NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2740 8.3144 121.8024 55.4118 34.6188 174.9530 6 L 3.6906 7.9179 121.4553 55.1741 43.0357 174.7722 7 R 4.4443 10.0163 128.7678 55.1936 31.6593 174.1516 8 I 4.9566 8.2511 127.7909 59.7450 39.0465 175.0977 9 E 4.6629 9.0032 123.6532 54.2161 33.2695 174.4045 10 L 3.5645 8.3544 122.7072 55.5477 42.7542 176.2869 11 G 4.3391 8.0548 109.3959 44.6662 0.0000 172.3966 12 E 4.6686 8.8305 116.2808 55.0479 31.9692 174.9008 13 E 4.5618 8.2109 119.3575 54.6056 31.0333 175.0273 14 T 4.4295 8.4371 114.9158 60.0753 70.4358 173.7142 15 N 5.2440 8.2972 121.3820 49.9553 41.1849 174.5759 16 D 4.4775 8.9849 118.4838 58.0557 40.5203 179.1273 17 E 3.9666 8.1065 118.2905 59.0524 29.9446 178.3664 18 L 4.1541 8.3544 120.5826 58.2634 42.2170 178.3733 19 Y 4.0176 8.1068 116.0893 61.0595 37.5058 178.1961 20 D 4.4438 7.9531 119.1435 57.3227 41.1251 178.6825 21 L 4.1931 7.9356 119.0658 57.9795 41.8405 179.4240 22 L 4.0938 8.0089 118.2908 57.7896 41.3309 178.9983 23 L 5.0247 8.0227 118.4441 55.8370 41.8058 178.7749 24 L 4.1887 8.1102 119.4136 57.3845 41.5913 178.6990 25 A 4.5126 7.9700 119.3932 53.1541 19.5511 176.9258 26 D 4.8679 7.9373 122.4354 51.8628 41.8010 175.1401 27 P 4.1928 0.0000 0.0000 65.6541 31.7994 177.3610 28 S 4.1524 8.2570 115.3855 58.4903 62.6229 174.1574 29 K 4.0772 8.6333 131.3137 59.5401 32.0014 177.6967 30 D 4.3341 8.1193 118.9582 57.5321 40.6865 178.3719 31 I 3.7380 7.7214 120.0037 64.5091 37.0999 178.6606 32 V 2.5360 7.6202 118.4827 65.9605 31.4220 177.7578 33 D 4.2364 7.9887 118.4097 57.4722 40.6162 178.0888 34 E 3.8935 7.8949 119.5236 59.7353 29.6902 178.3633 35 Y 4.3829 7.8073 117.2481 59.1215 38.1477 177.4137 36 L 3.9769 7.4378 122.5030 57.7956 42.1431 177.8755 37 E 4.1490 7.7447 118.2067 58.6856 29.9889 177.6243 38 R 3.9669 8.0804 118.4274 58.0782 30.3733 175.9146 39 G 4.2963 7.9125 103.7071 44.5747 0.0000 172.0262 40 E 4.6328 9.0648 121.1734 54.8285 31.4866 174.0258 41 C 5.0354 8.5976 127.4907 58.1000 33.7254 171.6642 42 Y 4.7779 8.7098 124.4416 56.2333 40.6328 174.8318 43 T 4.9502 8.8083 112.5264 59.7936 72.4177 172.4330 44 A 5.1537 9.0338 126.1412 50.0958 21.5617 175.2932 45 W 5.2314 9.4751 122.7481 54.8582 32.4475 175.1321 46 A 4.2060 8.8308 125.1228 49.9732 17.4356 175.8926 47 G 4.0202 9.3613 113.8552 43.8911 0.0000 171.7002 48 D 4.7504 9.0230 121.2635 53.3676 43.8784 175.2626 49 E 4.1235 7.7466 120.8672 54.4753 30.6834 175.0208 50 L 4.1583 8.0533 127.2203 54.4508 40.8119 176.2934 51 A 4.0007 8.2265 128.2787 54.0035 18.7962 178.2800 52 G 4.3189 8.4536 99.9233 46.1514 0.0000 170.7556 53 V 5.1622 8.6930 117.3285 61.4314 35.1947 172.2505 54 Y 5.3458 8.3840 118.2688 56.1595 41.2511 173.3346 55 V 4.7270 9.1589 121.9724 61.2562 34.7788 174.2089 56 L 4.8650 9.4695 128.3364 53.3655 43.3355 175.0179 57 L 4.9366 8.7080 126.7824 53.2146 44.7533 175.1544 58 K 4.7415 8.6183 124.6480 56.2996 33.2556 174.7693 59 T 4.1783 8.6165 115.1214 61.7933 67.6337 178.0976 60 R 4.1708 8.9554 118.9268 54.6939 31.2937 173.8245 61 P 4.4490 0.0000 0.0000 64.4175 31.7341 176.6534 62 Q 3.5232 8.9167 118.4967 56.7316 27.0084 172.5760 63 T 5.2399 7.9807 115.4751 61.5968 71.5450 173.4984 64 V 4.8854 8.7180 125.1989 59.8304 34.9334 174.1780 65 E 5.0422 9.2657 123.1875 54.6985 33.5984 174.9923 66 I 4.8649 8.2572 126.8027 59.3747 35.8129 176.7554 67 V 3.6538 8.0065 118.5356 63.1430 32.2325 175.4822 68 N 4.5915 7.7848 115.3295 52.7849 42.9254 173.0750 69 I 5.2532 8.4732 124.8087 60.0674 41.3602 173.2476 70 A 4.8247 9.1588 129.1678 51.1605 23.1649 175.0923 71 V 4.7533 8.1652 118.1739 60.5891 35.1266 174.9267 72 K 3.7858 9.0705 128.7162 57.3595 32.4970 176.7942 73 E 4.1390 9.4182 127.2940 59.9418 29.5005 179.0754 74 S 4.5742 8.0577 108.3765 59.2490 62.9044 174.1650 75 L 4.8858 8.4215 119.0171 54.2099 43.7350 176.5983 76 Q 4.3312 7.6712 117.0512 56.6911 29.4064 176.2501 77 K 3.9889 8.7322 115.2467 56.8548 29.0796 177.1559 78 K 4.1276 7.7885 116.1869 55.9007 32.7293 176.9447 79 G 3.9502 7.8891 107.7300 45.1952 0.0000 175.6499 80 F 4.6345 7.6701 119.1106 60.0854 38.8916 177.3893 81 G 3.7287 8.2182 105.3409 47.8430 0.0000 175.1421 82 K 3.8892 8.1157 122.2463 59.1866 32.1437 178.4635 83 Q 4.0381 7.9203 118.1528 59.0536 28.5870 179.0833 84 L 3.9677 8.0846 119.7715 57.6997 41.7001 179.5836 85 V 3.4591 7.6523 118.0355 66.2107 31.5736 178.1635 86 L 4.0253 8.2007 118.6176 57.4676 41.3025 179.1339 87 D 4.2763 7.9409 118.1336 57.1031 41.2989 178.0859 88 A 3.7474 8.0790 122.9746 54.4732 18.2962 179.6947 89 I 3.6671 7.6795 118.4243 64.3172 37.1682 178.4415 90 E 4.0075 7.6125 119.0100 59.1129 29.1476 179.2973 91 K 3.9697 7.9830 117.6045 59.3596 32.1766 178.9719 92 A 4.1359 8.0873 121.1037 54.7547 18.2107 179.9151 93 K 3.9459 7.8083 116.8414 59.7070 32.0734 179.7292 94 K 4.2346 7.7250 116.4494 58.4517 31.9770 178.0884 95 L 4.3464 7.6292 120.0552 54.6198 41.8986 177.5677 96 G 3.9180 8.4577 105.4635 46.4683 0.0000 174.0729 97 A 4.2696 7.2584 122.0938 52.2899 19.2082 177.7048 98 D 4.7293 9.3915 120.6183 56.1673 42.8614 177.1204 99 T 5.1065 7.7309 113.3235 61.6544 73.3305 172.8600 100 I 5.1284 8.6901 125.2495 59.3812 41.1031 174.1325 101 E 5.5304 8.9537 127.6037 54.3831 33.9748 174.4466 102 I 4.0654 7.6758 118.3797 60.8363 41.8949 172.8354 103 G 4.8378 8.4618 114.8720 44.9952 0.0000 171.2662 104 T 4.8899 8.2537 111.3135 59.4044 72.8329 173.3039 105 G 3.5340 8.5382 108.4009 45.7402 0.0000 174.7160 106 N 4.6055 8.7384 121.6902 55.4173 37.2431 176.5611 107 S 4.1808 7.6639 112.3399 60.7938 64.2299 175.9432 108 S 4.4589 8.1029 119.5551 57.7665 58.0649 174.4564 109 I 3.6381 7.4948 126.7386 64.5922 37.5028 177.2823 110 H 4.1259 8.1551 118.3114 59.5690 29.6832 177.0953 111 Q 3.2731 7.7814 119.0396 58.7025 28.1886 178.3599 112 L 3.9120 7.7794 119.9285 57.8348 41.4641 179.7567 113 S 3.9046 7.4778 112.5972 61.2315 62.2821 175.2890 114 L 3.7648 7.2402 121.3264 58.8186 41.8589 178.0737 115 Y 4.6113 7.4983 115.9154 61.5934 37.8307 179.1122 116 Q 4.8699 7.6615 119.7691 58.5471 28.6122 178.9634 117 K 4.0473 8.2308 118.5445 58.6721 32.0199 178.0157 118 C 4.6292 7.9117 115.8942 59.5180 28.4313 174.2454 119 G 3.9420 8.2656 111.0275 45.4097 0.0000 175.0323 120 F 4.2860 8.1666 118.4663 57.6424 39.7610 174.0455 121 R 4.9854 8.4675 122.4309 54.1608 33.7766 175.0605 122 I 4.0107 8.4848 123.5967 61.9505 37.2749 174.9266 123 Q 4.4012 9.8901 130.3518 57.2033 29.0910 175.9345 124 A 4.7501 7.4880 117.3297 50.9925 23.6446 173.4651 125 I 4.5248 8.1901 118.3956 59.8875 40.4347 176.4588 126 D 4.7469 8.5249 126.6657 52.5171 40.5062 174.8133 127 H 4.5825 8.5498 119.9685 56.9686 29.6560 174.9971 128 D 4.4467 9.3019 120.0130 54.9318 39.1662 175.3184 129 F 3.6876 7.6959 119.7710 62.5133 39.2837 177.0868 130 F 4.3875 9.0701 116.9314 59.8585 38.6515 177.7550 131 L 4.1938 8.0323 119.1071 57.1616 41.6311 178.5909 132 R 4.3180 7.8490 113.5654 57.2151 30.2042 176.5675 133 H 4.7340 7.7754 114.8859 55.6153 29.2255 173.9583 134 Y 4.6442 7.4237 115.6626 56.3246 41.9944 174.9230 135 D 4.4434 8.9532 122.0120 56.9433 41.6757 176.7092 136 E 4.4817 7.9941 116.3059 55.2894 31.0488 174.8352 137 D 4.7886 8.4694 119.8876 53.5270 41.6381 176.8203 138 I 4.2578 8.1660 124.9607 60.9106 38.6699 175.1068 139 F 4.9911 8.3760 123.3431 56.0565 43.3460 173.9853 140 E 4.5391 9.4122 118.5042 56.7934 33.0509 175.4972 141 N 4.0497 9.7244 123.5623 54.5693 36.0358 174.5109 142 G 4.0377 8.5462 101.8430 46.4294 0.0000 174.0822 143 I 4.5090 7.5879 119.2164 58.9858 40.3253 175.2000 144 Q 3.5612 8.3889 125.3093 54.5169 27.7659 174.7251 145 C 4.1301 7.7102 126.5036 59.3579 30.6652 173.6083 146 R 4.7956 8.3288 120.5160 56.0995 32.0376 173.5216 147 D 5.0950 8.1798 120.8031 53.9157 45.3930 175.6438 *149 V 3.9690 8.3188 123.5952 63.8611 33.1557 174.8060 150 R 4.7000 8.7867 129.3088 55.2010 31.3908 175.1396 151 L 5.5504 8.6925 125.7139 53.4352 46.0880 174.6593 152 Y 5.4432 8.8688 117.9536 56.5331 42.5142 173.5214 153 L 3.8301 8.2450 116.2748 54.2310 45.3832 173.4995 154 D 4.8387 8.6617 127.0888 54.3398 41.7184 177.0665 155 L 4.5539 8.3801 123.1620 51.4455 40.8046 176.5594 156 L 4.0031 7.6100 123.3011 55.5572 41.9745 173.9876 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 5 K 8.31 4.27 0.00 1.84 1.97 0.00 2.08 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 L 7.92 3.69 0.00 1.86 1.64 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 R 10.02 4.44 0.00 1.91 1.91 0.00 3.10 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 8 I 8.25 4.96 1.94 0.00 0.00 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 1.48 0.78 1.14 0.00 0.00 9 E 9.00 4.66 0.00 1.68 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 1.47 1.61 0.00 10 L 8.35 3.56 0.00 1.27 1.36 0.35 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.05 4.34 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 0.00 12 E 8.83 4.67 0.00 1.96 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 2.11 2.29 0.00 13 E 8.21 4.56 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 2.22 2.22 0.00 14 T 8.44 4.43 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 1.09 0.00 0.00 15 N 8.30 5.24 0.00 2.94 2.95 0.00 0.00 6.24 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.98 4.48 0.00 2.73 2.82 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 17 E 8.11 3.97 0.00 1.97 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 0.00 2.29 2.29 0.00 18 L 8.35 4.15 0.00 1.80 1.59 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.11 4.02 0.00 3.13 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 20 D 7.95 4.44 0.00 2.95 2.79 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 0.00 0.00 0.00 21 L 7.94 4.19 0.00 2.00 1.77 0.99 0.59 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 22 L 8.01 4.09 0.00 1.69 1.77 0.64 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.02 5.02 0.00 1.88 1.81 1.20 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.11 4.19 0.00 1.83 1.79 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.51 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 26 D 7.94 4.87 0.00 2.91 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 27 P 0.00 4.19 0.00 2.25 2.22 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 28 S 8.26 4.15 0.00 3.91 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 29 K 8.63 4.08 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.71 1.65 7.81 30 D 8.12 4.33 0.00 2.72 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 31 I 7.72 3.74 1.98 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 1.44 0.77 1.14 0.00 0.00 32 V 7.62 2.54 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 0.90 0.00 0.00 1.10 0.00 0.00 33 D 7.99 4.24 0.00 2.88 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 34 E 7.89 3.89 0.00 2.02 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 2.32 2.50 0.00 35 Y 7.81 4.38 0.00 3.19 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 36 L 7.44 3.98 0.00 1.55 1.74 0.83 1.10 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 37 E 7.74 4.15 0.00 2.00 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 0.00 2.29 2.45 0.00 38 R 8.08 3.97 0.00 1.88 2.02 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 39 G 7.91 4.30 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 0.00 40 E 9.06 4.63 0.00 2.24 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 0.00 2.39 2.22 0.00 41 C 8.60 5.04 0.00 3.03 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 42 Y 8.71 4.78 0.00 1.63 2.45 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 0.00 43 T 8.81 4.95 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 A 9.03 5.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 W 9.48 5.23 0.00 3.14 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 46 A 8.83 4.21 1.06 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 0.00 0.00 47 G 9.36 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 48 D 9.02 4.75 0.00 2.57 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 49 E 7.75 4.12 0.00 1.94 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 2.27 2.22 0.00 50 L 8.05 4.16 0.00 1.38 1.61 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.23 4.00 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 52 G 8.45 4.32 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 0.00 53 V 8.69 5.16 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 0.67 0.00 0.00 1.06 0.00 0.00 54 Y 8.38 5.35 0.00 3.19 3.10 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 0.00 0.00 0.00 55 V 9.16 4.73 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 1.24 0.00 0.00 1.14 0.00 0.00 56 L 9.47 4.87 0.00 1.74 1.68 0.92 0.57 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 57 L 8.71 4.94 0.00 1.77 1.47 1.01 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.62 4.74 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 T 8.62 4.18 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 1.24 0.00 0.00 60 R 8.96 4.17 0.00 1.90 1.91 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 61 P 0.00 4.45 0.00 2.04 2.00 0.00 3.83 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 2.12 0.00 62 Q 8.92 3.52 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 63 T 7.98 5.24 4.30 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 1.23 0.00 0.00 64 V 8.72 4.89 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 0.91 0.00 0.00 1.02 0.00 0.00 65 E 9.27 5.04 0.00 1.96 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 2.17 2.33 0.00 66 I 8.26 4.86 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.37 0.86 0.00 0.00 67 V 8.01 3.65 1.15 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 0.42 0.00 0.00 0.63 0.00 0.00 68 N 7.78 4.59 0.00 2.90 2.74 0.00 0.00 6.43 7.61 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 69 I 8.47 5.25 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 1.38 0.96 0.96 0.00 0.00 70 A 9.16 4.82 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 71 V 8.17 4.75 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 1.07 0.00 0.00 1.08 0.00 0.00 72 K 9.07 3.79 0.00 2.08 1.76 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 73 E 9.42 4.14 0.00 2.10 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 2.45 2.37 0.00 74 S 8.06 4.57 0.00 4.01 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 75 L 8.42 4.89 0.00 1.82 1.99 0.95 1.02 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 76 Q 7.67 4.33 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 77 K 8.73 3.99 0.00 1.94 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 78 K 7.79 4.13 0.00 1.26 1.13 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.33 7.81 79 G 7.89 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 80 F 7.67 4.63 0.00 3.15 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 81 G 8.22 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 82 K 8.12 3.89 0.00 1.84 1.99 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.57 7.81 83 Q 7.92 4.04 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 84 L 8.08 3.97 0.00 1.89 1.73 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.65 3.46 2.28 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 1.22 0.00 0.00 1.08 0.00 0.00 86 L 8.20 4.03 0.00 1.71 1.69 0.93 1.19 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 87 D 7.94 4.28 0.00 2.96 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 88 A 8.08 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.68 3.67 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.78 0.00 0.00 90 E 7.61 4.01 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 91 K 7.98 3.97 0.00 1.57 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.02 7.81 92 A 8.09 4.14 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 93 K 7.81 3.95 0.00 2.00 1.84 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.69 7.81 94 K 7.73 4.23 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 95 L 7.63 4.35 0.00 2.00 1.72 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.46 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.26 4.27 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 98 D 9.39 4.73 0.00 2.70 2.72 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 99 T 7.73 5.11 4.30 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 1.47 0.00 0.00 100 I 8.69 5.13 1.85 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 1.40 1.72 0.79 0.00 0.00 101 E 8.95 5.53 0.00 1.92 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 2.34 2.30 0.00 102 I 7.68 4.07 1.33 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.68 -0.47 0.00 0.00 103 G 8.46 4.84 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 0.00 0.00 0.00 104 T 8.25 4.89 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 1.50 0.00 0.00 105 G 8.54 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 4.61 0.00 2.76 2.92 0.00 0.00 6.99 8.45 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 0.00 107 S 7.66 4.18 0.00 4.08 3.85 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 0.00 108 S 8.10 4.46 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.49 3.64 1.84 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 1.49 0.96 0.88 0.00 0.00 110 H 8.16 4.13 0.00 3.12 3.23 0.00 5.69 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 0.00 111 Q 7.78 3.27 0.00 1.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 112 L 7.78 3.91 0.00 1.87 1.70 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.48 3.90 0.00 3.82 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 0.00 114 L 7.24 3.76 0.00 1.30 1.25 0.90 0.62 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 0.00 115 Y 7.50 4.61 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.66 4.87 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 117 K 8.23 4.05 0.00 1.95 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 118 C 7.91 4.63 0.00 3.33 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 0.00 119 G 8.27 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 0.00 120 F 8.17 4.29 0.00 3.27 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 0.00 121 R 8.47 4.99 0.00 1.50 1.79 0.00 2.97 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 122 I 8.48 4.01 1.93 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 1.28 0.53 1.00 0.00 0.00 123 Q 9.89 4.40 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 124 A 7.49 4.75 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 0.00 125 I 8.19 4.52 1.68 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 1.22 0.98 0.76 0.00 0.00 126 D 8.52 4.75 0.00 2.76 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 0.00 127 H 8.55 4.58 0.00 3.20 3.30 0.00 6.10 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.30 4.45 0.00 2.94 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 0.00 129 F 7.70 3.69 0.00 3.36 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 0.00 130 F 9.07 4.39 0.00 3.03 3.12 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 0.00 131 L 8.03 4.19 0.00 1.90 1.76 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.85 4.32 0.00 1.89 1.99 0.00 2.81 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.00 133 H 7.78 4.73 0.00 2.73 3.07 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.42 4.64 0.00 3.32 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 0.00 135 D 8.95 4.44 0.00 2.64 2.74 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 0.00 136 E 7.99 4.48 0.00 2.12 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 0.00 2.35 2.34 0.00 137 D 8.47 4.79 0.00 2.78 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.17 4.26 1.81 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 1.21 1.02 0.78 0.00 0.00 139 F 8.38 4.99 0.00 2.86 2.88 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 0.00 140 E 9.41 4.54 0.00 1.94 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 2.12 2.20 0.00 141 N 9.72 4.05 0.00 2.90 2.87 0.00 0.00 7.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.55 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 0.00 143 I 7.59 4.51 1.96 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 1.18 1.06 0.85 0.00 0.00 144 Q 8.39 3.56 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 1.17 2.23 0.00 145 C 7.71 4.13 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.33 4.80 0.00 2.00 1.98 0.00 2.94 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 147 D 8.18 5.09 0.00 2.72 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 0.00 0.00 0.00 0.00 *149 V 8.32 3.97 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 0.95 0.00 0.00 0.90 0.00 0.00 150 R 8.79 4.70 0.00 2.11 1.78 0.00 3.05 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 151 L 8.69 5.55 0.00 1.74 1.76 1.06 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.87 5.44 0.00 3.09 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 0.00 153 L 8.25 3.83 0.00 0.87 0.74 0.63 0.50 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 0.00 154 D 8.66 4.84 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.38 4.55 0.00 1.41 1.54 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.61 4.00 0.00 1.50 1.44 0.91 0.93 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 * Residues marked with a * may have inaccurate shift predictions.