NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 3.8054 7.9127 120.3764 62.3658 32.1872 175.2724 5 E 3.6988 8.8258 129.4665 58.6824 29.9435 177.2129 6 S 4.2526 9.0499 114.3381 61.5681 63.2749 175.7947 7 F 4.6630 7.5532 117.2302 60.3597 38.6659 176.1008 8 E 4.3275 8.1892 118.2866 56.9150 29.7462 176.2851 9 L 4.2142 7.7300 121.9585 54.1727 42.8517 175.8930 10 D 4.6533 8.7369 125.5562 54.0634 40.2659 176.1849 11 H 4.4093 8.8384 124.6205 58.2466 29.0977 177.0735 12 N 4.5443 8.2780 115.9720 55.5229 38.5992 176.1840 13 A 4.3820 7.9535 119.8267 54.0189 19.2273 178.3422 14 V 3.7450 7.7603 108.0885 61.4679 32.1201 176.3986 15 V 4.3818 8.1413 121.6402 60.7437 31.6886 175.1398 16 A 4.4639 9.1444 128.0972 50.7343 19.1893 175.1428 17 P 4.7103 0.0000 0.0000 63.0754 32.9355 174.4717 18 Y 4.7995 7.8079 117.3237 56.5026 41.8463 173.0320 19 V 5.0323 8.9441 120.2617 61.2321 33.9351 174.5529 20 R 4.6764 9.3303 128.3126 54.7752 33.0673 174.0266 21 H 4.6952 9.1710 126.8275 55.9151 29.1111 174.0018 22 C 4.5318 8.6030 120.7651 58.6175 30.8379 174.0239 23 G 4.3147 7.4659 105.8253 45.1137 0.0000 172.4771 24 V 5.0388 8.1042 121.2010 59.9991 34.4998 174.4950 25 H 4.9128 9.3469 120.6191 53.6868 32.8738 172.6276 26 K 4.5990 8.7319 124.2443 56.3882 33.2293 176.1508 27 V 4.2072 8.4601 126.5933 62.2122 34.6267 175.9158 28 G 4.0208 8.7646 116.8180 46.1808 0.0000 173.0710 29 T 4.2844 8.5335 108.2914 62.9593 69.7410 175.3046 30 D 4.7754 8.0398 117.9980 52.5390 40.7197 174.9064 31 G 4.2525 8.1139 107.5947 45.4744 0.0000 173.3735 32 V 5.1535 8.0706 111.7318 59.5452 36.7931 174.5370 33 V 4.8817 8.9561 122.4895 61.3392 34.4107 173.9889 34 N 5.4842 9.0629 124.9216 51.3727 41.6665 173.5695 35 K 5.1200 9.0713 123.5293 54.6427 35.6866 174.6903 36 F 5.2724 9.3708 125.0489 55.7342 42.8689 173.9192 37 D 4.7930 9.6532 123.3787 53.4659 42.2952 175.4755 38 I 4.5932 8.9024 129.6897 60.0098 37.9177 174.2012 39 R 4.4684 8.6492 128.4572 55.4213 30.4572 176.4077 40 F 4.6461 9.4696 126.1083 59.8249 39.8618 176.2030 41 C 4.9587 8.0223 113.9496 57.4075 30.8009 173.8625 42 Q 4.0560 8.6289 123.2939 55.3906 29.1794 174.0006 43 P 4.4072 0.0000 0.0000 64.4577 31.7658 175.5286 44 N 4.3412 9.0011 118.4129 54.2702 36.3520 175.1195 45 K 4.4718 8.1684 115.8092 57.6118 35.1168 176.8203 46 Q 4.5946 7.7870 113.6099 54.4149 32.7809 173.6031 47 A 4.7077 8.0390 119.6063 51.2399 22.2352 175.7071 48 M 4.4343 8.6113 119.5365 54.2555 33.8447 176.5458 49 K 4.2872 8.3111 119.8143 55.3736 33.9504 176.2248 50 P 4.1776 0.0000 0.0000 65.9609 31.2449 178.6491 51 D 4.6091 7.9465 118.4410 56.2476 38.7430 178.5004 52 T 3.8102 7.8201 116.6814 66.3920 68.5530 176.1827 53 I 3.9324 8.0152 123.3287 63.9882 37.1243 177.8981 54 H 4.2361 8.7388 118.9770 59.7464 29.6746 177.5052 55 T 3.8315 8.0630 117.5844 66.5177 68.2897 176.5122 56 L 3.8776 8.2270 122.5716 57.8776 42.0595 178.4457 57 E 3.8373 8.4267 119.3706 59.7222 29.5899 178.5779 58 H 4.1827 8.1923 115.9342 58.9287 28.8002 177.7785 59 L 4.0529 8.2341 120.9953 57.8213 41.4135 179.6706 60 L 3.8975 8.3305 118.9692 57.7086 41.2407 179.4415 61 A 3.9956 8.0612 120.6827 55.1734 18.1128 179.4881 62 F 4.1782 8.3146 118.3449 61.2473 39.6311 176.6817 63 T 4.1731 8.1764 108.6705 63.4736 69.3866 176.7646 64 I 3.8443 8.0210 123.2476 63.3649 38.0511 178.0467 65 R 3.9083 7.4132 116.1339 59.0742 29.6287 178.8282 66 S 4.0547 7.4271 111.8986 61.8900 62.6116 175.8202 67 H 4.3093 8.2192 117.6837 58.2533 28.5884 177.4278 68 A 4.2040 8.1648 123.3350 54.8802 17.9070 179.1387 69 E 4.0327 7.5674 114.8754 59.5854 29.3870 179.4120 70 K 3.9927 7.5927 118.4729 57.8574 32.6124 176.2964 71 Y 4.4322 7.4386 118.8259 56.5290 38.5681 175.2959 72 D 4.4603 8.6913 125.5014 57.2883 41.4994 177.6184 73 H 4.6277 8.1875 112.8971 56.9105 29.3671 174.9691 74 F 5.2600 7.1286 112.7745 56.3807 41.0123 173.2910 75 D 4.9413 9.1529 119.1786 52.4349 45.2861 174.9876 76 I 4.2083 8.4659 122.6421 61.8554 37.1971 175.5780 77 I 4.2574 8.6209 128.3436 62.9042 38.6179 175.7939 78 D 4.5334 7.4992 117.2545 53.5307 44.4879 174.6116 79 I 5.1403 8.5142 123.8490 59.7097 40.6286 174.2388 80 S 5.1444 9.2313 124.9568 56.0489 67.3011 171.8978 81 P 4.3836 0.0000 0.0000 62.4911 32.4404 175.5650 82 M 4.3094 8.3622 121.7274 53.7975 32.8095 178.3478 83 G 3.7958 8.2216 112.7243 45.7692 0.0000 174.0341 *85 Q 4.1105 7.8697 114.0368 55.5130 30.8170 177.0753 86 T 4.5251 7.8354 106.6322 60.5111 69.9094 174.4355 87 G 4.3287 6.4664 108.6022 46.5129 0.0000 170.9909 88 Y 5.0594 7.8715 115.6732 56.4569 42.8116 174.1199 89 Y 4.9902 9.0743 119.4321 56.3649 40.7154 174.5591 90 L 5.2301 9.0641 125.7381 53.4101 44.9433 174.9096 91 V 4.8613 9.2996 127.2418 61.4310 33.6279 174.9300 92 V 5.0683 8.9720 120.5457 59.5938 36.2648 174.4080 93 S 4.7470 9.4732 118.1640 58.6916 63.8271 174.9468 94 G 4.5296 8.9011 112.3518 46.3413 0.0000 172.0592 95 E 4.4504 8.3754 117.8893 55.5052 30.3867 175.9359 96 T 4.4873 7.9847 116.5818 60.5130 70.4375 172.2258 97 T 4.8706 7.7623 112.3468 59.0853 73.1190 174.6107 98 S 3.9754 8.8708 117.5185 61.9441 62.3322 176.8820 99 A 3.9852 7.9784 122.7008 55.2276 18.1327 179.1918 100 E 3.9049 7.9343 117.3861 59.3898 29.6571 178.9652 101 I 3.3479 7.5551 120.0649 64.2166 36.9165 178.5136 102 V 3.6381 7.8457 119.0911 66.0512 31.2752 177.9072 103 D 4.3703 7.7453 117.8668 57.1693 40.6264 178.3672 104 L 4.0782 8.0398 120.8429 58.3608 42.0304 179.0951 105 L 3.8675 8.5791 119.2629 57.5448 41.5027 179.1599 106 E 3.9997 8.5257 119.4912 59.5857 29.1912 178.6943 107 D 4.3738 8.3063 118.9461 57.4467 40.6612 179.0457 108 T 3.6900 8.0135 116.4490 67.0311 68.5667 176.8263 109 M 4.1268 8.3162 120.6041 58.0058 31.7063 178.9975 110 K 4.1724 7.9509 118.3023 59.0355 32.4049 178.5755 111 E 4.1445 7.9057 118.3165 59.0542 29.7971 178.4395 112 A 4.1016 8.3677 121.1483 55.2042 18.1956 179.7621 113 V 3.7824 8.1930 109.9755 63.6804 31.6792 177.7459 114 E 4.2389 7.9897 117.3638 56.8915 29.9961 177.0745 115 I 3.8771 7.0628 119.8356 61.7713 37.5744 175.8792 116 T 4.4479 8.4094 111.9905 61.0981 70.2998 173.4932 117 E 4.3904 7.8351 122.1425 53.8961 31.9363 174.7380 118 I 3.5087 8.3649 127.2779 61.0434 37.4854 173.8573 119 P 3.7369 0.0000 0.0000 63.5169 31.3567 175.9752 120 A 3.5970 8.4664 124.2266 53.2557 16.4775 178.2676 121 A 4.4018 7.2478 120.6588 52.2377 17.6350 176.5350 122 N 5.1415 7.2969 120.0576 50.1582 41.3331 176.2462 123 E 4.0467 8.6927 117.5937 58.9942 29.7285 178.7090 124 K 4.1149 8.1839 119.1103 58.3642 32.4629 177.1091 125 Q 4.5684 8.2237 114.8033 55.5279 29.4793 174.7728 126 C 4.9187 7.8931 117.3913 57.3983 34.5945 174.1609 127 G 3.8020 8.7670 113.3323 47.4082 0.0000 174.1533 128 Q 4.6351 7.7843 117.9883 54.7153 30.3391 173.6775 129 A 4.0596 8.2346 123.7109 55.1616 18.9176 179.5401 130 K 4.1343 7.9814 113.4736 58.5269 32.5928 177.6394 131 L 4.3682 7.9334 123.7432 53.6192 40.2519 174.3566 132 H 4.9842 7.3530 117.2857 54.3469 33.5960 173.7398 133 D 4.5013 8.8377 116.3343 52.2279 43.1272 175.4870 134 L 3.9519 8.2164 126.8042 57.8918 42.1366 178.0340 135 E 4.0961 8.2708 118.0401 59.1874 29.4568 179.3296 136 G 3.6509 8.7991 106.9039 47.2315 0.0000 175.4209 137 A 4.0089 8.0383 123.6715 54.9542 18.2899 179.9626 138 K 4.0346 8.2155 116.8449 59.2664 31.9859 179.5818 139 R 3.9386 8.2791 119.3325 59.6501 30.0082 178.6789 140 L 4.2861 8.0168 118.6724 58.1651 41.5905 179.4908 141 M 4.4049 8.3202 118.8665 58.4397 32.0409 179.0276 142 R 4.1593 8.5668 118.7141 59.0531 30.0143 178.7415 143 F 4.3163 8.5140 120.0830 60.9542 39.6007 176.8357 144 W 3.6484 8.6093 128.0726 60.3943 30.4535 178.0308 145 L 4.1164 8.4494 117.7152 56.9230 41.1358 178.7294 146 S 4.3299 7.5594 112.3079 58.4495 63.6747 174.2350 147 Q 4.1227 6.8912 121.9730 55.1052 29.7998 175.6481 148 D 4.5323 8.0587 120.2232 53.5276 42.9679 177.8061 149 K 3.8076 8.5898 123.7509 59.7187 31.9548 179.3316 150 E 3.9877 8.0572 115.9520 59.4224 29.5741 178.7180 151 E 4.0343 7.8540 118.9940 59.2592 29.6267 178.9820 152 L 3.9305 7.8816 118.9096 57.4196 41.3800 178.8089 153 L 4.5338 7.5282 116.0576 54.5798 42.7695 177.4761 154 K 4.3108 7.9465 120.6088 54.3749 31.1065 177.0562 155 V 2.8714 8.0096 124.5463 64.7615 31.5368 177.3222 156 F 4.8828 7.9736 116.4016 56.8416 39.5103 175.4882 157 G 4.0943 7.9741 115.8333 45.9607 0.0000 174.1111 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 4 V 7.91 3.81 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 -0.02 0.00 0.00 0.67 0.00 0.00 5 E 8.83 3.70 0.00 2.02 1.89 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 2.38 2.45 0.00 6 S 9.05 4.25 0.00 3.93 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 7 F 7.55 4.66 0.00 3.17 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 8 E 8.19 4.33 0.00 2.20 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 2.59 2.43 0.00 9 L 7.73 4.21 0.00 1.72 1.87 0.97 1.10 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 10 D 8.74 4.65 0.00 2.80 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 11 H 8.84 4.41 0.00 3.25 3.45 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.28 4.54 0.00 2.95 2.93 0.00 0.00 6.92 6.64 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 13 A 7.95 4.38 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.76 3.75 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 0.51 0.00 0.00 1.13 0.00 0.00 15 V 8.14 4.38 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 0.81 0.00 0.00 1.04 0.00 0.00 16 A 9.14 4.46 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 17 P 0.00 4.71 0.00 1.28 2.11 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 0.00 18 Y 7.81 4.80 0.00 3.09 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 19 V 8.94 5.03 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 0.88 0.00 0.00 1.24 0.00 0.00 20 R 9.33 4.68 0.00 1.82 1.95 0.00 3.07 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 21 H 9.17 4.70 0.00 3.30 3.19 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.60 4.53 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.47 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 0.00 0.00 0.00 0.00 24 V 8.10 5.04 2.06 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 0.69 0.00 0.00 0.98 0.00 0.00 25 H 9.35 4.91 0.00 2.98 3.16 0.00 5.61 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 26 K 8.73 4.60 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 27 V 8.46 4.21 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 0.91 0.00 0.00 0.95 0.00 0.00 28 G 8.76 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.53 4.28 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 D 8.04 4.78 0.00 2.75 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 31 G 8.11 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 0.00 0.00 0.00 0.00 32 V 8.07 5.15 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 0.81 0.00 0.00 0.98 0.00 0.00 33 V 8.96 4.88 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 1.08 0.00 0.00 0.99 0.00 0.00 34 N 9.06 5.48 0.00 2.73 2.41 0.00 0.00 6.00 7.09 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 35 K 9.07 5.12 0.00 1.72 1.55 0.00 1.43 0.00 0.00 1.23 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.45 7.81 36 F 9.37 5.27 0.00 3.09 2.99 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 37 D 9.65 4.79 0.00 2.88 2.92 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 38 I 8.90 4.59 2.11 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.62 0.00 0.00 39 R 8.65 4.47 0.00 0.67 0.75 0.00 3.02 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 40 F 9.47 4.65 0.00 3.14 3.37 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 41 C 8.02 4.96 0.00 2.87 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 42 Q 8.63 4.06 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.04 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 43 P 0.00 4.41 0.00 2.37 2.17 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 44 N 9.00 4.34 0.00 2.89 2.90 0.00 0.00 6.82 7.61 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 45 K 8.17 4.47 0.00 1.68 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 46 Q 7.79 4.59 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 47 A 8.04 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.61 4.43 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 49 K 8.31 4.29 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 P 0.00 4.18 0.00 2.12 2.08 0.00 3.58 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 2.09 2.13 0.00 51 D 7.95 4.61 0.00 2.92 2.91 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 52 T 7.82 3.81 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 1.20 0.00 0.00 53 I 8.02 3.93 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.80 0.00 0.00 54 H 8.74 4.24 0.00 3.18 3.45 0.00 5.61 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 55 T 8.06 3.83 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 1.16 0.00 0.00 56 L 8.23 3.88 0.00 1.76 1.67 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.43 3.84 0.00 2.44 2.40 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 2.42 2.51 0.00 58 H 8.19 4.18 0.00 3.37 3.28 0.00 5.70 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 59 L 8.23 4.05 0.00 1.76 1.73 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 3.90 0.00 1.46 1.52 0.29 0.85 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 61 A 8.06 4.00 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 8.31 4.18 0.00 3.02 3.30 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 63 T 8.18 4.17 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 1.44 0.00 0.00 64 I 8.02 3.84 1.93 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 1.56 2.24 0.97 0.00 0.00 65 R 7.41 3.91 0.00 1.84 1.91 0.00 3.34 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 66 S 7.43 4.05 0.00 3.67 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 67 H 8.22 4.31 0.00 3.25 3.41 0.00 5.68 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 68 A 8.16 4.20 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 69 E 7.57 4.03 0.00 2.16 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 2.45 2.24 0.00 70 K 7.59 3.99 0.00 1.62 1.76 0.00 1.04 0.00 0.00 1.41 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.30 0.58 7.81 71 Y 7.44 4.43 0.00 2.17 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 0.00 0.00 0.00 0.00 72 D 8.69 4.46 0.00 2.78 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 73 H 8.19 4.63 0.00 3.43 3.66 0.00 5.68 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 74 F 7.13 5.26 0.00 3.22 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 75 D 9.15 4.94 0.00 2.61 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 76 I 8.47 4.21 1.90 0.00 0.00 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 1.39 0.78 0.96 0.00 0.00 77 I 8.62 4.26 1.99 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 1.22 0.85 0.93 0.00 0.00 78 D 7.50 4.53 0.00 2.77 2.48 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 0.00 0.00 0.00 0.00 79 I 8.51 5.14 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.91 0.00 0.00 80 S 9.23 5.14 0.00 3.91 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 81 P 0.00 4.38 0.00 1.76 1.65 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 82 M 8.36 4.31 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 83 G 8.22 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 *85 Q 7.87 4.11 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 86 T 7.84 4.53 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 1.28 0.00 0.00 87 G 6.47 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 0.00 0.00 0.00 88 Y 7.87 5.06 0.00 2.93 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 89 Y 9.07 4.99 0.00 3.04 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 90 L 9.06 5.23 0.00 1.83 1.67 1.02 0.43 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 91 V 9.30 4.86 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 1.01 0.00 0.00 0.96 0.00 0.00 92 V 8.97 5.07 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 0.82 0.00 0.00 1.04 0.00 0.00 93 S 9.47 4.75 0.00 3.92 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 0.00 94 G 8.90 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.38 4.45 0.00 2.06 1.96 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 2.33 2.28 0.00 96 T 7.98 4.49 3.57 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 0.63 0.00 0.00 97 T 7.76 4.87 4.29 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 1.25 0.00 0.00 98 S 8.87 3.98 0.00 3.98 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 0.00 99 A 7.98 3.99 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 0.00 100 E 7.93 3.90 0.00 2.00 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 2.35 2.44 0.00 101 I 7.56 3.35 1.49 0.00 0.00 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 0.64 -0.36 0.55 0.00 0.00 102 V 7.85 3.64 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 1.14 0.00 0.00 1.01 0.00 0.00 103 D 7.75 4.37 0.00 3.05 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 0.00 104 L 8.04 4.08 0.00 1.83 1.76 0.97 0.69 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 0.00 105 L 8.58 3.87 0.00 1.72 1.43 0.68 0.83 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 0.00 106 E 8.53 4.00 0.00 2.18 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 0.00 2.34 2.40 0.00 107 D 8.31 4.37 0.00 2.73 2.66 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 0.00 108 T 8.01 3.69 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 M 8.32 4.13 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 110 K 7.95 4.17 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 111 E 7.91 4.14 0.00 2.14 2.12 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 2.36 2.37 0.00 112 A 8.37 4.10 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 0.00 113 V 8.19 3.78 2.12 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 0.87 0.00 0.00 1.04 0.00 0.00 114 E 7.99 4.24 0.00 2.12 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 2.53 2.51 0.00 115 I 7.06 3.88 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.89 0.00 0.00 116 T 8.41 4.45 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 1.27 0.00 0.00 117 E 7.84 4.39 0.00 1.85 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 2.09 2.24 0.00 118 I 8.36 3.51 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.65 0.00 0.00 119 P 0.00 3.74 0.00 1.40 0.49 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 120 A 8.47 3.60 1.29 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 0.00 0.00 121 A 7.25 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 7.30 5.14 0.00 2.88 2.86 0.00 0.00 6.11 7.66 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 0.00 123 E 8.69 4.05 0.00 1.98 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 2.32 2.30 0.00 124 K 8.18 4.11 0.00 1.72 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 125 Q 8.22 4.57 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.41 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 126 C 7.89 4.92 0.00 3.22 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 0.00 127 G 8.77 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 0.00 128 Q 7.78 4.64 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 129 A 8.23 4.06 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 0.00 130 K 7.98 4.13 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 L 7.93 4.37 0.00 1.83 1.71 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.35 4.98 0.00 3.07 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.84 4.50 0.00 2.75 2.48 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 0.00 0.00 0.00 0.00 134 L 8.22 3.95 0.00 1.75 1.64 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.27 4.10 0.00 2.18 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 2.40 2.32 0.00 136 G 8.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.04 4.01 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 0.00 138 K 8.22 4.03 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 139 R 8.28 3.94 0.00 2.02 2.13 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 140 L 8.02 4.29 0.00 1.95 1.95 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.32 4.40 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 142 R 8.57 4.16 0.00 2.15 2.06 0.00 3.18 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 143 F 8.51 4.32 0.00 3.07 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 0.00 144 W 8.61 3.65 0.00 3.49 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 0.00 145 L 8.45 4.12 0.00 1.67 1.76 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.56 4.33 0.00 4.01 4.11 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 0.00 147 Q 6.89 4.12 0.00 1.50 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 148 D 8.06 4.53 0.00 2.59 2.50 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 0.00 149 K 8.59 3.81 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.47 7.81 150 E 8.06 3.99 0.00 2.09 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 2.23 2.36 0.00 151 E 7.85 4.03 0.00 2.04 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 2.26 0.00 152 L 7.88 3.93 0.00 1.67 1.53 0.41 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.53 4.53 0.00 1.75 1.71 0.92 1.08 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 0.00 154 K 7.95 4.31 0.00 1.89 1.76 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.56 7.81 155 V 8.01 2.87 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 0.53 0.00 0.00 156 F 7.97 4.88 0.00 3.02 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 0.00 157 G 7.97 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 * Residues marked with a * may have inaccurate shift predictions.