NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.5844 8.4045 120.2819 54.9938 33.4872 175.0505 6 R 4.1561 8.2782 124.8836 53.2643 30.6862 168.0202 7 V 3.6861 8.3369 123.0574 63.9639 32.5559 175.6492 8 G 4.1261 8.8339 116.1735 44.3183 0.0000 173.5424 9 E 4.2379 8.0815 120.7197 56.7340 30.2747 176.5775 10 R 5.4138 8.7140 120.0419 54.5695 32.9298 174.7880 11 F 5.1062 9.2290 121.0749 56.9500 43.1162 173.2283 12 T 4.8539 7.5486 121.0217 61.8712 71.6207 173.1009 13 H 4.4673 8.6682 124.3028 54.7003 33.0380 171.6088 14 D 5.2363 8.4038 125.2438 52.8667 43.5344 176.3322 15 F 4.4396 8.4987 124.2401 57.2168 42.5312 173.2944 16 V 3.8578 7.7296 127.6594 62.4307 32.2702 175.5157 17 V 3.4782 8.1102 129.2298 61.6139 32.1703 174.1726 18 P 4.5980 0.0000 0.0000 61.4154 32.1528 175.5424 19 P 4.2543 0.0000 0.0000 65.3343 31.2822 177.0935 20 H 4.2470 7.7984 112.1930 55.2555 28.7556 175.3367 21 K 3.7762 7.6528 119.1857 56.5725 32.5760 176.5147 22 T 5.2395 7.7725 108.6397 59.2855 71.0312 175.4481 23 V 3.3055 8.6240 121.1557 66.2796 31.5386 178.4332 24 R 4.0641 7.9913 117.6171 59.2128 30.1644 178.4850 25 H 4.4826 8.0289 114.4006 58.0924 29.0842 176.5955 26 L 3.8605 7.7070 120.6984 57.5665 42.1834 176.6521 27 Y 4.9773 7.3383 115.2541 53.9704 38.5139 173.6346 28 P 4.5794 0.0000 0.0000 64.4908 32.1725 177.4648 29 E 4.1920 8.3810 114.1270 56.8075 29.6501 175.5768 30 S 4.8352 7.9429 115.3850 56.2432 63.0277 172.1962 31 P 4.4903 0.0000 0.0000 65.0403 31.5672 178.6725 32 E 4.0849 8.0251 117.0212 58.6918 29.6951 177.5858 33 F 4.7771 7.9285 115.5934 57.7396 39.7431 177.4454 34 A 4.0886 7.6249 122.6322 54.9472 18.1333 178.2099 35 E 4.6767 8.1833 111.6595 56.0638 29.9545 176.2152 36 F 4.1329 8.2704 118.2233 56.6616 39.5198 173.4214 37 P 4.3023 0.0000 0.0000 63.6323 31.9326 177.2190 38 E 4.5227 8.5028 122.3877 55.2267 28.1513 175.8091 39 V 4.8028 7.2609 113.7250 58.6883 36.7142 175.3465 40 F 4.8870 9.3877 125.4744 59.3950 39.6187 175.0246 41 A 4.2475 8.8507 127.8250 51.8436 19.4137 178.2938 42 T 3.7807 8.8102 117.8954 66.8010 68.5929 177.0394 43 G 3.4803 7.8692 106.8278 48.0438 0.0000 175.5299 44 F 4.3578 7.5487 119.6737 60.2616 38.9228 177.4172 45 M 3.9893 7.6533 118.1283 58.4039 31.8617 178.5104 46 V 3.6108 8.0017 118.8797 65.8546 31.7062 178.2130 47 G 3.6261 7.9940 105.5014 47.7965 0.0000 175.4376 48 L 4.2740 8.1523 122.6869 58.1556 42.0554 178.9240 49 M 4.0714 8.3570 118.9597 58.4329 31.7940 178.5875 50 E 3.8524 8.4423 119.0554 59.0501 29.6030 179.2077 51 W 4.2247 8.3230 128.2832 60.2407 30.7377 177.7973 52 A 3.8442 7.9596 120.7984 55.5804 17.8563 179.5354 53 C 3.0728 7.5897 114.7456 62.2306 27.7420 176.5398 54 V 3.5116 7.7111 119.5997 66.0213 31.3149 177.9962 55 R 3.9193 7.9092 117.5470 59.1637 29.6382 178.9200 56 A 3.6069 7.1624 119.6180 54.9181 18.6915 178.9412 57 M 4.5413 8.1313 113.9430 56.7994 31.7021 178.3081 58 A 4.0134 7.5525 123.1279 54.9646 18.4053 177.4717 59 P 4.2560 0.0000 0.0000 64.2373 31.4512 176.5041 60 Y 4.6027 7.7129 114.1268 57.4790 38.9244 176.0187 61 L 4.4305 7.5592 120.2976 54.2476 42.6721 176.8564 62 E 4.2912 9.5978 121.8324 55.0853 30.2532 174.9062 63 P 4.5156 0.0000 0.0000 64.3227 31.9182 177.1193 64 G 4.0197 9.1208 110.9492 45.1573 0.0000 172.8641 65 E 4.9090 7.7870 119.0055 55.4457 30.8860 175.7543 66 G 4.4106 8.7230 108.8492 45.0753 0.0000 171.0181 67 S 5.2857 8.4990 112.4428 56.8172 66.5454 173.2957 68 L 4.7967 8.5276 119.6215 52.5954 45.7419 176.2900 69 G 4.2068 8.7506 109.6247 46.6559 0.0000 173.3738 70 T 4.7826 8.9017 113.7469 61.5878 71.0017 174.0196 71 A 4.6872 7.5958 122.0183 51.0336 22.5947 174.8920 72 I 5.1060 8.2556 120.0153 59.6158 41.6150 174.5207 73 C 4.5834 9.0576 129.5635 58.7494 34.0277 172.8446 74 V 5.1748 8.2943 118.6050 60.0411 35.7269 174.8367 75 T 4.6208 8.7375 112.3833 60.5652 71.6912 173.3701 76 H 5.3257 8.8100 122.4048 55.0729 31.2677 172.6502 77 T 4.6896 9.0594 115.1827 61.4396 69.8799 174.2570 78 A 4.5634 7.9362 122.9769 51.1500 22.0513 175.0961 79 A 4.8740 8.3428 121.9546 50.8973 21.7666 176.9800 80 T 4.6588 8.2591 115.5343 61.1648 71.9347 172.2098 81 P 4.9559 0.0000 0.0000 61.4069 33.2416 174.1408 82 P 4.3614 0.0000 0.0000 64.0938 31.7106 175.9776 83 G 4.0070 8.6255 111.7399 45.8507 0.0000 174.5561 84 L 4.2960 7.3694 119.6872 54.4764 43.6164 176.4206 85 T 4.6229 8.1664 118.0134 62.4678 70.1806 173.9815 86 V 4.3564 8.7490 127.9718 62.2409 33.4262 174.6510 87 T 4.9293 8.5864 124.5119 61.7271 71.2878 173.0702 88 V 4.7325 8.8359 127.0125 61.5155 33.9531 174.3274 89 T 5.0597 9.0510 124.5964 61.7131 71.1185 172.9369 90 A 5.2931 8.8736 128.3391 50.0840 21.7824 174.4500 91 E 5.2134 9.5900 124.2076 53.9728 32.7458 174.8356 92 L 3.2539 8.6250 129.9248 55.3928 42.3953 177.2730 93 R 4.3764 8.8160 125.5830 57.5327 32.1082 176.3589 94 S 4.4578 7.2814 110.8811 57.3042 66.5617 174.1828 95 V 4.5293 8.2680 122.2395 62.0493 33.4871 175.4063 96 E 4.4440 9.2084 126.1133 54.6238 30.8241 175.8911 97 G 3.9144 8.6019 122.0244 46.9259 0.0000 173.5609 98 R 4.4374 9.0774 125.3293 56.0813 30.1288 176.3863 99 R 5.1973 8.0082 119.9286 56.1203 31.9317 179.4808 100 L 5.0379 9.3126 124.2907 51.8711 45.3856 175.4151 101 S 5.1369 8.5600 117.4245 56.3289 65.1226 172.5148 102 W 5.1573 9.7258 127.5340 54.8947 32.0696 174.9629 103 R 4.7909 9.0743 125.1156 55.8938 30.9226 175.4500 104 V 5.2304 8.8325 119.7008 59.8579 35.3066 174.8273 105 S 5.2149 9.0532 117.1921 57.4804 67.0672 172.6118 106 A 5.7399 9.1297 121.3265 50.5961 22.7696 174.9951 107 H 5.3324 8.6744 116.0389 53.6335 32.3523 173.3421 108 D 5.3481 8.5864 119.3148 52.4110 39.3942 177.6721 109 G 4.0219 8.6886 108.8087 45.9078 0.0000 174.3732 110 V 4.1750 8.0161 116.2380 63.9275 33.3346 174.9773 111 D 5.0231 8.7170 118.5044 51.7195 44.3362 175.1387 112 E 4.4020 8.8208 121.2236 57.1306 29.8571 177.0153 113 I 4.4003 8.5521 117.1388 61.3378 40.0889 175.4036 114 G 4.6053 7.8596 107.9248 46.6093 0.0000 172.2825 115 S 5.0726 7.1499 112.8906 56.3266 66.6487 175.9064 116 G 4.3298 7.7479 109.3803 46.5395 0.0000 172.5322 117 T 5.3132 8.7005 114.2827 60.2353 72.6645 172.6051 118 H 5.5030 9.6476 122.7588 54.7226 33.7280 171.6664 119 E 5.3285 9.0019 124.2879 54.7639 32.6241 175.2502 120 R 5.1778 9.4586 121.1229 54.3757 35.1689 173.8827 121 A 5.1140 8.4447 123.0615 49.9947 21.8466 175.7823 122 V 4.3500 9.0206 124.0893 62.6511 32.2666 175.3989 123 I 4.6207 8.6571 123.5265 59.6004 41.2433 175.4893 *124 H 4.5729 8.6785 120.3407 54.2788 27.9406 176.8809 125 L 4.1424 9.0750 127.5931 57.2236 41.4862 179.7300 126 E 4.0370 8.1499 117.9104 58.8976 29.5694 178.9943 127 K 3.9003 8.0260 119.2967 59.5247 32.3462 178.2226 128 F 4.0743 8.3731 120.8700 61.5857 39.1859 176.7609 129 N 4.2315 8.5417 115.7437 56.2865 38.3344 177.2449 130 A 3.9302 8.0421 122.0964 54.9144 18.4927 179.7146 131 K 3.7692 7.9533 117.2250 59.7113 32.0620 180.0258 132 V 3.4986 7.4836 119.1077 64.4150 30.9965 178.2555 133 R 3.8122 7.7956 119.2589 59.3956 29.9366 177.9292 134 Q 4.0998 7.8245 118.7656 58.1549 29.1765 177.0608 135 K 4.3897 7.6115 117.1803 56.1038 33.2422 176.9110 136 T 3.8739 7.1857 118.5579 63.3518 68.7002 172.5591 137 P 4.3937 0.0000 0.0000 62.9510 31.2548 175.9074 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 5 M 8.40 3.58 0.00 1.60 1.29 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.13 0.00 6 R 8.28 4.16 0.00 1.77 1.79 0.00 3.34 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 7 V 8.34 3.69 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 0.91 0.00 0.00 0.79 0.00 0.00 8 G 8.83 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 0.00 0.00 0.00 9 E 8.08 4.24 0.00 2.13 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 2.40 2.27 0.00 10 R 8.71 5.41 0.00 1.87 2.00 0.00 3.03 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 1.55 1.63 0.00 11 F 9.23 5.11 0.00 3.19 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 12 T 7.55 4.85 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 1.04 0.00 0.00 13 H 8.67 4.47 0.00 2.75 2.84 0.00 5.75 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.40 5.24 0.00 2.46 2.43 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 0.00 15 F 8.50 4.44 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.73 3.86 1.75 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 0.57 0.00 0.00 0.75 0.00 0.00 17 V 8.11 3.48 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 0.47 0.00 0.00 0.23 0.00 0.00 18 P 0.00 4.60 0.00 1.69 1.98 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 19 P 0.00 4.25 0.00 2.05 2.15 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 20 H 7.80 4.25 0.00 3.08 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.65 3.78 0.00 1.88 1.80 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.15 1.61 7.81 22 T 7.77 5.24 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 1.35 0.00 0.00 23 V 8.62 3.31 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 0.04 0.00 0.00 1.04 0.00 0.00 24 R 7.99 4.06 0.00 1.80 1.97 0.00 3.39 0.00 0.00 3.68 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.75 0.00 25 H 8.03 4.48 0.00 3.61 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.71 3.86 0.00 1.19 1.59 -0.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.34 4.98 0.00 3.16 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 28 P 0.00 4.58 0.00 2.08 2.16 0.00 3.71 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 29 E 8.38 4.19 0.00 2.18 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 2.59 2.39 0.00 30 S 7.94 4.84 0.00 3.87 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 0.00 31 P 0.00 4.49 0.00 2.21 2.09 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 32 E 8.03 4.08 0.00 1.50 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 2.16 2.31 0.00 33 F 7.93 4.78 0.00 3.08 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 34 A 7.62 4.09 1.43 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 0.00 0.00 0.00 35 E 8.18 4.68 0.00 2.03 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 2.29 2.37 0.00 36 F 8.27 4.13 0.00 3.25 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 37 P 0.00 4.30 0.00 2.13 2.05 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 38 E 8.50 4.52 0.00 2.01 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 2.35 2.32 0.00 39 V 7.26 4.80 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 1.07 0.00 0.00 1.03 0.00 0.00 40 F 9.39 4.89 0.00 3.00 3.15 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 41 A 8.85 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.81 3.78 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 G 7.87 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 0.00 0.00 0.00 44 F 7.55 4.36 0.00 2.79 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 45 M 7.65 3.99 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 46 V 8.00 3.61 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 0.99 0.00 0.00 0.91 0.00 0.00 47 G 7.99 3.63 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 0.00 0.00 0.00 48 L 8.15 4.27 0.00 2.08 1.99 0.48 1.01 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 49 M 8.36 4.07 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 50 E 8.44 3.85 0.00 2.15 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 1.96 2.37 0.00 51 W 8.32 4.22 0.00 3.43 3.31 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 52 A 7.96 3.84 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 53 C 7.59 3.07 0.00 2.67 1.76 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 54 V 7.71 3.51 2.31 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 0.84 0.00 0.00 0.93 0.00 0.00 55 R 7.91 3.92 0.00 1.67 1.54 0.00 3.12 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 56 A 7.16 3.61 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 57 M 8.13 4.54 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.91 0.00 58 A 7.55 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.26 0.00 1.16 1.78 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 60 Y 7.71 4.60 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.56 4.43 0.00 1.64 1.62 1.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.60 4.29 0.00 2.05 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 2.47 2.44 0.00 63 P 0.00 4.52 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 64 G 9.12 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 65 E 7.79 4.91 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 66 G 8.72 4.41 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 0.00 67 S 8.50 5.29 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.53 4.80 0.00 1.40 1.42 -0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.75 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 0.00 0.00 0.00 0.00 70 T 8.90 4.78 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 1.22 0.00 0.00 71 A 7.60 4.69 1.24 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 72 I 8.26 5.11 1.91 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 1.21 0.87 0.92 0.00 0.00 73 C 9.06 4.58 0.00 3.04 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 74 V 8.29 5.17 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 0.81 0.00 0.00 0.92 0.00 0.00 75 T 8.74 4.62 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 1.24 0.00 0.00 76 H 8.81 5.33 0.00 3.12 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.06 4.69 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 1.25 0.00 0.00 78 A 7.94 4.56 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.34 4.87 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 80 T 8.26 4.66 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 1.17 0.00 0.00 81 P 0.00 4.96 0.00 2.11 2.19 0.00 3.71 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 2.06 2.00 0.00 82 P 0.00 4.36 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 G 8.63 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.37 4.30 0.00 1.69 1.64 0.90 0.59 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 85 T 8.17 4.62 4.15 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 1.10 0.00 0.00 86 V 8.75 4.36 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 0.99 0.00 0.00 0.70 0.00 0.00 87 T 8.59 4.93 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 1.10 0.00 0.00 88 V 8.84 4.73 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 0.95 0.00 0.00 0.95 0.00 0.00 89 T 9.05 5.06 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 1.24 0.00 0.00 90 A 8.87 5.29 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 91 E 9.59 5.21 0.00 2.07 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 2.21 2.25 0.00 92 L 8.63 3.25 0.00 0.80 1.12 -0.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.82 4.38 0.00 1.72 1.89 0.00 3.39 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 94 S 7.28 4.46 0.00 3.77 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 95 V 8.27 4.53 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 0.71 0.00 0.00 0.74 0.00 0.00 96 E 9.21 4.44 0.00 1.91 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 2.16 2.10 0.00 97 G 8.60 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 98 R 9.08 4.44 0.00 1.73 1.89 0.00 3.22 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 99 R 8.01 5.20 0.00 1.49 1.82 0.00 3.17 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 100 L 9.31 5.04 0.00 1.61 1.24 0.97 0.74 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 0.00 101 S 8.56 5.14 0.00 3.94 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 0.00 102 W 9.73 5.16 0.00 3.41 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 0.00 103 R 9.07 4.79 0.00 1.94 1.88 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 104 V 8.83 5.23 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 0.77 0.00 0.00 1.02 0.00 0.00 105 S 9.05 5.21 0.00 3.95 3.94 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 0.00 106 A 9.13 5.74 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 0.00 107 H 8.67 5.33 0.00 3.22 3.48 0.00 5.43 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.59 5.35 0.00 2.72 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 0.00 109 G 8.69 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 0.00 110 V 8.02 4.18 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.72 5.02 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.40 0.00 1.98 1.95 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 2.33 2.27 0.00 113 I 8.55 4.40 2.16 0.00 0.00 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 1.28 1.34 1.10 0.00 0.00 114 G 7.86 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.15 5.07 0.00 4.01 3.96 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 0.00 116 G 7.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.70 5.31 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 118 H 9.65 5.50 0.00 3.19 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.00 5.33 0.00 1.95 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 2.25 2.27 0.00 120 R 9.46 5.18 0.00 1.77 1.87 0.00 3.05 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 1.44 1.59 0.00 121 A 8.44 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.02 4.35 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 0.90 0.00 0.00 1.02 0.00 0.00 123 I 8.66 4.62 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 0.66 0.00 0.00 *124 H 8.68 4.57 0.00 2.86 3.03 0.00 7.20 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.08 4.14 0.00 1.81 1.80 0.93 0.72 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 0.00 126 E 8.15 4.04 0.00 2.00 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 2.42 2.32 0.00 127 K 8.03 3.90 0.00 1.86 1.99 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 128 F 8.37 4.07 0.00 3.22 3.27 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 0.00 129 N 8.54 4.23 0.00 2.95 2.86 0.00 0.00 6.95 6.91 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 0.00 130 A 8.04 3.93 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 0.00 131 K 7.95 3.77 0.00 1.72 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.41 7.81 132 V 7.48 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 0.38 0.00 0.00 0.85 0.00 0.00 133 R 7.80 3.81 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 134 Q 7.82 4.10 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 135 K 7.61 4.39 0.00 1.95 1.85 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.42 7.81 136 T 7.19 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 P 0.00 4.39 0.00 2.05 1.99 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.