NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1586 8.3401 121.7066 55.7774 30.4225 174.7743 3 A 4.2104 7.9211 119.7743 50.4240 20.3995 175.9563 4 I 4.2939 8.9190 125.1582 58.5218 40.3236 171.6403 5 P 4.4682 0.0000 0.0000 63.4973 31.6410 175.7500 6 M 5.0466 8.9055 122.6861 54.7595 36.2668 174.3259 7 T 4.7044 8.7852 115.5719 60.9350 70.5775 175.2739 8 L 3.8913 8.8828 125.0562 58.4454 42.0619 179.1168 9 R 3.9800 8.1755 118.2019 59.7691 29.8942 178.4224 10 G 3.7026 8.3415 106.2106 47.2343 0.0000 175.5307 11 A 4.0946 8.5802 123.5557 54.9301 18.4165 179.6236 12 E 4.0651 8.4629 117.2753 59.2000 29.5026 179.4487 13 K 4.0015 7.9940 120.0699 59.0826 32.1769 178.7799 14 L 3.9515 7.9017 120.7715 58.3338 41.8876 179.2623 15 R 3.9629 8.2553 117.0293 58.9375 30.3106 178.6794 16 E 4.0952 8.2200 118.7812 59.3355 29.4399 178.6471 17 E 3.9979 8.1153 118.9919 59.5309 29.7359 178.4611 18 L 3.9276 8.1374 120.2818 58.4230 41.8451 178.6324 19 D 4.2854 8.0854 117.2826 57.3290 41.1907 177.9741 20 F 4.2169 8.2271 120.6931 61.2614 39.3777 176.9292 21 L 3.7577 8.3315 118.8580 57.6830 41.2405 179.7290 22 K 3.9321 8.2637 117.7279 59.3513 32.1296 179.1255 23 S 4.3622 8.7924 114.0020 60.0198 63.5546 174.8701 24 V 4.0130 7.5592 119.8341 64.4530 32.5930 177.7249 25 R 3.6800 6.6692 116.7413 59.0929 29.9474 178.6189 26 R 3.7866 8.0122 118.6607 59.1312 29.9859 176.3565 27 P 4.1651 0.0000 0.0000 65.8358 31.1869 177.8749 28 E 3.8785 7.5700 116.1771 59.5655 29.6530 178.9087 29 I 3.8546 7.8495 119.8512 64.3664 37.3206 178.5274 30 I 3.7363 7.9977 113.5731 63.5312 37.2601 177.7727 31 A 4.0819 8.2169 122.4494 54.3367 18.3592 179.3920 32 A 3.9397 7.8301 119.8784 55.2628 18.4308 179.9900 33 I 3.5012 7.5838 117.6422 64.2446 37.0946 178.0100 34 A 4.0034 7.7670 120.4392 55.3472 18.4902 178.7756 35 E 3.9870 8.3088 117.2627 59.8041 29.8062 179.1331 36 A 4.2425 8.1768 120.2094 54.9175 18.4334 179.7257 37 R 4.0522 8.3557 116.9106 59.1935 29.8745 178.6757 38 E 4.0967 7.9352 117.3676 58.5247 29.4261 177.7594 39 H 4.7866 7.8200 114.5618 56.1543 29.6956 176.8327 40 G 3.5008 8.6528 109.9957 47.2893 0.0000 172.8636 41 D 4.2464 8.5894 111.5710 54.5580 39.9459 175.7384 42 L 3.5667 7.6211 120.9120 57.8687 42.2738 180.2746 43 K 3.9815 8.0596 118.2044 58.8089 32.1741 176.9668 44 E 4.5214 8.2065 115.7218 55.8062 30.1366 176.1407 45 N 4.5581 7.7550 119.1130 52.3645 38.9270 175.1686 46 A 4.0230 8.3593 130.9221 55.3305 18.7781 178.8136 47 E 3.9750 8.1502 116.4071 59.2162 29.4982 178.8675 48 Y 3.9335 7.9770 119.5839 61.0241 38.9482 177.3749 49 H 4.4152 8.4783 116.8251 58.5796 28.7715 177.6829 50 A 4.2164 8.3515 122.8781 54.8427 18.2223 179.5773 51 A 3.8908 7.8179 118.9896 55.3109 18.3517 179.9175 52 R 3.6513 7.9732 117.3502 59.1742 30.0125 178.4505 53 E 3.4342 7.9734 118.5630 59.4056 29.4648 179.1290 54 Q 4.4090 8.0589 117.7840 59.2859 28.7174 178.9782 55 Q 4.0230 8.0850 120.5855 59.1293 28.9321 178.9174 56 G 3.4025 7.5505 106.6616 47.9217 0.0000 175.1756 57 F 4.4532 7.8799 120.5368 61.3918 39.0738 177.8645 58 C 4.2957 8.9231 116.1520 62.7302 27.9561 176.1920 59 E 4.1308 8.7256 121.0576 59.0685 28.9367 179.3936 60 G 3.6634 8.4646 106.2861 47.9263 0.0000 175.6076 61 R 3.9254 7.8786 121.0957 59.0928 29.9024 178.8220 62 I 3.7328 7.6084 119.4092 64.2252 37.3499 178.2654 63 K 3.8720 8.3895 120.1381 60.1711 32.0111 178.5684 64 D 4.2890 8.4504 119.2451 57.3007 41.2055 178.3307 65 I 3.7298 7.8205 120.3386 64.2037 36.8266 178.1910 66 E 3.9236 8.1948 118.4777 59.4110 29.6774 178.9371 67 A 4.1103 7.8273 119.9667 55.1727 17.9798 179.3889 68 K 3.7822 8.2284 117.0485 60.0219 32.0940 179.1483 69 L 4.2083 8.1210 116.4031 56.5887 41.7644 178.7536 70 S 4.2672 8.3175 113.2212 60.2799 62.6853 174.4933 71 N 4.5743 7.9151 117.8525 53.1812 39.2894 174.1166 72 A 5.0018 6.7525 120.5228 52.3577 19.4455 177.5811 73 Q 4.2473 8.3401 120.2505 53.9716 30.6838 172.9052 74 V 4.4082 8.2112 123.1968 62.4567 31.9962 174.5726 75 I 4.2542 9.4324 131.2820 60.4238 39.2093 174.8464 76 D 4.9682 8.5352 126.0056 52.1511 41.8323 176.3076 77 V 3.7462 8.1857 116.8169 62.6533 31.8915 178.1545 78 T 4.1313 7.7677 114.5146 63.9601 67.3231 174.9845 79 K 4.4580 7.8249 118.4627 56.4490 32.4905 175.9831 80 M 4.8516 7.4189 117.9172 52.2717 34.5213 173.9444 81 P 4.2158 0.0000 0.0000 62.4635 31.8803 175.4732 82 N 3.3366 8.4678 121.6559 53.3545 38.6407 174.0555 83 N 4.3567 8.3358 124.5548 54.5218 39.2606 176.6680 84 G 3.9509 8.5158 105.6424 44.7226 0.0000 172.6193 85 R 5.0807 7.4398 118.1475 54.6260 32.1946 176.1488 86 V 4.1121 9.2490 124.5465 62.6409 32.3718 175.0330 87 I 4.8973 8.1714 120.2474 58.3794 41.6528 174.2168 88 F 4.2588 8.6364 124.7107 59.2299 39.3707 174.7165 89 G 3.6071 7.6676 115.8203 45.1157 0.0000 173.6328 90 A 4.2362 7.4158 120.9501 52.1564 20.2644 176.3264 91 T 4.9877 8.7606 116.0599 61.9081 70.9532 174.1053 92 V 4.8638 9.1279 126.6968 61.3720 34.8188 174.1853 93 T 4.8415 8.6228 125.0796 62.5730 70.0172 174.0145 94 V 4.9999 9.1712 126.6343 60.8773 35.3303 173.8094 95 L 5.0609 9.1479 128.4685 53.2015 44.8240 174.9907 96 N 4.2760 9.2704 126.3732 52.8824 38.2539 174.8042 97 L 3.6131 8.0425 127.3789 58.5449 41.9295 178.0417 98 D 4.3460 8.5023 118.7856 55.7953 40.8286 177.2715 99 S 4.0849 8.1719 122.1405 59.8977 63.6601 174.4659 100 D 4.3248 8.2130 119.7205 55.1659 39.6351 173.1571 101 E 4.3009 8.0924 119.5151 55.1100 30.5260 174.1078 102 E 5.1351 8.7006 128.7780 54.8378 31.1774 174.9545 103 Q 4.5664 8.8309 124.7137 54.3669 33.5553 174.0661 104 T 4.9318 8.0936 117.4438 62.0643 71.2973 172.9956 105 Y 5.2255 8.9456 122.5880 56.1877 43.0008 174.2823 106 R 4.9213 8.8284 120.3417 54.6181 33.3741 174.2865 107 I 4.4308 8.4519 128.0908 61.3249 38.2909 175.7240 108 V 4.4241 9.1410 120.1357 59.3402 36.9104 175.1540 109 G 4.3972 8.7350 110.5821 44.8617 0.0000 174.4681 110 D 4.3731 8.7568 119.0796 57.4519 40.8831 178.2243 111 D 4.4549 8.0730 117.1116 56.7125 41.6547 176.5333 112 E 4.1195 8.1623 118.7797 57.4484 30.1845 175.9249 113 A 4.0898 7.7345 122.0811 52.9911 19.0669 177.8503 114 D 4.7658 8.9043 121.9843 52.6366 42.5493 175.5032 115 F 4.6047 8.4241 118.6372 59.0115 38.5338 178.7916 116 K 3.7397 7.2351 120.0440 58.9887 31.8994 177.2472 117 Q 4.4150 8.2266 116.7288 55.5474 28.8243 175.1837 118 N 4.4878 8.1416 113.5007 54.3993 36.8836 173.5966 119 L 5.1907 7.9464 118.7134 53.2556 43.7756 175.1977 120 I 4.6590 8.6277 119.1475 58.6255 39.8378 175.3149 121 S 4.6263 8.6860 121.2590 58.4079 62.3241 174.3551 122 V 3.6856 9.4582 121.5528 64.0391 31.9202 177.0310 123 N 4.7431 7.9368 119.6042 50.9563 37.0759 174.5813 124 S 4.5994 7.3412 114.7837 55.1975 67.4040 173.6762 125 P 4.1551 0.0000 0.0000 66.0459 31.0431 178.7089 126 I 3.4521 7.4810 117.6582 63.5813 38.0155 177.4593 127 A 3.8864 7.4787 121.6703 55.2032 18.0152 179.6123 128 R 3.9202 7.8636 115.2858 59.6302 30.3187 179.4080 129 G 3.7376 8.1272 103.8259 47.3038 0.0000 174.9203 130 L 4.3513 7.6077 120.1720 55.5467 42.2827 177.3183 131 I 3.9418 7.5000 119.2167 63.3572 37.4336 176.2422 132 G 3.9719 9.3869 114.1832 45.2675 0.0000 173.6506 133 K 4.5441 8.1860 119.9695 55.5791 33.8338 175.0358 134 E 5.6167 8.5489 115.1584 54.4129 32.5915 174.3120 135 E 4.3155 8.5901 118.1468 58.8675 29.8757 175.5057 136 D 5.0669 9.3671 122.5102 54.3590 40.2064 175.8051 137 D 4.4315 7.9426 118.3347 55.2602 41.7692 176.3439 138 V 4.6672 8.4114 123.0398 61.7119 33.4264 175.3379 139 V 4.5593 8.8429 120.5196 58.7164 35.1022 177.1569 140 V 4.8642 8.4694 128.1745 61.0958 30.7135 176.2713 141 I 4.0631 7.6461 109.5274 62.3105 38.1052 175.6467 *148 V 3.9942 7.3704 121.0766 62.1513 33.2390 173.3342 149 E 5.8897 8.1604 117.6222 53.8024 33.1234 175.3630 150 F 5.1112 8.9358 120.7848 55.7635 43.9109 173.1310 151 E 4.9922 9.3966 121.8185 54.7031 32.4089 175.6858 152 V 4.4938 8.4919 120.6009 60.4065 31.1108 176.6797 153 I 3.8118 8.5739 127.7759 64.0882 37.8624 176.7411 154 K 4.3320 7.5470 118.9714 55.4486 35.4442 174.0212 155 V 4.7915 9.0692 126.9792 61.1171 33.6592 174.2094 156 E 4.6445 9.2029 128.6130 54.7141 32.9432 174.3377 157 Y 5.1059 8.7191 124.4764 56.5690 38.2300 175.7682 158 L 4.3844 8.1852 123.0346 54.7238 42.6717 176.9024 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 Q 8.34 4.16 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 3 A 7.92 4.21 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 4 I 8.92 4.29 1.90 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 1.17 0.86 0.85 0.00 0.00 5 P 0.00 4.47 0.00 0.92 1.08 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 6 M 8.91 5.05 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 7 T 8.79 4.70 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 1.03 0.00 0.00 8 L 8.88 3.89 0.00 1.78 1.72 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.18 3.98 0.00 1.95 1.92 0.00 3.28 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 10 G 8.34 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 0.00 0.00 0.00 11 A 8.58 4.09 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 12 E 8.46 4.07 0.00 2.19 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 0.00 2.34 2.49 0.00 13 K 7.99 4.00 0.00 2.08 1.91 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 14 L 7.90 3.95 0.00 2.06 1.66 0.97 0.98 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 15 R 8.26 3.96 0.00 1.80 1.99 0.00 3.33 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 16 E 8.22 4.10 0.00 2.25 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 2.33 2.43 0.00 17 E 8.12 4.00 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 18 L 8.14 3.93 0.00 1.93 1.70 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.09 4.29 0.00 2.90 2.95 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 0.00 0.00 0.00 20 F 8.23 4.22 0.00 3.14 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 21 L 8.33 3.76 0.00 1.73 1.68 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.26 3.93 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 23 S 8.79 4.36 0.00 3.89 4.17 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 24 V 7.56 4.01 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 1.01 0.00 0.00 1.02 0.00 0.00 25 R 6.67 3.68 0.00 1.46 1.80 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.00 26 R 8.01 3.79 0.00 1.88 2.04 0.00 3.08 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 27 P 0.00 4.17 0.00 2.26 2.06 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 28 E 7.57 3.88 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 29 I 7.85 3.85 1.96 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 1.56 0.43 0.89 0.00 0.00 30 I 8.00 3.74 1.83 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 1.43 1.06 0.92 0.00 0.00 31 A 8.22 4.08 1.36 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 32 A 7.83 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 33 I 7.58 3.50 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.54 0.00 0.00 34 A 7.77 4.00 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 35 E 8.31 3.99 0.00 2.30 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 2.33 2.51 0.00 36 A 8.18 4.24 1.51 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 0.00 0.00 37 R 8.36 4.05 0.00 2.31 2.05 0.00 3.22 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 38 E 7.94 4.10 0.00 1.99 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 2.49 2.46 0.00 39 H 7.82 4.79 0.00 3.29 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.65 3.50 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 0.00 0.00 0.00 41 D 8.59 4.25 0.00 2.73 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 L 7.62 3.57 0.00 1.48 1.09 0.49 0.13 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 43 K 8.06 3.98 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 44 E 8.21 4.52 0.00 2.09 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 2.22 2.33 0.00 45 N 7.76 4.56 0.00 2.84 2.71 0.00 0.00 7.31 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 46 A 8.36 4.02 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 47 E 8.15 3.98 0.00 2.24 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 2.41 2.44 0.00 48 Y 7.98 3.93 0.00 3.14 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 49 H 8.48 4.42 0.00 3.26 3.37 0.00 5.67 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 50 A 8.35 4.22 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 51 A 7.82 3.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.97 3.65 0.00 1.87 1.80 0.00 2.63 0.00 0.00 2.80 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 53 E 7.97 3.43 0.00 2.18 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 2.13 2.19 0.00 54 Q 8.06 4.41 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.27 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 55 Q 8.09 4.02 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 56 G 7.55 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.88 4.45 0.00 3.25 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 58 C 8.92 4.30 0.00 3.06 2.99 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 59 E 8.73 4.13 0.00 2.02 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 2.41 2.44 0.00 60 G 8.46 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.88 3.93 0.00 1.93 2.13 0.00 3.17 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 62 I 7.61 3.73 2.04 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 1.59 0.64 1.01 0.00 0.00 63 K 8.39 3.87 0.00 1.95 2.09 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.43 7.81 64 D 8.45 4.29 0.00 2.75 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 65 I 7.82 3.73 1.89 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 1.54 0.71 0.93 0.00 0.00 66 E 8.19 3.92 0.00 2.18 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 0.00 2.35 2.38 0.00 67 A 7.83 4.11 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 68 K 8.23 3.78 0.00 2.15 1.92 0.00 1.56 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.58 7.81 69 L 8.12 4.21 0.00 1.67 1.72 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.32 4.27 0.00 3.78 4.11 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 71 N 7.92 4.57 0.00 2.89 2.76 0.00 0.00 7.07 8.16 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 72 A 6.75 5.00 1.25 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 0.00 0.00 0.00 73 Q 8.34 4.25 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 74 V 8.21 4.41 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 0.90 0.00 0.00 0.94 0.00 0.00 75 I 9.43 4.25 2.15 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 1.06 0.00 0.00 76 D 8.54 4.97 0.00 2.69 2.52 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 77 V 8.19 3.75 1.55 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 0.54 0.00 0.00 0.89 0.00 0.00 78 T 7.77 4.13 4.45 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 0.00 0.00 0.00 1.35 0.00 0.00 79 K 7.82 4.46 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.54 7.81 80 M 7.42 4.85 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 81 P 0.00 4.22 0.00 2.17 2.08 0.00 3.85 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 2.03 1.98 0.00 82 N 8.47 3.34 0.00 2.26 2.53 0.00 0.00 7.24 7.55 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 83 N 8.34 4.36 0.00 2.81 2.88 0.00 0.00 7.49 7.64 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 84 G 8.52 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.44 5.08 0.00 1.80 1.92 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 86 V 9.25 4.11 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 0.85 0.00 0.00 1.08 0.00 0.00 87 I 8.17 4.90 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.51 0.96 0.00 0.00 88 F 8.64 4.26 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 89 G 7.67 3.61 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 0.00 0.00 0.00 90 A 7.42 4.24 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 91 T 8.76 4.99 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 1.27 0.00 0.00 92 V 9.13 4.86 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 1.14 0.00 0.00 0.97 0.00 0.00 93 T 8.62 4.84 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 1.26 0.00 0.00 94 V 9.17 5.00 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 1.07 0.00 0.00 1.04 0.00 0.00 95 L 9.15 5.06 0.00 1.76 1.53 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.27 4.28 0.00 2.76 2.84 0.00 0.00 6.57 6.71 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 97 L 8.04 3.61 0.00 1.57 1.70 0.92 1.43 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 98 D 8.50 4.35 0.00 2.70 2.46 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 99 S 8.17 4.08 0.00 3.96 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 0.00 100 D 8.21 4.32 0.00 2.76 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 0.00 101 E 8.09 4.30 0.00 2.08 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 2.39 2.31 0.00 102 E 8.70 5.14 0.00 2.02 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 2.19 2.45 0.00 103 Q 8.83 4.57 0.00 1.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 104 T 8.09 4.93 4.13 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 1.17 0.00 0.00 105 Y 8.95 5.23 0.00 2.84 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 0.00 106 R 8.83 4.92 0.00 1.85 1.72 0.00 3.05 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 107 I 8.45 4.43 1.68 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 1.16 0.71 0.84 0.00 0.00 108 V 9.14 4.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 109 G 8.73 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 0.00 110 D 8.76 4.37 0.00 2.70 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 0.00 111 D 8.07 4.45 0.00 2.66 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 0.00 112 E 8.16 4.12 0.00 2.07 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 2.36 2.31 0.00 113 A 7.73 4.09 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 0.00 114 D 8.90 4.77 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 4.60 0.00 3.23 3.27 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 0.00 116 K 7.24 3.74 0.00 1.50 1.72 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.91 0.72 7.81 117 Q 8.23 4.41 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 118 N 8.14 4.49 0.00 3.03 3.07 0.00 0.00 6.77 6.84 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 0.00 119 L 7.95 5.19 0.00 1.82 1.61 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.63 4.66 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.53 0.00 0.00 121 S 8.69 4.63 0.00 3.94 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 0.00 122 V 9.46 3.69 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 1.13 0.00 0.00 1.15 0.00 0.00 123 N 7.94 4.74 0.00 2.72 2.76 0.00 0.00 6.81 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.34 4.60 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.16 0.00 2.21 2.29 0.00 3.56 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 1.94 1.93 0.00 126 I 7.48 3.45 1.56 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.56 0.00 0.00 127 A 7.48 3.89 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 0.00 128 R 7.86 3.92 0.00 1.87 2.00 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 129 G 8.13 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 0.00 130 L 7.61 4.35 0.00 1.70 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.50 3.94 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.94 0.00 0.00 132 G 9.39 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 0.00 133 K 8.19 4.54 0.00 2.04 1.80 0.00 1.55 0.00 0.00 1.99 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.58 7.81 134 E 8.55 5.62 0.00 2.24 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 0.00 2.42 2.25 0.00 135 E 8.59 4.32 0.00 1.98 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 2.42 2.38 0.00 136 D 9.37 5.07 0.00 2.69 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 0.00 137 D 7.94 4.43 0.00 2.79 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 0.00 138 V 8.41 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 139 V 8.84 4.56 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.08 0.00 0.00 140 V 8.47 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 141 I 7.65 4.06 1.89 0.00 0.00 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 1.82 0.79 0.93 0.00 0.00 *148 V 7.37 3.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.80 0.00 0.00 149 E 8.16 5.89 0.00 1.83 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 2.29 2.13 0.00 150 F 8.94 5.11 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.40 4.99 0.00 2.00 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 2.23 2.28 0.00 152 V 8.49 4.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 153 I 8.57 3.81 2.00 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 1.33 0.76 0.92 0.00 0.00 154 K 7.55 4.33 0.00 1.82 1.58 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.41 7.81 155 V 9.07 4.79 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 1.02 0.00 0.00 1.05 0.00 0.00 156 E 9.20 4.64 0.00 2.06 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 2.22 2.27 0.00 157 Y 8.72 5.11 0.00 2.74 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 0.00 158 L 8.19 4.38 0.00 1.60 1.52 0.99 0.94 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 * Residues marked with a * may have inaccurate shift predictions.