NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4292 8.2929 117.0985 58.1471 63.9517 174.0193 10 D 4.7975 8.5358 119.7141 53.1473 39.5569 175.3964 11 K 4.3759 8.3343 121.8350 55.3802 33.7978 174.8765 12 P 4.6489 0.0000 0.0000 63.4239 32.4174 175.7070 13 V 5.1459 8.3158 121.3133 60.9185 35.0597 172.7989 14 A 4.7760 9.0016 122.6842 51.8447 23.3430 175.3748 15 H 4.7000 9.1641 119.3506 55.8502 32.2092 172.9947 16 V 4.6265 8.3205 117.2622 60.1166 34.0566 174.9579 17 V 5.3283 8.8857 115.3419 59.2861 36.2679 174.6693 18 A 4.4495 8.4494 123.9522 51.9850 18.9858 177.0420 19 N 4.4834 8.8020 122.2625 52.0040 38.7356 173.5576 20 P 2.9700 0.0000 0.0000 64.8120 31.8355 177.2160 21 Q 4.2723 8.2609 120.1124 54.4024 27.4498 174.9174 22 A 4.4789 7.5085 120.7259 51.3150 21.1673 176.6068 23 E 3.8148 8.9200 111.6110 58.0271 26.3449 178.5462 24 G 3.9783 8.1520 104.9568 47.0923 0.0000 172.2041 25 Q 4.3128 7.4224 115.7277 53.4016 32.1277 176.1687 26 L 4.2341 8.2025 117.0516 55.0997 41.9875 175.1022 27 Q 4.5922 7.8823 127.5922 53.6528 31.2230 174.6194 28 W 5.1533 9.3126 127.5510 57.1979 30.0720 175.8562 29 S 4.8622 9.4211 116.9469 57.3553 65.4599 174.1965 30 N 4.8014 8.9075 121.6262 53.0159 38.7584 175.4627 31 R 4.3218 7.7249 120.4912 54.7226 28.8467 175.2547 32 R 4.5667 7.1253 116.2820 54.6690 33.6787 173.7865 33 A 4.0943 8.3189 125.0930 53.2779 19.1669 177.1829 34 N 4.2289 8.9393 118.2531 54.4417 34.9423 173.6239 35 A 5.1493 7.7147 116.8639 50.4417 23.1478 176.3843 36 L 4.6843 8.3419 117.4073 53.3777 46.7227 175.3764 37 L 4.5911 7.7351 116.5839 54.7467 43.2441 171.9565 38 A 4.7320 8.3513 125.3782 49.0489 23.8885 175.3317 39 N 4.4230 9.9641 112.7151 54.5427 36.0831 175.9051 40 G 4.0082 8.4644 106.5942 45.0963 0.0000 174.6406 41 V 4.0025 7.2033 119.5401 62.9213 32.0707 175.2584 42 E 4.7866 8.5965 125.0968 54.4063 33.8624 174.6332 43 L 4.8715 8.3878 123.4404 54.4472 43.3732 175.3528 44 R 4.2009 9.3698 129.6006 57.4021 28.5345 179.5698 45 D 4.6239 9.0933 124.1688 53.9821 39.8293 175.7348 46 N 4.5835 8.2158 112.9618 53.9245 38.1854 173.0110 47 Q 5.0343 7.7335 114.0797 53.9776 33.3928 173.9300 48 L 4.9144 8.2304 121.4019 53.4652 43.3885 175.6992 49 V 4.5134 8.5564 124.4336 61.3312 33.5361 174.8821 50 V 3.9365 8.6168 129.4023 61.9201 31.7709 174.8026 51 P 4.1647 0.0000 0.0000 65.3101 31.3232 175.6950 52 I 4.6820 7.4063 115.7568 58.1231 41.4120 173.4719 53 E 4.5083 8.8358 122.5587 54.9423 30.3447 175.6797 54 G 4.1977 7.7871 111.2163 44.2329 0.0000 171.3015 55 L 5.0025 7.6728 119.6945 54.2570 43.0985 176.5086 56 F 5.2073 9.4787 121.7625 55.5365 43.4322 173.6972 57 L 4.8357 8.9364 125.1336 54.3735 43.4271 175.2001 58 I 5.2281 9.3799 127.6854 59.8584 40.1788 174.2720 59 Y 5.4215 8.3237 123.0297 56.3900 41.9645 173.5538 60 S 4.9553 8.4449 112.9351 57.5836 66.5941 173.5148 61 Q 5.5037 8.3764 126.7448 53.3241 32.5818 174.2140 62 V 4.5183 8.0290 117.0532 59.4628 36.4051 173.6091 63 L 5.0532 7.8441 123.6347 53.3722 44.4744 174.9962 64 F 5.4078 9.2321 125.1138 56.2445 41.6251 174.7265 65 K 4.0786 8.5630 122.2174 55.1344 35.4311 175.2965 66 G 3.5929 6.5889 111.6105 44.6921 0.0000 171.8700 67 Q 4.4100 8.5328 122.0623 55.5428 29.6679 176.6641 68 G 4.0267 9.1077 111.8222 45.4558 0.0000 172.3510 69 C 4.8712 8.3469 116.4020 54.2063 40.1763 170.6533 70 P 4.3691 0.0000 0.0000 63.9719 31.2444 178.3239 71 S 3.1658 8.4365 118.3989 60.7141 62.8737 171.1889 72 T 3.1462 7.9663 117.5847 65.5685 68.9521 170.6403 73 H 4.7642 8.2983 122.8058 54.9577 32.0118 172.7522 74 V 3.9985 8.2573 124.8796 62.2459 32.7427 174.3953 75 L 4.8669 8.4681 127.2168 52.8108 44.4074 175.6106 76 L 4.8349 9.1474 124.3125 52.9514 44.6261 175.6700 77 T 5.1860 9.0508 112.9129 60.2033 72.7322 172.3087 78 H 5.6293 8.8503 122.4482 54.8778 33.5846 172.1348 79 T 5.0735 9.2910 115.5677 60.2780 72.4647 172.5151 80 I 5.3499 8.6667 126.5416 59.1909 39.4156 174.8891 81 S 5.0243 8.3912 121.7992 56.5608 67.0903 173.0820 82 R 4.5944 8.5300 123.8804 54.9927 31.1004 175.5567 83 I 3.9185 9.1300 128.8967 62.1159 37.7349 174.3781 84 A 3.9561 8.1465 133.4109 52.9030 15.9971 178.1730 85 V 3.9600 7.5488 110.6197 61.0808 32.9464 173.9261 86 S 4.2848 7.3640 117.6940 58.9390 66.0490 174.1933 *87 Y 3.3763 8.8224 123.8915 58.0423 34.4705 167.6839 88 Q 4.4044 7.9029 117.3013 55.1020 29.1213 179.5298 89 T 3.7958 7.9623 110.5459 60.8743 67.9791 172.4225 90 K 4.3604 8.7929 131.9610 56.6020 33.0040 176.0090 91 V 4.4148 8.1334 127.6387 59.6481 33.7898 174.7573 92 N 4.6767 8.8117 123.3876 53.5999 38.2940 174.7625 93 L 4.3270 8.8447 125.1608 56.4260 42.8909 177.5517 94 L 4.9432 7.3561 116.8201 53.2433 46.0468 175.6457 95 S 5.0899 8.4940 114.0962 57.7491 64.9975 173.5309 96 A 4.8851 8.7669 126.0505 50.8287 23.0403 174.9875 97 I 4.8871 8.1681 118.3207 59.8594 41.4046 175.2164 98 K 4.6762 9.0811 123.7389 55.0039 37.0695 175.6411 99 S 4.6647 8.6106 117.7455 54.6595 63.8488 171.8798 100 P 3.9415 0.0000 0.0000 64.6779 31.3793 177.4457 101 C 4.5307 7.4718 116.3114 55.3501 41.1423 173.2742 102 Q 4.1286 8.4200 125.0546 56.3887 29.4938 176.0087 103 R 4.5675 6.9321 116.4792 56.3643 33.4942 180.1260 104 E 5.5022 7.7102 110.6974 56.9319 33.2970 176.3486 105 T 4.3203 8.1774 110.9099 61.0858 70.1315 175.2075 106 P 4.3538 0.0000 0.0000 62.9981 33.0365 178.4617 107 E 4.3146 8.3362 117.0696 56.2769 31.5080 177.5908 108 G 3.9806 10.4565 108.2278 47.1226 0.0000 172.4342 109 A 4.5331 7.4535 122.5825 51.5392 22.1646 176.2398 110 E 4.5316 8.3094 115.5780 53.8684 31.8041 175.4561 111 A 4.2218 8.3232 120.1379 53.2627 19.1006 177.0561 112 K 4.7074 8.4728 121.2713 54.2779 34.7335 173.7389 113 P 4.8872 0.0000 0.0000 62.1888 32.2405 175.6355 114 W 5.0625 8.3990 120.0664 54.8927 31.3440 173.9016 115 Y 5.0693 8.8332 118.1770 56.4867 41.1280 175.2315 116 E 4.8397 9.9339 123.1831 54.7272 33.5305 172.3527 117 P 5.4604 0.0000 0.0000 61.3442 33.7992 175.0263 118 I 4.7224 8.7959 122.5677 59.8410 40.5693 173.5280 119 Y 5.0423 8.9273 128.1146 55.6987 40.9067 174.5852 120 L 4.9489 8.2658 125.9097 53.1263 45.7388 175.8083 121 G 4.4726 8.3187 105.7508 45.7371 0.0000 172.6248 122 G 4.2902 9.1801 110.7079 45.9159 0.0000 171.9665 123 V 5.0767 8.2657 120.2323 61.3485 32.8721 174.9928 124 F 4.9399 9.2851 125.5432 55.6263 43.5040 173.5891 125 Q 4.8077 8.8974 123.2254 55.6941 29.7234 174.8057 126 L 5.0506 9.4368 125.9705 53.0015 46.3265 175.1094 127 E 5.0603 9.5057 119.8765 53.9009 32.8821 175.6544 128 K 3.9639 8.7871 123.6032 59.0521 32.1811 176.5391 129 G 4.0342 9.1674 115.1167 44.9276 0.0000 173.1588 130 D 4.7296 8.1772 120.2421 54.4470 42.1790 175.7059 131 R 5.0970 8.4641 119.6374 54.5140 33.7676 174.7942 132 L 5.2288 8.4765 120.3724 53.1574 45.6009 175.6681 133 S 4.9985 9.3005 119.2188 56.5981 65.8026 172.9568 134 A 4.7340 8.6189 125.6704 50.1800 20.5234 175.0252 135 E 4.9905 9.0896 121.0190 55.1207 34.2716 175.0746 136 I 5.7838 8.5321 113.9652 58.3509 40.3649 175.0434 137 N 4.6469 8.3796 122.0478 54.2575 38.3873 175.8534 138 R 4.8116 7.9735 117.1841 52.0580 30.4651 174.0134 139 P 4.2444 0.0000 0.0000 65.1173 31.8071 179.3589 140 D 4.1753 8.0420 118.8863 56.4010 39.5775 177.0366 141 Y 4.7613 8.2243 116.1634 57.6392 37.9109 174.8335 142 L 4.0880 7.5027 122.6100 54.7115 42.5326 176.1544 143 D 4.5675 8.5277 125.4403 52.5607 41.6578 174.7676 144 F 5.0343 8.0339 120.1476 56.2060 38.6441 176.0564 145 A 4.2435 8.1820 128.1508 55.8442 18.2416 179.1392 146 E 4.9127 7.8084 108.7601 53.5860 33.6807 178.5201 147 S 4.3170 8.4461 114.9504 60.6329 63.3687 175.2889 148 G 4.1527 9.0191 110.9724 46.0030 0.0000 174.0617 149 Q 4.4728 8.0869 119.2000 56.9393 30.7175 175.6693 150 V 4.9329 7.8968 118.9449 61.2126 34.6142 174.1531 151 Y 5.3393 8.7602 124.9442 56.5375 42.2515 173.3625 152 F 5.1106 8.9586 121.3076 57.1309 43.1302 173.1115 153 G 3.9353 8.3176 111.8604 45.0282 0.0000 171.6848 154 I 5.6762 7.9957 112.7307 58.7137 41.7439 174.0294 155 I 5.0073 8.3763 123.3805 59.4403 41.2952 173.6221 156 A 3.4434 8.7089 135.0000 52.1062 18.7606 177.9807 *157 L 3.9844 8.4291 122.6668 54.4617 41.7274 173.4740 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 9 S 8.29 4.43 0.00 3.67 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 10 D 8.54 4.80 0.00 2.77 2.56 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 11 K 8.33 4.38 0.00 1.68 1.76 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.37 7.81 12 P 0.00 4.65 0.00 2.23 2.12 0.00 3.54 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 13 V 8.32 5.15 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 0.69 0.00 0.00 1.02 0.00 0.00 14 A 9.00 4.78 1.04 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 0.00 0.00 15 H 9.16 4.70 0.00 3.27 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.32 4.63 2.42 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 0.71 0.00 0.00 0.67 0.00 0.00 17 V 8.89 5.33 2.26 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 0.90 0.00 0.00 1.07 0.00 0.00 18 A 8.45 4.45 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 19 N 8.80 4.48 0.00 2.65 2.74 0.00 0.00 7.39 7.27 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 20 P 0.00 2.97 0.00 1.92 1.61 0.00 3.60 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 21 Q 8.26 4.27 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 22 A 7.51 4.48 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 23 E 8.92 3.81 0.00 2.15 1.85 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 2.13 1.85 0.00 24 G 8.15 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 0.00 0.00 0.00 0.00 25 Q 7.42 4.31 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 26 L 8.20 4.23 0.00 1.30 1.36 0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.88 4.59 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 28 W 9.31 5.15 0.00 3.28 3.13 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 29 S 9.42 4.86 0.00 3.90 3.68 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 30 N 8.91 4.80 0.00 2.86 2.91 0.00 0.00 6.15 7.67 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 31 R 7.72 4.32 0.00 1.85 1.95 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 32 R 7.13 4.57 0.00 1.72 1.78 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 33 A 8.32 4.09 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 34 N 8.94 4.23 0.00 2.94 3.00 0.00 0.00 6.76 7.35 0.00 0.00 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 A 7.71 5.15 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 36 L 8.34 4.68 0.00 1.69 1.51 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.74 4.59 0.00 1.56 1.51 0.82 0.93 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 38 A 8.35 4.73 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 39 N 9.96 4.42 0.00 2.95 2.90 0.00 0.00 7.31 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 40 G 8.46 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 41 V 7.20 4.00 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 0.72 0.00 0.00 1.05 0.00 0.00 42 E 8.60 4.79 0.00 1.93 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 2.19 2.36 0.00 43 L 8.39 4.87 0.00 1.64 1.59 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.37 4.20 0.00 1.77 1.37 0.00 3.25 0.00 0.00 3.21 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 45 D 9.09 4.62 0.00 2.66 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 46 N 8.22 4.58 0.00 2.91 3.05 0.00 0.00 7.16 7.05 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 47 Q 7.73 5.03 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 48 L 8.23 4.91 0.00 1.25 1.31 -0.35 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.56 4.51 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 0.88 0.00 0.00 0.96 0.00 0.00 50 V 8.62 3.94 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 0.75 0.00 0.00 0.18 0.00 0.00 51 P 0.00 4.16 0.00 2.27 2.24 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 52 I 7.41 4.68 1.92 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 1.34 0.99 1.00 0.00 0.00 53 E 8.84 4.51 0.00 2.03 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 2.54 2.67 0.00 54 G 7.79 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 55 L 7.67 5.00 0.00 1.56 1.60 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.48 5.21 0.00 3.01 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 57 L 8.94 4.84 0.00 1.88 1.68 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.38 5.23 2.22 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 1.36 1.03 0.94 0.00 0.00 59 Y 8.32 5.42 0.00 3.14 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 60 S 8.44 4.96 0.00 3.60 3.43 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 61 Q 8.38 5.50 0.00 1.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 62 V 8.03 4.52 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.51 0.00 0.00 63 L 7.84 5.05 0.00 1.84 1.49 1.17 0.97 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 64 F 9.23 5.41 0.00 3.36 3.05 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 65 K 8.56 4.08 0.00 1.15 1.22 0.00 1.62 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.46 0.21 7.81 66 G 6.59 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 0.00 0.00 0.00 67 Q 8.53 4.41 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 5.68 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 68 G 9.11 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 69 C 8.35 4.87 0.00 3.03 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 70 P 0.00 4.37 0.00 2.17 2.16 0.00 4.02 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 71 S 8.44 3.17 0.00 3.93 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 72 T 7.97 3.15 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 1.19 0.00 0.00 73 H 8.30 4.76 0.00 3.04 3.08 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.26 4.00 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 1.04 0.00 0.00 0.93 0.00 0.00 75 L 8.47 4.87 0.00 1.47 1.46 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.15 4.83 0.00 1.16 0.57 0.73 -1.04 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 77 T 9.05 5.19 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 1.19 0.00 0.00 78 H 8.85 5.63 0.00 3.37 3.22 0.00 5.56 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 79 T 9.29 5.07 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 1.22 0.00 0.00 80 I 8.67 5.35 1.68 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.73 0.74 0.00 0.00 81 S 8.39 5.02 0.00 3.68 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 82 R 8.53 4.59 0.00 1.76 1.72 0.00 3.15 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 83 I 9.13 3.92 1.97 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 1.16 0.70 0.90 0.00 0.00 84 A 8.15 3.96 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 85 V 7.55 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 86 S 7.36 4.28 0.00 3.81 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 *87 Y 8.82 3.38 0.00 2.45 2.21 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 88 Q 7.90 4.40 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 89 T 7.96 3.80 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 1.21 0.00 0.00 90 K 8.79 4.36 0.00 1.80 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.42 7.81 91 V 8.13 4.41 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 0.72 0.00 0.00 0.93 0.00 0.00 92 N 8.81 4.68 0.00 2.62 2.79 0.00 0.00 7.12 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 93 L 8.84 4.33 0.00 1.12 0.78 0.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.36 4.94 0.00 1.46 1.50 1.02 1.02 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 95 S 8.49 5.09 0.00 3.82 3.68 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 96 A 8.77 4.89 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 97 I 8.17 4.89 1.85 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 1.34 0.71 0.87 0.00 0.00 98 K 9.08 4.68 0.00 1.53 1.50 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.40 7.81 99 S 8.61 4.66 0.00 3.65 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 0.00 100 P 0.00 3.94 0.00 0.54 1.32 0.00 3.51 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.00 101 C 7.47 4.53 0.00 2.80 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 0.00 102 Q 8.42 4.13 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 103 R 6.93 4.57 0.00 1.78 1.63 0.00 3.33 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 104 E 7.71 5.50 0.00 1.93 1.74 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 1.97 1.68 0.00 105 T 8.18 4.32 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 1.20 0.00 0.00 106 P 0.00 4.35 0.00 2.20 2.10 0.00 3.76 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 1.99 1.96 0.00 107 E 8.34 4.31 0.00 2.01 1.81 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 2.21 1.87 0.00 108 G 10.46 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 0.00 0.00 0.00 0.00 109 A 7.45 4.53 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 0.00 110 E 8.31 4.53 0.00 1.99 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 2.16 1.85 0.00 111 A 8.32 4.22 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 0.00 112 K 8.47 4.71 0.00 1.95 1.99 0.00 1.50 0.00 0.00 1.99 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 113 P 0.00 4.89 0.00 2.00 1.99 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 114 W 8.40 5.06 0.00 3.36 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 0.00 115 Y 8.83 5.07 0.00 2.90 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 0.00 116 E 9.93 4.84 0.00 2.23 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 0.00 2.63 2.39 0.00 117 P 0.00 5.46 0.00 2.18 2.15 0.00 3.85 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 2.02 2.08 0.00 118 I 8.80 4.72 2.06 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 1.29 1.07 1.06 0.00 0.00 119 Y 8.93 5.04 0.00 3.06 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 0.00 120 L 8.27 4.95 0.00 1.41 1.43 0.96 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 0.00 121 G 8.32 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.18 4.29 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 0.00 123 V 8.27 5.08 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 0.88 0.00 0.00 0.98 0.00 0.00 124 F 9.29 4.94 0.00 3.08 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 0.00 125 Q 8.90 4.81 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 126 L 9.44 5.05 0.00 1.58 1.38 0.32 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.51 5.06 0.00 1.92 1.83 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 2.25 2.38 0.00 128 K 8.79 3.96 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.67 7.81 129 G 9.17 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 0.00 130 D 8.18 4.73 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.46 5.10 0.00 1.68 1.79 0.00 3.21 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 132 L 8.48 5.23 0.00 1.60 1.65 0.72 0.74 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 0.00 133 S 9.30 5.00 0.00 3.67 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 0.00 134 A 8.62 4.73 0.03 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 0.00 135 E 9.09 4.99 0.00 1.92 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 2.27 2.24 0.00 136 I 8.53 5.78 2.20 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.78 0.90 0.00 0.00 137 N 8.38 4.65 0.00 2.93 3.01 0.00 0.00 6.72 7.70 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 0.00 138 R 7.97 4.81 0.00 2.05 2.15 0.00 3.60 0.00 0.00 3.39 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 139 P 0.00 4.24 0.00 2.34 2.27 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 140 D 8.04 4.18 0.00 2.52 2.78 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 0.00 141 Y 8.22 4.76 0.00 3.53 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 0.00 142 L 7.50 4.09 0.00 1.64 0.99 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.53 4.57 0.00 2.51 2.66 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 0.00 144 F 8.03 5.03 0.00 2.95 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 0.00 145 A 8.18 4.24 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.81 4.91 0.00 1.95 1.68 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 2.11 1.85 0.00 147 S 8.45 4.32 0.00 3.90 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 0.00 148 G 9.02 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 0.00 149 Q 8.09 4.47 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.14 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 150 V 7.90 4.93 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 1.09 0.00 0.00 0.94 0.00 0.00 151 Y 8.76 5.34 0.00 3.05 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 0.00 152 F 8.96 5.11 0.00 1.51 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 0.00 0.00 0.00 0.00 153 G 8.32 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 0.00 154 I 8.00 5.68 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.79 0.57 0.00 0.00 155 I 8.38 5.01 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 1.09 0.00 0.00 156 A 8.71 3.44 0.71 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 0.00 0.00 *157 L 8.43 3.98 0.00 1.30 1.45 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.