NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4844 8.3644 120.3183 52.6523 40.9155 173.4280 3 D 4.1446 8.5755 118.3541 52.9936 40.9280 172.2437 4 V 3.6709 9.4261 129.0251 64.7704 32.2413 177.7520 5 L 4.3015 8.2457 118.9833 56.3866 41.6926 177.6942 6 R 4.7046 8.1574 116.6926 56.1342 30.3386 176.5351 7 R 4.4371 7.8152 116.5261 56.0377 30.6702 175.7840 8 N 5.1320 7.7788 113.0590 50.5189 40.4629 173.4267 9 P 4.3029 0.0000 0.0000 65.0938 31.9032 178.1153 10 L 3.9622 8.0489 119.6159 57.8031 42.1971 177.4501 11 F 5.0750 8.5213 114.9704 56.9880 39.6142 177.2594 12 A 4.2136 7.9984 124.0033 54.5211 18.0553 178.7512 13 A 4.3862 7.9269 114.8595 52.6341 19.2341 177.5798 14 L 4.3401 7.7952 117.1429 54.4468 42.3966 177.6636 15 D 4.7506 8.9123 123.1402 52.4647 42.1754 177.0733 16 D 4.3807 8.5867 118.2474 57.8731 40.6742 178.7805 17 E 4.0232 8.2262 118.9990 59.1600 29.7117 178.4934 18 Q 4.0877 8.9873 118.7189 58.9418 28.6807 178.7502 19 S 4.0168 8.3055 113.9892 61.2143 62.4075 176.0039 20 A 3.9482 7.9472 123.4681 55.3919 17.9307 179.5486 21 E 3.9416 8.2121 115.9286 59.1010 29.7968 178.9543 22 L 3.3879 8.1374 120.7794 57.8337 41.8548 179.0275 23 R 3.6551 7.7795 117.2865 59.3648 30.1602 178.1743 24 A 4.1000 7.8966 118.9753 54.3454 18.3945 177.9473 25 S 4.3724 7.3283 113.1321 58.1443 64.7994 174.1560 *27 S 4.2354 7.6382 116.6319 58.3012 64.4011 173.1470 28 E 4.6466 8.7795 125.5502 56.0110 30.5905 175.7589 29 V 4.5011 9.1577 126.0059 61.4483 34.7622 173.9828 30 T 5.0853 8.6690 124.0172 61.7827 70.7378 173.5806 31 L 4.9527 9.1133 125.5868 52.7617 45.1562 176.2289 32 A 4.5610 9.4385 124.9038 50.8621 20.2794 177.0004 33 R 4.1773 7.8145 119.0577 57.4605 30.4224 176.7824 34 G 4.0161 9.1214 114.3988 45.1983 0.0000 173.6033 35 D 4.4562 7.8078 119.9263 54.8609 42.0446 175.3097 36 T 4.5919 8.1672 116.9561 60.6760 68.1037 174.1663 37 L 4.1309 8.5364 132.3132 57.8861 42.6997 176.6971 38 F 4.9622 7.0505 110.9221 56.2860 41.1198 172.6504 39 H 5.1769 9.9734 117.8491 53.9735 30.8939 174.6432 40 E 4.3207 8.2571 122.7954 57.4687 29.7786 177.4342 41 G 4.0308 9.1691 115.2927 45.1091 0.0000 173.5094 42 D 4.6156 8.0229 119.7374 53.5428 42.1442 174.2864 43 P 4.5255 0.0000 0.0000 62.8459 32.3327 175.9705 44 G 4.0381 8.6506 111.0232 43.9664 0.0000 173.5383 45 D 4.8012 8.2386 125.1434 52.7025 40.8427 174.4142 46 R 4.7779 7.6876 118.0601 55.5549 33.2477 173.8389 47 L 4.7229 8.4587 128.1359 54.1471 44.2012 174.6775 48 Y 5.2657 9.4368 121.8946 56.1952 42.2918 174.4929 49 V 4.8496 8.8238 122.6025 60.9117 34.0654 175.0687 50 V 4.0987 8.6861 129.1606 63.4596 31.8781 176.2556 51 T 4.6306 9.0665 117.6024 62.1174 71.0767 174.1143 52 E 4.5591 8.1672 118.5548 56.4602 32.9121 176.4100 53 G 4.1825 9.0540 108.5544 45.5773 0.0000 172.1271 54 K 4.8489 8.1637 115.7568 54.5157 36.5722 175.6864 55 V 4.5938 8.6118 123.9806 60.9329 34.1476 174.0921 56 K 4.6638 9.1417 130.2389 55.5543 33.3851 175.0178 57 L 5.1856 9.0531 128.4581 53.6580 43.4409 175.3695 58 H 5.1728 9.3716 119.0238 53.8620 32.5992 172.1901 59 R 4.8960 8.8370 119.8804 54.5038 33.4612 174.5994 60 T 4.4273 8.2300 121.9961 63.3301 68.8981 174.8268 61 S 4.4087 9.2103 123.7907 57.3900 63.6357 173.7444 62 P 4.4650 0.0000 0.0000 65.3951 31.1049 177.1191 63 D 4.5178 8.0433 115.1084 53.4068 39.9686 177.2050 64 G 3.9862 8.5941 109.1769 45.2341 0.0000 174.2144 65 R 4.2219 7.5694 118.6322 55.5471 30.7921 175.5564 66 E 4.6250 8.5327 120.1267 56.2830 30.9312 175.7980 67 N 5.5111 9.1385 122.8575 52.6308 40.7031 174.6568 *69 L 4.3893 8.5441 113.0615 54.9578 44.1291 177.1506 70 A 4.4977 7.5759 116.3793 51.0583 23.2515 175.4196 71 V 4.6794 8.4471 119.6657 61.0743 33.8405 174.8569 72 V 4.3712 9.1971 128.6385 61.3927 33.6701 175.0935 73 G 4.6167 10.2802 116.1386 43.4119 0.0000 170.4305 74 P 4.6559 0.0000 0.0000 64.2543 31.5213 177.3737 75 S 4.4977 8.9787 116.0079 59.1380 63.1139 169.0798 76 E 4.6573 7.9761 120.7087 55.2716 31.6398 175.0218 77 L 5.2228 8.3423 121.0456 53.8597 43.7628 176.2376 78 I 4.5125 8.7058 122.6456 60.2209 41.4301 176.2773 79 G 3.9961 9.0194 113.5578 46.8224 0.0000 174.8911 80 E 3.8198 8.4910 121.5821 59.3928 29.3633 178.7649 81 L 4.2450 7.9003 117.7104 57.0787 41.4827 179.2341 82 S 4.2173 7.9391 114.1997 60.8331 62.5878 176.1158 83 L 3.7556 7.1406 123.8288 58.1130 41.7717 178.4472 84 F 4.9618 7.5237 115.3539 58.6012 40.5695 175.5779 85 D 4.7041 8.1784 117.1641 50.9448 41.1890 172.0741 86 P 4.4116 0.0000 0.0000 62.9585 32.7593 175.3719 87 G 4.0077 8.5212 108.7274 44.8650 0.0000 170.5925 88 P 4.8280 0.0000 0.0000 62.7413 32.0533 177.2083 89 R 3.9515 9.0429 123.7091 56.6989 30.8808 177.3586 90 T 4.4455 8.5997 111.8633 61.3014 69.6593 173.5030 91 A 4.8740 7.5348 122.7943 51.3164 23.3611 175.1503 92 T 4.6323 9.3052 116.7411 62.0253 70.9082 174.2136 93 G 3.9398 7.9913 113.0585 44.5631 0.0000 172.3402 94 T 5.0334 8.7945 121.9104 61.2499 72.4538 173.3170 95 A 4.4974 8.8776 128.4650 52.1181 18.7595 178.1201 96 L 4.3492 8.8374 123.2002 57.0477 42.2726 176.4910 97 T 4.5948 7.3991 112.5547 60.2718 71.5409 171.8057 98 E 4.2959 8.7552 124.1913 56.4020 30.8731 175.5191 99 V 4.7346 8.9338 126.0139 61.0535 35.2697 174.0922 100 K 5.1804 8.8670 126.1247 54.7886 35.2861 175.1775 101 L 5.2549 9.0114 122.5342 53.2592 46.9908 174.9421 102 L 5.2204 8.9630 120.4966 53.0691 44.0578 175.5511 103 A 5.0364 9.0804 125.3613 49.8718 21.9064 175.2242 104 L 4.4512 8.6000 123.0906 53.1480 45.1505 176.1689 105 G 4.1180 8.8893 113.5424 45.2768 0.0000 174.0785 106 H 4.4285 9.6706 121.3179 59.2246 29.5636 177.9180 107 G 3.6905 8.0900 105.9864 47.6562 0.0000 174.5143 108 D 4.5830 8.0466 119.8742 55.6435 40.9160 178.5164 109 L 4.1861 7.8325 121.8876 58.2160 42.1184 178.5801 110 Q 3.9581 8.0115 118.9664 58.7771 28.9271 175.8136 111 P 4.2663 0.0000 0.0000 65.5347 31.4189 178.0307 112 W 4.4654 7.8655 125.5543 60.7210 30.9738 177.9112 113 L 3.7977 8.4318 118.9410 57.1779 40.8111 178.8690 114 N 4.3087 8.2960 116.3440 55.4170 38.4452 175.9630 115 V 4.3678 7.4550 109.9000 60.9999 33.4867 176.0699 116 R 4.6011 7.8930 118.9146 53.5350 30.4615 174.5064 117 P 4.2181 0.0000 0.0000 65.6088 31.9196 178.2895 118 E 3.9709 7.9986 120.2856 58.4199 29.4716 178.7621 119 V 3.4661 7.5693 117.6308 65.8680 31.6479 177.5651 120 A 3.8674 7.7682 120.7091 55.4096 17.7845 179.7130 121 T 3.7468 7.9626 107.9772 64.7770 68.8089 176.4702 122 A 4.0378 8.0485 123.6448 54.9794 18.3951 179.6517 123 L 3.9994 8.1943 117.6215 57.9172 41.6431 179.7372 124 L 3.8072 7.9426 118.9656 57.5959 41.4446 179.4698 125 R 3.8088 8.1397 118.4734 59.3576 29.9010 178.4261 126 A 3.9454 7.9967 120.3853 55.1120 18.2820 179.7388 127 V 3.4910 7.8295 116.5017 66.1910 31.5874 178.0049 128 A 3.9631 8.0780 120.5898 55.2120 18.1727 179.5408 129 R 3.8421 8.3780 117.5451 59.5099 30.1035 178.8438 130 R 3.9233 7.7390 118.0418 59.4083 30.0976 178.9948 131 L 3.9938 7.6985 118.5378 57.7437 41.5741 179.6222 132 R 3.9063 8.3404 119.3863 59.2372 29.8303 178.7252 133 K 4.0519 8.4436 118.0312 60.0997 32.9943 178.6294 134 T 3.9185 7.8852 116.6881 67.4326 68.2384 175.7887 135 N 4.5207 8.0349 117.1053 55.7481 38.8470 177.1362 136 D 4.5190 8.0530 119.5045 56.2767 40.7905 177.0880 137 A 4.4994 7.3967 120.3115 51.4637 19.8196 176.6883 *144 S 4.2804 7.4566 115.5707 60.3426 63.9585 173.4744 145 D 4.6639 8.3737 117.4813 53.1432 43.0825 176.2886 146 G 4.0201 8.2772 112.6393 45.6157 0.0000 173.2511 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 2 D 8.36 4.48 0.00 2.82 2.81 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 3 D 8.58 4.14 0.00 2.79 2.67 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 4 V 9.43 3.67 2.09 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 0.77 0.00 0.00 0.95 0.00 0.00 5 L 8.25 4.30 0.00 1.79 1.76 0.75 0.63 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 6 R 8.16 4.70 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 7 R 7.82 4.44 0.00 1.83 1.97 0.00 3.42 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 8 N 7.78 5.13 0.00 2.87 2.88 0.00 0.00 6.13 7.76 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 9 P 0.00 4.30 0.00 2.05 2.16 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 10 L 8.05 3.96 0.00 1.38 1.30 1.06 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.52 5.08 0.00 3.37 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 12 A 8.00 4.21 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 13 A 7.93 4.39 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 14 L 7.80 4.34 0.00 1.95 1.70 1.15 1.26 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 15 D 8.91 4.75 0.00 2.98 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 16 D 8.59 4.38 0.00 2.80 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 17 E 8.23 4.02 0.00 2.09 1.95 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 2.39 2.55 0.00 18 Q 8.99 4.09 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 19 S 8.31 4.02 0.00 3.92 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 20 A 7.95 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 21 E 8.21 3.94 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 22 L 8.14 3.39 0.00 1.58 1.70 -0.40 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.78 3.66 0.00 1.73 2.03 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 24 A 7.90 4.10 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 25 S 7.33 4.37 0.00 3.53 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 *27 S 7.64 4.24 0.00 3.77 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 28 E 8.78 4.65 0.00 1.97 1.84 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 2.43 2.25 0.00 29 V 9.16 4.50 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 1.06 0.00 0.00 1.07 0.00 0.00 30 T 8.67 5.09 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 1.24 0.00 0.00 31 L 9.11 4.95 0.00 1.45 1.46 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 A 9.44 4.56 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 33 R 7.81 4.18 0.00 1.76 1.84 0.00 3.02 0.00 0.00 2.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 34 G 9.12 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 35 D 7.81 4.46 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.59 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 37 L 8.54 4.13 0.00 1.29 1.15 0.36 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.05 4.96 0.00 3.03 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 39 H 9.97 5.18 0.00 3.56 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.26 4.32 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 41 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 42 D 8.02 4.62 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 1.92 1.97 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 44 G 8.65 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 0.00 0.00 0.00 45 D 8.24 4.80 0.00 2.65 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 46 R 7.69 4.78 0.00 1.66 1.52 0.00 3.16 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.37 0.00 47 L 8.46 4.72 0.00 1.62 1.33 0.84 0.74 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 48 Y 9.44 5.27 0.00 2.88 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 49 V 8.82 4.85 2.15 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 1.09 0.00 0.00 1.07 0.00 0.00 50 V 8.69 4.10 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 1.02 0.00 0.00 0.93 0.00 0.00 51 T 9.07 4.63 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 52 E 8.17 4.56 0.00 2.01 2.03 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 2.26 2.36 0.00 53 G 9.05 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 0.00 0.00 0.00 54 K 8.16 4.85 0.00 1.64 1.62 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 55 V 8.61 4.59 1.99 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 0.74 0.00 0.00 0.80 0.00 0.00 56 K 9.14 4.66 0.00 1.79 1.63 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.40 7.81 57 L 9.05 5.19 0.00 1.69 1.58 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.37 5.17 0.00 3.14 3.31 0.00 5.40 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 59 R 8.84 4.90 0.00 1.88 1.78 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 60 T 8.23 4.43 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 1.23 0.00 0.00 61 S 9.21 4.41 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 62 P 0.00 4.46 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 63 D 8.04 4.52 0.00 2.78 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 64 G 8.59 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 65 R 7.57 4.22 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 66 E 8.53 4.63 0.00 1.96 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 2.41 2.23 0.00 67 N 9.14 5.51 0.00 2.73 2.71 0.00 0.00 6.96 7.32 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 *69 L 8.54 4.39 0.00 1.75 1.77 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.58 4.50 1.20 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 71 V 8.45 4.68 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 0.80 0.00 0.00 0.92 0.00 0.00 72 V 9.20 4.37 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 1.04 0.00 0.00 0.94 0.00 0.00 73 G 10.28 4.62 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 0.00 0.00 0.00 74 P 0.00 4.66 0.00 2.06 2.17 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 75 S 8.98 4.50 0.00 4.17 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 76 E 7.98 4.66 0.00 2.11 1.91 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 2.28 2.29 0.00 77 L 8.34 5.22 0.00 1.54 1.61 0.82 0.89 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 78 I 8.71 4.51 2.13 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 1.24 0.00 0.00 79 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.82 0.00 2.03 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 2.38 2.34 0.00 81 L 7.90 4.25 0.00 1.76 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.94 4.22 0.00 4.09 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 83 L 7.14 3.76 0.00 1.26 1.23 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.52 4.96 0.00 3.13 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 85 D 8.18 4.70 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.41 0.00 1.90 2.01 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.08 0.00 87 G 8.52 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 88 P 0.00 4.83 0.00 1.93 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 89 R 9.04 3.95 0.00 1.76 1.95 0.00 2.21 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 90 T 8.60 4.45 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 1.27 0.00 0.00 91 A 7.53 4.87 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 92 T 9.31 4.63 3.86 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 1.10 0.00 0.00 93 G 7.99 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 94 T 8.79 5.03 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 1.22 0.00 0.00 95 A 8.88 4.50 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 96 L 8.84 4.35 0.00 1.61 1.70 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.40 4.59 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 1.23 0.00 0.00 98 E 8.76 4.30 0.00 2.07 1.79 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 2.59 2.30 0.00 99 V 8.93 4.73 2.02 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 0.90 0.00 0.00 0.94 0.00 0.00 100 K 8.87 5.18 0.00 1.72 1.65 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.51 7.81 101 L 9.01 5.25 0.00 1.70 1.75 0.91 0.63 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 0.00 102 L 8.96 5.22 0.00 1.56 1.51 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.08 5.04 1.02 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 0.00 104 L 8.60 4.45 0.00 1.49 1.33 0.58 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.89 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.67 4.43 0.00 3.24 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.09 3.69 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 0.00 0.00 0.00 108 D 8.05 4.58 0.00 2.82 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 0.00 109 L 7.83 4.19 0.00 1.88 1.80 1.38 0.77 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 0.00 110 Q 8.01 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 111 P 0.00 4.27 0.00 2.13 2.16 0.00 3.85 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 2.06 2.19 0.00 112 W 7.87 4.47 0.00 3.18 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.43 3.80 0.00 1.66 1.56 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.30 4.31 0.00 2.71 2.90 0.00 0.00 6.79 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 0.00 115 V 7.45 4.37 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 0.75 0.00 0.00 0.93 0.00 0.00 116 R 7.89 4.60 0.00 1.51 1.49 0.00 2.96 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 117 P 0.00 4.22 0.00 2.21 2.25 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 118 E 8.00 3.97 0.00 1.98 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 0.00 2.35 2.15 0.00 119 V 7.57 3.47 1.78 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 0.41 0.00 0.00 0.83 0.00 0.00 120 A 7.77 3.87 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 0.00 121 T 7.96 3.75 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 1.24 0.00 0.00 122 A 8.05 4.04 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 0.00 123 L 8.19 4.00 0.00 1.78 1.73 1.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.94 3.81 0.00 1.76 1.63 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.14 3.81 0.00 1.94 2.09 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 126 A 8.00 3.95 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 0.00 127 V 7.83 3.49 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 0.94 0.00 0.00 0.78 0.00 0.00 128 A 8.08 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.38 3.84 0.00 1.99 2.12 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 130 R 7.74 3.92 0.00 2.12 1.97 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 131 L 7.70 3.99 0.00 1.85 1.71 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.34 3.91 0.00 1.83 2.04 0.00 3.08 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 133 K 8.44 4.05 0.00 1.90 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.71 1.47 7.81 134 T 7.89 3.92 4.52 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 1.22 0.00 0.00 135 N 8.03 4.52 0.00 2.69 2.87 0.00 0.00 7.21 8.91 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 0.00 136 D 8.05 4.52 0.00 2.88 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 0.00 137 A 7.40 4.50 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 *144 S 7.46 4.28 0.00 3.90 3.87 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 0.00 145 D 8.37 4.66 0.00 2.58 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 0.00 146 G 8.28 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 * Residues marked with a * may have inaccurate shift predictions.