NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5769 8.3349 116.8052 58.3790 63.6407 172.7816 3 L 4.5604 8.3569 124.6928 52.7230 45.9723 174.7792 4 D 4.8974 9.7428 124.9715 52.7551 42.1547 175.8345 5 W 4.8931 8.9216 123.3365 56.8138 30.5323 175.7711 6 T 4.7231 8.4362 114.2156 61.4729 69.9589 172.5988 7 C 5.0567 8.7967 126.7064 58.0166 33.9932 172.8664 8 K 4.7888 8.9937 126.0296 54.5531 35.3414 175.5045 9 H 4.2681 8.7025 123.1802 55.6457 30.1887 175.9211 10 H 4.2241 8.7240 122.8975 58.5563 28.4370 177.1758 11 A 3.8410 7.8648 122.2586 54.9023 18.3313 177.8732 12 D 4.6278 8.5301 113.8697 54.8764 41.5024 177.0473 13 L 4.3890 7.0653 119.3413 55.7103 42.4007 177.2149 14 T 4.6308 8.8869 111.8809 59.8553 72.2785 175.6961 15 L 3.9955 8.4049 121.9588 58.2666 41.6348 179.8600 16 K 4.0138 8.1515 117.5212 59.6605 32.0126 178.9784 17 E 4.2605 8.2949 118.5023 59.4894 29.5253 179.0978 18 L 3.9603 8.3594 120.7003 58.3813 42.0985 178.3432 19 Y 3.9952 8.6207 119.6091 60.5235 38.6688 177.7957 20 A 3.9219 8.6383 122.3279 55.2151 18.6182 179.6324 21 L 3.5246 7.8683 118.1370 58.8222 40.2149 179.4870 22 L 3.8412 7.6619 119.7763 57.1819 41.4237 179.0104 23 Q 3.6444 7.8289 119.7063 59.0676 29.0912 178.1053 24 L 3.7382 7.7428 121.2665 58.1620 42.0563 179.1091 25 R 3.5978 7.7251 117.8150 59.4580 29.9412 179.2614 26 T 3.8540 8.0291 115.6255 66.6528 68.4159 176.1004 27 E 3.7874 8.1923 121.5897 59.2919 29.4342 178.5570 28 V 3.7428 7.2999 116.6776 65.1874 31.8043 177.8801 29 F 4.7604 7.3546 118.0852 59.8932 39.0550 177.5175 30 V 4.6241 7.7665 118.4098 65.5116 31.7380 177.6395 31 V 3.7296 8.0819 118.6246 65.1366 31.2129 177.2117 32 E 3.8690 8.4515 120.7188 59.4840 29.4416 178.3571 33 Q 4.2034 8.4610 115.1374 55.3861 29.6535 175.3713 34 K 3.8454 8.0714 117.6452 57.5658 30.1882 176.1962 35 C 4.6301 8.5857 118.1775 57.0950 33.4793 170.8805 36 P 4.6340 0.0000 0.0000 61.2861 29.5312 174.6344 37 Y 4.7965 7.9481 123.0841 55.5064 41.0663 177.3225 38 Q 3.9674 8.1422 121.7652 54.7983 27.4673 174.6146 39 E 3.3499 7.8926 124.2036 58.4960 29.8822 178.0041 40 V 3.9153 7.6652 120.2674 61.9245 29.6807 174.9788 41 D 4.4006 8.1464 122.0798 53.4382 40.1305 178.3382 42 G 3.9100 8.3567 108.0066 45.7795 0.0000 173.7048 43 L 4.5599 8.2360 117.7627 54.5603 42.1308 177.1889 44 D 4.7311 8.0208 119.2966 55.9328 41.3175 176.7391 45 L 4.6625 7.7061 118.4273 54.5168 42.7387 176.1922 46 V 4.5072 7.2687 109.8459 59.6614 36.3872 178.4598 47 G 3.9263 8.1176 110.7566 47.4007 0.0000 174.6563 48 D 5.3738 9.5024 119.0861 53.6430 40.6786 176.1334 49 T 4.3937 8.2423 109.3686 62.3557 70.3351 173.6369 50 H 5.4456 9.6969 121.4955 54.4145 32.7747 172.6195 51 H 5.1976 9.2706 118.1339 54.1502 31.7978 173.4862 52 L 4.9397 8.4139 125.3860 53.7403 44.7817 175.0318 *54 A 3.5693 8.2332 122.3172 51.3067 19.9294 175.4147 55 W 4.9174 8.6535 122.6047 55.0593 32.3694 175.5386 56 R 4.6115 8.6799 123.9595 55.1569 31.5980 174.8446 57 D 4.5748 9.8483 127.9592 55.5227 38.0388 174.9489 58 G 4.1404 8.3169 103.5896 45.6982 0.0000 172.3469 59 Q 4.6124 7.8636 118.8393 53.5984 31.2001 174.5061 60 L 3.4124 7.8081 124.2689 54.3058 42.5679 175.9235 61 L 4.5291 8.2686 125.4442 55.2341 44.1742 176.2865 62 A 5.0276 7.3435 118.1499 50.7857 22.2426 174.7861 63 Y 5.3477 9.4383 121.0177 57.1028 43.0873 173.3500 64 L 5.1417 6.7455 121.2439 55.5251 43.8548 173.4524 65 R 4.9843 9.0253 121.0942 54.5455 33.4853 174.5437 66 L 5.0653 8.9905 125.3662 53.1130 44.4863 175.3451 67 L 4.8600 9.0658 125.7044 53.0489 43.4435 176.6145 68 D 3.4819 8.5766 123.6858 51.9188 40.4159 175.1772 69 P 4.4992 0.0000 0.0000 65.1171 31.1040 178.6970 70 V 3.5408 7.6316 116.9729 64.3118 31.2685 176.8223 71 R 4.2711 7.5341 116.4765 56.4151 30.5133 176.5556 72 H 4.7402 7.2830 115.2103 56.1706 29.7796 173.0278 73 E 3.6198 9.1186 111.9538 57.5936 27.4031 176.5408 74 G 3.9035 8.2166 102.5919 45.7424 0.0000 173.4764 75 Q 4.8687 7.9141 118.3304 53.5755 32.7345 174.8734 76 V 4.0244 8.7161 123.8614 60.9285 33.4876 174.9590 77 V 4.8586 8.3228 125.0609 61.3694 33.2378 174.1882 78 I 4.8124 8.5640 129.7816 60.2094 38.9496 175.3800 79 G 3.9227 9.0428 112.1058 45.8837 0.0000 172.5663 80 R 4.1370 8.3923 115.1419 57.1285 27.7140 176.6265 81 V 4.5837 8.0056 117.0753 62.8739 32.3340 175.5014 82 V 4.6944 9.1722 126.7556 61.2305 34.9920 172.5486 83 S 4.9621 8.3052 114.8484 56.5707 66.0327 173.6666 84 S 4.0834 8.8217 117.4078 58.9064 62.5299 175.6542 85 S 4.0859 8.8160 120.3156 61.2716 63.0841 175.6596 86 A 4.0104 7.9851 122.8825 54.9509 18.2253 178.1174 87 A 4.0921 7.7603 115.4899 52.8772 18.9787 176.8066 88 R 3.8600 7.3671 116.1526 56.9273 30.1355 176.3499 89 G 4.2485 8.2686 110.6100 42.2449 0.0000 172.1096 90 Q 4.1428 8.9464 122.8681 59.1722 29.0264 179.3557 91 G 3.7669 8.1068 106.0443 47.0176 0.0000 175.5080 92 L 4.3016 7.9175 122.3919 57.8827 42.1226 178.6229 93 G 3.9545 8.0495 106.0044 47.5084 0.0000 174.5358 94 H 5.0461 7.9172 120.5748 58.6065 30.1591 176.6695 95 Q 3.9375 7.9973 119.0283 59.0925 28.8472 179.1889 96 L 4.0774 8.4548 118.2157 56.7001 42.0194 178.5160 *98 E 4.1456 7.9599 120.1526 56.2201 31.3439 177.9983 99 R 3.8654 7.7234 117.2847 58.7003 29.7387 179.1259 100 A 3.9352 7.7262 120.4206 55.1803 18.4029 179.5650 101 L 3.9382 7.8428 117.0364 57.9359 41.5838 178.9909 102 Q 3.8932 8.4150 119.6235 59.5056 28.9069 178.7345 103 A 3.8774 8.4528 121.4106 55.1037 18.3899 179.2724 104 A 4.1882 8.2744 119.4810 55.6064 17.9913 179.5447 105 E 3.7841 8.6931 118.1715 58.7755 29.4506 178.7302 106 R 4.0908 7.3974 115.0876 57.9921 30.0827 178.2281 107 L 3.7317 7.9137 119.2397 55.5454 43.2949 177.3326 108 W 5.0742 8.2682 117.4645 53.9568 29.6012 174.3499 109 L 4.1480 7.7147 118.1126 56.2430 42.1487 176.4383 110 D 4.5619 8.8980 123.3848 55.1489 38.3952 173.3920 111 T 4.4776 7.8699 116.7028 61.4355 69.7119 173.1131 112 P 4.5998 0.0000 0.0000 63.0438 32.8648 175.0592 113 V 4.9424 8.6122 121.8094 61.6358 33.8434 173.8562 114 Y 5.2652 9.2888 127.9531 56.0780 42.4207 173.7802 115 L 4.4399 6.8930 122.4243 54.6344 43.4477 174.1344 116 S 4.6188 8.2822 115.1143 56.7096 63.6311 172.8920 117 A 4.6904 8.2055 128.4240 49.4473 22.1930 175.3882 118 Q 4.0183 8.4743 117.6544 55.8939 29.5250 177.6499 119 A 3.9899 9.0247 126.7992 55.7206 18.7341 178.9375 120 H 4.3373 8.3136 110.7128 58.8430 28.8239 177.2866 121 L 4.0288 7.2832 116.1276 55.2953 40.7215 178.0784 122 Q 4.4426 8.1000 116.0268 56.8331 28.6725 176.1210 123 A 4.5975 8.1596 120.7916 53.9047 20.2484 178.5207 124 Y 3.9613 7.9541 117.3530 61.0212 38.7530 177.9431 125 Y 4.4584 7.9719 117.2764 60.9976 38.1093 177.6579 126 G 4.4879 8.4935 106.2174 48.4550 0.0000 175.2052 127 R 3.7182 7.8499 119.1537 59.1858 30.3816 177.0284 128 Y 4.2328 8.4129 114.3755 58.0796 37.9814 176.6803 129 G 3.8697 9.1577 109.5813 44.9951 0.0000 174.0341 130 F 4.7190 8.0266 118.0766 57.1311 40.6941 174.6919 131 V 4.8387 8.4604 119.7397 61.0190 34.7458 174.5451 132 A 4.3888 8.8379 128.9892 52.6585 18.5444 177.6297 133 V 4.4244 9.5248 114.2381 60.8520 33.6064 175.1534 134 T 4.7498 7.5894 108.6058 59.3427 71.9084 172.6402 135 E 4.3133 8.5643 123.0353 55.4313 30.4967 175.6980 136 V 4.2571 8.0863 121.4961 61.4079 32.4597 174.9795 137 Y 4.9924 8.3485 121.4713 55.3328 42.1540 173.6542 138 L 4.7361 8.5987 119.7532 53.9524 42.3383 176.5384 139 E 4.3339 8.5482 121.6123 56.3000 32.6311 173.8147 *143 P 4.2730 0.0000 0.0000 62.9985 31.6101 174.7306 144 H 5.1699 8.2397 122.3956 55.3123 32.7135 174.3956 145 I 4.4204 8.2166 117.8285 60.0600 41.5733 174.6510 146 G 4.7144 9.5477 116.4445 44.8353 0.0000 172.6348 *148 R 5.1867 8.2732 116.1795 56.2784 31.4905 174.4303 149 R 4.8247 8.8428 115.1163 54.1863 33.2582 175.1289 150 A 4.1368 8.5707 122.8357 52.7916 18.3442 177.4287 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 S 8.33 4.58 0.00 3.91 3.95 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 3 L 8.36 4.56 0.00 1.70 1.23 0.88 0.70 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 4 D 9.74 4.90 0.00 2.67 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 5 W 8.92 4.89 0.00 3.19 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 6 T 8.44 4.72 4.36 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 1.46 0.00 0.00 7 C 8.80 5.06 0.00 3.06 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 8 K 8.99 4.79 0.00 1.86 1.74 0.00 1.94 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 9 H 8.70 4.27 0.00 3.04 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.72 4.22 0.00 3.63 3.84 0.00 5.51 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 11 A 7.86 3.84 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 12 D 8.53 4.63 0.00 2.67 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 13 L 7.07 4.39 0.00 1.52 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.89 4.63 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 1.19 0.00 0.00 15 L 8.40 4.00 0.00 1.70 1.78 0.90 0.89 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 16 K 8.15 4.01 0.00 1.81 1.95 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.54 7.81 17 E 8.29 4.26 0.00 2.41 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 2.52 2.33 0.00 18 L 8.36 3.96 0.00 1.86 1.75 0.97 0.71 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 19 Y 8.62 4.00 0.00 3.11 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 20 A 8.64 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.87 3.52 0.00 0.92 1.65 0.63 0.42 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 22 L 7.66 3.84 0.00 1.66 1.58 0.88 0.87 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 23 Q 7.83 3.64 0.00 1.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 24 L 7.74 3.74 0.00 1.54 1.38 0.76 0.86 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 25 R 7.73 3.60 0.00 2.03 2.40 0.00 3.01 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.54 0.00 26 T 8.03 3.85 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 1.19 0.00 0.00 27 E 8.19 3.79 0.00 1.98 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 2.22 2.27 0.00 28 V 7.30 3.74 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 0.81 0.00 0.00 0.75 0.00 0.00 29 F 7.35 4.76 0.00 3.56 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 30 V 7.77 4.62 2.37 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 1.60 0.00 0.00 1.16 0.00 0.00 31 V 8.08 3.73 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 1.00 0.00 0.00 0.92 0.00 0.00 32 E 8.45 3.87 0.00 2.05 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 0.00 2.32 2.28 0.00 33 Q 8.46 4.20 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 34 K 8.07 3.85 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.45 7.81 35 C 8.59 4.63 0.00 2.85 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 36 P 0.00 4.63 0.00 2.26 2.11 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 37 Y 7.95 4.80 0.00 3.11 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 38 Q 8.14 3.97 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 39 E 7.89 3.35 0.00 1.67 1.79 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 2.29 2.33 0.00 40 V 7.67 3.92 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 0.82 0.00 0.00 0.88 0.00 0.00 41 D 8.15 4.40 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 42 G 8.36 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 43 L 8.24 4.56 0.00 1.77 1.74 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.02 4.73 0.00 2.70 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 45 L 7.71 4.66 0.00 1.60 1.68 0.96 0.91 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 46 V 7.27 4.51 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 0.82 0.00 0.00 0.96 0.00 0.00 47 G 8.12 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 0.00 0.00 0.00 48 D 9.50 5.37 0.00 2.88 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 49 T 8.24 4.39 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 50 H 9.70 5.45 0.00 3.23 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.27 5.20 0.00 3.23 3.57 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.41 4.94 0.00 1.81 1.61 1.13 1.09 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 *54 A 8.23 3.57 -0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.65 4.92 0.00 3.21 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 56 R 8.68 4.61 0.00 1.76 1.73 0.00 3.25 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 57 D 9.85 4.57 0.00 2.83 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 58 G 8.32 4.14 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 59 Q 7.86 4.61 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 60 L 7.81 3.41 0.00 0.55 1.02 0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.27 4.53 0.00 1.39 1.52 0.85 0.44 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 62 A 7.34 5.03 1.05 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 0.00 0.00 0.00 0.00 0.00 63 Y 9.44 5.35 0.00 2.97 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 64 L 6.75 5.14 0.00 1.72 1.66 0.87 0.72 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 65 R 9.03 4.98 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 66 L 8.99 5.07 0.00 1.80 1.85 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 L 9.07 4.86 0.00 1.45 1.52 0.94 0.76 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 68 D 8.58 3.48 0.00 2.58 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 69 P 0.00 4.50 0.00 2.05 2.06 0.00 2.20 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 0.00 70 V 7.63 3.54 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 0.78 0.00 0.00 0.91 0.00 0.00 71 R 7.53 4.27 0.00 1.81 1.78 0.00 3.31 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 72 H 7.28 4.74 0.00 3.19 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.12 3.62 0.00 1.95 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 2.16 2.28 0.00 74 G 8.22 3.90 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 0.00 0.00 0.00 75 Q 7.91 4.87 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 76 V 8.72 4.02 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 0.86 0.00 0.00 0.85 0.00 0.00 77 V 8.32 4.86 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 0.97 0.00 0.00 0.85 0.00 0.00 78 I 8.56 4.81 1.79 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 1.21 0.79 0.86 0.00 0.00 79 G 9.04 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 0.00 0.00 0.00 80 R 8.39 4.14 0.00 2.31 2.50 0.00 3.68 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 81 V 8.01 4.58 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 0.93 0.00 0.00 0.98 0.00 0.00 82 V 9.17 4.69 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 0.81 0.00 0.00 0.50 0.00 0.00 83 S 8.31 4.96 0.00 3.87 3.81 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 84 S 8.82 4.08 0.00 3.79 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 85 S 8.82 4.09 0.00 3.97 4.14 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 86 A 7.99 4.01 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 87 A 7.76 4.09 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 88 R 7.37 3.86 0.00 1.95 1.95 0.00 3.23 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 89 G 8.27 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 90 Q 8.95 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 91 G 8.11 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 0.00 0.00 0.00 92 L 7.92 4.30 0.00 1.87 1.75 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.05 3.95 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 0.00 0.00 0.00 94 H 7.92 5.05 0.00 3.27 3.68 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.00 3.94 0.00 2.49 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 96 L 8.45 4.08 0.00 2.12 1.83 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 7.96 4.15 0.00 1.89 1.78 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 2.17 2.33 0.00 99 R 7.72 3.87 0.00 1.71 1.70 0.00 2.21 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.15 0.00 100 A 7.73 3.94 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 0.00 101 L 7.84 3.94 0.00 1.82 1.74 1.01 0.82 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 0.00 102 Q 8.41 3.89 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 103 A 8.45 3.88 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 0.00 104 A 8.27 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.69 3.78 0.00 2.04 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 0.00 2.29 2.31 0.00 106 R 7.40 4.09 0.00 1.87 1.96 0.00 3.04 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 107 L 7.91 3.73 0.00 0.30 0.13 -0.04 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.27 5.07 0.00 3.55 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 0.00 109 L 7.71 4.15 0.00 1.66 1.65 0.93 1.33 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 0.00 110 D 8.90 4.56 0.00 2.91 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 0.00 111 T 7.87 4.48 4.44 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 1.23 0.00 0.00 112 P 0.00 4.60 0.00 2.15 2.20 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 113 V 8.61 4.94 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.02 0.00 0.00 114 Y 9.29 5.27 0.00 3.00 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 0.00 115 L 6.89 4.44 0.00 1.39 1.29 -0.49 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.28 4.62 0.00 4.00 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 0.00 117 A 8.21 4.69 0.94 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 0.00 0.00 118 Q 8.47 4.02 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 119 A 9.02 3.99 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 0.00 120 H 8.31 4.34 0.00 3.33 3.56 0.00 5.46 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 0.00 121 L 7.28 4.03 0.00 1.90 1.66 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.10 4.44 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 123 A 8.16 4.60 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 0.00 124 Y 7.95 3.96 0.00 2.88 2.67 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 0.00 125 Y 7.97 4.46 0.00 3.08 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 0.00 126 G 8.49 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 0.00 127 R 7.85 3.72 0.00 1.43 1.59 0.00 3.21 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 128 Y 8.41 4.23 0.00 3.36 3.04 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 0.00 129 G 9.16 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.03 4.72 0.00 3.16 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 0.00 131 V 8.46 4.84 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 0.76 0.00 0.00 0.97 0.00 0.00 132 A 8.84 4.39 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 0.00 133 V 9.52 4.42 2.19 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 0.86 0.00 0.00 1.20 0.00 0.00 134 T 7.59 4.75 4.39 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 1.38 0.00 0.00 135 E 8.56 4.31 0.00 1.99 2.00 0.00 0.00 0.00 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 2.40 0.00 136 V 8.09 4.26 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 0.79 0.00 0.00 0.93 0.00 0.00 137 Y 8.35 4.99 0.00 3.04 3.07 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 0.00 138 L 8.60 4.74 0.00 1.58 1.63 0.91 0.81 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 0.00 139 E 8.55 4.33 0.00 1.82 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 2.13 2.32 0.00 *143 P 0.00 4.27 0.00 2.16 2.22 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 144 H 8.24 5.17 0.00 2.45 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.22 4.42 1.76 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 1.18 1.36 0.84 0.00 0.00 146 G 9.55 4.71 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 0.00 0.00 0.00 *148 R 8.27 5.19 0.00 2.30 2.45 0.00 3.06 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 149 R 8.84 4.82 0.00 1.67 1.28 0.00 2.41 0.00 0.00 2.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 150 A 8.57 4.14 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 * Residues marked with a * may have inaccurate shift predictions.