NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5204 8.4201 119.1972 53.4021 40.8112 174.6407 0 A 4.4398 7.7961 118.9809 48.3859 19.7371 176.5302 2 S 3.9626 9.2762 115.6249 59.5326 64.2656 173.2298 3 L 4.1760 7.9121 122.1066 55.2672 42.0124 175.8576 4 E 4.5824 8.6936 125.2911 54.4921 31.2132 175.0001 5 K 3.8462 8.6329 128.9693 56.1838 32.9120 175.6904 6 L 4.7504 8.3322 127.6527 52.9477 44.1804 176.0409 7 D 4.8103 8.2138 121.7620 51.8891 42.0076 177.3246 8 T 3.7778 8.3866 115.2424 66.9492 68.2941 176.3979 9 N 4.3156 8.1337 117.5637 56.9594 38.5601 177.4856 10 T 3.8775 8.3245 116.8977 66.0993 68.4091 176.7163 11 F 3.7172 8.3985 123.0858 61.2494 39.3780 176.7892 12 E 4.0311 8.3280 118.0177 59.6123 29.3221 179.0970 13 Q 4.2204 7.7679 120.2689 58.6392 29.1232 178.3173 14 L 3.7714 7.8271 119.8878 57.9663 41.5163 179.7501 15 I 3.3823 7.2466 119.4994 63.5714 36.7185 177.5739 16 Y 4.5724 7.3275 115.6369 59.9444 38.8552 176.9525 17 D 4.5329 8.0896 119.1182 56.4275 41.2044 177.3912 18 E 4.4669 7.9352 115.2867 55.0861 30.5733 175.9879 19 G 3.9976 8.1320 106.9508 45.7545 0.0000 173.0169 20 K 4.0984 7.7260 120.2353 56.5174 32.9442 175.9760 21 A 4.4871 8.6092 129.5542 52.0143 19.5364 175.8132 22 C 3.2994 8.1107 116.3746 57.3528 33.7753 172.6478 23 L 4.9802 8.2811 118.8764 54.1730 43.5031 176.1344 24 V 5.1948 8.1571 119.0841 60.5078 35.8870 173.1307 *26 F 4.7215 8.4727 117.0329 57.8201 40.5340 174.4951 27 S 5.0962 9.1146 117.5726 57.0829 66.6451 172.0142 28 R 5.0276 8.2391 120.7474 53.9512 33.0670 174.7032 29 K 4.0676 8.6500 122.4845 57.9427 33.4182 175.7858 30 N 4.1082 8.6521 114.2052 55.1183 35.6887 175.4407 31 C 4.6853 7.6160 116.9043 57.2177 34.7479 172.2140 32 H 4.1823 8.8264 128.3408 59.2222 29.5554 177.2338 33 V 3.5074 7.7195 119.6119 66.1355 31.5278 177.2857 34 C 3.9274 8.1787 116.0491 63.3964 27.7491 176.2804 35 Q 3.9828 7.9300 117.6884 58.6687 27.2297 178.6116 36 K 4.1435 7.7282 119.0405 58.7839 32.2660 179.5142 37 V 3.8403 7.9700 118.8263 66.0117 31.4313 177.9254 38 T 3.8474 7.9204 115.6231 66.5816 68.3284 174.6207 39 P 4.6406 0.0000 0.0000 64.7994 31.4079 178.9260 40 V 3.5900 7.2179 117.3426 66.0761 31.5427 178.1403 41 L 4.2345 8.0354 118.7320 57.7638 41.3213 179.2954 42 E 3.8697 8.8481 118.9225 59.3382 28.9953 178.8741 43 E 3.9149 8.2710 119.2312 59.5467 29.6253 179.0052 44 L 4.1434 7.8739 118.3807 57.5980 41.7020 179.1043 45 R 2.5681 7.6208 118.7716 59.4045 29.5158 178.3845 46 L 3.9642 7.2198 116.1369 57.5326 41.6599 178.4808 47 N 4.3355 8.0310 114.4068 53.2314 39.0682 174.5169 48 Y 4.7675 6.9728 117.9019 55.5615 41.1606 175.5496 49 E 4.2854 8.6682 122.3960 56.2805 30.2307 178.0667 50 E 4.1729 8.7800 120.0242 58.8567 29.9141 178.7547 51 S 4.2521 8.4160 113.4802 61.0492 62.6911 174.3293 52 F 5.1900 7.7902 123.6725 55.8240 39.8358 174.9753 53 G 3.7987 7.9384 113.3293 44.9174 0.0000 172.3651 54 F 4.8672 8.0278 120.5346 55.7127 41.5926 173.6890 55 Y 5.2541 8.7977 121.2108 56.2197 42.0954 174.3224 56 Y 4.9198 9.0029 118.1322 55.3486 42.2603 174.2515 57 V 4.2672 7.9121 119.0488 60.8843 35.0298 173.6908 58 D 5.0177 8.4245 127.5423 53.8140 41.4979 177.1302 59 V 3.5862 8.7756 120.9865 64.0074 31.3920 177.9539 60 E 4.1085 7.9990 119.3763 58.9169 29.5553 177.8990 61 E 4.2225 8.2213 116.6942 57.6803 30.8369 176.6771 62 E 4.7413 8.0510 118.7974 55.2886 29.8150 177.4796 63 K 4.2310 8.0784 121.9624 59.9947 32.6204 179.3076 64 T 3.9066 7.9012 109.5696 64.4651 68.5419 176.1213 65 L 3.8692 7.8759 121.9264 57.9739 42.3580 178.2133 66 F 4.5289 8.4558 120.4448 61.6850 39.3872 177.0195 67 Q 3.8165 8.9256 117.9366 58.7969 28.2046 178.6133 68 R 3.6830 7.8369 119.1541 59.3666 30.1005 177.3371 69 F 4.1933 7.5884 114.4222 57.5591 39.7453 175.4228 70 S 3.4565 7.2502 115.4714 58.9116 62.1428 172.3725 71 L 4.1273 6.7953 118.5104 54.8599 42.7396 177.6648 72 K 4.3044 8.6656 122.3363 57.6517 32.1378 177.1949 73 G 4.1688 9.2596 109.2421 45.7148 0.0000 171.5926 74 V 4.6355 7.7500 112.0622 58.3074 35.3922 173.8749 75 P 4.9652 0.0000 0.0000 63.0258 32.9975 174.8879 76 Q 4.9669 8.7487 118.0960 54.3177 32.9539 174.8305 77 I 4.7176 8.5217 123.0771 59.6946 39.8950 174.3811 78 L 5.2049 8.8468 127.2775 53.2620 43.9761 175.1391 79 Y 5.0419 8.7752 119.7546 56.3162 41.2523 174.8664 80 F 5.2187 8.8607 120.7895 55.9609 44.1385 173.9202 81 K 4.5113 9.3028 117.1755 57.5606 35.5396 174.6618 82 D 4.5851 10.2608 125.5740 55.3596 38.9954 175.1815 83 G 4.2416 8.5900 106.4323 44.9106 0.0000 174.3616 84 E 4.4291 8.3237 120.1452 55.7344 30.4919 175.1771 85 Y 4.7417 8.5716 123.5189 56.2305 38.7490 175.4189 86 K 4.0319 9.1220 128.8225 56.9876 32.7602 177.9700 87 G 3.9010 6.7299 105.2270 44.1967 0.0000 169.9923 88 K 5.3667 7.7352 117.2993 55.4426 34.1996 174.9892 *90 A 4.2046 8.4465 120.3682 53.6274 19.9315 178.7546 91 G 3.8455 8.7958 108.7428 44.8412 0.0000 172.8360 92 D 4.5223 8.5377 119.0749 54.3903 41.9372 177.0332 93 V 4.5867 7.9384 117.4260 59.0042 35.8405 175.5601 94 E 4.5336 8.7243 122.2001 55.3330 32.0611 177.7435 95 D 4.4698 8.5761 121.8717 56.6762 39.4572 178.5508 96 D 4.4314 8.0873 120.2112 56.0971 39.2267 177.8121 97 E 3.8515 8.1201 119.4147 59.0823 29.7689 178.3040 98 V 3.8999 7.4355 118.1853 65.5785 31.9115 177.3197 99 E 4.2073 8.6540 118.4103 59.5108 29.3020 179.6646 100 Q 3.8747 8.0828 117.6139 56.6401 29.1308 177.7811 *102 I 3.8526 7.7979 120.6292 60.7371 39.1861 177.9435 103 A 3.9838 7.9023 120.8723 55.2309 18.4523 179.1076 104 D 4.5430 7.9231 117.3345 57.5138 40.5912 179.0543 105 V 3.6099 7.7266 118.1335 66.2376 31.3595 177.7446 106 L 4.0309 7.9087 116.4984 56.5385 41.6311 178.1758 107 E 4.2239 8.0469 116.4801 55.9142 30.1229 176.0394 108 D 4.7110 7.5186 124.4967 54.0261 41.5236 173.2649 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 -1 N 8.42 4.52 0.00 2.62 2.79 0.00 0.00 6.95 7.08 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 A 7.80 4.44 1.06 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 0.00 0.00 2 S 9.28 3.96 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.91 4.18 0.00 1.57 1.96 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.69 4.58 0.00 2.22 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 2.34 2.33 0.00 5 K 8.63 3.85 0.00 1.44 1.46 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 0.42 7.81 6 L 8.33 4.75 0.00 1.38 1.41 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.21 4.81 0.00 2.90 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 8 T 8.39 3.78 4.22 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 1.24 0.00 0.00 9 N 8.13 4.32 0.00 2.85 2.86 0.00 0.00 7.12 7.05 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 10 T 8.32 3.88 4.12 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 1.03 0.00 0.00 11 F 8.40 3.72 0.00 2.91 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 12 E 8.33 4.03 0.00 2.12 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 0.00 2.78 2.49 0.00 13 Q 7.77 4.22 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 14 L 7.83 3.77 0.00 1.32 1.33 0.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.25 3.38 0.56 0.00 0.00 -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 0.70 -0.23 -0.37 0.00 0.00 16 Y 7.33 4.57 0.00 3.10 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 17 D 8.09 4.53 0.00 2.93 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 18 E 7.94 4.47 0.00 2.07 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 0.00 2.23 2.19 0.00 19 G 8.13 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 0.00 0.00 0.00 20 K 7.73 4.10 0.00 1.84 1.58 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.38 7.81 21 A 8.61 4.49 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 22 C 8.11 3.30 0.00 2.86 2.78 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 0.00 0.00 0.00 23 L 8.28 4.98 0.00 1.01 1.11 0.78 0.48 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 24 V 8.16 5.19 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 1.11 0.00 0.00 0.98 0.00 0.00 *26 F 8.47 4.72 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.11 5.10 0.00 3.85 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 28 R 8.24 5.03 0.00 1.72 1.68 0.00 3.23 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 29 K 8.65 4.07 0.00 1.90 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.46 7.81 30 N 8.65 4.11 0.00 2.88 2.95 0.00 0.00 6.64 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 31 C 7.62 4.69 0.00 2.92 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 32 H 8.83 4.18 0.00 3.29 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.72 3.51 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 1.04 0.00 0.00 0.96 0.00 0.00 34 C 8.18 3.93 0.00 3.15 2.94 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 35 Q 7.93 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 36 K 7.73 4.14 0.00 1.85 1.81 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 37 V 7.97 3.84 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 1.07 0.00 0.00 1.02 0.00 0.00 38 T 7.92 3.85 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 39 P 0.00 4.64 0.00 2.14 2.09 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 40 V 7.22 3.59 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 1.11 0.00 0.00 1.03 0.00 0.00 41 L 8.04 4.23 0.00 1.95 2.00 0.99 0.95 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 42 E 8.85 3.87 0.00 2.09 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 2.30 2.40 0.00 43 E 8.27 3.91 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 44 L 7.87 4.14 0.00 2.13 2.03 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.62 2.57 0.00 1.70 1.61 0.00 3.08 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 46 L 7.22 3.96 0.00 1.79 1.65 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.03 4.34 0.00 2.15 2.37 0.00 0.00 6.80 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 48 Y 6.97 4.77 0.00 3.25 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 49 E 8.67 4.29 0.00 2.13 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 2.44 2.37 0.00 50 E 8.78 4.17 0.00 2.00 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 2.35 2.28 0.00 51 S 8.42 4.25 0.00 4.07 4.12 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 52 F 7.79 5.19 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.94 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 54 F 8.03 4.87 0.00 2.67 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 Y 8.80 5.25 0.00 2.87 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 56 Y 9.00 4.92 0.00 3.01 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 57 V 7.91 4.27 0.92 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 0.79 0.00 0.00 0.57 0.00 0.00 58 D 8.42 5.02 0.00 2.80 2.51 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 0.00 0.00 0.00 0.00 59 V 8.78 3.59 1.17 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 0.30 0.00 0.00 0.66 0.00 0.00 60 E 8.00 4.11 0.00 2.11 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 2.31 2.41 0.00 61 E 8.22 4.22 0.00 1.91 1.97 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 2.27 2.46 0.00 62 E 8.05 4.74 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 63 K 8.08 4.23 0.00 1.84 1.94 0.00 1.69 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.73 7.81 64 T 7.90 3.91 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 1.22 0.00 0.00 65 L 7.88 3.87 0.00 1.65 1.98 0.29 0.20 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 66 F 8.46 4.53 0.00 3.38 3.34 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 67 Q 8.93 3.82 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 68 R 7.84 3.68 0.00 1.70 1.67 0.00 2.53 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.44 0.00 69 F 7.59 4.19 0.00 2.69 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 70 S 7.25 3.46 0.00 4.00 3.84 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 71 L 6.80 4.13 0.00 1.32 1.61 0.46 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.67 4.30 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.36 7.81 73 G 9.26 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.75 4.64 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 0.75 0.00 0.00 0.93 0.00 0.00 75 P 0.00 4.97 0.00 2.18 2.22 0.00 3.67 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 2.26 2.02 0.00 76 Q 8.75 4.97 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 77 I 8.52 4.72 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.46 0.00 0.00 78 L 8.85 5.20 0.00 1.75 1.11 0.80 -0.74 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 79 Y 8.78 5.04 0.00 2.73 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 80 F 8.86 5.22 0.00 2.80 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 81 K 9.30 4.51 0.00 1.83 1.66 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 82 D 10.26 4.59 0.00 2.84 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 83 G 8.59 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 84 E 8.32 4.43 0.00 2.30 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 2.39 2.33 0.00 85 Y 8.57 4.74 0.00 3.22 3.08 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 0.00 0.00 0.00 86 K 9.12 4.03 0.00 1.75 1.81 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.58 7.81 87 G 6.73 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 88 K 7.74 5.37 0.00 2.03 1.96 0.00 1.39 0.00 0.00 2.53 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 *90 A 8.45 4.20 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 91 G 8.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.54 4.52 0.00 2.65 2.60 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 93 V 7.94 4.59 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 0.87 0.00 0.00 0.99 0.00 0.00 94 E 8.72 4.53 0.00 2.13 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 2.46 0.00 95 D 8.58 4.47 0.00 3.00 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 96 D 8.09 4.43 0.00 2.90 2.98 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 97 E 8.12 3.85 0.00 1.99 2.25 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 2.30 2.37 0.00 98 V 7.44 3.90 2.30 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 1.18 0.00 0.00 1.08 0.00 0.00 99 E 8.65 4.21 0.00 2.20 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 2.48 2.49 0.00 100 Q 8.08 3.87 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 *102 I 7.80 3.85 1.73 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.81 -0.23 0.00 0.00 103 A 7.90 3.98 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 0.00 104 D 7.92 4.54 0.00 2.62 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 0.00 105 V 7.73 3.61 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 1.29 0.00 0.00 0.94 0.00 0.00 106 L 7.91 4.03 0.00 1.85 1.78 1.01 1.01 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 0.00 107 E 8.05 4.22 0.00 2.14 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 0.00 2.47 2.31 0.00 108 D 7.52 4.71 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.