NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.2325 8.1849 122.4459 55.0907 42.5900 175.6357 -3 Y 4.7031 8.4146 124.1132 54.5140 39.9807 174.5741 -2 F 5.2046 8.9986 117.9600 56.0975 41.4998 174.0853 -1 Q 4.2052 8.8184 120.9611 56.7495 29.1061 177.5050 0 G 3.7646 8.6365 105.5913 46.0739 0.0000 171.1060 -2 P 5.0046 0.0000 0.0000 61.6975 33.9998 175.5853 -1 H 4.5952 8.9184 119.3611 56.0495 28.7061 175.6050 0 L 4.1446 8.4665 118.5913 56.0739 39.3843 173.8060 5 V 4.6822 8.7650 126.5903 61.3092 34.0148 173.9962 6 I 4.8700 8.9370 129.6561 59.6703 39.5066 174.5052 7 E 4.9491 9.6818 126.8060 54.3386 32.6136 174.8900 8 A 4.9579 8.2553 125.5349 49.7597 22.4361 175.6333 9 T 3.4325 7.8639 112.6507 61.1428 69.2969 175.7321 10 A 3.9599 7.9179 126.6483 54.8243 18.5465 178.4095 11 N 4.6244 7.2040 111.8068 53.3224 37.9955 175.2020 12 L 4.1206 7.5863 122.7118 55.3215 42.9617 176.0296 13 R 4.6358 9.1394 125.5859 54.7500 31.9728 175.4895 14 L 5.1975 8.3886 123.1132 53.1192 43.9866 176.5635 15 E 4.3367 9.3750 120.8692 58.1479 29.9530 176.9879 16 T 4.7389 7.5755 108.1918 58.6738 72.0219 174.1974 17 S 4.2718 8.6676 117.6219 57.6561 64.9148 173.5860 18 P 3.6707 0.0000 0.0000 65.3377 30.9464 179.0952 19 G 3.6142 7.9215 104.0783 47.9751 0.0000 175.3673 20 E 3.9436 7.9980 121.0104 58.8377 29.3695 179.2315 21 L 3.8809 7.9425 120.4299 58.1014 42.0860 178.9497 22 L 3.9759 8.0461 119.2140 57.8194 41.4944 179.1688 23 E 3.9135 8.2773 119.1372 59.3900 29.5808 178.8429 24 Q 3.9869 8.4066 118.1472 58.8459 28.7289 178.6888 25 A 4.0172 8.3459 122.0707 55.3766 18.3948 179.4840 26 N 4.3079 8.5618 115.1449 56.3504 38.5180 177.5253 27 A 4.1024 8.4916 122.4042 55.0754 18.2490 179.5699 28 A 3.9672 7.9996 118.2155 55.3502 18.7232 179.4385 29 L 4.2819 8.1865 117.6299 58.1772 41.7265 179.6830 30 F 4.4357 8.8608 120.6675 61.1983 39.1317 177.0250 31 A 3.9659 8.2593 119.9916 54.6750 18.1712 179.3682 32 S 4.1438 7.5985 112.0635 59.4965 62.9142 175.6631 33 G 3.6450 7.4072 109.2812 46.0151 0.0000 174.0537 34 Q 4.0637 7.2282 117.4068 55.4802 29.5575 175.7719 35 F 5.4824 7.3856 115.3035 55.1357 42.9917 174.8940 36 G 4.0468 8.9555 111.6145 44.7046 0.0000 174.1747 37 E 3.4649 9.2340 123.7247 59.0220 29.5188 178.5276 38 A 4.0983 7.8722 117.5025 53.1906 18.5811 177.3708 39 D 4.6106 7.9587 115.4966 55.2044 41.5228 176.0781 40 I 4.2487 7.1204 120.4205 60.7030 37.4480 175.9477 41 K 4.6186 8.5873 127.7004 54.6250 33.8190 175.8243 42 S 6.0371 8.6702 119.4792 56.6603 66.1819 173.5961 43 R 4.8056 8.3746 116.2204 54.7739 33.0927 173.2192 44 F 5.2202 8.9118 123.1173 56.5355 41.7489 174.1666 45 V 4.2620 8.4076 126.7588 61.2722 33.6848 174.4263 46 T 4.3947 8.3664 124.9323 62.9376 69.7751 174.2174 47 L 4.4260 8.7712 127.3574 53.7449 42.2303 177.4581 48 E 4.1753 9.0469 123.9444 57.3762 30.0882 176.5016 49 A 4.4864 7.9713 120.2233 50.3573 20.3836 174.3822 50 Y 5.0381 7.4356 118.1705 56.5464 41.1053 174.9754 51 R 4.6732 8.5360 119.1269 54.7515 34.2483 174.3330 52 Q 4.5307 8.7110 122.7797 54.9056 31.6275 176.1364 53 G 3.8338 8.7749 115.5206 46.4716 0.0000 172.8622 54 T 4.4650 8.3906 106.8047 61.2571 70.7580 174.5659 55 A 4.1409 7.9152 124.1942 52.2140 18.9740 176.3503 56 A 4.6406 8.4226 122.5833 51.7164 19.0241 177.7364 57 V 4.5945 7.3208 116.5475 61.0315 34.6064 174.1698 58 E 4.2939 9.1080 123.9531 56.3943 30.5826 175.4970 59 R 5.1293 8.7077 124.1669 54.4852 34.3495 174.1458 60 A 4.9697 8.6448 122.2452 50.5133 22.5018 174.6125 61 Y 5.0885 8.0169 116.5594 55.6694 42.5286 173.6623 62 L 5.2155 9.1106 121.3581 53.8741 45.6777 174.4648 63 H 5.5907 9.6130 125.1701 54.5007 33.8017 171.6869 64 A 5.1726 8.6997 125.3188 50.2036 23.0129 174.6306 65 C 4.9761 9.0462 120.4825 57.5729 34.6602 172.4720 66 L 5.1293 8.9362 130.0305 54.0065 43.3312 175.1542 67 S 5.3132 8.7130 122.7666 56.8697 64.8801 173.4018 68 I 4.5441 8.4533 118.1142 58.4280 41.0040 174.9144 69 L 4.4042 8.2777 122.3585 54.1299 41.9175 177.2809 70 D 4.5907 8.5568 121.4659 54.3351 39.8818 176.6517 71 G 3.9221 7.9597 106.4169 45.8774 0.0000 174.9043 72 R 4.2459 7.7355 118.5674 55.4217 31.3393 176.1667 73 D 4.6948 8.2323 119.9102 52.3172 42.1003 177.2077 74 A 3.9521 8.4729 120.8496 55.4844 18.2643 179.6978 75 A 3.9419 7.9523 118.5796 55.5036 18.4899 179.9214 76 T 3.8050 8.3435 114.2851 66.8757 68.5790 177.2349 77 R 3.9616 7.8965 119.8725 59.2556 30.1008 178.9220 78 Q 3.9492 8.3203 119.2108 59.1499 29.0812 178.2243 79 A 4.0164 8.1761 121.8205 54.9908 18.4168 179.4859 80 L 4.0903 8.1211 117.6861 58.0331 41.7036 180.0359 81 G 3.6399 8.1299 105.4896 47.9307 0.0000 175.5976 82 E 3.9862 8.3070 121.1292 59.0523 29.4498 179.3534 83 S 4.1056 8.2252 113.2176 61.4473 62.3984 176.2916 84 L 4.0361 7.9482 121.6691 57.8593 41.2794 178.9685 85 C 4.0940 8.3426 118.8622 62.3390 31.4605 175.1630 86 E 3.9127 8.3392 120.9348 59.2896 29.0011 179.0352 87 V 3.5618 7.3615 116.2457 66.0069 32.0531 177.6669 88 L 4.1439 8.2799 118.7979 57.8447 41.6375 179.3776 89 A 4.1322 8.4654 121.2275 55.2139 18.1063 179.9581 90 G 3.6131 8.0430 102.8276 47.3161 0.0000 174.9587 91 A 4.3860 7.8159 121.3417 51.7948 18.7987 176.9708 92 V 3.9642 7.2026 117.9667 62.3397 32.1105 175.5871 93 A 4.3845 9.0744 131.3120 52.6358 19.4501 177.1053 94 G 3.9245 7.4999 101.6589 46.4980 0.0000 170.9634 95 G 4.6505 9.1175 115.2637 46.3129 0.0000 174.4862 96 G 3.8647 8.2114 111.8729 45.9173 0.0000 172.8830 97 E 4.5079 8.7455 118.5630 56.4905 30.5295 175.2775 98 E 4.5252 7.6256 115.1358 55.0774 31.9767 174.7696 99 G 3.7615 8.6029 107.2809 46.1483 0.0000 172.6340 100 V 4.5213 8.0007 119.4327 60.9495 33.3055 175.0683 101 Q 4.3063 8.7775 127.5546 55.6783 29.9718 174.9284 102 V 5.1139 8.4835 124.1347 61.1274 33.7810 174.6710 103 S 4.8765 9.1313 121.3434 56.7602 67.0538 173.1510 104 V 4.7420 8.1958 120.0670 61.4930 34.1196 173.8039 105 E 4.5547 9.1010 129.5282 54.9690 31.5507 174.6416 106 V 4.9053 8.3978 126.2434 61.1676 33.4216 174.5901 107 R 4.7696 9.1829 124.1979 54.7245 33.1847 174.6810 108 E 5.8152 8.2285 118.2793 53.6443 32.3203 174.5901 *110 E 4.2935 8.3767 118.8818 56.5493 30.1806 176.8293 111 R 3.8722 9.5399 127.9852 59.4415 30.3335 178.5952 112 A 4.0773 8.0976 119.3307 54.3060 18.4765 177.8454 113 S 4.6331 7.5692 107.4918 58.0139 63.8328 173.6195 114 Y 4.1383 7.9209 123.6294 57.5196 38.8163 174.3334 115 A 4.7094 7.9046 130.2114 50.1710 21.2488 175.6044 116 K 4.6630 8.0590 119.4755 55.7802 35.6334 175.6061 117 R 4.8032 8.3922 117.7780 55.2989 34.0415 174.4618 118 V 4.0206 8.1328 119.9022 60.9711 33.0012 175.2341 119 V 3.9528 8.1839 127.2208 61.0669 31.6237 175.3353 120 A 4.0717 8.3119 130.6515 51.8188 19.0010 176.9247 121 R 4.0362 8.4150 119.7942 56.6743 30.1147 176.4532 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 -4 L 8.18 4.23 0.00 1.53 1.61 0.88 0.35 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 -3 Y 8.41 4.70 0.00 3.19 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 -2 F 9.00 5.20 0.00 3.36 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 -1 Q 8.82 4.21 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.27 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 0 G 8.64 3.76 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 0.00 -2 P 0.00 5.00 0.00 2.51 1.86 0.00 2.20 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 -1 H 8.92 4.60 0.00 3.55 3.41 0.00 7.32 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.47 4.14 0.00 1.58 1.64 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.77 4.68 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 1.00 0.00 0.00 0.95 0.00 0.00 6 I 8.94 4.87 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 1.07 0.00 0.00 7 E 9.68 4.95 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 8 A 8.26 4.96 1.03 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 9 T 7.86 3.43 2.69 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 -0.38 0.00 0.00 10 A 7.92 3.96 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 11 N 7.20 4.62 0.00 3.06 3.05 0.00 0.00 6.91 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.59 4.12 0.00 1.58 1.64 0.93 0.83 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 13 R 9.14 4.64 0.00 1.88 1.82 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 14 L 8.39 5.20 0.00 1.57 1.53 0.82 1.05 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 15 E 9.37 4.34 0.00 1.79 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 2.48 2.40 0.00 16 T 7.58 4.74 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 S 8.67 4.27 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.67 0.00 1.93 1.21 0.00 3.47 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 1.98 1.79 0.00 19 G 7.92 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 20 E 8.00 3.94 0.00 2.16 1.97 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 2.30 2.27 0.00 21 L 7.94 3.88 0.00 1.60 1.61 0.92 0.53 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 22 L 8.05 3.98 0.00 1.84 1.70 0.95 1.02 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 23 E 8.28 3.91 0.00 2.09 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 0.00 2.29 2.48 0.00 24 Q 8.41 3.99 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 25 A 8.35 4.02 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 26 N 8.56 4.31 0.00 2.99 2.90 0.00 0.00 6.97 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.49 4.10 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 28 A 8.00 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.19 4.28 0.00 1.97 1.92 0.86 0.95 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 30 F 8.86 4.44 0.00 3.25 3.17 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 31 A 8.26 3.97 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 32 S 7.60 4.14 0.00 3.90 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 33 G 7.41 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.23 4.06 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.61 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 35 F 7.39 5.48 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.96 4.05 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 0.00 0.00 0.00 37 E 9.23 3.46 0.00 1.33 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 0.00 1.79 1.72 0.00 38 A 7.87 4.10 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 39 D 7.96 4.61 0.00 3.03 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 40 I 7.12 4.25 1.87 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.88 0.00 0.00 41 K 8.59 4.62 0.00 1.48 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.51 7.81 42 S 8.67 6.04 0.00 3.85 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 43 R 8.37 4.81 0.00 1.86 2.04 0.00 3.11 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.91 5.22 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 45 V 8.41 4.26 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 0.85 0.00 0.00 0.89 0.00 0.00 46 T 8.37 4.39 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 1.27 0.00 0.00 47 L 8.77 4.43 0.00 1.31 1.64 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.05 4.18 0.00 1.99 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 2.31 2.26 0.00 49 A 7.97 4.49 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 50 Y 7.44 5.04 0.00 3.12 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 51 R 8.54 4.67 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 52 Q 8.71 4.53 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 53 G 8.77 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 0.00 0.00 0.00 54 T 8.39 4.47 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 55 A 7.92 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.42 4.64 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.32 4.59 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 0.76 0.00 0.00 1.05 0.00 0.00 58 E 9.11 4.29 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 59 R 8.71 5.13 0.00 1.80 2.02 0.00 3.27 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 60 A 8.64 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.02 5.09 0.00 3.15 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 62 L 9.11 5.22 0.00 1.77 1.55 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.61 5.59 0.00 3.30 3.16 0.00 5.77 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 64 A 8.70 5.17 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 65 C 9.05 4.98 0.00 2.96 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 66 L 8.94 5.13 0.00 1.78 1.51 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.71 5.31 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.45 4.54 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.97 0.00 0.00 69 L 8.28 4.40 0.00 1.50 1.56 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.56 4.59 0.00 2.81 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 71 G 7.96 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 72 R 7.74 4.25 0.00 1.82 1.86 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 D 8.23 4.69 0.00 2.93 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 74 A 8.47 3.95 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 75 A 7.95 3.94 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 76 T 8.34 3.81 4.42 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 1.18 0.00 0.00 77 R 7.90 3.96 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 78 Q 8.32 3.95 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.18 4.02 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 80 L 8.12 4.09 0.00 1.94 1.83 1.09 0.82 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 81 G 8.13 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 0.00 0.00 0.00 82 E 8.31 3.99 0.00 2.02 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 2.51 2.46 0.00 83 S 8.23 4.11 0.00 3.92 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 84 L 7.95 4.04 0.00 1.93 1.72 0.93 0.86 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 85 C 8.34 4.09 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 86 E 8.34 3.91 0.00 2.22 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 2.32 2.38 0.00 87 V 7.36 3.56 2.24 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 0.91 0.00 0.00 1.01 0.00 0.00 88 L 8.28 4.14 0.00 1.73 1.74 0.94 1.02 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 89 A 8.47 4.13 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 90 G 8.04 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 91 A 7.82 4.39 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 92 V 7.20 3.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.03 0.00 0.00 93 A 9.07 4.38 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 94 G 7.50 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 95 G 9.12 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.21 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 0.00 0.00 0.00 0.00 97 E 8.75 4.51 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 98 E 7.63 4.53 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 99 G 8.60 3.76 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 0.00 100 V 8.00 4.52 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 0.88 0.00 0.00 0.95 0.00 0.00 101 Q 8.78 4.31 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.48 5.11 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 0.87 0.00 0.00 1.02 0.00 0.00 103 S 9.13 4.88 0.00 3.94 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 0.00 104 V 8.20 4.74 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 0.79 0.00 0.00 0.96 0.00 0.00 105 E 9.10 4.55 0.00 2.15 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 2.26 2.26 0.00 106 V 8.40 4.91 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 0.92 0.00 0.00 1.01 0.00 0.00 107 R 9.18 4.77 0.00 1.85 2.17 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 E 8.23 5.82 0.00 1.94 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 2.20 2.21 0.00 *110 E 8.38 4.29 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 111 R 9.54 3.87 0.00 2.19 1.88 0.00 3.14 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 112 A 8.10 4.08 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 0.00 113 S 7.57 4.63 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.92 4.14 0.00 3.04 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 0.00 115 A 7.90 4.71 1.12 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 0.00 116 K 8.06 4.66 0.00 1.91 1.56 0.00 0.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.18 1.25 7.81 117 R 8.39 4.80 0.00 1.81 1.84 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 118 V 8.13 4.02 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 0.61 0.00 0.00 -0.02 0.00 0.00 119 V 8.18 3.95 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 0.83 0.00 0.00 0.91 0.00 0.00 120 A 8.31 4.07 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 0.00 121 R 8.41 4.04 0.00 1.75 1.80 0.00 3.25 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.