NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3328 8.1227 123.5871 52.6342 19.9260 175.0541 4 S 5.3816 8.3018 111.9292 57.8755 65.1416 172.2236 *6 A 4.0240 8.4374 125.1396 51.7675 20.2752 175.6918 7 V 4.1409 8.0974 122.3810 60.5772 34.5322 174.5755 8 E 4.3367 8.6363 127.5721 56.2309 29.9068 177.8933 9 A 4.5539 9.1903 127.0318 54.4197 18.6001 178.7583 10 E 4.3530 8.5110 112.1951 58.7346 30.0428 176.4980 11 N 4.5891 8.0739 118.6547 53.6783 39.0239 175.0115 12 F 4.2493 7.6175 110.6542 56.3782 38.7429 174.4926 13 N 4.7655 9.0244 119.3206 55.6968 39.3019 175.3187 14 A 4.7551 7.6961 117.4520 51.2400 22.5752 175.5581 15 V 4.2923 7.8853 111.7758 59.9804 36.2754 174.6231 16 G 3.3994 6.4479 107.6668 45.8080 0.0000 172.5240 17 G 5.1443 8.2528 110.4317 45.0677 0.0000 172.5306 18 T 4.2178 7.8787 110.0719 62.6309 69.8905 175.6008 19 F 3.9219 8.0607 123.8487 58.1641 39.7542 174.5611 20 S 4.3296 7.3528 122.6931 57.0264 61.1975 172.8242 21 D 4.7865 8.5198 125.0726 51.9593 39.8193 176.7462 22 G 3.9335 7.7655 106.9067 46.8991 0.0000 173.5546 23 Q 4.3049 8.1593 117.2374 53.4985 30.8829 176.5021 24 A 4.0246 8.4544 121.7386 55.0415 18.4952 178.0227 25 Q 4.6413 7.4491 112.0218 53.3970 31.1807 174.3709 26 P 4.2907 0.0000 0.0000 64.7528 31.6308 177.1237 27 V 4.3857 7.2182 117.0093 61.2524 34.5741 174.4876 28 S 4.9308 8.9880 122.9029 56.8752 66.4094 172.7977 29 V 5.3761 8.2672 120.0290 61.9097 34.3786 173.6317 30 Y 5.0489 9.0040 122.8022 56.7176 41.8548 173.1545 31 T 5.1486 8.3471 115.5107 61.8891 72.4018 174.3364 32 V 4.2949 8.6906 123.2067 61.7833 34.4623 173.6523 33 N 4.1727 9.8552 120.1301 54.5524 37.1756 175.0286 34 G 3.9873 8.4317 103.0795 44.9727 0.0000 173.7719 35 N 4.8841 8.2019 118.0523 52.1748 40.1674 173.8795 36 T 5.1455 8.0114 117.4334 62.1141 71.1706 173.3273 37 A 4.7981 8.6022 125.2723 51.0038 23.6577 175.1819 38 I 4.9737 8.7946 113.8319 60.7163 39.8135 175.0488 39 N 5.5720 8.6669 120.9575 51.4165 41.1632 173.2145 40 Y 3.6811 8.0026 112.7246 59.2094 35.8017 171.2719 41 V 3.6638 7.4082 119.2926 61.9705 31.7724 174.6067 42 N 4.4411 8.5118 125.2521 50.4558 40.7592 174.2483 43 Q 4.0568 7.3801 121.0336 57.9400 29.1148 176.9368 44 G 4.0538 8.9170 114.5592 45.3198 0.0000 173.2889 45 D 4.8334 7.7013 119.9179 54.5274 42.3373 174.8627 46 Y 5.4225 8.3615 117.6785 55.7709 42.1731 173.5430 47 A 4.9295 9.0631 121.2546 50.3091 22.7033 174.7414 48 D 5.3948 8.9658 121.9098 52.8745 43.5511 175.1643 49 Y 5.2069 9.2567 118.7355 56.8094 43.0722 174.0362 50 T 5.1832 8.8221 116.9742 61.9071 71.1646 173.8999 51 I 4.7692 9.1981 118.5225 58.9733 41.4398 174.1319 52 A 4.8312 8.5778 124.9712 50.3619 20.9926 175.8297 53 V 4.0452 8.6834 123.7467 61.6190 32.4300 176.7747 54 A 4.0479 8.8126 131.9922 54.3636 18.7515 177.0531 55 Q 4.6337 7.5358 113.8071 53.8311 31.8007 175.3193 56 A 4.1581 9.0868 128.2402 51.9721 19.1912 177.1634 57 G 3.8264 7.5965 107.1573 46.4397 0.0000 170.1377 58 N 5.2315 8.4154 119.0789 53.1372 39.7855 174.4908 59 Y 4.7776 9.0781 124.0464 56.3827 41.5474 175.0167 60 T 4.5788 9.0027 121.5301 63.2766 70.2932 173.7079 61 I 4.6396 8.6858 127.3628 59.9686 39.1522 174.7205 62 S 4.9500 8.9163 121.1791 56.6006 65.7554 172.0631 63 Y 5.2035 8.7940 123.7079 56.5868 41.0485 175.2132 64 Q 4.9872 9.4811 122.9809 54.5952 29.0615 174.4265 65 A 5.4551 9.0652 125.5077 50.1538 23.2911 174.5840 66 G 4.6499 9.3270 105.0451 45.5022 0.0000 171.6704 67 S 4.3443 8.3843 113.7600 56.3208 66.3544 174.3677 68 G 3.2441 5.3800 110.6257 43.6164 0.0000 172.7527 69 V 4.4131 6.6202 111.4298 59.6494 35.8878 174.6054 70 T 4.2638 8.0756 117.6830 63.7853 69.4564 175.2896 71 G 4.1949 9.0612 114.6804 45.2168 0.0000 172.5085 72 G 4.6526 8.0456 106.8409 44.2924 0.0000 173.5935 73 S 5.2314 8.7378 118.7105 56.9586 68.0004 172.8735 74 I 4.4163 8.5181 125.2379 59.8305 38.5765 174.3154 75 E 4.8529 9.1445 129.7313 55.1927 30.8310 175.0399 76 F 4.8098 9.1853 129.9874 56.9887 42.0409 174.4922 *78 V 4.5458 8.0387 122.0563 62.7687 32.9534 173.9375 79 N 4.2758 8.8172 127.0597 53.0195 39.1791 173.9379 80 E 4.3772 9.0465 125.4944 55.3510 32.1845 175.9934 81 N 4.2006 9.8501 124.0842 54.2769 35.9600 175.2005 82 G 3.8189 8.4096 103.0426 45.2612 0.0000 172.4166 83 S 4.4770 7.4801 113.1998 55.5512 65.4097 172.8525 84 W 4.6717 8.6618 126.7472 56.6339 29.5442 175.2011 85 A 4.8100 8.9968 127.5962 49.8880 20.3225 176.0084 86 S 4.2274 8.9375 118.4011 58.9577 62.7766 172.7094 87 K 4.7258 9.5247 126.2701 57.7449 33.4672 176.4319 88 T 4.8358 7.8257 108.5509 59.9941 72.7721 172.0988 89 V 4.8498 8.4146 121.9356 61.6034 34.1166 174.6126 90 T 4.7105 8.9340 124.1872 61.3791 71.7278 173.4140 91 A 4.3701 8.7570 128.5715 51.4868 19.3903 176.4245 92 V 4.2267 8.3886 122.4241 60.3884 32.7703 174.0793 93 P 4.2494 0.0000 0.0000 63.1859 32.7160 175.2746 94 N 4.7892 8.6907 122.4494 51.9272 38.5990 174.5309 95 Q 4.4238 8.2684 123.9463 54.7732 30.6074 175.9327 96 G 3.8136 8.1075 105.8687 45.6417 0.0000 175.2301 97 W 4.4395 8.5518 123.4471 59.8913 29.1020 176.8372 98 D 4.4058 8.0407 114.0294 54.4423 40.7536 176.6366 99 N 4.5254 7.3216 119.9878 52.1486 37.5163 172.6210 100 F 4.9602 7.6419 120.7877 56.9775 40.1685 174.5838 101 Q 4.8692 9.4534 122.3510 53.0173 33.4680 172.8270 102 P 4.8871 0.0000 0.0000 63.1776 32.1553 175.3476 103 L 4.7109 9.0171 125.3831 52.8269 45.3027 174.7035 104 N 4.4382 9.1589 125.7398 54.2887 39.1120 174.3771 105 G 3.7273 9.1266 113.6030 45.7079 0.0000 175.1634 106 G 3.9576 8.9543 108.7745 44.4606 0.0000 172.5443 107 S 5.2240 8.1750 114.2768 56.6505 66.8599 174.2730 108 V 4.5122 8.6971 120.2251 60.2268 34.6203 173.6042 109 Y 4.7869 8.8525 126.4948 57.2965 39.6166 174.3303 110 L 4.8282 8.2927 126.6104 52.5447 45.4633 176.6019 111 S 4.6905 8.7635 117.5285 57.7503 64.2480 173.6971 112 A 4.1240 8.4424 123.0355 52.9729 18.8799 176.6611 113 G 3.6601 8.2746 107.3913 44.4921 0.0000 172.1154 114 T 4.9067 8.1938 116.7671 62.8631 69.9585 174.3836 115 H 5.0084 9.1655 122.3822 54.0976 33.1901 172.3982 116 Q 5.0644 8.6314 120.6519 54.8792 30.6600 174.6872 117 V 4.8599 9.3240 123.8921 61.0542 34.7280 174.0436 118 R 4.9122 8.3136 126.5295 54.3893 32.6433 174.1215 119 L 4.8100 8.8583 126.4145 53.4786 43.8181 174.9617 120 H 5.4381 9.3157 123.7930 54.2599 33.6039 173.1332 121 G 4.1501 9.2440 112.8470 46.1034 0.0000 173.4018 122 A 4.5093 9.0423 128.0473 51.7764 20.2708 177.3557 123 G 3.9303 7.4327 103.9751 44.6789 0.0000 173.4916 124 S 4.3845 8.3967 112.2905 59.5992 63.8337 174.3248 125 N 4.5871 7.8793 119.6920 52.9584 39.5029 174.3779 126 N 4.0771 8.8684 121.7079 55.3712 39.7328 174.6002 127 W 4.1891 8.9235 117.9448 55.3718 30.9271 174.5170 128 Q 4.6064 8.9239 121.6274 55.3257 30.0248 175.2906 129 W 5.3963 7.2255 117.1027 56.4222 31.3803 173.3397 130 N 5.6839 9.9927 118.4495 51.9103 41.8869 173.6640 131 L 4.8245 8.8712 121.9350 54.3279 45.6631 175.7417 132 D 4.1853 8.9574 127.0662 55.5835 42.3318 175.8572 133 K 5.0803 7.4789 114.9629 56.3549 35.8589 173.0929 134 F 5.4885 8.7132 115.0200 55.8252 41.9011 173.6163 135 T 4.8746 9.1556 115.5673 61.9403 73.1919 172.8474 136 L 5.2793 8.5562 124.6660 53.1410 44.8075 175.5031 137 S 5.2260 8.9123 119.1067 56.5921 66.9476 173.7704 138 N 4.2452 8.8903 122.1194 53.7390 38.2755 174.5810 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 3 A 8.12 4.33 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.30 5.38 0.00 3.90 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 *6 A 8.44 4.02 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 7 V 8.10 4.14 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 0.67 0.00 0.00 0.55 0.00 0.00 8 E 8.64 4.34 0.00 1.92 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 2.23 0.00 9 A 9.19 4.55 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 10 E 8.51 4.35 0.00 2.13 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 0.00 2.29 2.24 0.00 11 N 8.07 4.59 0.00 2.71 3.06 0.00 0.00 7.19 6.57 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 12 F 7.62 4.25 0.00 2.90 2.62 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 0.00 0.00 0.00 0.00 13 N 9.02 4.77 0.00 2.64 2.97 0.00 0.00 6.71 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 14 A 7.70 4.76 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 15 V 7.89 4.29 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.57 0.00 0.00 16 G 6.45 3.40 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 0.00 17 G 8.25 5.14 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 18 T 7.88 4.22 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 1.24 0.00 0.00 19 F 8.06 3.92 0.00 2.81 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 20 S 7.35 4.33 0.00 3.64 3.40 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 21 D 8.52 4.79 0.00 3.08 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 22 G 7.77 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 23 Q 8.16 4.30 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 1.82 1.41 0.00 24 A 8.45 4.02 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 25 Q 7.45 4.64 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 P 0.00 4.29 0.00 1.84 1.96 0.00 3.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 27 V 7.22 4.39 1.69 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 0.69 0.00 0.00 0.67 0.00 0.00 28 S 8.99 4.93 0.00 4.06 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 29 V 8.27 5.38 2.23 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 1.00 0.00 0.00 1.22 0.00 0.00 30 Y 9.00 5.05 0.00 3.15 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 31 T 8.35 5.15 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 1.28 0.00 0.00 32 V 8.69 4.29 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 0.73 0.00 0.00 1.05 0.00 0.00 33 N 9.86 4.17 0.00 2.84 3.13 0.00 0.00 7.17 7.98 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 34 G 8.43 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 0.00 0.00 0.00 35 N 8.20 4.88 0.00 3.08 2.92 0.00 0.00 6.75 6.73 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 36 T 8.01 5.15 4.40 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 1.32 0.00 0.00 37 A 8.60 4.80 1.11 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 38 I 8.79 4.97 2.02 0.00 0.00 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 1.71 0.93 1.29 0.00 0.00 39 N 8.67 5.57 0.00 2.38 2.72 0.00 0.00 6.98 6.85 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 40 Y 8.00 3.68 0.00 3.07 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 41 V 7.41 3.66 1.63 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 -0.40 0.00 0.00 0.68 0.00 0.00 42 N 8.51 4.44 0.00 2.36 1.48 0.00 0.00 6.23 7.31 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 43 Q 7.38 4.06 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 44 G 8.92 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 45 D 7.70 4.83 0.00 2.43 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 0.00 0.00 0.00 0.00 46 Y 8.36 5.42 0.00 2.94 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 47 A 9.06 4.93 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 48 D 8.97 5.39 0.00 2.61 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 49 Y 9.26 5.21 0.00 3.15 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 50 T 8.82 5.18 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 1.27 0.00 0.00 51 I 9.20 4.77 1.89 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 1.40 0.81 1.06 0.00 0.00 52 A 8.58 4.83 1.22 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 0.00 0.00 53 V 8.68 4.05 1.94 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 1.03 0.00 0.00 0.78 0.00 0.00 54 A 8.81 4.05 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 55 Q 7.54 4.63 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 56 A 9.09 4.16 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 57 G 7.60 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 0.00 0.00 0.00 58 N 8.42 5.23 0.00 2.78 2.66 0.00 0.00 6.65 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 59 Y 9.08 4.78 0.00 2.90 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 60 T 9.00 4.58 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 1.21 0.00 0.00 61 I 8.69 4.64 1.34 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.19 0.11 0.00 0.00 62 S 8.92 4.95 0.00 3.75 3.58 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 63 Y 8.79 5.20 0.00 2.86 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 64 Q 9.48 4.99 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 65 A 9.07 5.46 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 66 G 9.33 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.38 4.34 0.00 3.83 3.58 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 68 G 5.38 3.24 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 69 V 6.62 4.41 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 0.86 0.00 0.00 1.06 0.00 0.00 70 T 8.08 4.26 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 1.21 0.00 0.00 71 G 9.06 4.19 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 0.00 72 G 8.05 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.74 5.23 0.00 3.80 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 74 I 8.52 4.42 0.92 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.04 0.00 0.00 75 E 9.14 4.85 0.00 2.13 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 2.32 2.33 0.00 76 F 9.19 4.81 0.00 3.29 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 *78 V 8.04 4.55 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 1.03 0.00 0.00 1.21 0.00 0.00 79 N 8.82 4.28 0.00 1.44 2.17 0.00 0.00 7.02 7.20 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 80 E 9.05 4.38 0.00 1.95 1.82 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 2.25 2.43 0.00 81 N 9.85 4.20 0.00 2.74 2.76 0.00 0.00 7.31 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 82 G 8.41 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 0.00 0.00 0.00 83 S 7.48 4.48 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.66 4.67 0.00 3.21 3.07 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 85 A 9.00 4.81 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 86 S 8.94 4.23 0.00 4.04 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 87 K 9.52 4.73 0.00 1.97 1.91 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.77 7.81 88 T 7.83 4.84 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 1.17 0.00 0.00 89 V 8.41 4.85 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 0.88 0.00 0.00 0.99 0.00 0.00 90 T 8.93 4.71 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 1.31 0.00 0.00 91 A 8.76 4.37 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 92 V 8.39 4.23 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 0.84 0.00 0.00 0.68 0.00 0.00 93 P 0.00 4.25 0.00 2.10 1.94 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 94 N 8.69 4.79 0.00 2.94 2.62 0.00 0.00 6.89 6.80 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 95 Q 8.27 4.42 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.16 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 96 G 8.11 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 97 W 8.55 4.44 0.00 3.26 3.22 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 98 D 8.04 4.41 0.00 2.63 2.62 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 0.00 0.00 0.00 0.00 99 N 7.32 4.53 0.00 2.63 2.90 0.00 0.00 7.16 7.07 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 0.00 100 F 7.64 4.96 0.00 3.11 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 0.00 101 Q 9.45 4.87 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 102 P 0.00 4.89 0.00 2.09 2.09 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 103 L 9.02 4.71 0.00 1.80 1.67 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.16 4.44 0.00 2.77 2.74 0.00 0.00 7.11 7.98 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 0.00 105 G 9.13 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 0.00 106 G 8.95 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 0.00 107 S 8.17 5.22 0.00 4.03 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 0.00 108 V 8.70 4.51 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 0.56 0.00 0.00 1.04 0.00 0.00 109 Y 8.85 4.79 0.00 3.07 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 0.00 110 L 8.29 4.83 0.00 1.38 1.22 0.68 0.43 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 0.00 111 S 8.76 4.69 0.00 3.96 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 0.00 112 A 8.44 4.12 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 0.00 113 G 8.27 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.19 4.91 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 1.21 0.00 0.00 115 H 9.17 5.01 0.00 3.14 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.63 5.06 0.00 1.85 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 117 V 9.32 4.86 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 0.33 0.00 0.00 1.06 0.00 0.00 118 R 8.31 4.91 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.28 0.00 119 L 8.86 4.81 0.00 1.85 1.58 0.59 0.48 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 0.00 120 H 9.32 5.44 0.00 3.09 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.24 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 0.00 0.00 0.00 0.00 122 A 9.04 4.51 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 0.00 123 G 7.43 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 0.00 124 S 8.40 4.38 0.00 4.00 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 0.00 125 N 7.88 4.59 0.00 2.90 3.03 0.00 0.00 7.19 7.83 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 0.00 126 N 8.87 4.08 0.00 2.62 2.13 0.00 0.00 6.92 7.68 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 0.00 127 W 8.92 4.19 0.00 3.35 3.28 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 0.00 128 Q 8.92 4.61 0.00 1.42 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 129 W 7.23 5.40 0.00 3.53 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 0.00 130 N 9.99 5.68 0.00 3.44 3.47 0.00 0.00 6.74 6.60 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 0.00 131 L 8.87 4.82 0.00 2.08 1.79 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.96 4.19 0.00 1.58 2.40 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 0.00 133 K 7.48 5.08 0.00 1.89 1.98 0.00 1.39 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.42 7.81 134 F 8.71 5.49 0.00 3.10 3.20 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 0.00 135 T 9.16 4.87 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 0.00 136 L 8.56 5.28 0.00 1.52 1.55 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.91 5.23 0.00 3.73 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 0.00 138 N 8.89 4.25 0.00 2.48 2.51 0.00 0.00 7.07 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 * Residues marked with a * may have inaccurate shift predictions.