NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 3.8166 8.4545 109.7327 45.5048 0.0000 173.3882 *21 S 4.5597 8.0840 117.6346 57.5518 64.4939 169.9865 22 H 5.6287 8.4857 115.1333 55.4476 32.0547 173.2683 23 H 5.0952 8.5443 115.9808 53.7528 31.5921 173.2385 24 I 4.1847 8.3250 121.3799 61.7042 37.1318 175.6903 25 I 4.1258 8.7322 128.5903 63.2182 38.3104 176.0506 26 G 4.4328 7.6225 105.9514 46.3140 0.0000 172.2137 27 I 5.2303 8.0209 112.8388 59.0251 41.5254 174.4781 28 G 4.3572 8.9554 109.3392 45.1437 0.0000 171.5336 29 T 5.2834 8.3915 116.5398 60.4597 71.1764 172.2719 30 D 4.8474 8.9419 124.7325 52.9407 45.2247 173.6495 31 I 5.0887 8.3139 124.2168 59.3234 41.2093 174.1254 32 L 4.6591 8.7555 129.3983 53.9834 46.3026 173.8923 33 C 4.8287 8.7164 126.2523 58.3374 32.4946 174.0839 34 V 3.7233 8.7432 128.9480 65.6273 30.9530 177.5631 35 N 4.6102 8.2127 116.0796 56.3940 38.2601 176.6306 36 R 3.8543 7.9745 120.4325 59.3358 30.0355 178.6208 37 I 3.5825 7.5738 119.0842 64.2356 37.2400 177.1607 38 Y 4.0871 8.4247 120.8702 61.0573 38.6633 178.7273 39 K 3.8661 8.3198 119.0096 59.3311 32.0143 179.4987 40 I 3.5600 7.2288 119.2717 64.3095 36.7408 178.5065 41 L 3.9633 7.7590 119.0494 57.6406 41.4987 179.1899 42 E 3.9081 8.0416 117.1477 58.0119 29.5513 177.6241 43 K 4.4254 7.1723 115.3489 56.6927 33.9895 176.6734 44 N 4.9437 8.0453 118.2844 52.4659 40.2435 174.1432 45 I 3.6570 7.8962 122.8512 63.2000 38.9003 176.9727 46 N 4.5180 8.2478 117.7002 55.1367 39.3614 175.9893 47 F 4.2900 8.4742 120.5828 61.7313 39.1104 176.8374 48 I 3.6302 7.6825 112.5193 63.6152 36.9936 177.9571 49 K 4.0208 7.7508 118.7227 58.1586 32.0477 178.9212 50 K 4.0300 7.4882 118.8191 58.7475 31.9734 178.4286 51 V 3.7064 7.0475 117.4226 64.8967 32.0001 175.9498 52 L 4.5837 7.6582 119.0121 53.4471 42.7021 176.3862 53 N 4.6697 9.1462 121.5318 52.0670 39.9891 173.8290 54 P 4.1151 0.0000 0.0000 66.1394 31.2870 178.9804 55 F 4.3828 7.8186 116.0373 60.3336 38.7305 177.7440 56 E 4.1110 8.3198 118.5238 59.3730 29.3253 178.8080 57 L 4.0606 8.1000 119.6851 58.3370 42.1101 178.7137 58 A 4.0420 8.0274 120.4166 55.1744 18.3221 179.2659 59 E 3.9425 8.2809 117.9016 59.2013 29.5019 178.8434 60 F 3.8403 8.5452 120.1374 61.2670 39.8959 176.6137 61 E 3.9332 8.5906 118.5780 59.6591 29.0432 179.3671 62 T 3.8839 7.6123 114.4036 66.7669 68.5691 176.2673 63 Q 4.3195 7.6232 116.5242 55.3115 29.0374 175.5642 64 K 4.2603 7.0188 119.0839 54.1062 35.3550 175.1437 *72 N 4.5531 8.1264 117.2309 52.5548 39.5047 175.2689 73 K 3.9569 8.2822 120.1583 59.7550 32.2926 178.7128 74 S 4.3182 8.1396 113.9911 61.0554 63.1522 175.7716 75 N 4.3086 8.6091 120.9433 56.6694 38.6509 176.5359 76 E 4.0200 8.3818 120.0808 59.5129 29.4904 179.2284 77 L 4.0433 8.0936 120.2228 57.9636 42.1584 179.0414 78 K 4.0466 8.4180 118.6080 59.5233 32.0272 179.3873 79 K 4.0037 8.1366 118.5930 59.3451 31.9781 179.0598 80 L 3.8253 8.4269 120.6751 58.2611 41.9520 178.9276 81 A 4.1042 8.4705 120.9710 55.1224 18.3079 179.7415 82 I 3.5269 7.9275 118.3443 64.5486 37.3064 177.8020 83 Y 4.0262 7.9495 120.3454 60.9263 38.5504 178.5189 84 V 3.5203 8.2367 119.3645 65.9878 31.0687 178.0513 85 S 4.1726 8.3277 115.1229 61.5992 62.6764 176.8584 86 K 4.0058 8.0410 121.0263 59.4135 31.7532 179.5667 87 K 3.8703 7.7233 118.4266 59.2384 31.8430 179.2387 88 F 3.9652 8.6482 121.0335 61.2215 39.4328 177.0276 89 A 4.5649 8.7386 121.7291 54.6641 18.1408 179.1933 90 A 3.9436 8.0870 119.2963 55.6165 18.3752 180.1199 91 K 3.8837 8.1793 116.7619 59.1613 32.0173 179.2845 92 E 3.7442 8.3415 120.0048 59.0459 29.5234 178.7191 93 A 3.9492 8.0185 120.7258 55.1671 18.5257 179.4096 94 I 3.6161 7.9300 118.5826 64.8118 37.2563 178.6432 95 L 4.0037 8.1873 119.8339 57.7354 41.3398 179.7951 96 K 4.0467 8.3355 118.9387 59.4215 31.8992 179.5324 97 S 4.3543 8.2037 115.7201 60.7022 62.6752 175.5583 98 M 4.4115 7.6779 119.6692 54.9234 31.9803 176.7456 99 G 3.9135 8.0214 107.3338 45.9661 0.0000 173.4569 100 R 4.6316 8.3166 117.5452 54.1573 33.4848 176.4178 101 G 4.0820 8.2527 108.9256 45.2628 0.0000 172.1305 102 L 4.8425 8.5633 119.5719 53.9255 42.8629 176.6039 103 S 3.8555 9.0681 120.3161 56.8123 61.7960 172.7503 *109 G 3.7822 8.1157 113.4918 46.6351 0.0000 169.1837 110 L 5.0449 8.5601 123.8536 52.9305 46.7480 175.4454 111 S 4.7378 8.3320 115.9620 57.4697 63.9276 175.5724 112 M 3.9604 8.8903 125.3340 58.4054 31.6205 177.6991 113 N 4.6004 8.0083 113.7380 53.9517 38.0826 175.5887 114 D 4.8397 8.2310 119.1276 54.9930 41.2705 175.2283 115 I 4.9919 7.6884 121.0162 59.3929 39.5443 174.5514 116 E 4.9467 9.7078 128.2285 54.5692 32.0382 174.3333 117 I 5.0589 9.3432 128.5952 59.5657 39.1413 175.1509 118 K 4.7773 9.0516 127.9990 54.6307 35.7457 175.0173 119 N 5.2809 8.8912 124.3915 52.9900 40.3282 175.1562 120 D 4.8430 8.9946 122.9126 52.1709 41.0285 177.1829 121 K 3.9459 8.4376 117.3666 59.7988 32.5351 177.5937 122 Y 4.1692 8.1012 115.7891 59.0563 38.1371 176.2706 123 G 4.0215 8.4725 108.2601 44.5536 0.0000 173.1699 124 K 4.3988 8.4296 122.8830 55.1660 33.2392 174.4259 125 P 5.1105 0.0000 0.0000 62.6272 32.4437 175.2393 126 H 4.8535 9.2829 118.8992 53.9647 32.7265 172.4993 127 V 4.6812 7.8199 120.7107 61.4072 33.2546 174.4202 128 Y 4.7992 9.2771 124.8204 56.1156 41.7342 174.5040 129 L 5.2654 8.2665 120.9586 53.3016 45.4584 175.2661 130 Y 4.6045 8.6043 118.3898 56.2772 42.6355 176.5104 131 G 3.8147 9.0093 108.7184 46.6025 0.0000 176.5324 132 K 3.9766 8.6791 119.9332 59.3229 32.1306 178.7382 133 A 3.9908 7.9544 120.9134 54.7998 18.4357 179.2403 134 K 3.8593 8.0529 118.2232 59.4322 32.1879 178.9779 135 K 3.9856 8.0564 119.8303 59.6129 32.2154 178.9083 136 V 3.5849 8.0526 118.4458 65.8732 31.3646 177.8155 137 A 3.9341 8.1707 120.4206 55.3002 18.2852 178.6384 138 Y 4.0596 8.0567 118.0497 61.3097 38.6193 178.5827 139 E 3.9077 8.2786 117.3439 58.9570 29.6567 178.3852 140 M 4.3033 7.7728 116.9865 55.5299 32.0699 177.1574 141 G 3.7967 7.7932 108.2057 45.4351 0.0000 173.1382 142 I 4.2266 7.6552 120.9258 61.2141 37.4176 176.2455 143 V 4.2923 8.5859 118.4891 61.9751 33.5179 176.1839 144 K 4.3783 7.6171 119.9597 55.0032 35.6702 174.3867 145 I 4.8969 7.8742 126.7702 59.5446 39.5727 175.2893 146 F 4.4764 9.3581 126.6877 56.9796 40.5720 174.6780 147 L 5.2493 8.2742 122.0142 53.8242 45.2885 175.0159 148 S 4.8328 9.2610 118.9676 56.7397 66.1744 172.6024 149 I 5.1645 8.3005 124.6546 59.9242 41.1366 174.5865 150 S 4.8528 8.9495 118.1504 57.0979 66.0605 172.5464 151 D 5.5780 8.7310 124.5691 51.7837 42.7389 174.3386 152 E 4.8588 9.2583 120.6027 54.3867 33.5104 174.4847 153 K 3.9580 8.4756 125.8600 56.4115 33.6595 176.3669 154 I 3.9040 8.4083 123.3585 62.5646 39.1916 175.3986 *168 T 4.1210 7.5345 114.7898 62.0640 68.2580 172.1787 169 F 5.2517 8.6789 127.0966 55.4903 42.1350 174.3866 170 I 4.9379 9.0034 123.4632 59.3312 40.7979 174.0927 171 I 5.0178 8.9079 129.1725 59.5751 40.5034 174.3053 172 Q 5.1969 9.3602 126.6579 54.3984 32.5476 173.7989 173 A 5.3852 9.1381 126.4752 50.5457 23.2342 174.7459 174 Q 5.1493 9.1463 116.4811 54.9037 32.7355 173.5913 175 A 5.1994 9.0973 121.1979 50.5069 23.4967 175.0137 176 L 5.0333 9.0064 121.3369 53.5166 45.7630 174.7269 177 A 5.2025 8.9863 128.5312 50.4979 21.2616 175.9487 178 V 4.7867 8.7757 115.1094 59.4901 36.3890 174.9240 179 G 4.3076 8.8958 109.5428 45.0431 0.0000 171.8280 180 S 5.4022 8.4904 114.8622 56.6977 65.6509 174.6140 181 N 4.6495 8.1011 118.8546 53.5329 38.1008 175.1400 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 20 G 8.45 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 *21 S 8.08 4.56 0.00 3.51 3.75 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 22 H 8.49 5.63 0.00 3.00 3.18 0.00 5.64 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 23 H 8.54 5.10 0.00 3.20 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.33 4.18 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.93 0.00 0.00 25 I 8.73 4.13 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.90 0.00 0.00 26 G 7.62 4.43 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 0.00 27 I 8.02 5.23 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.90 0.00 0.00 28 G 8.96 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 0.00 0.00 0.00 0.00 29 T 8.39 5.28 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 1.22 0.00 0.00 30 D 8.94 4.85 0.00 2.83 2.54 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 31 I 8.31 5.09 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.27 0.94 0.00 0.00 32 L 8.76 4.66 0.00 1.84 1.51 1.05 0.63 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 33 C 8.72 4.83 0.00 3.02 2.80 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 34 V 8.74 3.72 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 1.08 0.00 0.00 1.00 0.00 0.00 35 N 8.21 4.61 0.00 2.88 2.82 0.00 0.00 6.86 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 36 R 7.97 3.85 0.00 1.91 2.07 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 37 I 7.57 3.58 1.97 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.94 0.00 0.00 38 Y 8.42 4.09 0.00 3.04 3.16 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 0.00 0.00 0.00 39 K 8.32 3.87 0.00 1.99 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.81 7.81 40 I 7.23 3.56 1.50 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.49 -0.06 0.00 0.00 41 L 7.76 3.96 0.00 1.59 1.65 0.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.04 3.91 0.00 1.78 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 0.00 0.00 0.00 2.28 2.18 0.00 43 K 7.17 4.43 0.00 1.91 1.85 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.27 7.81 44 N 8.05 4.94 0.00 2.73 2.73 0.00 0.00 6.73 8.32 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 45 I 7.90 3.66 1.86 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 1.31 1.07 0.92 0.00 0.00 46 N 8.25 4.52 0.00 2.86 2.99 0.00 0.00 6.85 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 47 F 8.47 4.29 0.00 3.14 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 48 I 7.68 3.63 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.80 0.96 0.00 0.00 49 K 7.75 4.02 0.00 1.73 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.59 7.81 50 K 7.49 4.03 0.00 1.43 1.70 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.64 7.81 51 V 7.05 3.71 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 0.82 0.00 0.00 0.53 0.00 0.00 52 L 7.66 4.58 0.00 1.70 1.61 0.98 1.27 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 53 N 9.15 4.67 0.00 2.99 2.75 0.00 0.00 7.05 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 54 P 0.00 4.12 0.00 1.56 1.82 0.00 3.36 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 1.81 2.01 0.00 55 F 7.82 4.38 0.00 3.25 3.03 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 56 E 8.32 4.11 0.00 2.31 2.20 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 2.48 2.46 0.00 57 L 8.10 4.06 0.00 1.78 1.85 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.03 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.94 0.00 2.17 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 2.42 2.40 0.00 60 F 8.55 3.84 0.00 2.39 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 61 E 8.59 3.93 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 2.37 2.54 0.00 62 T 7.61 3.88 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 1.19 0.00 0.00 63 Q 7.62 4.32 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 64 K 7.02 4.26 0.00 1.69 1.52 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.97 0.63 7.81 *72 N 8.13 4.55 0.00 3.03 3.03 0.00 0.00 5.56 7.33 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 73 K 8.28 3.96 0.00 1.91 1.87 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.58 7.81 74 S 8.14 4.32 0.00 4.19 4.18 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 75 N 8.61 4.31 0.00 2.82 3.13 0.00 0.00 7.08 6.96 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 76 E 8.38 4.02 0.00 2.28 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 2.65 2.49 0.00 77 L 8.09 4.04 0.00 1.95 1.98 0.90 0.21 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 78 K 8.42 4.05 0.00 1.98 1.85 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.90 1.64 7.81 79 K 8.14 4.00 0.00 2.10 2.01 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 80 L 8.43 3.83 0.00 1.86 1.88 0.45 1.30 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 81 A 8.47 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.93 3.53 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.74 0.68 0.00 0.00 83 Y 7.95 4.03 0.00 3.13 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 84 V 8.24 3.52 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 1.10 0.00 0.00 0.97 0.00 0.00 85 S 8.33 4.17 0.00 4.11 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 86 K 8.04 4.01 0.00 1.84 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.54 7.81 87 K 7.72 3.87 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.37 0.00 0.00 2.29 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.16 7.81 88 F 8.65 3.97 0.00 3.26 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 89 A 8.74 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 3.94 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 91 K 8.18 3.88 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 92 E 8.34 3.74 0.00 1.84 1.88 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 2.27 2.23 0.00 93 A 8.02 3.95 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 94 I 7.93 3.62 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.87 0.00 0.00 95 L 8.19 4.00 0.00 1.72 1.84 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.34 4.05 0.00 1.93 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.66 7.81 97 S 8.20 4.35 0.00 4.23 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 98 M 7.68 4.41 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 99 G 8.02 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 0.00 100 R 8.32 4.63 0.00 1.60 1.79 0.00 3.32 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 101 G 8.25 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 0.00 0.00 0.00 0.00 102 L 8.56 4.84 0.00 1.56 1.58 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 103 S 9.07 3.86 0.00 3.95 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 *109 G 8.12 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 0.00 0.00 0.00 110 L 8.56 5.04 0.00 1.57 1.53 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.33 4.74 0.00 3.95 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 0.00 112 M 8.89 3.96 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 113 N 8.01 4.60 0.00 2.98 3.03 0.00 0.00 6.29 8.07 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 0.00 114 D 8.23 4.84 0.00 2.96 3.01 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 0.00 115 I 7.69 4.99 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.93 0.00 0.00 116 E 9.71 4.95 0.00 2.44 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 2.45 2.50 0.00 117 I 9.34 5.06 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.94 0.00 0.00 118 K 9.05 4.78 0.00 1.94 1.85 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.46 7.81 119 N 8.89 5.28 0.00 2.78 2.80 0.00 0.00 6.91 8.08 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 0.00 120 D 8.99 4.84 0.00 3.02 2.89 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 0.00 121 K 8.44 3.95 0.00 1.70 1.87 0.00 1.26 0.00 0.00 1.53 0.00 0.00 2.43 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.05 0.62 7.81 122 Y 8.10 4.17 0.00 3.18 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 0.00 123 G 8.47 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 0.00 124 K 8.43 4.40 0.00 1.95 2.18 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.40 7.81 125 P 0.00 5.11 0.00 2.13 2.15 0.00 3.39 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 126 H 9.28 4.85 0.00 3.10 2.83 0.00 5.58 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 0.00 127 V 7.82 4.68 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 0.71 0.00 0.00 0.88 0.00 0.00 128 Y 9.28 4.80 0.00 2.90 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 0.00 129 L 8.27 5.27 0.00 1.38 1.48 0.94 0.76 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 0.00 130 Y 8.60 4.60 0.00 3.02 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 0.00 131 G 9.01 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 0.00 132 K 8.68 3.98 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 133 A 7.95 3.99 1.39 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 0.00 0.00 0.00 134 K 8.05 3.86 0.00 1.84 2.05 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 135 K 8.06 3.99 0.00 1.96 1.98 0.00 1.91 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 136 V 8.05 3.58 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 0.96 0.00 0.00 0.97 0.00 0.00 137 A 8.17 3.93 1.41 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 0.00 138 Y 8.06 4.06 0.00 3.16 3.23 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 0.00 139 E 8.28 3.91 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 2.44 2.71 0.00 140 M 7.77 4.30 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 141 G 7.79 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 0.00 142 I 7.66 4.23 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.89 0.00 0.00 143 V 8.59 4.29 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 0.68 0.00 0.00 0.98 0.00 0.00 144 K 7.62 4.38 0.00 1.59 1.28 0.00 1.40 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.36 1.00 7.81 145 I 7.87 4.90 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.92 0.00 0.00 146 F 9.36 4.48 0.00 2.88 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 0.00 147 L 8.27 5.25 0.00 1.55 1.45 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.26 4.83 0.00 3.89 3.62 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 0.00 149 I 8.30 5.16 1.89 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 1.24 0.80 0.93 0.00 0.00 150 S 8.95 4.85 0.00 3.89 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 0.00 151 D 8.73 5.58 0.00 2.95 2.65 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 0.00 152 E 9.26 4.86 0.00 2.07 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 0.00 2.18 2.24 0.00 153 K 8.48 3.96 0.00 1.43 0.74 0.00 1.40 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 1.25 7.81 154 I 8.41 3.90 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.87 0.00 0.00 *168 T 7.53 4.12 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 1.11 0.00 0.00 169 F 8.68 5.25 0.00 2.94 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 0.00 170 I 9.00 4.94 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.62 1.01 0.00 0.00 171 I 8.91 5.02 1.93 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 1.18 1.21 0.96 0.00 0.00 172 Q 9.36 5.20 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 173 A 9.14 5.39 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 0.00 174 Q 9.15 5.15 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 175 A 9.10 5.20 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 0.00 176 L 9.01 5.03 0.00 1.74 1.55 0.97 0.88 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 0.00 177 A 8.99 5.20 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 0.00 178 V 8.78 4.79 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 0.74 0.00 0.00 0.87 0.00 0.00 179 G 8.90 4.31 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 0.00 180 S 8.49 5.40 0.00 3.77 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 0.00 181 N 8.10 4.65 0.00 2.44 2.73 0.00 0.00 6.80 7.44 0.00 0.00 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.