NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 S 4.4026 8.3349 117.0992 58.0298 64.2633 174.2176 0 H 4.5610 8.1729 119.3433 53.8593 30.5362 172.8399 1 M 4.2464 8.4651 119.9303 55.2249 33.2271 176.5845 2 V 3.7482 8.0883 122.0199 62.5690 32.5094 175.9243 3 V 4.0053 8.3817 127.1675 61.4583 32.7328 174.4897 4 E 5.2269 8.8337 123.2164 54.2843 32.5918 174.5883 5 L 4.9052 9.2025 122.4481 52.7770 44.9987 175.0055 6 A 5.1821 8.2239 124.5835 50.4746 21.0537 175.4601 7 Y 4.9920 9.0206 120.0010 56.3441 41.5258 177.2873 8 T 3.8576 9.4534 119.9481 66.1221 68.7589 175.1247 9 D 4.6762 7.8756 121.8072 50.4071 41.9269 174.2454 10 P 4.2818 0.0000 0.0000 64.9261 31.2434 178.3281 11 D 4.3203 8.0716 117.9231 57.5673 40.8106 178.6345 12 R 3.8975 7.9224 118.2955 59.0754 30.1221 178.0836 13 A 3.6667 7.5471 120.6397 54.9957 18.2648 179.6036 14 V 3.5499 8.1135 116.9761 66.4021 31.5934 177.8736 15 D 4.3301 7.8042 118.5591 57.1221 40.6290 178.6973 16 W 3.8111 8.5489 129.1445 60.4629 30.6359 178.0756 17 L 3.6311 8.3952 119.4032 57.5509 40.5876 179.7395 18 V 4.0513 7.6859 119.6696 65.3414 31.2422 178.1533 19 R 3.6858 7.4260 117.3624 59.2983 30.0942 178.3919 20 V 3.1740 6.9192 116.8252 65.5464 31.5773 177.4375 21 F 4.4711 7.0832 113.4308 56.7308 39.0569 176.3514 22 G 3.8744 7.6319 105.9998 46.9672 0.0000 173.8025 23 F 5.0994 7.7492 118.4821 57.3319 40.4766 174.3688 24 R 4.8067 8.6943 116.4725 54.1495 32.5040 174.4399 25 L 4.3255 8.7067 124.8376 55.4797 42.0811 176.0032 26 L 4.5810 8.8129 126.4735 56.4062 43.3293 177.1739 27 L 4.8125 7.5578 116.5328 53.5171 46.1499 174.9242 28 R 5.2020 8.5051 118.0315 54.9347 33.1474 174.4584 29 Q 4.6887 9.3059 119.8917 53.8724 33.2021 173.2835 30 P 4.6781 0.0000 0.0000 61.9919 32.4065 176.1881 31 A 4.1366 8.6667 121.8778 54.4999 18.4174 178.1793 32 I 4.4519 7.8508 115.0960 60.7009 40.0686 175.7216 33 G 3.8708 8.6577 110.1497 44.2682 0.0000 172.5381 34 T 4.1518 8.1489 114.9473 61.9223 68.0653 174.9447 35 I 4.0230 8.7143 129.9689 61.3774 37.6840 175.7417 36 R 4.4910 8.9856 126.0238 57.9886 31.5213 175.8910 37 H 5.2854 8.0150 116.6120 54.9364 33.5955 172.1729 38 A 5.1001 8.7068 125.2928 50.6154 23.2201 174.4525 39 D 5.3808 9.1512 121.0311 52.5655 43.5528 175.4329 40 L 5.1485 8.7967 123.3677 52.8567 45.2648 175.0728 41 D 4.9522 9.0303 124.2333 53.7383 41.8011 176.9766 42 T 3.1316 8.8254 116.8368 61.8126 69.3691 175.9706 43 G 4.0915 10.1718 111.1945 45.6776 0.0000 174.2399 44 G 4.4050 7.6630 107.1080 44.7775 0.0000 172.0088 45 G 3.9687 8.1560 105.1657 43.3453 0.0000 173.1871 46 I 4.9749 7.9983 112.6021 59.2523 39.7467 175.4668 47 V 4.7403 8.5400 116.7625 60.0089 35.5919 174.2897 48 M 4.9837 8.9274 122.9601 54.1524 34.1084 175.5670 49 V 5.2411 8.8826 116.9730 59.8183 35.1751 174.9860 50 R 5.1595 9.1180 120.0107 54.9192 33.5682 174.1162 51 R 4.7012 8.6046 118.1134 56.3182 31.0989 177.7089 52 T 4.0173 8.3034 119.5558 66.2799 67.4576 173.9232 53 G 3.8077 9.4158 115.4827 43.6301 0.0000 171.8388 54 E 3.6935 8.5385 125.4002 54.5768 28.6758 171.7883 55 P 4.2226 0.0000 0.0000 62.4256 32.0519 176.1392 56 Y 4.6527 7.9510 120.0279 57.4949 38.9866 175.9214 57 T 4.1682 8.5885 112.6144 62.9397 70.0624 174.8865 58 V 4.2727 7.5505 122.5233 60.6996 32.9816 176.2407 59 S 4.1448 8.8388 122.1891 61.0060 62.4104 174.2021 60 C 4.4109 7.9047 111.8163 57.7274 29.9627 173.3869 61 A 4.2071 7.4321 123.6215 52.9787 18.6758 178.2266 62 G 3.4142 8.3959 107.6755 45.2518 0.0000 175.0484 63 G 3.7383 7.6271 108.4111 47.4025 0.0000 173.5470 64 H 4.8388 7.6059 116.6732 54.8663 32.9979 172.1137 65 T 4.4704 7.4515 116.8393 60.3693 69.8601 172.6307 66 C 4.3557 8.3765 129.5516 58.6044 32.6542 172.9987 67 K 4.4610 8.4275 124.7848 56.5430 34.4184 175.5820 68 Q 4.5953 7.7808 116.7361 54.3423 30.8686 174.7865 69 V 4.0967 8.0691 124.7394 60.8770 33.8526 174.3326 70 I 4.6926 8.1678 127.8656 59.5187 39.2137 174.9279 71 V 4.4947 8.5401 127.6922 60.8096 34.5020 174.1273 72 W 5.1486 9.0651 127.7364 55.7830 30.4966 175.5950 73 V 4.8140 8.7275 118.8389 59.4972 33.6944 176.4989 74 S 4.2605 9.0804 119.0144 60.9604 63.3690 174.1905 75 D 4.8425 7.7835 123.7702 51.2589 41.1449 175.8893 76 V 3.8636 8.0619 125.8423 64.0426 31.7875 178.1085 77 D 4.3152 8.0551 119.3548 57.3842 40.8513 177.9231 78 E 3.9607 8.2135 119.2928 59.5147 29.7237 178.1586 79 H 3.9440 8.1235 117.7533 59.2092 30.0383 176.9646 80 F 3.5526 8.6519 122.8161 61.4622 39.1488 176.9772 81 M 3.8189 8.4731 118.6843 58.2224 31.4866 178.7950 82 R 3.7502 7.8529 118.9009 59.3416 30.2500 178.7951 83 S 3.9763 7.6554 114.6003 61.8707 62.8186 176.6454 84 T 3.7150 7.4124 115.3804 64.8411 66.7777 176.2119 85 A 3.8842 7.5273 121.1786 54.2342 18.4359 178.4178 86 A 4.2187 7.3045 117.1272 51.1592 19.5058 176.9963 87 G 3.7300 8.0142 105.0807 46.3289 0.0000 174.5094 88 A 4.4106 7.8065 121.1215 51.5469 19.3700 178.8685 89 D 4.7518 8.6088 120.5437 54.2924 40.2262 173.7284 90 I 4.3217 8.1376 123.8153 61.2415 37.2197 175.7225 91 V 4.0840 8.7182 127.7949 64.6860 32.7481 176.0557 92 Q 4.5349 8.0069 121.8050 53.9253 31.8442 172.5697 93 P 4.7766 0.0000 0.0000 62.0553 32.5240 176.0438 94 L 3.9688 7.2626 124.4265 55.7591 42.2651 176.2737 95 Q 4.5388 8.7993 123.7754 54.2731 32.3284 174.1015 96 D 4.7136 8.6681 121.9829 54.3265 41.8525 175.5716 97 K 3.8940 8.9517 123.2455 53.0260 34.3834 177.3152 98 P 4.4458 0.0000 0.0000 61.9896 30.3091 176.5038 99 W 5.0684 7.8328 113.8365 56.2803 28.6889 175.6609 100 G 3.9695 8.7281 104.7356 46.2906 0.0000 173.5403 101 L 5.2973 7.5979 118.0839 52.4511 46.0574 175.5702 102 R 5.1560 8.2356 118.2554 54.6817 32.7642 174.2490 103 Q 5.5587 8.7738 117.9927 56.9653 32.5781 172.1553 104 Y 5.2450 8.2025 116.3843 55.8572 41.8188 173.4255 105 L 5.2629 8.5527 120.2948 53.4296 44.7664 176.0080 106 V 5.1382 8.5863 120.4387 60.9236 35.0812 173.1203 107 R 5.3376 9.1455 123.5993 55.2506 31.8201 176.4524 108 D 4.3492 9.0114 122.9296 51.7044 41.3126 176.9453 109 L 3.4204 6.2503 118.1727 57.5382 40.0655 177.1384 110 E 4.3932 8.4898 118.7474 55.7426 29.9901 176.2580 111 G 3.9651 8.3716 105.2352 45.3892 0.0000 173.7663 112 H 4.4146 8.1235 117.3295 55.5545 30.2491 174.0143 113 L 4.9882 8.5476 125.0593 54.0940 43.5539 175.1860 114 W 4.9312 9.4757 126.3933 54.7155 32.4597 174.0586 115 E 4.7570 8.9046 125.4567 54.3143 31.7276 174.3095 116 F 5.1804 8.2482 125.7146 56.0317 41.5360 174.8524 117 T 5.0422 8.5749 119.6589 61.5151 73.1680 174.3547 118 R 4.4777 8.6334 119.5964 56.5267 31.0465 176.2616 *128 W 4.5215 8.2963 120.2730 55.8661 30.2114 175.0345 129 G 4.1398 8.3422 105.8240 44.2403 0.0000 173.9509 130 A 4.6271 8.2510 122.2985 50.1484 20.9783 177.3283 131 V 4.1543 7.9864 119.8201 60.7460 32.9369 174.6611 132 A 4.0728 8.5591 132.9182 52.4811 18.9820 177.7785 133 M 4.1518 8.5105 124.0712 54.1632 30.7146 174.7076 *134 T 4.2236 8.2222 116.2568 60.2381 69.3381 171.7576 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *-1 S 8.33 4.40 0.00 3.57 3.64 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 0 H 8.17 4.56 0.00 3.18 3.26 0.00 5.87 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 1 M 8.47 4.25 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 2 V 8.09 3.75 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 0.83 0.00 0.00 0.94 0.00 0.00 3 V 8.38 4.01 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 0.78 0.00 0.00 0.84 0.00 0.00 4 E 8.83 5.23 0.00 2.00 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 2.21 2.36 0.00 5 L 9.20 4.91 0.00 1.68 1.26 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.22 5.18 1.17 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 0.00 0.00 7 Y 9.02 4.99 0.00 2.98 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 8 T 9.45 3.86 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 1.24 0.00 0.00 9 D 7.88 4.68 0.00 2.82 2.77 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 0.00 0.00 0.00 10 P 0.00 4.28 0.00 2.24 2.25 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 11 D 8.07 4.32 0.00 2.77 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 12 R 7.92 3.90 0.00 1.87 1.88 0.00 3.14 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 13 A 7.55 3.67 0.46 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 14 V 8.11 3.55 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 1.06 0.00 0.00 1.02 0.00 0.00 15 D 7.80 4.33 0.00 2.86 2.70 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 16 W 8.55 3.81 0.00 3.38 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 17 L 8.40 3.63 0.00 1.77 1.62 1.22 0.68 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 18 V 7.69 4.05 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 1.30 0.00 0.00 1.10 0.00 0.00 19 R 7.43 3.69 0.00 1.82 1.52 0.00 3.03 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 20 V 6.92 3.17 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 0.14 0.00 0.00 -0.69 0.00 0.00 21 F 7.08 4.47 0.00 1.86 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 0.00 0.00 0.00 22 G 7.63 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 0.00 0.00 0.00 23 F 7.75 5.10 0.00 3.01 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 24 R 8.69 4.81 0.00 1.89 2.03 0.00 2.80 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 25 L 8.71 4.33 0.00 1.71 1.66 1.00 1.00 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 26 L 8.81 4.58 0.00 1.69 1.72 0.94 1.06 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 27 L 7.56 4.81 0.00 1.60 1.56 0.97 0.84 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 28 R 8.51 5.20 0.00 1.76 1.86 0.00 3.18 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 29 Q 9.31 4.69 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 30 P 0.00 4.68 0.00 2.30 2.08 0.00 4.03 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 31 A 8.67 4.14 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 32 I 7.85 4.45 1.88 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 1.36 0.72 0.92 0.00 0.00 33 G 8.66 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 0.00 0.00 0.00 34 T 8.15 4.15 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 35 I 8.71 4.02 2.04 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 1.21 0.95 1.03 0.00 0.00 36 R 8.99 4.49 0.00 1.80 2.10 0.00 3.38 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 37 H 8.02 5.29 0.00 3.35 3.14 0.00 5.90 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 38 A 8.71 5.10 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 39 D 9.15 5.38 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.80 5.15 0.00 1.61 1.61 1.25 0.76 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 41 D 9.03 4.95 0.00 2.75 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 42 T 8.83 3.13 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 0.74 0.00 0.00 43 G 10.17 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.66 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 0.00 0.00 0.00 0.00 45 G 8.16 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.00 4.97 1.97 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 1.37 0.62 0.92 0.00 0.00 47 V 8.54 4.74 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 0.86 0.00 0.00 1.17 0.00 0.00 48 M 8.93 4.98 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 49 V 8.88 5.24 2.44 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 1.03 0.00 0.00 1.04 0.00 0.00 50 R 9.12 5.16 0.00 2.00 2.14 0.00 2.94 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 51 R 8.60 4.70 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 52 T 8.30 4.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 G 9.42 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 54 E 8.54 3.69 0.00 1.95 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 2.16 2.24 0.00 55 P 0.00 4.22 0.00 1.97 1.90 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 56 Y 7.95 4.65 0.00 3.00 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 57 T 8.59 4.17 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 1.25 0.00 0.00 58 V 7.55 4.27 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 0.99 0.00 0.00 0.82 0.00 0.00 59 S 8.84 4.14 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.90 4.41 0.00 3.09 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 61 A 7.43 4.21 1.16 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 0.00 0.00 62 G 8.40 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.63 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 0.00 0.00 0.00 64 H 7.61 4.84 0.00 3.02 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.45 4.47 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 1.10 0.00 0.00 66 C 8.38 4.36 0.00 2.91 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 67 K 8.43 4.46 0.00 1.66 1.75 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.31 7.81 68 Q 7.78 4.60 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 69 V 8.07 4.10 0.94 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 0.76 0.00 0.00 0.15 0.00 0.00 70 I 8.17 4.69 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 1.30 0.65 0.81 0.00 0.00 71 V 8.54 4.49 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 1.23 0.00 0.00 1.13 0.00 0.00 72 W 9.07 5.15 0.00 3.35 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 73 V 8.73 4.81 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 0.88 0.00 0.00 1.01 0.00 0.00 74 S 9.08 4.26 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.78 4.84 0.00 2.77 2.59 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 76 V 8.06 3.86 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 0.99 0.00 0.00 1.16 0.00 0.00 77 D 8.06 4.32 0.00 2.81 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 78 E 8.21 3.96 0.00 2.14 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 0.00 2.35 2.36 0.00 79 H 8.12 3.94 0.00 3.38 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.65 3.55 0.00 2.69 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 81 M 8.47 3.82 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.94 0.00 82 R 7.85 3.75 0.00 1.75 1.86 0.00 3.08 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 83 S 7.66 3.98 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.41 3.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 85 A 7.53 3.88 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 86 A 7.30 4.22 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.01 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 88 A 7.81 4.41 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 89 D 8.61 4.75 0.00 2.86 2.71 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 90 I 8.14 4.32 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 1.24 0.00 0.00 91 V 8.72 4.08 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 0.77 0.00 0.00 1.04 0.00 0.00 92 Q 8.01 4.53 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 93 P 0.00 4.78 0.00 1.99 2.08 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 94 L 7.26 3.97 0.00 0.27 0.47 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.80 4.54 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 96 D 8.67 4.71 0.00 2.48 2.50 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 0.00 0.00 0.00 0.00 97 K 8.95 3.89 0.00 1.54 0.74 0.00 1.42 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.00 7.81 98 P 0.00 4.45 0.00 1.81 1.91 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 99 W 7.83 5.07 0.00 3.29 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 0.00 100 G 8.73 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.60 5.30 0.00 1.62 1.54 1.16 1.17 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 0.00 102 R 8.24 5.16 0.00 1.71 2.15 0.00 2.78 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 103 Q 8.77 5.56 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 104 Y 8.20 5.25 0.00 3.38 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 0.00 105 L 8.55 5.26 0.00 1.71 1.68 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.59 5.14 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 1.11 0.00 0.00 1.48 0.00 0.00 107 R 9.15 5.34 0.00 1.82 1.99 0.00 3.22 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 108 D 9.01 4.35 0.00 2.51 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 0.00 109 L 6.25 3.42 0.00 1.06 0.13 0.44 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.49 4.39 0.00 2.09 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 0.00 2.18 2.22 0.00 111 G 8.37 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.12 4.41 0.00 3.69 3.06 0.00 5.81 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 0.00 113 L 8.55 4.99 0.00 1.79 1.47 1.00 1.00 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 0.00 114 W 9.48 4.93 0.00 3.14 2.36 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 0.00 115 E 8.90 4.76 0.00 1.81 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 1.94 2.10 0.00 116 F 8.25 5.18 0.00 2.64 2.71 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 0.00 117 T 8.57 5.04 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 0.74 0.00 0.00 118 R 8.63 4.48 0.00 2.08 2.08 0.00 2.94 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 *128 W 8.30 4.52 0.00 2.29 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 0.00 0.00 0.00 129 G 8.34 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.25 4.63 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 0.00 131 V 7.99 4.15 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 0.85 0.00 0.00 0.93 0.00 0.00 132 A 8.56 4.07 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 0.00 133 M 8.51 4.15 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.09 0.00 *134 T 8.22 4.22 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 * Residues marked with a * may have inaccurate shift predictions.