NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4425 8.3344 115.4131 57.9047 64.5299 172.9283 4 Q 3.8381 8.4342 126.1076 55.2962 30.4168 173.2549 5 K 4.5686 9.1614 127.0359 56.4143 33.9042 174.9847 6 Y 5.2262 9.3099 122.4512 56.0911 41.8951 174.5344 7 L 5.1610 8.8328 122.5304 53.1586 44.7663 175.5458 8 F 4.9948 9.7202 124.1329 56.2807 40.4725 174.8866 9 I 5.0489 8.8787 126.0085 59.0695 39.5262 175.4048 10 D 5.0971 8.8402 127.1656 54.3569 41.5861 175.4974 11 R 4.0966 8.7543 123.0150 58.4563 30.9621 175.4695 12 D 4.5891 7.8143 118.6546 55.4124 41.2719 177.0814 13 G 4.0791 9.5969 113.2431 45.9628 0.0000 172.8229 14 T 3.8579 7.4273 113.3470 64.8833 71.2105 176.1987 15 L 4.1489 8.4756 121.1594 56.8196 42.3079 176.9211 16 I 5.0262 7.1661 109.8107 58.5051 41.4173 175.0648 17 S 4.7481 9.1972 119.3632 58.2447 63.4962 173.6771 18 E 4.4589 8.6275 124.5696 54.1099 30.6981 174.0464 19 P 4.2489 0.0000 0.0000 62.1858 31.7977 175.6494 20 P 4.0099 0.0000 0.0000 65.3289 31.5987 177.6349 21 S 4.0744 7.7727 113.0859 60.8096 62.6561 175.2280 22 D 4.5049 7.1433 116.2451 51.8150 40.5822 174.8234 23 F 3.9532 7.5101 115.4614 58.5991 37.1319 174.7861 24 Q 4.3195 7.8543 118.3761 54.1539 31.2316 176.6591 25 V 3.9655 8.3534 124.2429 61.4939 29.9494 174.5861 26 D 5.3150 7.9771 118.0327 51.4848 40.4695 176.9228 27 R 4.6506 7.4190 117.8007 54.4403 34.4181 175.9322 28 F 4.2290 8.8136 119.7947 60.8732 39.0278 176.8852 29 D 4.6586 8.2071 116.6852 54.3864 39.4051 176.5872 30 K 4.3253 7.7425 118.8016 56.4383 32.8222 176.3185 31 L 4.2029 7.7376 122.2677 54.6125 42.7138 175.8319 32 A 4.7853 8.2427 126.0851 50.9518 22.5770 175.2340 33 F 4.5691 9.1077 121.5941 57.0006 39.9017 175.6217 34 E 4.4281 9.0322 121.9923 55.4657 30.8209 174.9545 35 P 4.3740 0.0000 0.0000 64.1428 32.0004 177.1951 36 G 4.0747 9.1644 110.4480 46.1013 0.0000 175.4663 37 V 2.7242 7.5813 121.4241 64.7075 31.0406 178.2681 38 I 3.8230 7.7741 120.2312 63.5137 37.0466 176.2780 39 P 4.2269 0.0000 0.0000 66.2548 30.9688 178.4256 40 Q 4.0002 8.1376 117.6556 58.7256 28.6080 178.5146 41 L 3.8650 7.8384 120.0591 57.5063 41.5463 179.5826 42 L 3.9179 8.0892 119.2652 57.5886 41.6937 179.3596 43 K 3.9498 8.2402 119.7008 59.5894 32.1198 178.8674 44 L 4.1586 8.2828 119.5713 57.8124 41.5177 179.4378 45 Q 4.2755 8.3047 119.7265 58.5164 28.4685 179.1522 46 K 4.0225 8.0127 117.8247 58.8881 32.1095 178.2679 47 A 4.4119 7.6303 118.3926 52.0831 18.7147 177.9132 48 G 3.7611 7.9557 106.1259 45.2182 0.0000 173.3221 49 Y 4.4248 7.9374 117.9992 57.3945 39.2236 174.8784 50 K 4.5458 8.6950 122.8327 54.9000 35.0965 175.2414 51 L 5.1297 8.2785 122.1875 52.9999 44.9500 175.5468 52 V 4.8833 8.6295 122.5826 61.3800 34.8582 173.7014 53 M 4.8764 8.9586 128.0948 54.5694 34.1174 174.5892 54 I 5.0845 8.7683 125.5176 59.7190 41.7812 173.6285 55 T 4.9011 8.9302 123.2752 60.7067 71.2728 171.9396 56 N 5.0372 8.8283 125.8872 52.5978 39.8797 175.2379 57 Q 4.6459 9.3530 124.5939 53.0263 29.6625 172.7388 58 D 4.7371 8.0306 119.9823 55.0791 41.2959 177.0602 59 G 3.9092 8.8841 112.2714 45.8128 0.0000 172.3648 60 L 3.6950 7.5680 121.8358 56.1060 42.2187 177.2524 61 G 3.7810 9.2210 114.5493 45.7039 0.0000 172.3135 62 T 4.6987 7.3242 109.6845 58.8681 71.8850 174.2589 63 Q 3.9638 8.8812 121.4832 59.6759 28.7093 177.7577 64 S 4.4666 8.0253 110.1877 59.8199 63.8091 174.7396 65 F 5.3696 8.0356 121.7292 56.5368 41.0505 171.1397 66 P 4.6076 0.0000 0.0000 62.2392 32.5410 177.3840 67 Q 3.7836 8.8523 122.0812 59.5457 28.7144 178.9484 68 A 3.9992 7.9987 121.0041 55.3518 18.3891 179.2184 69 D 4.4205 8.0811 117.0147 57.3368 40.8911 178.7724 70 F 4.3075 8.0733 120.8530 61.2414 39.4240 176.8188 71 D 4.4367 8.5575 119.0372 57.5304 40.6092 178.5338 72 G 3.4347 7.5431 104.6443 47.5155 0.0000 173.7819 73 P 4.1892 0.0000 0.0000 64.8312 31.3986 178.3253 74 H 3.8417 7.6656 116.9133 59.3726 29.6497 177.0909 75 N 4.2974 8.4205 118.6578 56.1437 38.2424 177.2275 76 L 3.9859 8.0509 121.8445 58.2785 42.2463 178.5178 77 M 4.2045 8.3603 118.4956 59.1074 32.1421 178.1002 78 M 4.2568 8.3370 118.9419 58.4179 32.0997 178.1375 79 Q 3.9912 8.3622 120.0346 59.5379 28.9933 178.9654 80 I 3.5972 7.9835 120.3682 64.3861 37.1439 178.2882 81 F 4.4470 8.2837 118.4505 61.2042 38.8681 177.9732 82 T 4.1950 8.9224 117.0814 66.2201 68.0763 176.9842 83 S 4.2067 8.3994 115.2717 60.9618 62.9988 175.5313 84 Q 4.3998 7.6186 119.2927 55.5639 28.9092 176.3874 85 G 3.9165 8.1638 109.0166 44.9129 0.0000 173.6636 86 V 4.0017 8.0267 120.9636 61.6855 32.0834 174.6920 87 Q 4.5089 8.1775 125.7251 53.9606 31.4121 174.6448 88 F 4.7523 8.5485 121.2319 55.7788 40.5818 175.4343 89 D 4.7242 9.2296 126.8403 57.3315 41.2840 176.8754 90 E 4.8419 8.2405 115.5024 54.7505 34.5501 174.7291 91 V 4.6623 8.5260 122.3253 61.4075 33.6023 174.5287 92 L 4.7394 9.2804 129.5027 53.1851 43.5738 175.8000 93 I 4.9019 8.3114 124.3413 59.5182 40.3448 174.4176 94 C 4.5798 8.8440 127.9977 57.4176 32.7565 171.8580 95 P 4.7228 0.0000 0.0000 63.4857 32.3150 175.8279 96 H 4.7606 7.8216 118.3129 55.1797 29.9610 174.7254 97 L 4.3637 8.5936 122.0668 53.9213 42.5251 176.6720 98 P 4.1907 0.0000 0.0000 65.8202 31.3841 178.6673 99 A 4.1461 7.8962 118.9638 54.5587 18.5121 178.2039 100 D 4.3330 7.9985 115.6086 55.4941 41.4348 176.3684 101 E 3.6875 7.7882 117.2743 57.3651 27.1479 173.3017 102 C 4.3903 7.5487 112.5863 57.6838 31.4085 173.4684 103 D 4.5927 8.3793 118.1359 55.1012 40.7706 177.0684 104 C 4.6322 7.7177 112.0199 57.5035 31.0231 173.8672 105 R 4.1632 7.7567 122.6723 55.7131 30.1907 175.5682 106 K 4.1322 8.6680 125.5140 56.8117 32.4865 174.7588 107 P 4.7057 0.0000 0.0000 62.3573 31.6107 176.0190 108 K 4.0224 7.9071 118.6584 57.3905 32.5017 177.2243 109 V 4.1110 8.0842 119.3559 61.2366 32.5266 177.4531 110 K 3.7868 8.2275 123.1156 59.9103 31.9450 178.4527 111 L 4.0307 8.0007 116.3804 57.1313 41.8002 178.1010 112 V 4.5617 7.7645 116.4491 62.4898 32.0773 176.6447 113 E 3.9421 8.2906 120.7417 59.6390 29.5441 179.2420 114 R 3.8154 8.1813 117.0829 59.6991 29.9702 177.1168 115 Y 4.1451 7.7986 113.9414 60.4248 38.4254 176.7204 116 L 4.2173 7.4729 121.9540 53.2437 40.1614 175.5095 *121 M 4.5782 7.5714 117.2692 55.3379 33.8186 174.7560 122 D 4.6467 8.9447 126.6552 53.3930 39.9890 176.6302 123 R 4.0006 8.5126 126.2302 58.8276 30.4647 179.3442 124 A 4.1142 7.6876 118.5786 54.4338 18.4330 177.5817 125 N 5.1888 8.1828 110.7144 53.0219 40.4493 174.6030 126 S 5.4308 7.8663 114.2589 57.3687 66.0648 172.8823 127 Y 5.2948 9.2292 119.2576 56.5299 42.8159 174.2398 128 V 4.7738 8.9773 123.1281 62.0015 33.5779 174.6018 129 I 4.9377 8.9681 129.2948 59.8514 39.5831 174.9506 130 G 4.6353 8.8806 113.5146 45.2301 0.0000 172.6945 131 D 5.3136 8.7987 117.1332 52.4166 40.4235 176.4468 132 R 4.6934 7.9686 119.1570 53.8931 33.2775 176.3838 133 A 4.0436 8.6795 122.1592 55.8817 18.1135 180.3984 134 T 3.8250 7.8670 107.5188 64.8386 68.8639 176.5201 135 D 4.3399 8.0785 122.0957 57.2811 40.8660 178.6667 136 I 3.7337 7.6910 119.9271 64.3564 37.1549 178.0714 137 Q 3.9403 8.3961 120.7662 58.9496 28.7844 177.8853 138 L 4.0135 8.1459 121.3117 58.1527 42.0797 178.7361 139 A 3.9196 7.9202 120.5393 55.1977 18.4081 179.1847 140 E 3.8439 8.0639 117.5414 59.6758 29.5407 178.8516 141 N 4.3560 8.3462 115.4372 56.3143 38.6368 176.6861 142 M 4.2311 8.1727 118.6406 55.1415 32.3810 176.4827 143 G 3.7988 7.8545 106.9540 46.5736 0.0000 172.7147 144 I 4.7021 7.4506 112.3988 58.3839 41.1671 174.4479 145 N 4.5889 8.3784 118.4433 53.1804 39.6287 174.8729 146 G 4.4931 8.6269 107.8579 44.4417 0.0000 172.0261 147 L 4.7813 9.2879 124.4379 52.7926 44.5782 175.9191 148 R 4.5393 8.6479 125.3342 55.0936 29.7841 174.6534 149 Y 4.1058 8.9241 128.7547 57.5131 40.3011 174.5185 150 D 4.4214 7.8643 125.2303 52.1441 44.2322 175.7823 151 R 3.6746 8.5200 127.0066 59.1330 30.3535 177.0023 152 E 4.2691 8.2679 116.4192 57.7941 30.0234 177.0887 153 T 4.4472 7.6815 105.3397 61.6108 70.9282 174.6376 154 L 4.3989 7.6631 123.8355 52.8574 43.4946 173.2110 155 N 4.8340 7.4932 121.4470 50.1371 41.5636 175.2650 156 W 4.4284 8.7030 118.8747 59.9210 29.1459 176.7071 157 P 4.3807 0.0000 0.0000 65.8533 30.7012 178.5812 158 M 4.0714 8.2100 116.9678 58.5074 31.8992 178.8807 159 I 3.7071 8.1685 120.4494 64.2175 37.0087 178.7324 160 G 3.9610 8.3185 107.3268 47.1677 0.0000 175.0977 161 E 4.0888 8.2734 121.8227 59.0093 29.5228 178.5009 162 Q 4.0004 7.9400 118.1729 59.2608 29.2836 177.8320 163 L 4.3778 7.7770 116.3614 55.4086 41.9314 177.0636 164 T 4.2975 7.5777 115.1103 61.7038 68.8021 173.7610 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 3 S 8.33 4.44 0.00 4.01 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 4 Q 8.43 3.84 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.11 0.00 0.00 0.00 0.00 0.00 1.70 1.34 0.00 5 K 9.16 4.57 0.00 1.39 1.56 0.00 1.16 0.00 0.00 1.60 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.28 7.81 6 Y 9.31 5.23 0.00 2.85 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 0.00 0.00 0.00 7 L 8.83 5.16 0.00 1.55 1.59 0.65 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.72 4.99 0.00 2.94 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 9 I 8.88 5.05 2.02 0.00 0.00 1.00 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 0.99 1.18 0.00 0.00 10 D 8.84 5.10 0.00 2.71 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 11 R 8.75 4.10 0.00 1.87 1.85 0.00 3.27 0.00 0.00 3.43 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 D 7.81 4.59 0.00 2.77 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 0.00 13 G 9.60 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.43 3.86 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 1.08 0.00 0.00 15 L 8.48 4.15 0.00 1.76 1.76 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.17 5.03 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 1.42 0.95 0.43 0.00 0.00 17 S 9.20 4.75 0.00 3.78 3.88 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 18 E 8.63 4.46 0.00 2.14 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 2.36 2.48 0.00 19 P 0.00 4.25 0.00 2.08 1.90 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 20 P 0.00 4.01 0.00 2.06 2.10 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 21 S 7.77 4.07 0.00 3.89 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 22 D 7.14 4.50 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.51 3.95 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.85 4.32 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.28 0.00 0.00 0.00 0.00 0.00 1.85 2.25 0.00 25 V 8.35 3.97 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 0.80 0.00 0.00 0.96 0.00 0.00 26 D 7.98 5.32 0.00 2.92 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 27 R 7.42 4.65 0.00 1.90 1.86 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 28 F 8.81 4.23 0.00 3.11 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 29 D 8.21 4.66 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.74 4.33 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.35 7.81 31 L 7.74 4.20 0.00 1.67 1.84 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.24 4.79 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 33 F 9.11 4.57 0.00 2.77 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 34 E 9.03 4.43 0.00 2.20 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 0.00 2.39 2.58 0.00 35 P 0.00 4.37 0.00 2.21 2.11 0.00 4.05 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 36 G 9.16 4.07 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 0.00 37 V 7.58 2.72 1.72 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 1.03 0.00 0.00 0.11 0.00 0.00 38 I 7.77 3.82 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.72 0.94 0.00 0.00 39 P 0.00 4.23 0.00 2.27 2.33 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 40 Q 8.14 4.00 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.69 2.86 0.00 41 L 7.84 3.87 0.00 1.52 1.43 0.46 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.09 3.92 0.00 1.84 1.70 0.97 0.73 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 43 K 8.24 3.95 0.00 1.92 2.03 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.28 4.16 0.00 1.80 1.65 0.95 0.76 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 45 Q 8.30 4.28 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 46 K 8.01 4.02 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 47 A 7.63 4.41 1.48 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 0.00 0.00 48 G 7.96 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 49 Y 7.94 4.42 0.00 3.05 2.83 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 50 K 8.69 4.55 0.00 1.31 1.86 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.40 7.81 51 L 8.28 5.13 0.00 1.28 1.39 0.33 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.63 4.88 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 0.85 0.00 0.00 0.62 0.00 0.00 53 M 8.96 4.88 0.00 1.90 1.14 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 54 I 8.77 5.08 1.95 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 1.13 1.33 1.00 0.00 0.00 55 T 8.93 4.90 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 1.24 0.00 0.00 56 N 8.83 5.04 0.00 2.65 2.74 0.00 0.00 6.82 7.69 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 57 Q 9.35 4.65 0.00 1.71 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 58 D 8.03 4.74 0.00 2.69 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 59 G 8.88 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 0.00 0.00 0.00 60 L 7.57 3.69 0.00 1.29 1.32 -0.17 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.22 3.78 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 0.00 0.00 0.00 62 T 7.32 4.70 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 63 Q 8.88 3.96 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 64 S 8.03 4.47 0.00 3.95 3.93 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 65 F 8.04 5.37 0.00 3.13 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 66 P 0.00 4.61 0.00 2.27 1.99 0.00 4.00 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 67 Q 8.85 3.78 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 68 A 8.00 4.00 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 69 D 8.08 4.42 0.00 3.20 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 70 F 8.07 4.31 0.00 2.38 2.90 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 0.00 0.00 0.00 71 D 8.56 4.44 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.54 3.43 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 0.00 73 P 0.00 4.19 0.00 1.95 1.97 0.00 3.41 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.50 0.00 74 H 7.67 3.84 0.00 2.04 2.75 0.00 5.79 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 75 N 8.42 4.30 0.00 2.84 2.89 0.00 0.00 6.74 6.37 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 76 L 8.05 3.99 0.00 2.07 1.98 0.93 1.01 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 77 M 8.36 4.20 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.65 0.00 78 M 8.34 4.26 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 79 Q 8.36 3.99 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 80 I 7.98 3.60 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.31 0.00 0.00 81 F 8.28 4.45 0.00 3.44 3.32 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 82 T 8.92 4.20 4.39 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 1.26 0.00 0.00 83 S 8.40 4.21 0.00 3.98 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 84 Q 7.62 4.40 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.48 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 85 G 8.16 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 86 V 8.03 4.00 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 0.34 0.00 0.00 0.97 0.00 0.00 87 Q 8.18 4.51 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.50 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 88 F 8.55 4.75 0.00 3.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.23 4.72 0.00 2.77 2.91 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 90 E 8.24 4.84 0.00 2.03 1.89 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 2.40 2.48 0.00 91 V 8.53 4.66 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 0.84 0.00 0.00 0.92 0.00 0.00 92 L 9.28 4.74 0.00 1.70 1.60 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.31 4.90 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.65 0.00 0.00 94 C 8.84 4.58 0.00 3.14 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 95 P 0.00 4.72 0.00 2.07 2.01 0.00 3.50 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 96 H 7.82 4.76 0.00 3.27 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.59 4.36 0.00 1.86 1.59 0.94 0.89 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 98 P 0.00 4.19 0.00 2.15 2.09 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 99 A 7.90 4.15 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 0.00 100 D 8.00 4.33 0.00 2.84 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 0.00 101 E 7.79 3.69 0.00 2.10 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 2.23 2.35 0.00 102 C 7.55 4.39 0.00 2.83 2.68 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 0.00 0.00 0.00 103 D 8.38 4.59 0.00 2.66 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 0.00 104 C 7.72 4.63 0.00 3.05 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 0.00 105 R 7.76 4.16 0.00 1.87 1.84 0.00 3.19 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 106 K 8.67 4.13 0.00 1.79 1.74 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.41 0.00 115 Y 7.80 4.15 0.00 3.07 3.03 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 0.00 116 L 7.47 4.22 0.00 1.81 1.63 0.89 0.64 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 *121 M 7.57 4.58 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.75 0.00 122 D 8.94 4.65 0.00 2.89 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 0.00 123 R 8.51 4.00 0.00 1.93 1.97 0.00 3.20 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 124 A 7.69 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 5.19 0.00 2.79 2.90 0.00 0.00 6.87 6.96 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 0.00 126 S 7.87 5.43 0.00 3.95 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 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8.08 4.34 0.00 2.88 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 0.00 136 I 7.69 3.73 2.03 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 1.71 1.14 0.92 0.00 0.00 137 Q 8.40 3.94 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.15 4.01 0.00 1.76 1.85 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.92 3.92 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 0.00 140 E 8.06 3.84 0.00 2.06 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 2.29 2.34 0.00 141 N 8.35 4.36 0.00 2.76 2.83 0.00 0.00 7.13 7.42 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 0.00 142 M 8.17 4.23 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.34 0.00 143 G 7.85 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 0.00 0.00 0.00 144 I 7.45 4.70 2.05 0.00 0.00 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 1.17 0.76 1.03 0.00 0.00 145 N 8.38 4.59 0.00 1.94 2.66 0.00 0.00 7.10 7.58 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 0.00 146 G 8.63 4.49 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 0.00 147 L 9.29 4.78 0.00 1.50 1.49 0.59 0.65 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 0.00 148 R 8.65 4.54 0.00 1.80 1.85 0.00 3.44 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 149 Y 8.92 4.11 0.00 2.84 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 0.00 150 D 7.86 4.42 0.00 2.55 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 0.00 0.00 0.00 0.00 151 R 8.52 3.67 0.00 1.90 1.95 0.00 3.33 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 152 E 8.27 4.27 0.00 2.09 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 2.28 2.26 0.00 153 T 7.68 4.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 154 L 7.66 4.40 0.00 1.57 1.43 0.83 0.28 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 0.00 155 N 7.49 4.83 0.00 3.01 2.92 0.00 0.00 6.11 8.88 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 0.00 156 W 8.70 4.43 0.00 3.77 3.34 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 0.00 157 P 0.00 4.38 0.00 2.21 2.17 0.00 3.98 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 158 M 8.21 4.07 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 159 I 8.17 3.71 2.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.81 0.00 0.00 160 G 8.32 3.96 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 0.00 0.00 0.00 161 E 8.27 4.09 0.00 2.15 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 2.32 2.33 0.00 162 Q 7.94 4.00 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 163 L 7.78 4.38 0.00 1.60 1.53 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.58 4.30 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 1.35 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.