NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4420 8.3349 115.5375 58.2610 64.7707 172.8671 1 M 4.2926 8.6691 123.0091 54.5905 33.1812 173.7287 2 K 5.1230 10.4494 125.4747 54.7045 35.2885 174.8485 3 L 5.3326 9.3420 125.6654 52.8478 44.6758 175.1073 4 L 4.7728 8.4539 125.8344 53.0453 44.7487 174.7288 5 F 5.2830 8.9511 124.9663 55.7668 41.5458 174.8153 6 V 5.3578 9.5384 123.4886 60.4263 34.7122 174.0219 7 C 5.0893 8.2061 121.6807 57.7878 32.6973 173.1352 8 L 4.0858 8.4774 117.9199 57.5182 41.6934 180.3633 9 G 3.6688 8.2057 106.5207 44.9696 0.0000 172.5082 10 N 4.7344 8.4486 116.7507 53.9697 37.3649 174.1769 11 I 4.4788 7.5658 109.3150 60.5052 39.5379 174.6145 12 C 4.8370 7.2030 117.8870 60.2615 34.7676 175.7500 13 R 3.8705 8.0113 117.1972 59.4023 30.3045 179.1890 14 S 4.1615 8.0313 113.5373 61.1266 63.0023 174.5792 15 P 4.2426 0.0000 0.0000 65.0082 31.1082 178.3893 16 A 3.8667 7.8525 119.1807 55.0075 18.1962 179.5154 17 A 3.5270 8.0468 119.4853 54.9951 18.3976 179.3503 18 E 3.3943 7.8265 117.5137 59.2587 29.8198 178.9708 19 A 3.9362 7.7673 120.6398 55.0682 18.3846 179.7772 20 V 2.9324 7.7298 117.0962 66.1409 31.4565 177.8587 21 M 3.7618 7.7625 118.2304 58.3071 31.9870 177.9553 22 K 3.8730 8.0083 119.7479 59.5285 32.3640 178.6930 23 K 3.9892 7.9708 119.3775 59.3178 32.2331 178.9382 24 V 3.5670 8.0311 118.6938 66.1042 31.4549 177.7886 25 I 3.5669 7.8089 119.7654 64.5059 36.9221 177.9965 26 Q 3.9996 8.0258 121.2565 58.9052 28.7206 178.0659 27 N 4.2055 8.2726 116.2284 56.3984 38.6136 176.0446 28 H 4.5617 7.8520 114.3409 54.7717 29.5314 174.6441 29 H 4.1109 7.9572 117.1029 57.6151 26.8247 175.1375 30 L 4.9040 8.0804 114.6786 54.8946 42.5405 179.3221 31 T 4.0081 8.1034 118.8663 66.6589 68.5781 176.1976 32 E 4.0030 8.4100 123.5036 59.2174 29.9896 178.0829 33 K 4.1957 8.0847 119.1073 55.1860 32.4203 179.0576 34 Y 5.4112 7.6404 113.6068 56.8791 41.5784 174.8650 35 I 4.7811 9.0294 122.8377 59.4697 41.4787 173.7543 36 C 5.6818 8.8777 125.3373 58.4875 31.4516 172.3103 37 D 5.0177 9.0972 120.4675 53.5020 45.1027 173.6351 38 S 5.2706 8.4108 114.3236 57.2402 66.6396 172.5213 39 A 4.6664 8.5974 121.0613 51.3647 23.2495 175.2518 40 G 4.5241 8.8726 106.3951 44.4823 0.0000 174.6761 41 T 4.4317 9.1571 112.8437 63.4557 70.0313 173.3179 42 C 4.9915 8.1884 123.3372 57.7037 33.3408 174.0646 43 S 4.4236 8.9610 123.0728 60.0918 63.2088 176.1234 *44 Y 3.9940 8.0536 119.4609 60.2342 36.5556 182.3830 45 H 4.7386 8.3043 117.9817 55.8095 29.0939 175.5187 46 E 4.0170 7.6710 116.2831 57.7566 29.8411 181.3623 47 G 4.1575 8.9529 111.5296 44.7683 0.0000 174.2663 48 Q 4.2874 7.6988 118.8834 55.5566 29.8256 176.3029 49 Q 4.4960 8.6720 120.9682 55.8111 29.5726 176.2408 50 A 4.3265 7.9175 123.0748 51.6006 19.5896 177.0197 51 D 4.3768 9.2682 119.4969 55.1995 41.7354 177.9551 52 S 4.0911 9.1102 121.0309 61.7951 62.7423 176.7541 53 R 3.6298 7.9234 121.6241 59.0701 29.8186 177.8219 54 M 4.0592 8.4356 118.1350 58.8986 32.2178 178.4364 55 R 3.9851 8.2268 118.2726 58.8992 30.1422 179.1094 56 K 3.8700 7.7099 119.1281 59.4115 32.4475 178.9859 57 V 3.6099 7.9703 119.0347 65.9199 31.3171 178.0558 58 G 3.8617 8.4383 105.7267 47.8684 0.0000 175.2839 59 K 4.1216 8.4465 124.2867 58.5657 31.9398 178.8946 60 S 4.2377 8.0108 113.0989 60.5623 62.7736 175.7032 61 R 4.5305 7.3821 118.3680 55.5150 30.3860 176.6340 62 G 3.6315 7.8660 106.2093 45.3382 0.0000 173.0727 63 Y 4.6477 7.9621 117.5271 55.8569 40.0047 174.9205 64 Q 4.5698 8.6345 125.9426 54.8087 28.5299 175.1329 65 V 4.0385 8.0084 126.7879 61.2791 30.0168 174.7803 66 D 4.8816 8.0183 119.2980 52.1213 40.1365 177.0526 67 S 4.2181 7.9417 115.0594 59.5159 63.4541 172.7166 68 I 4.8382 8.1193 126.5398 59.2407 38.9538 175.4802 69 S 4.4736 9.0459 123.1332 58.8600 63.3624 173.1320 70 R 5.0777 8.3524 121.5968 54.1927 32.8156 172.2942 71 P 5.0109 0.0000 0.0000 62.0988 32.8489 175.9193 72 V 3.8408 8.6011 122.5156 63.2744 32.1614 175.7003 73 V 4.5896 8.7576 120.3669 58.7429 35.2010 176.8447 74 S 4.5191 8.5900 115.8888 61.7440 62.6177 176.4818 75 S 4.2952 8.0563 116.8305 60.6745 62.9535 175.8230 76 D 4.4572 7.9008 123.1511 57.5378 40.2352 178.6210 77 F 4.2241 7.5996 117.4108 59.8864 38.9141 177.5096 78 K 2.9991 7.5980 118.2576 59.1627 32.2858 178.2511 79 N 4.2900 8.0415 115.7320 55.2459 38.7586 176.0437 80 F 4.2498 7.3782 117.2985 57.2091 39.9593 175.1226 81 D 4.4907 8.9077 123.1468 56.4892 41.7708 176.8442 82 Y 5.1308 7.7829 113.7901 56.3414 42.8553 174.4611 83 I 4.8244 8.7085 122.7287 59.4526 41.4905 174.3182 84 F 5.3728 9.1401 125.2194 55.6119 41.9853 174.2218 85 A 4.8551 9.2960 126.8515 51.7584 19.5639 178.1482 86 M 4.3765 9.2725 122.2238 57.7258 33.6294 175.9180 87 D 5.2104 8.5698 116.7058 50.7920 43.2977 175.7983 88 N 4.4339 9.6688 116.3879 56.2543 38.1987 177.3303 89 D 4.5068 8.2422 119.1524 57.5705 41.4405 177.8823 90 N 4.3720 9.0220 117.4116 56.3443 38.5075 176.5214 91 Y 4.0711 8.0469 120.9463 61.2751 38.8021 178.1526 92 Y 4.0297 7.9207 117.1577 60.6347 37.4952 177.6432 93 E 3.9713 8.6144 120.7467 59.3124 29.8716 178.9297 94 L 4.1354 8.4138 119.2972 57.9214 41.4975 179.5122 95 L 3.8149 7.4560 117.6678 57.7836 41.5391 178.8763 96 D 4.4490 8.0513 118.1138 57.0676 40.8550 178.3421 97 R 4.2893 7.3380 115.4788 55.8254 31.0043 176.2861 98 C 2.9529 6.7883 119.4143 57.2271 32.1975 171.4236 99 P 4.1763 0.0000 0.0000 62.6479 31.9592 176.4972 100 E 3.7334 8.9143 122.9023 59.8919 29.1558 179.1371 101 Q 3.8444 7.8394 117.2201 58.5757 29.0855 177.0270 102 Y 4.9069 7.7100 115.0455 57.4075 39.1567 177.4685 103 K 3.9825 8.0605 121.6049 59.2038 31.8689 178.8776 104 Q 4.0556 8.0907 116.0584 58.5907 28.6735 177.6348 105 K 4.3551 8.2703 117.7812 57.9589 32.5023 176.0560 106 I 4.8323 7.3148 120.2335 60.0627 38.0304 175.3353 107 F 5.0295 9.1908 125.1140 55.4467 43.9074 174.1446 108 K 4.5832 8.5674 119.8923 56.0908 33.1870 177.6616 109 M 4.2904 9.5063 125.0601 59.2920 32.2413 179.0854 110 V 3.8370 7.8426 111.0285 63.6578 31.5662 177.4602 111 D 4.4184 7.8866 117.3834 55.7686 40.4892 176.6396 112 F 4.5679 7.8831 117.5614 57.1805 39.7560 175.5475 113 C 4.6426 7.8696 120.2150 60.0835 28.4030 173.4281 114 T 4.3940 9.5488 114.0805 62.3836 70.2109 175.1447 115 T 4.2888 8.1397 114.4754 62.9798 68.7380 174.7728 116 I 3.9078 8.2452 124.8283 61.7444 37.8626 177.8073 117 K 4.4312 8.3705 128.9171 53.0487 30.2689 172.7505 118 T 4.7742 7.4601 112.5934 59.8652 71.8475 175.2497 119 T 4.3388 8.3040 111.6886 62.5081 69.8632 174.0781 120 E 4.7442 7.4753 119.6419 55.0200 33.9284 174.7312 121 V 3.9787 8.4459 123.2188 61.8548 31.8328 174.3217 122 P 4.5137 0.0000 0.0000 62.3797 32.6425 175.5104 123 D 4.4617 8.5365 121.4169 53.0900 41.5240 176.9143 124 P 4.0888 0.0000 0.0000 62.0322 30.0873 176.1965 125 Y 4.3991 8.5120 118.4806 57.4952 40.9845 174.9192 *128 G 3.9937 8.2222 116.2298 45.2873 0.0000 171.8495 129 E 4.1420 9.0611 117.5217 59.8191 29.4847 179.0184 130 K 4.1717 8.2895 119.0189 59.4537 32.2150 178.6340 131 G 3.5332 8.1281 106.1021 47.8429 0.0000 175.6293 132 F 3.9521 7.8561 118.7616 60.6647 38.9336 177.5120 133 H 4.2416 8.2252 115.4192 58.7828 28.5846 177.6735 134 R 3.9061 8.1821 120.6323 59.2321 29.9142 178.6180 135 V 3.5075 7.7267 118.0270 66.2172 31.4525 178.1308 136 I 3.6002 7.5536 118.8718 64.2543 37.0178 177.9894 137 D 4.3779 8.5930 120.1330 57.6233 40.6564 179.0899 138 I 3.6991 7.7869 119.9583 64.4154 37.1173 178.5715 139 L 3.8680 7.9179 119.7603 57.6043 41.4257 179.2122 140 E 3.8675 8.3913 119.0172 59.5535 29.5512 178.8222 141 D 4.2433 7.9434 117.0466 57.3434 41.2730 178.0344 142 A 4.2066 8.0598 122.4464 55.0036 18.4579 179.4891 143 C 3.8679 8.5360 115.4774 62.5066 27.5669 175.9822 144 E 3.8039 7.9313 120.6242 59.3340 29.2164 178.4484 145 N 4.3265 7.9902 116.6504 56.4264 38.9322 176.5230 146 L 3.4021 7.8972 122.0613 57.9854 42.2079 178.8363 147 I 3.3626 7.4345 118.4987 63.7847 37.5743 177.7585 148 I 3.6439 7.0029 118.9464 64.4930 37.3349 178.1178 149 K 4.1098 8.1551 119.1660 59.6008 31.6412 179.4826 150 L 4.0011 8.1952 119.5744 57.6854 41.2939 179.1271 151 E 4.1996 7.9323 116.7875 58.5578 29.6013 178.5409 152 E 4.2833 8.0725 118.5423 58.5330 30.0478 177.8390 153 G 3.9630 7.0588 104.9756 45.6255 0.0000 171.6093 154 K 4.2603 8.3202 123.1917 56.1724 32.9496 177.5622 155 L 4.1756 8.4094 126.0465 55.1503 41.8107 177.2071 156 I 4.8182 8.1938 120.4075 60.7566 39.7961 175.0520 157 N 4.4854 8.2939 123.1982 53.5158 38.3416 174.8162 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 0 S 8.33 4.44 0.00 3.90 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 1 M 8.67 4.29 0.00 2.11 1.70 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 10.45 5.12 0.00 1.50 1.50 0.00 1.33 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.48 7.81 3 L 9.34 5.33 0.00 1.76 1.56 1.01 0.84 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 4 L 8.45 4.77 0.00 0.27 0.91 0.42 0.07 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 5 F 8.95 5.28 0.00 3.02 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 6 V 9.54 5.36 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 1.26 0.00 0.00 0.83 0.00 0.00 7 C 8.21 5.09 0.00 3.01 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 8 L 8.48 4.09 0.00 1.84 1.69 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.21 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.45 4.73 0.00 2.94 2.86 0.00 0.00 7.12 7.94 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 11 I 7.57 4.48 1.88 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 1.22 0.79 0.93 0.00 0.00 12 C 7.20 4.84 0.00 3.01 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 13 R 8.01 3.87 0.00 1.89 1.94 0.00 3.30 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 S 8.03 4.16 0.00 4.30 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 0.00 15 P 0.00 4.24 0.00 2.18 2.14 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 16 A 7.85 3.87 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 17 A 8.05 3.53 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 18 E 7.83 3.39 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 19 A 7.77 3.94 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 20 V 7.73 2.93 1.63 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 0.69 0.00 0.00 0.05 0.00 0.00 21 M 7.76 3.76 0.00 1.83 1.49 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 22 K 8.01 3.87 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 23 K 7.97 3.99 0.00 2.10 2.21 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.53 7.81 24 V 8.03 3.57 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 0.91 0.00 0.00 0.96 0.00 0.00 25 I 7.81 3.57 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.37 0.99 0.00 0.00 26 Q 8.03 4.00 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 27 N 8.27 4.21 0.00 2.90 2.84 0.00 0.00 7.12 7.78 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 28 H 7.85 4.56 0.00 3.25 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.96 4.11 0.00 3.28 3.38 0.00 5.79 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 30 L 8.08 4.90 0.00 1.89 1.95 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.10 4.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 32 E 8.41 4.00 0.00 1.95 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 2.28 2.31 0.00 33 K 8.08 4.20 0.00 1.74 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.33 1.27 7.81 34 Y 7.64 5.41 0.00 2.85 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 35 I 9.03 4.78 1.92 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 1.31 1.85 1.00 0.00 0.00 36 C 8.88 5.68 0.00 2.98 3.02 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 37 D 9.10 5.02 0.00 3.04 2.53 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 38 S 8.41 5.27 0.00 4.06 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 39 A 8.60 4.67 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.87 4.52 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 0.00 0.00 0.00 41 T 9.16 4.43 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 42 C 8.19 4.99 0.00 3.00 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 43 S 8.96 4.42 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 Y 8.05 3.99 0.00 2.33 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 0.00 0.00 0.00 45 H 8.30 4.74 0.00 3.39 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.67 4.02 0.00 2.02 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 2.27 2.15 0.00 47 G 8.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.70 4.29 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 49 Q 8.67 4.50 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 50 A 7.92 4.33 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 51 D 9.27 4.38 0.00 2.95 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 52 S 9.11 4.09 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.92 3.63 0.00 1.62 1.46 0.00 2.89 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 54 M 8.44 4.06 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 55 R 8.23 3.99 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 56 K 7.71 3.87 0.00 1.80 1.94 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 57 V 7.97 3.61 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 0.78 0.00 0.00 0.77 0.00 0.00 58 G 8.44 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 59 K 8.45 4.12 0.00 1.91 2.02 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.30 7.81 60 S 8.01 4.24 0.00 4.08 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 61 R 7.38 4.53 0.00 2.00 2.01 0.00 3.34 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 62 G 7.87 3.63 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 0.00 0.00 0.00 63 Y 7.96 4.65 0.00 3.09 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 64 Q 8.63 4.57 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.31 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 65 V 8.01 4.04 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 0.89 0.00 0.00 0.95 0.00 0.00 66 D 8.02 4.88 0.00 2.78 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 67 S 7.94 4.22 0.00 4.13 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 68 I 8.12 4.84 1.89 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 1.25 1.04 0.98 0.00 0.00 69 S 9.05 4.47 0.00 4.03 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 70 R 8.35 5.08 0.00 1.88 1.97 0.00 3.03 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 71 P 0.00 5.01 0.00 2.11 2.10 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 72 V 8.60 3.84 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 0.42 0.00 0.00 0.85 0.00 0.00 73 V 8.76 4.59 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 0.86 0.00 0.00 0.97 0.00 0.00 74 S 8.59 4.52 0.00 4.22 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 0.00 75 S 8.06 4.30 0.00 4.06 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 0.00 76 D 7.90 4.46 0.00 2.44 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 77 F 7.60 4.22 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 78 K 7.60 3.00 0.00 1.56 1.83 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.46 7.81 79 N 8.04 4.29 0.00 2.55 2.51 0.00 0.00 7.15 7.22 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 80 F 7.38 4.25 0.00 3.06 2.92 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 81 D 8.91 4.49 0.00 2.65 2.34 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 82 Y 7.78 5.13 0.00 2.83 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 0.00 0.00 0.00 0.00 83 I 8.71 4.82 1.83 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 1.00 0.76 0.81 0.00 0.00 84 F 9.14 5.37 0.00 2.78 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 85 A 9.30 4.86 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 86 M 9.27 4.38 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 87 D 8.57 5.21 0.00 3.14 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 88 N 9.67 4.43 0.00 2.92 3.12 0.00 0.00 7.09 8.04 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 89 D 8.24 4.51 0.00 2.87 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 90 N 9.02 4.37 0.00 2.87 2.92 0.00 0.00 6.68 7.03 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 91 Y 8.05 4.07 0.00 3.01 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 92 Y 7.92 4.03 0.00 3.18 2.97 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 93 E 8.61 3.97 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 2.36 2.46 0.00 94 L 8.41 4.14 0.00 1.85 1.80 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.46 3.81 0.00 1.61 1.58 0.16 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.05 4.45 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 97 R 7.34 4.29 0.00 1.82 2.02 0.00 3.31 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 98 C 6.79 2.95 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.18 0.00 2.07 1.86 0.00 3.58 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 2.32 2.09 0.00 100 E 8.91 3.73 0.00 1.97 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 2.32 2.39 0.00 101 Q 7.84 3.84 0.00 1.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 1.83 2.19 0.00 102 Y 7.71 4.91 0.00 2.97 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 0.00 103 K 8.06 3.98 0.00 1.86 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.52 7.81 104 Q 8.09 4.06 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 105 K 8.27 4.36 0.00 2.05 1.94 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.52 7.81 106 I 7.31 4.83 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.83 0.00 0.00 107 F 9.19 5.03 0.00 2.92 3.28 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 0.00 108 K 8.57 4.58 0.00 1.77 1.66 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.94 0.52 7.81 109 M 9.51 4.29 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 110 V 7.84 3.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 111 D 7.89 4.42 0.00 2.63 2.51 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 0.00 112 F 7.88 4.57 0.00 3.20 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 0.00 113 C 7.87 4.64 0.00 3.08 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 0.00 114 T 9.55 4.39 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 1.22 0.00 0.00 115 T 8.14 4.29 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 0.00 116 I 8.25 3.91 1.97 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 1.15 0.64 0.90 0.00 0.00 117 K 8.37 4.43 0.00 1.76 1.62 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 0.98 7.81 118 T 7.46 4.77 4.36 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 1.20 0.00 0.00 119 T 8.30 4.34 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 120 E 7.48 4.74 0.00 1.83 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 2.23 2.31 0.00 121 V 8.45 3.98 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 0.71 0.00 0.00 0.94 0.00 0.00 122 P 0.00 4.51 0.00 2.04 1.99 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 123 D 8.54 4.46 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.09 0.00 0.49 1.14 0.00 3.52 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.35 0.00 125 Y 8.51 4.40 0.00 2.77 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 *128 G 8.22 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 0.00 0.00 0.00 129 E 9.06 4.14 0.00 2.09 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 2.43 2.44 0.00 130 K 8.29 4.17 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.59 7.81 131 G 8.13 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 0.00 132 F 7.86 3.95 0.00 3.11 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 0.00 133 H 8.23 4.24 0.00 3.36 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.18 3.91 0.00 1.91 2.01 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 135 V 7.73 3.51 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 0.88 0.00 0.00 0.84 0.00 0.00 136 I 7.55 3.60 2.01 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 1.42 0.67 0.88 0.00 0.00 137 D 8.59 4.38 0.00 2.81 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 0.00 138 I 7.79 3.70 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 1.50 0.67 0.89 0.00 0.00 139 L 7.92 3.87 0.00 1.62 1.46 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.39 3.87 0.00 2.12 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 2.40 2.41 0.00 141 D 7.94 4.24 0.00 2.81 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 0.00 142 A 8.06 4.21 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 0.00 143 C 8.54 3.87 0.00 2.84 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 0.00 144 E 7.93 3.80 0.00 2.24 1.92 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 2.31 2.36 0.00 145 N 7.99 4.33 0.00 2.93 3.03 0.00 0.00 6.91 6.09 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 0.00 146 L 7.90 3.40 0.00 1.28 1.45 -0.38 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.43 3.36 1.54 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.57 0.00 0.00 148 I 7.00 3.64 2.04 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 1.73 0.92 0.92 0.00 0.00 149 K 8.16 4.11 0.00 1.81 1.90 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 1.88 7.81 150 L 8.20 4.00 0.00 1.74 1.84 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.93 4.20 0.00 2.14 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 2.51 2.54 0.00 152 E 8.07 4.28 0.00 2.16 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 2.36 2.50 0.00 153 G 7.06 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 0.00 154 K 8.32 4.26 0.00 1.84 1.85 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.68 7.81 155 L 8.41 4.18 0.00 1.24 0.94 -0.32 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.19 4.82 1.95 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 1.49 0.58 0.97 0.00 0.00 157 N 8.29 4.49 0.00 2.10 2.25 0.00 0.00 6.85 7.56 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 * Residues marked with a * may have inaccurate shift predictions.