NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.6858 8.4444 120.3936 55.7137 31.2397 175.8749 5 H 4.0116 8.8849 117.8151 54.7267 29.9466 172.1368 6 H 4.3285 8.8267 126.3848 58.0289 30.7945 174.4740 7 G 4.0170 8.9467 114.6176 45.3136 0.0000 173.8767 8 S 4.4236 7.4675 113.6084 57.1750 64.0083 174.2323 9 L 3.9239 8.2579 124.1560 57.4704 41.8158 177.7368 *10 E 4.0506 9.0980 118.6939 56.5652 27.2080 175.5706 *11 I 3.9758 7.4813 117.5757 60.1822 35.5829 179.1395 12 R 4.1750 8.5018 127.6227 55.3495 30.4015 176.3460 13 T 4.2028 8.4438 115.4817 63.3633 69.7150 175.4356 14 K 4.2616 7.8765 121.0944 56.2444 32.6923 176.9345 15 V 4.1736 8.4224 113.9824 60.5697 32.8345 176.4687 16 G 3.8981 8.0162 107.7163 44.1651 0.0000 172.6731 17 E 4.1002 8.4966 118.6215 56.3356 30.0963 175.3677 18 I 5.1354 8.2660 125.3106 59.8076 40.3677 174.4622 19 C 5.0469 9.1082 124.0000 58.1807 31.4040 172.8340 20 I 5.1716 8.1315 120.5234 59.9486 41.1037 173.8340 21 S 4.7377 9.0696 121.6334 56.5381 66.4507 172.4746 22 K 4.1692 8.5545 127.3727 55.7529 33.4395 175.7299 23 V 4.9303 8.7220 119.4637 59.4535 36.6491 173.8386 24 W 5.1365 8.6686 132.8579 56.2287 31.7485 175.4903 25 L 4.8996 7.7097 126.7936 52.8733 44.8556 176.8154 26 T 4.3537 8.4627 113.6834 60.7807 70.1282 175.2009 27 D 4.3317 8.9474 122.5967 57.7844 40.7114 179.4566 28 E 3.9503 8.0240 118.3059 59.6101 29.5190 179.2629 29 Q 3.9765 8.0791 118.0019 58.8544 28.6972 178.9094 30 I 3.2975 7.6558 120.8374 64.1640 37.0933 177.9518 31 N 4.3413 8.0678 117.2220 56.6285 38.4650 177.5871 32 K 4.0007 7.8477 119.0383 59.1896 32.0819 179.2018 33 L 4.0120 8.0270 120.7734 58.4401 41.8589 179.1877 34 F 4.8150 7.6966 116.2394 60.8193 38.8762 177.1976 35 D 4.5571 8.1991 118.0804 56.9590 40.6924 178.0466 36 R 4.0412 7.9544 117.9910 56.2940 30.6848 176.3730 37 F 4.8852 7.9659 116.6887 55.6454 41.1558 175.1222 38 K 4.8848 8.9764 122.0622 55.9581 34.6131 177.2849 39 G 4.2398 8.1763 113.2980 46.2350 0.0000 176.9310 40 D 4.4354 8.3857 116.7739 52.4314 39.0338 174.2843 41 Y 5.2964 7.3083 117.9787 55.9383 41.9746 174.7196 42 Q 4.5575 9.5195 120.0441 54.6011 33.2103 173.2797 43 V 5.0965 8.5913 122.8971 60.1743 33.8304 175.1403 44 V 4.7429 9.0731 116.5972 59.7417 36.8965 174.0504 45 N 5.2502 9.3068 122.0477 52.2068 39.9855 173.6956 46 A 4.9360 8.5042 127.7357 50.2883 22.6520 175.4737 47 E 4.1154 8.7497 118.9325 59.2335 29.7325 176.6763 48 C 4.9013 7.4769 112.1184 54.0683 44.0739 174.6342 49 A 3.2495 8.4713 124.0564 55.0178 17.8071 179.6716 50 D 3.9677 7.8120 116.9400 57.4812 40.8494 179.0195 51 K 3.4310 7.5297 119.2183 59.2234 32.1520 178.8227 52 V 3.4998 6.9409 118.9112 65.8802 31.3058 178.1478 53 I 3.7272 7.5731 119.6132 64.2914 36.9453 178.3897 54 F 4.4239 8.3441 118.7677 60.7403 38.7300 177.6254 55 A 4.0308 8.2575 120.3802 55.3760 18.0721 179.9237 56 T 3.6960 8.1186 114.3654 66.6588 68.5583 177.0055 57 I 3.6539 8.0358 122.0308 64.5823 37.1770 178.5532 58 I 3.6399 7.8503 120.2375 64.2185 36.9102 178.3286 59 A 3.9179 8.0852 121.6680 55.1860 18.1991 179.7856 60 I 3.5115 7.7335 118.2797 64.3916 37.1443 178.8624 61 K 3.9249 8.0225 119.0501 59.3958 31.9103 179.3193 62 A 3.9373 8.3653 121.4531 55.0506 18.3097 179.8177 63 V 3.4859 7.8068 116.7544 66.0841 31.3987 178.1679 64 K 3.9586 7.8361 118.0672 59.2927 32.1495 177.7630 65 E 4.3237 8.2835 116.0833 55.5139 29.9031 176.4256 66 G 3.9665 7.9144 107.0581 47.1710 0.0000 174.4240 67 R 4.6360 8.5371 115.3425 55.3428 31.5370 176.0942 68 S 4.7117 7.8558 111.9182 57.5392 64.5166 174.2854 69 I 3.7764 8.7988 123.5780 64.3378 37.1528 177.0799 70 A 4.3031 8.4983 121.7262 51.9104 18.8960 177.3163 71 K 4.4224 8.3879 117.3462 56.7458 33.2440 177.4048 72 T 4.7446 7.3089 109.2149 58.9100 72.9990 174.7718 73 V 3.4414 8.2395 121.2419 65.8410 31.2291 176.4974 74 P 4.3469 0.0000 0.0000 65.5338 31.1627 178.7910 75 G 3.5691 7.9374 104.0834 47.8443 0.0000 175.4295 76 E 4.0010 8.3897 121.9084 58.5999 29.4846 178.8976 77 I 3.6418 7.9902 120.5861 64.3152 37.1923 178.2691 78 L 3.9674 7.5666 119.2883 57.6756 41.3792 179.7998 79 V 3.7990 7.6192 119.4285 65.7346 31.3191 178.4233 80 R 3.9018 8.1134 116.8290 58.9918 29.9369 178.5340 81 L 4.1235 8.0689 120.1528 58.0241 42.1966 178.7592 82 S 4.3721 8.0916 113.4287 59.1083 63.2399 175.4241 83 G 3.8145 8.1760 108.8078 45.3684 0.0000 171.9858 84 N 4.8938 7.9583 118.7513 51.3404 40.3081 175.9693 85 R 4.0128 8.6012 124.7453 58.4052 30.8145 177.1130 86 Q 4.3419 8.0455 118.0561 54.6495 29.7945 176.3089 87 I 3.7320 8.3692 127.0543 64.1987 37.0355 178.2972 88 K 3.8963 8.0390 119.1475 60.3092 32.0814 178.8737 89 E 3.9754 8.0301 118.9855 58.6957 29.4722 178.8079 90 A 4.0122 8.4861 121.3311 55.3110 18.4436 179.6705 91 I 3.6420 8.0963 118.6105 64.5312 36.9194 178.7837 92 K 3.9652 7.5886 118.2540 59.1210 31.9133 178.9060 93 K 4.2268 7.5127 118.8165 58.6045 32.7198 177.5850 94 V 4.7133 7.4269 108.5787 59.3057 34.0302 176.2296 95 G 4.1068 8.2844 108.2127 45.6711 0.0000 173.6632 96 A 4.5117 8.7993 122.2432 52.5810 18.7913 177.4801 97 K 4.5009 8.8263 120.0851 53.8863 36.2265 176.0882 98 E 3.6107 8.7214 122.2902 57.2304 30.5282 175.2942 99 G 2.5518 6.8873 111.9356 43.7498 0.0000 172.2508 100 E 4.8113 8.8057 123.0289 56.3148 30.5135 176.0790 101 N 5.2657 9.1648 120.8845 51.8455 43.8017 172.5174 102 Y 4.9940 9.3223 117.3468 56.4176 41.2346 175.1061 103 I 4.8888 8.6523 125.0460 59.7429 39.3928 175.0145 104 V 5.2348 9.0555 127.0533 60.1171 34.3007 174.7972 105 T 5.2821 8.9357 113.1108 60.4065 72.5935 172.2859 106 F 5.3012 7.5115 116.2695 57.8975 41.5319 174.0345 107 G 3.9247 9.1629 110.0797 45.0825 0.0000 174.3667 *108 E 4.0142 8.8637 113.6215 58.5482 29.6998 174.0362 109 N 5.0786 7.8062 116.0989 52.1349 39.9727 176.7220 110 A 3.9448 7.9370 121.8495 55.6195 18.5447 179.8116 111 S 4.0223 8.0359 110.6286 61.4928 62.4964 176.0049 112 A 4.0022 7.9265 123.0533 54.9735 18.0800 179.2027 113 L 3.8353 8.0306 118.9531 58.0387 42.1304 179.0030 114 L 3.7749 7.9126 120.2838 58.1182 42.1029 178.5439 115 Q 3.8985 7.9813 119.5212 59.0545 28.8413 178.3180 116 K 3.9408 8.1564 122.0396 59.0214 32.3978 178.5637 117 I 2.9613 7.5463 120.2590 64.1992 36.9535 178.4309 118 L 3.8870 7.8341 119.6712 57.6734 40.9700 179.6463 119 S 4.0937 8.4496 114.4230 62.0214 62.6859 176.6922 120 T 3.9711 7.9984 118.7966 65.4850 68.2626 175.7499 121 L 4.4325 7.6158 117.5334 53.1961 42.5114 176.3859 122 E 3.7775 7.7336 117.4812 57.2141 27.6806 175.5352 123 I 4.0114 7.5599 118.7212 60.8731 38.3927 177.1984 124 K 4.1904 8.7244 128.8455 56.3380 33.1278 175.6363 125 E 4.8569 8.7936 127.0205 55.8841 30.7168 175.5781 126 L 4.8233 8.4732 122.3747 52.2048 45.3227 176.1154 127 E 3.8983 8.6683 121.1714 56.1224 29.9262 176.3854 128 L 4.0481 8.5491 128.3036 55.2470 42.8606 175.1442 129 E 4.6553 8.8732 126.8767 54.5805 31.3927 175.0138 130 R 4.6384 8.5744 126.1832 55.9128 31.2369 177.2178 131 C 4.5124 9.0270 121.0253 56.7059 41.0876 173.6989 132 D 4.6577 8.6391 122.2732 52.7346 40.2189 177.0350 133 L 3.9902 8.4396 120.6381 57.9800 42.0585 178.3951 134 E 3.9406 8.1947 119.0822 59.5343 29.6781 178.1038 135 Y 3.9286 8.3809 118.8328 60.5487 38.8838 177.4328 136 A 4.2846 8.5126 122.1894 54.9480 18.4657 179.4393 137 K 3.8760 8.6275 118.6685 59.6013 32.2150 178.9742 138 K 3.8861 7.9874 119.3759 59.4215 32.2449 178.6501 139 A 3.9173 8.3492 121.5207 55.0145 18.2511 179.4505 140 F 3.8433 8.7914 119.7056 61.3816 39.3185 177.2835 141 E 4.1396 8.3681 116.0001 59.5900 29.3441 178.5484 142 D 4.4362 8.2690 119.3504 56.4983 40.9005 177.7074 143 I 4.1183 7.2849 118.0796 61.9538 38.4086 175.5818 144 A 3.9656 7.6949 126.5965 52.0108 18.7071 176.5785 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 H 8.44 4.69 0.00 3.15 2.51 0.00 5.70 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 5 H 8.88 4.01 0.00 3.23 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.83 4.33 0.00 3.07 3.24 0.00 5.94 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 7 G 8.95 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 8 S 7.47 4.42 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.26 3.92 0.00 1.66 1.66 0.92 0.96 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 *10 E 9.10 4.05 0.00 2.07 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 0.00 2.08 1.82 0.00 *11 I 7.48 3.98 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 1.30 1.10 0.91 0.00 0.00 12 R 8.50 4.18 0.00 2.03 1.87 0.00 3.31 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 13 T 8.44 4.20 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 14 K 7.88 4.26 0.00 1.79 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 15 V 8.42 4.17 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 0.72 0.00 0.00 0.95 0.00 0.00 16 G 8.02 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 17 E 8.50 4.10 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 18 I 8.27 5.14 1.94 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 1.46 1.03 1.01 0.00 0.00 19 C 9.11 5.05 0.00 2.87 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 20 I 8.13 5.17 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 0.98 0.00 0.00 21 S 9.07 4.74 0.00 3.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.17 0.00 1.44 1.61 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 0.46 7.81 23 V 8.72 4.93 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 0.61 0.00 0.00 0.88 0.00 0.00 24 W 8.67 5.14 0.00 3.33 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 25 L 7.71 4.90 0.00 1.25 1.23 0.75 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.46 4.35 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 1.31 0.00 0.00 27 D 8.95 4.33 0.00 2.71 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 28 E 8.02 3.95 0.00 2.03 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 2.40 2.46 0.00 29 Q 8.08 3.98 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 30 I 7.66 3.30 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.66 0.00 0.00 31 N 8.07 4.34 0.00 2.88 2.90 0.00 0.00 7.07 6.36 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 32 K 7.85 4.00 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 33 L 8.03 4.01 0.00 1.73 1.40 0.71 0.96 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 34 F 7.70 4.81 0.00 3.15 3.05 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 35 D 8.20 4.56 0.00 2.88 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 36 R 7.95 4.04 0.00 1.77 1.91 0.00 3.16 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 37 F 7.97 4.89 0.00 2.86 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 38 K 8.98 4.88 0.00 1.78 1.86 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.38 7.81 39 G 8.18 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 0.00 0.00 0.00 0.00 40 D 8.39 4.44 0.00 2.19 1.54 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 41 Y 7.31 5.30 0.00 3.01 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 42 Q 9.52 4.56 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 43 V 8.59 5.10 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 1.08 0.00 0.00 0.94 0.00 0.00 44 V 9.07 4.74 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 0.75 0.00 0.00 1.03 0.00 0.00 45 N 9.31 5.25 0.00 2.84 2.83 0.00 0.00 7.10 8.18 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 46 A 8.50 4.94 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 47 E 8.75 4.12 0.00 1.50 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 2.36 2.27 0.00 48 C 7.48 4.90 0.00 3.05 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 49 A 8.47 3.25 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 50 D 7.81 3.97 0.00 2.43 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 0.00 0.00 0.00 51 K 7.53 3.43 0.00 1.89 1.76 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 52 V 6.94 3.50 1.93 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 0.95 0.00 0.00 0.63 0.00 0.00 53 I 7.57 3.73 1.97 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 1.60 0.82 1.02 0.00 0.00 54 F 8.34 4.42 0.00 3.09 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 55 A 8.26 4.03 1.37 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 56 T 8.12 3.70 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 1.10 0.00 0.00 57 I 8.04 3.65 2.02 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 1.55 0.95 0.90 0.00 0.00 58 I 7.85 3.64 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.84 0.00 0.00 59 A 8.09 3.92 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 60 I 7.73 3.51 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 0.88 0.00 0.00 61 K 8.02 3.92 0.00 1.91 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 62 A 8.37 3.94 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 63 V 7.81 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 64 K 7.84 3.96 0.00 1.91 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 E 8.28 4.32 0.00 2.01 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 2.51 2.44 0.00 66 G 7.91 3.97 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 0.00 0.00 0.00 67 R 8.54 4.64 0.00 1.94 1.86 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.39 0.00 68 S 7.86 4.71 0.00 4.06 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 69 I 8.80 3.78 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.93 0.00 0.00 70 A 8.50 4.30 1.21 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 0.00 0.00 0.00 71 K 8.39 4.42 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.33 7.81 72 T 7.31 4.74 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 V 8.24 3.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.85 0.00 0.00 74 P 0.00 4.35 0.00 2.13 2.09 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 75 G 7.94 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 0.00 0.00 0.00 0.00 76 E 8.39 4.00 0.00 2.13 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 2.24 2.33 0.00 77 I 7.99 3.64 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.90 0.00 0.00 78 L 7.57 3.97 0.00 1.83 1.70 0.87 0.73 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 79 V 7.62 3.80 2.17 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 1.22 0.00 0.00 0.93 0.00 0.00 80 R 8.11 3.90 0.00 1.78 1.94 0.00 3.33 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 81 L 8.07 4.12 0.00 1.65 1.77 0.91 1.12 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 82 S 8.09 4.37 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 84 N 7.96 4.89 0.00 2.72 2.66 0.00 0.00 7.24 7.21 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 85 R 8.60 4.01 0.00 1.83 1.96 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 86 Q 8.05 4.34 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 I 8.37 3.73 1.84 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 1.66 0.69 0.87 0.00 0.00 88 K 8.04 3.90 0.00 1.96 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 89 E 8.03 3.98 0.00 2.29 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 2.31 0.00 90 A 8.49 4.01 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 91 I 8.10 3.64 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.90 0.00 0.00 92 K 7.59 3.97 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 93 K 7.51 4.23 0.00 1.99 1.97 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.34 7.81 94 V 7.43 4.71 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 0.77 0.00 0.00 0.97 0.00 0.00 95 G 8.28 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 0.00 0.00 0.00 96 A 8.80 4.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.83 4.50 0.00 1.94 1.61 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.22 7.81 98 E 8.72 3.61 0.00 1.96 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 0.00 2.14 2.15 0.00 99 G 6.89 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.81 4.81 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 101 N 9.16 5.27 0.00 2.46 2.74 0.00 0.00 6.42 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 9.32 4.99 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.65 4.89 1.87 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 1.29 0.92 0.97 0.00 0.00 104 V 9.06 5.23 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 1.00 0.00 0.00 1.10 0.00 0.00 105 T 8.94 5.28 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 106 F 7.51 5.30 0.00 3.02 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 0.00 107 G 9.16 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 *108 E 8.86 4.01 0.00 2.00 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 2.24 1.93 0.00 109 N 7.81 5.08 0.00 2.69 2.79 0.00 0.00 7.00 7.17 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 0.00 110 A 7.94 3.94 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 0.00 111 S 8.04 4.02 0.00 3.91 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 0.00 112 A 7.93 4.00 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 0.00 113 L 8.03 3.84 0.00 1.80 1.75 0.90 0.33 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 0.00 114 L 7.91 3.77 0.00 1.78 1.76 0.87 0.51 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 0.00 115 Q 7.98 3.90 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 K 8.16 3.94 0.00 1.94 1.94 0.00 1.85 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.70 1.45 7.81 117 I 7.55 2.96 1.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.45 0.00 0.00 118 L 7.83 3.89 0.00 1.77 1.66 0.93 0.62 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 0.00 119 S 8.45 4.09 0.00 3.99 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 0.00 120 T 8.00 3.97 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 121 L 7.62 4.43 0.00 1.61 1.67 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.73 3.78 0.00 2.01 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 2.27 2.26 0.00 123 I 7.56 4.01 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.87 0.00 0.00 124 K 8.72 4.19 0.00 1.92 1.78 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.55 7.81 125 E 8.79 4.86 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 126 L 8.47 4.82 0.00 1.38 1.52 0.99 0.88 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 0.00 127 E 8.67 3.90 0.00 1.91 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 2.30 2.31 0.00 128 L 8.55 4.05 0.00 1.67 1.62 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.87 4.66 0.00 2.12 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 2.29 2.32 0.00 130 R 8.57 4.64 0.00 1.74 1.84 0.00 3.43 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 131 C 9.03 4.51 0.00 2.90 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 0.00 132 D 8.64 4.66 0.00 2.93 2.83 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 0.00 133 L 8.44 3.99 0.00 1.81 1.73 0.95 0.76 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 0.00 134 E 8.19 3.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 135 Y 8.38 3.93 0.00 3.27 3.09 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 0.00 136 A 8.51 4.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.63 3.88 0.00 1.89 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 138 K 7.99 3.89 0.00 1.80 1.59 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 139 A 8.35 3.92 1.46 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 0.00 0.00 140 F 8.79 3.84 0.00 3.12 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 0.00 141 E 8.37 4.14 0.00 2.20 2.17 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 2.54 2.36 0.00 142 D 8.27 4.44 0.00 2.85 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 0.00 143 I 7.28 4.12 1.93 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 1.58 0.55 0.84 0.00 0.00 144 A 7.69 3.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.