.00 0.96 0.00 0.00 124 F 9.22 4.91 0.00 3.11 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 0.00 125 Q 8.90 4.91 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 126 L 9.66 4.93 0.00 1.68 1.47 0.69 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.17 4.77 0.00 2.05 1.87 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 2.31 2.27 0.00 128 K 8.61 4.05 0.00 1.74 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 129 G 9.31 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 0.00 0.00 0.00 130 D 7.88 4.70 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.68 5.03 0.00 1.72 1.77 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 132 L 8.89 5.25 0.00 1.64 1.71 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.97 4.97 0.00 3.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.29 4.70 0.11 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 0.00 0.00 135 E 9.60 5.00 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 136 I 8.31 5.39 2.15 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.27 0.99 0.00 0.00 137 N 8.62 4.53 0.00 2.88 3.01 0.00 0.00 6.71 7.81 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 0.00 138 R 7.80 4.70 0.00 2.05 1.91 0.00 3.26 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 139 P 0.00 4.41 0.00 2.37 2.26 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 140 D 7.87 4.40 0.00 2.63 2.69 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 0.00 0.00 0.00 0.00 141 Y 7.85 5.03 0.00 3.49 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.29 3.91 0.00 1.62 1.06 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.95 4.59 0.00 2.54 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 0.00 144 F 7.58 4.95 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.94 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.71 4.89 0.00 2.33 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 2.25 2.29 0.00 147 S 8.45 4.42 0.00 3.91 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 0.00 148 G 8.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.66 4.27 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 150 V 7.71 4.79 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 151 Y 8.90 5.40 0.00 2.93 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 0.00 152 F 8.55 5.12 0.00 1.51 1.45 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 0.00 153 G 7.66 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 0.00 154 I 8.07 5.60 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.06 0.49 0.00 0.00 155 I 8.31 5.23 1.98 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 1.30 1.43 1.02 0.00 0.00 156 A 8.64 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 8.06 3.99 0.00 1.33 1.44 0.94 1.08 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 * Residues marked with a * may have inaccurate shift predictions.