NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2345 8.3449 119.6745 55.4864 30.1807 174.4863 2 V 3.7116 7.7893 114.1993 59.5099 32.5489 174.3152 3 Q 4.4423 9.0518 122.8096 54.7489 32.4217 172.8090 4 L 4.9977 8.5763 123.2773 52.9212 43.9328 175.7637 5 V 4.4099 9.0742 124.2866 61.0260 33.7396 174.6076 6 A 5.1384 8.6991 129.5438 51.9285 20.5144 175.8813 7 S 4.4574 9.0450 115.0136 58.0240 68.1977 174.3788 8 G 4.1418 8.7688 108.8320 45.0687 0.0000 174.0298 9 G 3.8938 7.8835 103.5681 45.1162 0.0000 173.2316 10 G 3.7647 6.5705 105.7008 44.7638 0.0000 172.4147 11 S 5.3697 8.2918 119.2069 56.5282 65.5851 174.3315 12 V 4.5792 9.0198 122.9127 59.7923 35.5550 173.9755 13 Q 4.5967 8.4726 121.3112 54.5636 30.7276 174.5714 14 A 4.1767 8.6351 127.4682 54.2529 18.5680 176.8400 15 G 4.0615 8.8482 112.5664 45.9309 0.0000 174.1321 16 G 3.9571 8.8083 107.6826 46.2813 0.0000 172.5762 17 S 5.1435 8.3649 113.7393 56.7514 67.3533 173.6618 18 L 4.8770 8.4773 121.4904 52.9521 46.5191 175.6498 19 R 4.6914 8.1859 120.6596 54.5725 32.9669 174.2662 20 L 4.6297 8.2815 127.0941 54.3795 43.3451 176.3848 21 S 5.2750 8.7726 117.1429 57.1604 67.6456 172.6339 22 C 5.3194 8.9588 121.9014 55.5202 44.9179 172.8858 23 A 5.1599 9.2550 128.1492 50.5933 21.8553 174.7754 24 A 5.5834 8.2938 118.8605 51.3860 22.2880 176.9482 25 S 4.4100 8.1525 114.2840 56.3439 62.6444 173.2370 *28 T 4.1575 7.9498 116.4880 62.2317 70.2771 174.3492 29 F 5.3211 8.7438 123.8921 56.0127 41.9917 174.6947 30 S 4.8913 8.9615 107.5382 56.5423 62.2426 173.8274 31 S 4.5770 7.9388 118.6822 58.6283 63.8389 173.9198 32 Y 5.0779 7.7515 116.4667 56.4417 41.8021 172.9372 33 P 4.6848 0.0000 0.0000 63.6368 32.6963 175.1089 34 M 4.9979 9.0721 121.0514 53.9644 36.3873 174.6033 35 G 4.3396 9.3098 108.0317 45.1570 0.0000 171.3293 36 W 5.4973 9.2217 120.0622 55.0307 31.9256 174.9797 37 Y 5.2929 9.5658 122.2890 56.1087 41.3915 174.8515 38 R 4.8142 9.1165 117.8059 54.6190 33.1388 174.3553 39 Q 4.8703 9.1298 120.6632 53.9870 31.0479 174.1713 40 A 4.4595 8.3457 126.2288 49.9974 20.3962 174.7657 41 P 4.0760 0.0000 0.0000 64.5674 31.3166 176.3103 42 G 3.9339 8.8768 110.9500 46.3060 0.0000 172.7773 43 K 4.6547 7.6360 118.2208 54.0178 35.6944 175.3355 44 E 4.3103 8.4341 121.6359 55.5858 30.3855 177.3383 45 C 4.6421 8.4292 121.5315 57.0012 43.2727 172.4143 46 E 4.8183 8.9929 125.1315 54.1720 33.1429 173.9518 47 L 3.5768 8.5662 128.8949 55.2994 42.1913 176.2974 48 S 4.4834 9.5075 122.5787 60.9384 63.3520 173.5085 49 A 5.0089 7.7313 118.9236 51.0452 22.7339 174.5528 50 R 4.8454 8.3380 118.3830 54.7018 34.3075 173.6361 51 I 4.8622 8.8835 125.1469 59.3102 41.0808 175.0074 52 F 4.8451 8.9628 128.1220 56.2521 40.7076 176.8667 53 S 4.1061 9.1854 114.8531 61.8044 61.8938 175.3213 54 D 4.4429 8.0797 116.4975 54.6263 39.1872 176.9100 55 G 4.0470 8.5295 109.7198 45.2213 0.0000 174.0503 56 S 4.4310 7.7105 114.0609 58.4896 63.7141 172.5918 57 A 5.2341 8.1932 121.1456 50.8888 22.4462 174.9524 58 N 5.2152 8.5560 115.7744 51.9882 42.4419 173.6058 59 Y 5.3515 8.2995 116.7569 56.3304 42.4086 174.8871 60 A 4.2525 9.1003 125.7297 51.9165 19.4795 178.5975 61 D 4.3693 8.9674 120.6323 56.2580 39.5953 178.7085 62 S 4.2999 7.9756 112.7365 59.8194 63.4779 174.7738 63 V 3.7235 7.5223 113.0530 60.1194 32.7930 175.3181 64 K 3.6188 7.1969 120.8189 58.0637 32.2207 175.5539 65 G 4.0567 8.5846 114.3695 45.5168 0.0000 174.4665 66 R 4.2170 7.5322 117.5598 57.8236 30.9013 176.0043 67 F 5.5281 7.9253 115.3298 56.2900 41.0380 176.0417 68 T 4.7570 9.1018 119.1111 61.9757 71.4735 172.9353 69 I 5.0778 9.2559 128.0694 60.3021 39.6618 174.5827 70 S 4.9903 8.9872 121.4817 57.5431 67.0270 172.9062 71 R 5.1061 8.4040 115.8425 55.0136 31.3562 174.9224 72 D 4.5234 9.3912 122.9481 55.1966 41.3862 177.7263 73 N 4.6898 8.7221 120.5672 54.4909 37.5347 176.3620 74 A 3.9337 8.0915 118.3665 55.0509 18.5964 178.2403 75 A 4.2796 8.0526 115.5691 52.2193 19.4205 176.6506 76 N 4.3402 7.7521 112.7753 54.6301 36.8533 173.6674 77 T 4.9301 7.7544 105.7871 59.7712 72.5162 172.4212 78 A 5.1486 8.5610 125.4700 50.5369 21.9287 175.1373 79 Y 5.3851 9.1819 118.3507 56.3073 42.7056 175.1231 80 L 4.6568 8.4729 122.7014 53.7581 44.8970 174.8104 81 Q 4.4656 9.1082 127.1363 55.1536 30.3181 174.9345 82 M 4.3749 8.4689 124.7918 53.4542 33.9224 175.0190 82A D 5.2605 8.3815 122.6265 51.4548 44.4600 176.0069 82B S 3.7002 8.4046 114.1068 59.7880 60.3136 173.0889 82C L 4.5088 7.7624 120.2914 54.6782 42.7235 177.2919 83 K 4.9876 9.5440 121.6795 53.5268 35.3023 175.4138 84 P 4.1568 0.0000 0.0000 66.2294 30.9768 178.1592 85 E 3.6920 8.3469 116.8737 59.3124 29.3649 177.8569 86 D 4.7020 8.7003 117.3448 56.0337 41.0863 176.6822 87 T 4.3339 8.6165 117.8457 63.2990 69.0377 173.8246 88 A 4.3875 8.3532 127.9433 52.0540 23.6148 174.8803 89 V 4.5323 7.5469 119.1086 62.5991 33.2117 174.3916 90 Y 5.1707 9.0701 124.9790 56.4694 40.9047 174.1731 91 Y 5.0904 9.6426 121.3626 56.3576 41.5122 173.8313 92 C 4.4320 8.9084 123.0996 55.4462 43.6820 172.0356 93 A 5.7632 8.9432 126.8940 50.7096 22.6976 174.3561 94 A 4.6132 8.9005 120.1391 51.7116 23.4738 175.3226 95 G 4.0675 8.2776 105.9003 43.3232 0.0000 172.7759 96 P 3.7868 0.0000 0.0000 62.9495 32.0228 177.2571 97 G 3.7336 8.9465 107.0708 44.4870 0.0000 172.3403 98 S 4.8652 8.0812 111.6188 56.5562 66.1046 173.3989 99 G 4.0271 9.0803 109.9742 45.1715 0.0000 170.9668 100 K 5.4132 8.5629 117.2203 54.7691 36.6038 175.7805 100A L 4.8101 8.6184 125.2619 53.4148 44.3989 175.3394 100B V 4.4615 8.4606 127.1099 61.5595 32.3537 174.7318 100C V 4.1950 8.6512 128.4097 62.1640 33.9196 175.4616 100D A 3.8104 9.6782 129.1479 53.3753 15.9524 177.2303 100E G 3.9442 8.2360 104.3798 46.5850 0.0000 173.5034 100F R 4.8566 8.4607 118.4982 54.0766 33.9660 174.5443 100G T 4.8574 8.4051 111.5923 59.9768 71.2342 173.6106 100H C 4.6569 8.9917 125.8238 54.9327 45.9986 172.0095 100I Y 4.7575 8.7140 124.4334 56.8162 37.9377 174.3563 100J G 3.9007 9.1240 118.9862 44.5217 0.0000 171.7182 100K P 4.6111 0.0000 0.0000 62.5739 29.9970 175.4515 101 N 3.3397 7.2952 117.0973 54.0148 38.8357 174.0619 102 Y 4.3992 6.3849 113.7595 56.1028 40.2132 174.5193 103 W 5.7373 8.4036 122.0091 55.2663 33.5074 175.2763 104 G 4.2037 8.6492 108.7548 45.6495 0.0000 173.8718 105 Q 4.5083 8.9491 119.1528 55.3621 29.2059 175.3897 106 G 3.4131 8.2350 107.4206 45.4667 0.0000 173.0357 107 T 4.5482 8.6805 115.9603 59.7302 70.6842 172.8687 108 Q 4.4563 8.7748 130.3665 56.2554 30.7983 174.7407 109 V 4.7607 8.8764 125.2589 61.5036 35.0159 174.0305 110 T 4.9013 9.4857 125.1985 61.7039 71.6853 174.6490 111 V 4.6979 8.2491 124.8655 62.2170 31.6037 175.0243 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 Q 8.34 4.23 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 2 V 7.79 3.71 1.52 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 0.27 0.00 0.00 -0.25 0.00 0.00 3 Q 9.05 4.44 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 4 L 8.58 5.00 0.00 1.56 1.60 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.07 4.41 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 0.84 0.00 0.00 0.92 0.00 0.00 6 A 8.70 5.14 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 7 S 9.05 4.46 0.00 3.73 3.78 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 8 G 8.77 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 9 G 7.88 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.57 3.76 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 0.00 0.00 0.00 11 S 8.29 5.37 0.00 3.83 3.82 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 12 V 9.02 4.58 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 0.64 0.00 0.00 0.90 0.00 0.00 13 Q 8.47 4.60 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 14 A 8.64 4.18 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 15 G 8.85 4.06 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 0.00 16 G 8.81 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 0.00 0.00 0.00 17 S 8.36 5.14 0.00 3.67 3.67 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 18 L 8.48 4.88 0.00 1.30 1.27 0.76 0.63 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 19 R 8.19 4.69 0.00 1.74 1.69 0.00 3.20 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 20 L 8.28 4.63 0.00 0.55 0.96 0.14 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.77 5.27 0.00 3.83 3.72 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 22 C 8.96 5.32 0.00 2.82 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 23 A 9.26 5.16 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 24 A 8.29 5.58 1.13 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 25 S 8.15 4.41 0.00 3.73 3.74 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 *28 T 7.95 4.16 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 1.19 0.00 0.00 29 F 8.74 5.32 0.00 3.04 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 30 S 8.96 4.89 0.00 4.04 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 31 S 7.94 4.58 0.00 3.64 3.71 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 32 Y 7.75 5.08 0.00 2.90 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 33 P 0.00 4.68 0.00 1.98 2.09 0.00 3.95 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 34 M 9.07 5.00 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 35 G 9.31 4.34 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 0.00 36 W 9.22 5.50 0.00 3.36 3.30 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 37 Y 9.57 5.29 0.00 2.78 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 38 R 9.12 4.81 0.00 0.86 0.85 0.00 2.54 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 39 Q 9.13 4.87 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 40 A 8.35 4.46 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 41 P 0.00 4.08 0.00 2.20 2.14 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 42 G 8.88 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 43 K 7.64 4.65 0.00 1.68 1.63 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.43 7.81 44 E 8.43 4.31 0.00 2.01 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 2.31 2.25 0.00 45 C 8.43 4.64 0.00 2.87 2.92 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 46 E 8.99 4.82 0.00 2.05 1.70 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 2.18 2.23 0.00 47 L 8.57 3.58 0.00 1.42 1.44 -0.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.51 4.48 0.00 4.08 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 49 A 7.73 5.01 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 50 R 8.34 4.85 0.00 1.65 1.43 0.00 2.54 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 51 I 8.88 4.86 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.99 0.00 0.00 52 F 8.96 4.85 0.00 3.19 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 53 S 9.19 4.11 0.00 3.84 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 54 D 8.08 4.44 0.00 2.84 2.79 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 55 G 8.53 4.05 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 0.00 56 S 7.71 4.43 0.00 3.92 4.10 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 57 A 8.19 5.23 1.09 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 0.00 0.00 58 N 8.56 5.22 0.00 2.60 2.70 0.00 0.00 7.14 7.63 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 59 Y 8.30 5.35 0.00 2.83 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 60 A 9.10 4.25 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 61 D 8.97 4.37 0.00 2.91 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 62 S 7.98 4.30 0.00 3.93 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 63 V 7.52 3.72 0.67 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 0.06 0.00 0.00 0.99 0.00 0.00 64 K 7.20 3.62 0.00 1.89 1.82 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.32 7.81 65 G 8.58 4.06 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 0.00 66 R 7.53 4.22 0.00 1.82 2.28 0.00 3.31 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 67 F 7.93 5.53 0.00 2.79 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 68 T 9.10 4.76 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 1.32 0.00 0.00 69 I 9.26 5.08 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.90 0.00 0.00 70 S 8.99 4.99 0.00 4.06 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 71 R 8.40 5.11 0.00 1.85 1.97 0.00 3.09 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 72 D 9.39 4.52 0.00 2.76 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 73 N 8.72 4.69 0.00 2.98 3.01 0.00 0.00 7.06 7.54 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 74 A 8.09 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 75 A 8.05 4.28 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 76 N 7.75 4.34 0.00 2.99 2.83 0.00 0.00 6.36 6.93 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 77 T 7.75 4.93 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 1.23 0.00 0.00 78 A 8.56 5.15 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 79 Y 9.18 5.39 0.00 2.95 2.84 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 80 L 8.47 4.66 0.00 0.29 0.25 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.11 4.47 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 82 M 8.47 4.37 0.00 0.86 1.38 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.00 82A D 8.38 5.26 0.00 2.67 2.53 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 82B S 8.40 3.70 0.00 4.03 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 82C L 7.76 4.51 0.00 1.69 1.62 0.81 1.38 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 83 K 9.54 4.99 0.00 1.74 1.99 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.35 7.81 84 P 0.00 4.16 0.00 2.23 2.36 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 85 E 8.35 3.69 0.00 1.98 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 0.00 2.33 2.43 0.00 86 D 8.70 4.70 0.00 2.89 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 87 T 8.62 4.33 4.32 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 1.26 0.00 0.00 88 A 8.35 4.39 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 89 V 7.55 4.53 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 0.67 0.00 0.00 0.96 0.00 0.00 90 Y 9.07 5.17 0.00 3.04 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 91 Y 9.64 5.09 0.00 2.75 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 92 C 8.91 4.43 0.00 2.46 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 93 A 8.94 5.76 1.58 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 0.00 0.00 94 A 8.90 4.61 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 95 G 8.28 4.07 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 0.00 0.00 0.00 96 P 0.00 3.79 0.00 1.60 0.49 0.00 3.57 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 97 G 8.95 3.73 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 0.00 0.00 0.00 98 S 8.08 4.87 0.00 3.98 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 99 G 9.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 5.41 0.00 1.50 1.40 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.90 1.35 7.81 100A L 8.62 4.81 0.00 0.31 0.76 -0.53 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 100B V 8.46 4.46 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 0.82 0.00 0.00 0.85 0.00 0.00 100C V 8.65 4.20 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 0.96 0.00 0.00 0.67 0.00 0.00 100D A 9.68 3.81 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 100E G 8.24 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 0.00 0.00 0.00 100F R 8.46 4.86 0.00 1.71 1.75 0.00 3.21 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 100G T 8.41 4.86 3.89 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 0.00 0.00 1.13 0.00 0.00 100H C 8.99 4.66 0.00 2.52 2.27 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 100I Y 8.71 4.76 0.00 2.93 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 100J G 9.12 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 100K P 0.00 4.61 0.00 2.36 2.22 0.00 4.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 101 N 7.30 3.34 0.00 1.59 1.72 0.00 0.00 7.15 7.46 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 0.00 102 Y 6.38 4.40 0.00 2.80 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 0.00 103 W 8.40 5.74 0.00 3.17 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 0.00 104 G 8.65 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 0.00 0.00 0.00 0.00 105 Q 8.95 4.51 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 106 G 8.23 3.41 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 0.00 107 T 8.68 4.55 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 1.34 0.00 0.00 108 Q 8.77 4.46 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 109 V 8.88 4.76 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 0.77 0.00 0.00 0.47 0.00 0.00 110 T 9.49 4.90 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 0.00 111 V 8.25 4.70 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 1.19 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.