NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3032 8.1133 121.1134 56.2371 31.7118 173.8505 3 I 4.7989 8.1740 126.4255 59.0158 39.8742 169.9651 4 V 4.4424 8.4275 124.2644 61.5535 35.8087 172.5495 5 Q 4.6110 8.9489 129.2666 56.0410 29.6734 175.5266 6 A 4.2500 9.3070 129.8099 52.2972 19.3126 176.6608 7 T 4.5157 8.4564 115.1518 59.4469 70.4753 174.5259 8 L 4.0328 8.1846 123.8716 57.6576 41.7324 178.1236 9 E 4.0473 8.0481 116.8545 58.5440 29.7446 177.4422 10 H 4.7227 8.0144 115.4118 56.0073 29.1683 176.4534 11 L 3.9068 7.5554 123.3345 58.2921 41.4866 177.5742 12 D 4.9324 7.7647 115.5370 54.2425 40.9827 176.4082 13 L 4.6020 8.0425 122.5796 55.4295 44.5871 178.1121 14 L 4.0973 8.0385 119.1415 57.6281 42.2706 177.8961 15 A 4.0617 8.1089 121.2539 55.0118 18.2539 177.6642 16 P 4.2552 0.0000 0.0000 66.2294 31.4139 178.2868 17 L 4.2132 8.0032 119.5055 57.2118 42.0756 178.4902 18 F 4.4361 8.5287 121.5777 61.1951 39.2223 177.2824 19 V 3.3659 8.0258 117.8485 65.9424 31.3196 177.8185 20 K 4.1977 7.9508 119.6330 58.9999 32.0504 178.2868 21 Y 3.2117 7.4770 118.7281 60.7627 38.4537 178.5151 22 R 3.4770 7.6010 118.6193 59.0596 29.9119 179.0651 23 E 3.8904 8.3400 118.6936 59.3947 29.2922 178.8555 24 F 3.9988 8.1696 119.6787 61.0506 39.2206 175.6336 25 Y 4.3566 7.4153 114.3467 57.0920 39.8412 175.5442 26 G 3.3846 7.9856 105.5704 45.6918 0.0000 174.4414 *28 L 3.8342 7.3432 115.9785 54.0367 43.1679 177.4468 29 S 4.0557 8.5888 118.5190 59.2141 63.2220 174.4488 30 Y 4.5243 8.0296 125.3926 56.0503 36.8727 174.8803 31 P 4.1035 0.0000 0.0000 65.6230 32.8861 178.6058 32 E 4.0026 8.4205 117.1238 59.8714 29.7557 179.6857 33 S 4.3270 8.2429 114.3504 61.4705 62.8008 176.8245 34 S 4.4820 8.6718 118.7124 61.2571 62.7047 176.5578 35 R 3.9069 7.9282 121.0611 59.4141 30.0393 178.4156 36 K 3.9411 8.5408 119.9205 59.3845 32.2249 178.4043 37 F 4.0081 8.3234 120.7646 61.2711 39.4047 177.0016 38 L 3.8293 8.0241 118.4586 57.8312 41.3968 178.9523 39 E 3.8518 8.1676 119.0654 59.3500 29.3418 179.1351 40 K 3.8890 7.8319 117.8398 59.6089 32.1669 179.3867 41 R 3.7601 7.5007 117.8992 59.2574 29.4113 179.1634 42 L 3.8787 8.3654 118.7654 57.8091 41.4669 179.6137 43 R 3.8433 8.2076 117.8756 59.4941 30.0545 177.5701 44 R 4.1149 8.7401 114.5531 55.7473 30.7989 176.2904 45 K 3.8243 7.2878 116.0558 57.9137 29.6356 174.8933 46 E 4.7866 8.4187 114.7702 56.4967 31.2174 177.3161 47 S 4.8474 7.6865 112.9051 57.2319 66.8237 173.2183 48 V 4.1271 8.4165 118.6350 61.2906 34.1208 174.0194 49 I 4.7107 7.9989 128.3407 59.6096 40.0716 174.0088 50 Y 5.3617 8.6874 123.9019 56.2698 40.7119 174.5439 51 L 4.8461 9.2519 124.3828 53.1090 44.4980 175.4859 52 A 4.6987 8.8024 125.8032 50.7906 20.1791 175.6526 53 L 4.9848 9.0359 122.7933 53.5594 44.2765 176.6266 54 A 4.1545 8.9496 125.3824 51.8742 19.8255 178.1448 55 D 4.2063 8.6291 117.1052 53.2675 45.0026 176.9888 56 E 3.9272 7.8734 117.4838 58.5144 29.1120 175.6697 57 E 4.8184 8.0857 114.6299 54.0554 33.0654 175.7227 58 D 4.3016 9.3903 118.4901 58.2981 40.9098 179.1209 59 R 3.5494 7.3116 113.4031 53.8767 26.4174 173.8341 60 L 4.4016 8.1738 122.2865 55.2339 41.9507 176.1072 61 L 4.2338 9.0884 127.7269 55.8136 43.1528 176.9959 62 G 4.4886 7.6802 105.3443 46.7547 0.0000 171.1272 63 F 5.3870 8.1395 114.3829 56.8483 41.6649 172.5205 64 C 4.9397 8.7371 112.3410 57.4474 33.2084 172.7452 65 Q 4.9346 9.2412 121.0615 54.3954 32.5882 173.7296 66 L 5.3131 8.6911 124.8325 53.2017 45.5581 174.9425 67 Y 5.3462 8.9582 121.0857 55.6742 40.4177 173.4768 68 P 3.8244 0.0000 0.0000 62.8599 32.7422 175.0869 69 S 4.3257 7.5081 115.6824 57.6633 66.6709 171.7014 70 F 4.9994 8.2350 118.8391 56.1378 43.7208 174.3265 71 S 4.4674 9.0091 113.3916 56.8488 64.0720 174.8034 72 S 4.2109 8.9702 124.6412 61.5394 63.1134 176.2409 73 L 4.1556 8.1025 119.2821 58.0742 40.0065 178.5239 74 S 4.3558 8.0898 112.4176 58.5422 63.1908 175.2041 75 L 3.9086 7.8993 118.9306 55.5305 39.5773 173.9618 76 K 4.8449 7.2511 115.8888 54.1450 36.3030 175.8768 77 R 4.3468 8.4861 121.5593 56.6401 31.6558 175.1697 78 V 4.7871 7.7858 121.4721 60.9399 35.5193 173.8533 79 W 5.3170 8.6812 125.2311 54.9861 32.2943 174.7306 80 I 4.6672 8.8536 125.6529 59.5166 38.7639 174.5858 81 L 4.4286 9.2572 130.9761 55.0007 41.9168 175.3775 82 N 4.9938 9.0424 124.7165 54.4192 41.3125 174.3885 83 D 5.2975 7.8393 116.7033 51.4291 45.1624 175.2353 84 I 4.3885 7.8573 122.1128 60.2420 40.8619 173.1308 85 Y 4.5209 8.4326 131.2751 55.9928 42.2459 173.4647 86 V 4.3431 7.6050 126.3279 60.5656 32.9161 175.0361 87 A 3.8656 8.6596 129.7634 52.6314 18.6980 178.0168 88 E 3.6719 8.8381 122.7540 59.3080 30.3295 177.7691 89 E 4.3949 7.7524 117.7132 54.6428 29.2699 176.1025 90 A 4.3117 7.1838 116.6569 50.9106 22.6797 176.9895 91 R 3.9583 8.3386 119.3657 55.9542 29.9437 177.7358 92 R 3.8068 8.6203 120.7032 59.0206 30.0494 178.5853 93 Q 3.8252 8.1934 118.9190 59.6474 28.9852 177.1598 94 L 3.8255 8.0896 120.2612 58.2389 41.7601 178.5358 95 V 3.5649 7.8707 115.9733 66.3587 31.7171 178.4777 96 A 3.9293 8.3982 120.4303 55.1754 18.0960 179.0676 97 D 4.2518 8.5060 116.8852 57.8861 41.3116 178.2493 98 H 4.1643 8.3600 116.7992 58.7403 28.6817 177.8541 99 L 3.9314 8.1687 120.9387 57.7109 41.4012 179.5723 100 L 4.0508 8.2867 119.2501 57.9112 41.6352 179.3742 101 Q 3.9604 8.3140 118.3118 59.3158 28.4549 178.6343 102 H 3.8084 7.8357 117.3485 59.1781 29.9360 176.7107 103 A 3.9644 7.5884 120.9982 55.0509 18.6153 179.0311 104 K 3.9553 8.3121 118.4630 59.5490 32.1261 178.9722 105 Q 4.1454 7.7897 117.3879 56.4908 28.8603 177.5023 *107 A 4.3132 7.9847 123.0527 51.8724 20.8236 180.1219 108 R 3.8656 7.8389 114.1581 59.5496 30.2806 178.9381 109 E 4.0396 8.0128 116.4363 59.2814 29.5128 178.3112 110 T 4.3705 7.8679 105.7065 60.8615 69.4764 173.9014 111 H 4.0289 8.2004 117.9381 57.0383 26.7306 174.8656 112 A 4.5189 7.8700 120.7854 51.4394 19.7003 178.7685 113 V 3.9079 8.5665 122.6299 65.8121 32.9015 175.7788 114 R 4.1772 7.3634 119.3938 55.6239 35.0304 174.3280 *116 R 4.6952 8.6409 115.8391 56.1098 31.7710 174.9614 117 V 4.6379 8.2543 121.0495 60.1253 34.5662 174.6383 118 S 4.7415 8.3736 117.0140 57.1600 66.1778 173.3606 119 T 4.8024 8.0361 116.3169 60.2939 70.7549 173.0518 120 S 4.4429 8.5707 119.6785 57.5853 63.1186 175.4001 121 V 3.6841 8.6197 120.6852 64.7311 31.3562 177.3835 122 D 4.3725 7.9160 118.8716 57.1207 40.9080 175.7917 123 N 4.1895 7.8066 125.1701 53.1480 37.7678 175.3350 124 E 4.0273 8.7308 123.8381 59.0253 29.8269 179.1646 125 V 3.5039 7.6823 111.6656 64.3555 31.7649 177.8629 126 A 3.4798 7.9168 119.7690 55.5580 18.2144 179.2777 127 Q 4.0776 7.6695 115.8300 59.2969 28.7416 179.5840 128 K 4.0365 7.8493 120.2497 58.9762 32.0058 179.0860 129 V 3.4903 7.6812 118.8456 66.3336 31.5396 177.6970 130 Y 4.4165 8.0124 116.6314 61.1947 37.4853 178.4964 131 E 4.5654 8.4969 120.4735 58.2014 29.4476 179.0945 132 S 4.2427 8.2902 114.0268 60.2123 63.1898 175.3811 133 I 4.3515 7.4788 114.2324 60.1443 38.0885 175.2132 134 G 3.7402 7.6647 109.2968 45.8203 0.0000 174.8925 135 F 4.2000 8.6282 120.8307 57.7319 39.3637 174.6288 136 R 4.6690 8.3200 123.0692 53.6792 33.5175 174.8490 137 E 3.9635 8.7653 120.7310 56.2057 29.5535 176.2173 138 D 4.5198 8.7569 126.1176 55.4396 41.4896 176.6831 139 Q 4.5902 8.5630 121.1689 56.7525 29.6853 174.9115 140 E 4.2350 8.3302 118.8752 56.9785 30.6978 175.8571 141 F 4.8255 7.6157 114.6084 55.1479 42.1170 174.5034 142 K 4.3345 8.5853 123.1275 54.7114 33.2801 175.0279 143 N 4.7197 8.4861 124.2691 52.1826 39.6761 174.2883 144 Y 4.9806 8.3719 119.6249 56.4091 41.3335 174.6858 145 T 4.6402 8.2805 114.1735 60.3706 70.4984 173.2547 146 L 4.5360 8.2582 127.9118 52.3636 43.6902 174.1608 147 P 4.2800 0.0000 0.0000 62.9813 31.1864 174.7858 148 I 4.0962 7.7838 123.1092 60.6723 39.7743 177.0042 149 S 4.6669 7.6672 118.2594 56.7078 65.0942 174.6424 150 D 4.7507 8.1091 121.4895 54.2848 41.3769 176.7266 151 E 4.2338 8.4709 120.2931 57.8249 30.5680 174.8670 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 2 R 8.11 4.30 0.00 1.89 2.01 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 3 I 8.17 4.80 1.63 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 0.39 0.00 0.00 4 V 8.43 4.44 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 0.88 0.00 0.00 0.94 0.00 0.00 5 Q 8.95 4.61 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 6 A 9.31 4.25 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 7 T 8.46 4.52 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 1.08 0.00 0.00 8 L 8.18 4.03 0.00 1.76 1.62 0.88 0.86 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 9 E 8.05 4.05 0.00 1.81 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 2.26 2.41 0.00 10 H 8.01 4.72 0.00 3.37 3.24 0.00 5.66 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 11 L 7.56 3.91 0.00 1.69 1.67 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.76 4.93 0.00 2.70 2.68 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 13 L 8.04 4.60 0.00 1.55 1.81 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.04 4.10 0.00 1.68 1.60 0.40 0.90 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 15 A 8.11 4.06 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 16 P 0.00 4.26 0.00 2.33 2.38 0.00 3.65 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 2.28 2.07 0.00 17 L 8.00 4.21 0.00 1.94 1.89 1.28 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.53 4.44 0.00 2.95 3.29 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 19 V 8.03 3.37 2.26 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 1.05 0.00 0.00 1.09 0.00 0.00 20 K 7.95 4.20 0.00 2.05 1.94 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.57 7.81 21 Y 7.48 3.21 0.00 2.41 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 22 R 7.60 3.48 0.00 1.77 1.72 0.00 2.31 0.00 0.00 2.57 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.17 0.00 23 E 8.34 3.89 0.00 2.17 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 2.26 2.45 0.00 24 F 8.17 4.00 0.00 3.07 3.24 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 0.00 25 Y 7.42 4.36 0.00 2.79 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 26 G 7.99 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 0.00 0.00 0.00 *28 L 7.34 3.83 0.00 1.48 1.15 0.83 0.83 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 29 S 8.59 4.06 0.00 3.86 4.13 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 30 Y 8.03 4.52 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 31 P 0.00 4.10 0.00 2.24 2.07 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 32 E 8.42 4.00 0.00 2.09 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 2.46 0.00 33 S 8.24 4.33 0.00 3.81 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 34 S 8.67 4.48 0.00 4.22 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 0.00 35 R 7.93 3.91 0.00 2.06 2.14 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 36 K 8.54 3.94 0.00 1.92 1.95 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.54 7.81 37 F 8.32 4.01 0.00 3.51 3.36 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 38 L 8.02 3.83 0.00 1.77 1.50 0.64 -0.60 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 39 E 8.17 3.85 0.00 2.15 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 2.28 2.34 0.00 40 K 7.83 3.89 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.57 7.81 41 R 7.50 3.76 0.00 1.84 1.93 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 42 L 8.37 3.88 0.00 1.81 1.65 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.21 3.84 0.00 1.87 1.92 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 44 R 8.74 4.11 0.00 1.79 1.93 0.00 3.31 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 45 K 7.29 3.82 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.54 7.81 46 E 8.42 4.79 0.00 1.86 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 2.26 2.21 0.00 47 S 7.69 4.85 0.00 3.52 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 48 V 8.42 4.13 1.59 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 0.29 0.00 0.00 0.70 0.00 0.00 49 I 8.00 4.71 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.81 0.00 0.00 50 Y 8.69 5.36 0.00 2.89 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 51 L 9.25 4.85 0.00 1.49 1.53 0.58 0.78 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 52 A 8.80 4.70 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 53 L 9.04 4.98 0.00 1.48 1.58 0.92 0.56 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 54 A 8.95 4.15 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 55 D 8.63 4.21 0.00 2.70 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 0.00 0.00 0.00 56 E 7.87 3.93 0.00 2.00 1.98 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 2.33 2.35 0.00 57 E 8.09 4.82 0.00 2.20 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 2.18 2.30 0.00 58 D 9.39 4.30 0.00 2.70 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 59 R 7.31 3.55 0.00 1.95 2.02 0.00 3.13 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 60 L 8.17 4.40 0.00 1.66 1.68 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.09 4.23 0.00 1.66 1.67 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.68 4.49 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 0.00 63 F 8.14 5.39 0.00 3.24 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 64 C 8.74 4.94 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 65 Q 9.24 4.93 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 66 L 8.69 5.31 0.00 1.47 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.96 5.35 0.00 2.98 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 68 P 0.00 3.82 0.00 1.61 1.62 0.00 4.08 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 1.96 1.99 0.00 69 S 7.51 4.33 0.00 3.74 3.48 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 70 F 8.24 5.00 0.00 2.87 2.85 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 71 S 9.01 4.47 0.00 3.87 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 72 S 8.97 4.21 0.00 3.92 3.92 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 73 L 8.10 4.16 0.00 1.70 1.80 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.09 4.36 0.00 3.95 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 75 L 7.90 3.91 0.00 1.84 1.78 0.93 0.71 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 76 K 7.25 4.84 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.52 7.81 77 R 8.49 4.35 0.00 1.96 1.79 0.00 2.21 0.00 0.00 2.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.00 78 V 7.79 4.79 1.82 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 0.89 0.00 0.00 0.88 0.00 0.00 79 W 8.68 5.32 0.00 3.20 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 80 I 8.85 4.67 2.03 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 1.14 0.83 1.05 0.00 0.00 81 L 9.26 4.43 0.00 1.64 1.41 1.01 1.11 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 82 N 9.04 4.99 0.00 2.97 3.01 0.00 0.00 7.04 8.06 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 83 D 7.84 5.30 0.00 2.69 1.98 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 84 I 7.86 4.39 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.39 1.04 0.00 0.00 85 Y 8.43 4.52 0.00 2.55 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 0.00 0.00 0.00 86 V 7.60 4.34 1.80 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 0.75 0.00 0.00 0.81 0.00 0.00 87 A 8.66 3.87 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 88 E 8.84 3.67 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 89 E 7.75 4.39 0.00 1.98 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 0.00 2.27 2.35 0.00 90 A 7.18 4.31 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 91 R 8.34 3.96 0.00 1.96 2.08 0.00 2.96 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 92 R 8.62 3.81 0.00 1.84 2.10 0.00 2.84 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 93 Q 8.19 3.83 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 94 L 8.09 3.83 0.00 1.78 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.87 3.56 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 0.98 0.00 0.00 0.91 0.00 0.00 96 A 8.40 3.93 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 97 D 8.51 4.25 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 98 H 8.36 4.16 0.00 3.35 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.17 3.93 0.00 1.86 1.73 0.94 0.66 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 0.00 100 L 8.29 4.05 0.00 1.92 1.84 1.07 1.03 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 0.00 101 Q 8.31 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 102 H 7.84 3.81 0.00 3.16 3.15 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.59 3.96 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 0.00 104 K 8.31 3.96 0.00 1.93 2.01 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.37 1.36 7.81 105 Q 7.79 4.15 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 *107 A 7.98 4.31 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 0.00 108 R 7.84 3.87 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 109 E 8.01 4.04 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 110 T 7.87 4.37 4.48 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 1.34 0.00 0.00 111 H 8.20 4.03 0.00 3.33 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.87 4.52 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 0.00 113 V 8.57 3.91 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 0.86 0.00 0.00 0.99 0.00 0.00 114 R 7.36 4.18 0.00 1.90 1.86 0.00 2.94 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 *116 R 8.64 4.70 0.00 1.86 1.96 0.00 3.01 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 117 V 8.25 4.64 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 -0.54 0.00 0.00 -0.15 0.00 0.00 118 S 8.37 4.74 0.00 3.82 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 0.00 119 T 8.04 4.80 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 1.31 0.00 0.00 120 S 8.57 4.44 0.00 3.99 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 0.00 121 V 8.62 3.68 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 0.79 0.00 0.00 0.95 0.00 0.00 122 D 7.92 4.37 0.00 2.70 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 0.00 123 N 7.81 4.19 0.00 3.06 2.83 0.00 0.00 6.97 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 0.00 124 E 8.73 4.03 0.00 1.97 1.98 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 2.48 2.34 0.00 125 V 7.68 3.50 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 126 A 7.92 3.48 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 0.00 127 Q 7.67 4.08 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 128 K 7.85 4.04 0.00 1.86 1.75 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 129 V 7.68 3.49 1.80 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 0.86 0.00 0.00 0.81 0.00 0.00 130 Y 8.01 4.42 0.00 2.95 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.50 4.57 0.00 2.30 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 0.00 2.62 2.42 0.00 132 S 8.29 4.24 0.00 4.03 4.10 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 0.00 133 I 7.48 4.35 1.92 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.83 0.99 0.00 0.00 134 G 7.66 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 0.00 0.00 0.00 135 F 8.63 4.20 0.00 3.42 3.02 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 0.00 136 R 8.32 4.67 0.00 1.78 1.84 0.00 3.34 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 137 E 8.77 3.96 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 138 D 8.76 4.52 0.00 2.77 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 0.00 139 Q 8.56 4.59 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 140 E 8.33 4.23 0.00 1.50 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 2.15 2.30 0.00 141 F 7.62 4.83 0.00 3.43 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 0.00 142 K 8.59 4.33 0.00 1.59 1.57 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.44 1.12 7.81 143 N 8.49 4.72 0.00 2.69 2.72 0.00 0.00 6.99 7.46 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 0.00 144 Y 8.37 4.98 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.28 4.64 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 1.26 0.00 0.00 146 L 8.26 4.54 0.00 1.58 1.51 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.28 0.00 2.08 2.00 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 148 I 7.78 4.10 1.87 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 1.47 0.85 0.91 0.00 0.00 149 S 7.67 4.67 0.00 3.82 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 0.00 150 D 8.11 4.75 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 0.00 151 E 8.47 4.23 0.00 1.90 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 2.21 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.