NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7421 8.4444 117.3708 54.3287 29.6030 172.0251 7 R 4.7550 8.2329 124.4454 52.8018 33.2989 172.9467 8 L 4.5981 8.9242 126.9829 54.1172 42.7310 176.9862 9 S 4.5064 9.0419 118.5338 57.5209 64.6000 175.2821 10 A 3.9998 8.6077 121.3403 55.0010 17.9848 179.8287 11 E 4.0935 8.0628 117.0409 59.5425 29.2133 178.7762 12 E 3.9575 7.8695 118.7229 59.5656 29.4574 179.4299 13 R 3.9246 8.1135 117.8753 59.6971 29.9951 178.4597 14 D 4.4026 7.6460 116.4869 58.0627 40.9551 179.2084 15 Q 4.1705 8.0152 116.9962 57.7341 28.6846 177.2996 16 L 4.5685 7.5965 117.8725 56.1118 43.6049 178.7910 17 L 3.9006 8.1557 119.2817 57.0865 41.5520 177.7102 18 P 4.2674 0.0000 0.0000 66.2050 30.9598 178.1906 19 N 4.3931 8.1688 114.5699 55.6205 38.6731 177.0450 20 L 4.2211 7.3991 120.2801 57.8216 41.9293 178.9856 21 R 4.9305 8.6735 120.1306 59.0286 29.6983 178.1373 22 A 4.2207 8.1338 119.0052 54.0296 18.2866 178.3581 23 V 4.2300 8.0578 109.8049 61.3910 32.0157 176.6185 24 G 3.8768 8.1824 107.4148 44.6685 0.0000 173.9769 25 W 4.5628 8.2482 120.7701 55.9391 30.4331 175.0639 26 N 5.3950 9.3232 122.8286 51.4325 41.1341 174.4195 27 E 4.8268 8.8214 120.8723 56.2523 30.8306 175.6234 28 L 4.6313 8.1829 123.7539 53.0996 44.4395 175.7380 29 E 4.0587 8.6840 125.6201 58.0225 29.8160 176.1057 30 G 4.2579 9.0485 117.6358 45.8232 0.0000 173.7478 31 R 4.0548 6.8991 120.4667 55.6427 30.8463 176.5389 32 D 4.5844 8.4023 124.0663 52.7251 39.8319 174.3416 33 A 5.0226 7.6177 125.3084 50.3239 23.7728 174.3552 34 I 5.3266 8.6636 110.7779 59.9511 41.5104 174.2809 35 F 6.0110 9.7569 124.5331 57.3021 43.6867 172.7415 36 K 3.8982 6.6045 119.7561 55.2456 35.0349 173.5342 37 Q 4.8904 7.8913 125.3099 54.3258 30.7221 174.8698 38 F 4.5221 9.3752 122.0839 55.7908 42.2986 173.9227 39 H 5.2900 8.4000 119.3213 54.0498 31.8224 172.6540 40 F 4.9684 8.3936 119.5734 55.3273 42.2958 175.5926 41 K 4.1620 8.4700 118.1629 59.5847 32.2013 176.8046 42 D 4.2729 7.4438 115.9453 51.0444 42.1105 175.5305 43 F 4.0114 7.8478 121.0936 60.7642 39.1958 176.0499 44 N 3.9794 8.1356 116.2609 56.9025 38.5090 176.5902 45 R 3.6709 7.7819 119.2571 59.2526 30.1614 178.3373 46 A 3.1170 7.3659 120.2023 54.5694 18.1947 179.4576 47 F 3.8545 8.3391 120.2944 61.0927 39.5105 177.3570 48 G 3.5437 7.7510 105.4121 47.8185 0.0000 175.2223 49 F 3.9894 8.0824 123.3770 61.2333 39.2812 176.8740 50 M 3.5347 7.8925 118.5714 58.7521 31.5684 178.9575 51 T 3.4231 7.4408 115.8137 66.5892 68.4490 176.9932 52 R 3.9245 7.6150 119.6908 59.0402 30.0839 179.2666 53 V 3.7314 7.8564 118.1214 65.6747 31.3502 177.7119 54 A 4.0111 8.7540 121.7324 55.3093 18.2511 179.1952 55 L 3.8418 7.9205 117.2095 58.3682 41.8084 179.9671 56 Q 3.5971 7.5953 116.8354 58.8741 28.4616 178.9127 57 A 4.1442 7.7380 122.8782 54.3326 18.0398 179.6681 58 E 3.8189 7.5900 116.3450 59.2919 29.7983 178.5430 59 K 3.8788 7.5306 118.3110 59.9045 31.6753 178.1916 60 L 4.0580 8.3809 118.5096 54.8518 41.4611 176.9365 61 D 4.3040 8.1099 117.1260 55.2888 40.0437 172.5918 62 H 4.8558 7.4749 112.8823 54.0638 32.4869 171.4913 63 H 4.6643 8.3225 123.4289 52.9844 31.2366 172.0452 64 P 4.4150 0.0000 0.0000 62.6219 32.8262 175.0802 65 E 4.8520 9.0067 120.1372 54.4548 31.2781 175.5083 66 W 6.1634 9.0920 120.8472 54.9335 31.9065 174.0893 67 F 5.1375 9.7025 123.1144 56.6142 42.1954 173.1130 68 N 5.8930 8.0440 122.8225 50.6680 42.2551 173.5666 69 V 4.1696 7.8182 123.7017 62.2664 36.3637 175.9012 70 Y 3.6174 9.1149 126.7774 58.9857 39.4654 171.5822 71 N 4.8009 9.4749 116.1140 52.4230 39.0085 174.5081 72 K 5.0804 8.6804 120.1612 54.9360 34.9817 175.3394 73 V 5.0158 9.2524 124.3161 61.5532 34.6503 173.6378 74 H 5.4787 9.7472 125.5514 54.1975 31.4752 173.4218 75 I 5.4749 8.3648 123.3451 59.9344 41.2695 174.6284 76 T 5.6775 9.2126 121.4850 62.0119 72.6770 172.9831 77 L 5.1337 8.9851 124.6218 53.3386 45.7681 175.5196 78 S 4.8766 8.4785 115.6547 58.0300 65.9914 173.3884 79 T 4.5963 8.5465 119.7529 62.2330 70.1844 175.6286 80 H 4.3423 8.9883 123.4964 58.4399 29.4910 176.3401 81 E 4.1021 8.4456 118.1543 59.1141 29.5683 177.6100 82 C 4.3750 8.0351 110.4997 57.1464 30.8218 175.0773 83 A 3.9483 8.0089 121.5545 52.3980 17.6332 177.2296 84 G 4.2604 7.2754 101.2603 44.5661 0.0000 172.0560 85 L 4.8646 8.8474 120.1979 54.9081 43.2841 176.6559 86 S 4.6182 9.5274 116.3186 55.8608 66.8715 173.9807 87 E 3.7534 9.1878 117.5275 60.0740 28.7027 179.8390 88 R 4.1135 7.6891 116.7471 59.6069 30.3040 178.0918 89 D 4.4372 8.1004 117.8703 57.7260 40.8228 179.1974 90 I 3.5012 7.3376 119.0649 64.5409 37.0561 178.3632 91 N 4.3370 8.9571 118.2577 56.1695 38.2443 177.3265 92 L 3.9731 9.7382 121.5019 57.8660 42.2011 178.6583 93 A 3.7168 8.2141 121.2587 55.2687 18.1217 179.8223 94 S 4.1481 8.0369 113.6072 61.4759 62.8007 176.7706 95 F 3.9990 7.9452 123.5198 61.3297 39.1842 177.0405 96 I 3.7372 8.5927 119.8822 64.6897 37.0638 178.0487 97 E 4.2064 8.9385 119.4537 59.7857 29.1404 179.3568 98 Q 3.9492 7.9473 118.2067 58.9423 29.2436 178.0573 99 V 3.6154 7.6327 119.2052 65.4041 30.1904 177.6820 100 A 4.0279 8.7217 121.0174 55.4023 18.0270 179.6692 101 V 3.7175 7.5521 114.8456 65.4364 31.4583 177.9379 102 S 4.4221 7.9868 113.5149 62.0182 63.6372 174.9857 103 M 3.7914 7.4886 119.5665 54.2176 32.7728 176.6920 104 T 3.7903 8.0882 111.5604 62.4430 70.1146 172.0310 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 *6 H 8.44 4.74 0.00 2.95 2.94 0.00 7.11 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 7 R 8.23 4.76 0.00 1.82 1.75 0.00 3.20 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.83 0.00 8 L 8.92 4.60 0.00 1.53 1.58 0.89 0.77 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 9 S 9.04 4.51 0.00 3.94 4.04 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 10 A 8.61 4.00 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 11 E 8.06 4.09 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 2.39 2.34 0.00 12 E 7.87 3.96 0.00 2.18 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 2.32 2.36 0.00 13 R 8.11 3.92 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 14 D 7.65 4.40 0.00 2.92 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 15 Q 8.02 4.17 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 16 L 7.60 4.57 0.00 1.66 1.61 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.16 3.90 0.00 1.87 1.74 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.27 0.00 2.35 2.33 0.00 3.42 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 19 N 8.17 4.39 0.00 2.73 2.95 0.00 0.00 6.93 7.85 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 20 L 7.40 4.22 0.00 1.86 1.69 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.67 4.93 0.00 2.19 2.00 0.00 3.18 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 22 A 8.13 4.22 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 23 V 8.06 4.23 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 0.78 0.00 0.00 1.27 0.00 0.00 24 G 8.18 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 0.00 0.00 0.00 25 W 8.25 4.56 0.00 3.27 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 26 N 9.32 5.40 0.00 2.69 2.75 0.00 0.00 6.59 7.24 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 27 E 8.82 4.83 0.00 1.90 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 2.38 2.39 0.00 28 L 8.18 4.63 0.00 1.96 1.72 0.76 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.68 4.06 0.00 1.95 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 2.28 0.00 30 G 9.05 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 0.00 0.00 0.00 0.00 31 R 6.90 4.05 0.00 1.82 1.86 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 32 D 8.40 4.58 0.00 2.80 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 33 A 7.62 5.02 1.33 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 34 I 8.66 5.33 2.38 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 1.04 0.00 0.00 35 F 9.76 6.01 0.00 3.17 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 36 K 6.60 3.90 0.00 0.79 0.74 0.00 0.72 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.45 7.81 37 Q 7.89 4.89 0.00 1.82 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 38 F 9.38 4.52 0.00 3.00 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 0.00 0.00 0.00 0.00 39 H 8.40 5.29 0.00 2.77 3.08 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.39 4.97 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 41 K 8.47 4.16 0.00 1.88 1.92 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 42 D 7.44 4.27 0.00 2.85 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 43 F 7.85 4.01 0.00 2.65 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 44 N 8.14 3.98 0.00 2.76 2.88 0.00 0.00 6.83 7.65 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 45 R 7.78 3.67 0.00 2.01 1.68 0.00 3.35 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 46 A 7.37 3.12 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 47 F 8.34 3.85 0.00 1.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.54 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 0.00 0.00 0.00 49 F 8.08 3.99 0.00 2.48 2.61 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 50 M 7.89 3.53 0.00 1.33 1.63 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.81 0.00 51 T 7.44 3.42 4.08 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 1.09 0.00 0.00 52 R 7.61 3.92 0.00 1.84 2.08 0.00 3.10 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 53 V 7.86 3.73 2.33 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 0.91 0.00 0.00 0.28 0.00 0.00 54 A 8.75 4.01 1.38 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 55 L 7.92 3.84 0.00 1.79 1.68 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.60 3.60 0.00 1.61 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 57 A 7.74 4.14 1.19 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 0.00 0.00 58 E 7.59 3.82 0.00 1.99 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 2.45 0.00 59 K 7.53 3.88 0.00 1.72 1.94 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.43 7.81 60 L 8.38 4.06 0.00 1.60 1.59 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.11 4.30 0.00 2.72 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 62 H 7.47 4.86 0.00 3.14 3.00 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.32 4.66 0.00 3.00 3.02 0.00 5.95 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 64 P 0.00 4.41 0.00 1.38 1.58 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 9.01 4.85 0.00 2.19 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 2.31 2.30 0.00 66 W 9.09 6.16 0.00 3.50 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 67 F 9.70 5.14 0.00 3.24 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 68 N 8.04 5.89 0.00 2.57 2.43 0.00 0.00 7.03 7.71 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 69 V 7.82 4.17 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 0.95 0.00 0.00 0.81 0.00 0.00 70 Y 9.11 3.62 0.00 3.08 2.61 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 71 N 9.47 4.80 0.00 3.07 2.77 0.00 0.00 5.81 6.42 0.00 0.00 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 K 8.68 5.08 0.00 1.71 1.73 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.07 1.36 7.81 73 V 9.25 5.02 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 1.18 0.00 0.00 1.14 0.00 0.00 74 H 9.75 5.48 0.00 3.44 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.36 5.47 2.17 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 1.29 0.00 0.00 76 T 9.21 5.68 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 1.40 0.00 0.00 77 L 8.99 5.13 0.00 1.58 1.61 0.66 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.48 4.88 0.00 3.86 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 79 T 8.55 4.60 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 1.21 0.00 0.00 80 H 8.99 4.34 0.00 3.16 3.42 0.00 5.92 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.45 4.10 0.00 1.96 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 2.35 2.36 0.00 82 C 8.04 4.38 0.00 3.07 3.14 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 83 A 8.01 3.95 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 84 G 7.28 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 0.00 0.00 0.00 0.00 85 L 8.85 4.86 0.00 1.60 1.57 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.53 4.62 0.00 3.73 3.99 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 87 E 9.19 3.75 0.00 1.97 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 2.38 2.41 0.00 88 R 7.69 4.11 0.00 1.42 1.80 0.00 3.01 0.00 0.00 3.24 7.54 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 D 8.10 4.44 0.00 2.90 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 90 I 7.34 3.50 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.90 0.83 0.00 0.00 91 N 8.96 4.34 0.00 2.58 2.84 0.00 0.00 6.76 6.62 0.00 0.00 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 9.74 3.97 0.00 1.72 1.61 0.79 0.95 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 93 A 8.21 3.72 0.53 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 0.00 0.00 0.00 94 S 8.04 4.15 0.00 3.91 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 95 F 7.95 4.00 0.00 3.11 3.21 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 96 I 8.59 3.74 2.42 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 1.71 0.92 1.17 0.00 0.00 97 E 8.94 4.21 0.00 2.29 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 0.00 2.95 2.74 0.00 98 Q 7.95 3.95 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 99 V 7.63 3.62 1.53 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 1.06 0.00 0.00 0.00 0.00 0.00 100 A 8.72 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 0.00 101 V 7.55 3.72 2.34 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 0.90 0.00 0.00 0.99 0.00 0.00 102 S 7.99 4.42 0.00 4.04 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 0.00 103 M 7.49 3.79 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 104 T 8.09 3.79 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.