NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3695 8.4293 121.4556 55.5913 31.5428 175.4980 8 Y 4.8213 6.7891 114.1551 54.7788 40.8728 173.0692 9 D 4.3884 9.7212 123.9617 56.7850 42.8246 177.7773 10 Y 4.8898 7.8438 114.0504 56.1143 42.7501 173.9381 11 L 5.0126 8.8693 124.5944 53.5470 44.1051 175.2130 12 F 5.3567 9.4595 125.7669 55.7274 41.6183 174.5765 13 K 4.9366 8.8197 125.7114 55.8334 33.6862 175.4151 14 V 4.9967 9.3593 127.1128 61.2736 34.8654 174.3977 15 V 4.8271 8.4488 120.2743 59.6072 34.6947 174.5375 16 L 5.0779 8.5948 124.4947 53.4852 42.7839 176.0494 17 I 4.2147 9.0294 117.1188 58.9588 41.3714 173.8869 18 G 3.6570 6.6694 107.0244 43.3663 0.0000 173.5020 19 D 4.8434 8.9540 120.9284 54.0208 41.6983 176.7989 20 S 4.2626 8.4990 115.6717 59.7744 62.0729 174.6021 21 G 4.0835 8.9117 115.0649 45.5840 0.0000 175.7693 22 V 3.7089 7.0382 110.9568 62.9961 31.7729 177.0345 23 G 4.2170 8.0213 105.1288 45.3550 0.0000 175.4353 24 K 3.8419 8.6129 121.0108 59.9477 31.9997 179.0300 25 S 4.4734 7.9353 115.1876 60.4805 62.7892 176.0477 26 N 4.5848 7.9864 120.1587 54.9419 38.5015 177.2662 27 L 4.1619 8.2709 120.9855 57.5104 41.6307 179.0522 28 L 3.9964 8.0837 120.6230 58.4163 41.7816 179.3596 29 S 4.1164 8.1522 114.0183 60.9980 62.9454 176.2104 30 R 4.0106 8.3492 122.9012 59.3232 29.6860 177.9797 31 F 4.0927 7.9523 119.3775 61.6566 39.4594 176.8590 32 T 3.7983 7.8120 107.3217 63.0067 69.0920 175.2717 33 R 4.3570 7.3388 116.4895 54.3721 32.1855 174.2388 34 N 4.3105 8.0664 115.3693 54.8938 37.7984 173.3970 35 E 4.8393 8.4018 114.7361 54.1573 32.9088 175.6721 36 F 4.8431 8.6038 122.8328 56.2616 42.4874 173.8487 37 N 4.6610 8.2807 124.6704 51.2607 40.5426 173.9156 38 L 3.9843 8.5721 128.4985 57.8972 42.3759 177.2238 39 E 4.4717 8.4347 116.6015 55.8350 29.4239 176.3526 40 S 4.1377 7.6980 114.3069 58.3504 63.5213 173.9314 41 K 4.4567 8.1604 122.5758 54.2888 33.8829 176.0248 42 S 4.0217 8.5123 114.4303 59.1902 62.5496 174.2487 43 T 4.0642 8.3435 123.5678 63.2543 68.5831 174.2191 44 I 4.0351 8.3407 128.3931 61.7616 38.4126 176.3574 45 G 3.9013 9.0892 113.9811 44.4375 0.0000 171.1698 46 V 4.9481 8.1998 120.0305 61.2700 34.7279 175.6923 47 E 4.9952 9.3698 124.6727 55.1172 33.7618 173.5347 48 F 5.2052 7.8421 112.9935 55.9636 40.8654 173.0935 49 A 4.6258 8.6873 119.6781 50.8321 22.7368 175.2816 50 T 5.5956 8.1416 108.4414 59.3500 72.2382 173.0987 51 R 4.5348 8.2197 120.8526 55.3344 33.6986 173.5062 52 S 5.2604 8.4640 120.7107 57.2917 64.7561 173.2568 53 I 4.7709 8.6754 116.1696 59.4998 41.7681 173.5825 54 Q 4.9611 8.5739 121.3521 54.4740 30.1486 175.7196 55 V 4.1692 8.2250 123.6120 61.7555 34.6753 173.9704 56 D 4.2834 8.4444 127.5530 55.7272 39.8993 176.3629 57 G 3.7601 8.7420 104.4822 46.8430 0.0000 173.3402 58 K 4.4584 7.8863 120.1634 55.8335 33.4806 175.2832 59 T 4.8256 9.3528 117.5317 60.9978 69.1559 173.4078 60 I 4.4908 8.7534 129.5525 59.2764 40.5857 174.4332 61 K 4.4277 9.0445 129.9536 55.5782 33.3966 175.3010 62 A 4.8474 8.9343 130.6350 51.1497 20.5022 175.5680 63 Q 4.7017 9.4922 125.6565 54.9123 30.9440 174.3930 64 I 5.1189 8.7342 129.0886 59.6043 39.4438 175.0430 65 W 5.2124 9.3134 128.0509 55.5204 30.7336 175.1741 66 D 5.4139 9.3031 122.3433 53.2299 44.4740 173.9385 67 T 4.9061 8.6836 116.9554 60.3415 70.6538 172.8041 68 A 3.9913 8.4582 126.7810 53.1728 19.1285 178.0943 69 G 3.8620 8.8173 104.0782 44.4171 0.0000 173.4601 70 L 4.9027 8.1742 113.4958 60.2402 42.3555 178.3228 71 E 3.7967 7.7025 116.8678 56.7197 27.3748 175.0677 72 R 3.8071 8.5778 119.5384 56.2242 30.1783 175.9489 73 Y 3.9329 8.6732 121.6210 58.3741 38.6221 175.7269 74 R 4.4608 7.6043 125.3974 53.7123 32.7081 177.4376 75 A 3.9265 8.3812 122.5965 55.4836 18.7913 179.9806 76 I 3.8398 7.6612 116.7909 64.5487 36.9496 178.4318 77 T 3.8211 7.4399 110.7478 64.8997 68.3479 176.4974 78 S 4.1996 7.9807 115.4426 61.0330 62.2875 175.7392 79 A 3.9940 7.8789 121.7864 54.6055 18.3257 178.5143 80 Y 3.6741 7.7597 117.8810 60.8540 39.2209 177.2601 81 Y 4.2940 7.7399 116.7992 58.2266 38.0868 175.5667 82 R 4.0549 6.9648 120.8648 57.8225 30.2508 176.7742 83 G 3.8530 8.9454 113.4126 45.1280 0.0000 173.1522 84 A 4.0951 7.5877 123.1690 53.0100 18.6946 177.7314 85 V 4.0988 8.6694 116.1965 61.8927 33.4063 176.0617 86 G 4.5533 7.8692 106.4094 44.5422 0.0000 171.4659 87 A 5.1825 8.8400 121.6340 50.2952 22.8755 175.4061 88 L 4.4337 8.9663 124.0309 53.3738 43.0197 176.2100 89 L 4.6138 8.4324 128.1160 54.1758 42.7365 175.1137 90 V 4.8937 8.9442 127.8399 61.5465 33.7322 174.1660 91 Y 5.1028 8.2989 124.0664 55.4599 42.4013 173.0068 92 D 5.2423 8.8845 119.7412 52.7147 42.4605 177.3804 93 I 3.9798 8.6312 119.7367 63.3801 38.0812 177.0415 94 A 4.6659 8.0816 122.7888 51.8956 18.3178 177.5115 95 K 4.4634 7.9574 118.5516 55.0665 34.5213 176.5487 96 H 4.1690 8.9382 124.9678 58.9922 29.7564 176.5661 97 L 4.0590 8.0335 122.1099 58.3621 41.7299 178.9397 98 T 4.3489 7.5987 110.3477 64.2923 68.8638 175.6357 99 Y 3.8899 7.8876 121.9808 60.1754 38.7077 176.7349 100 E 3.6210 8.1412 118.8935 59.6193 30.1101 178.8593 101 N 4.4799 8.3336 114.3123 54.3097 38.4171 177.1298 102 V 3.8606 7.4155 121.2708 66.2921 31.5474 177.5544 103 E 4.0609 8.0806 117.6430 59.5044 29.2757 179.4960 104 R 3.7900 7.7462 117.7619 58.9752 29.7253 179.0210 105 W 4.5196 7.9368 118.1973 59.9611 29.2442 178.3590 106 L 4.1846 8.4832 119.1361 57.7202 40.9890 179.4760 107 K 3.9351 8.1372 119.5975 59.5737 32.1434 178.4966 108 E 3.9900 8.2995 118.8476 59.4899 29.4010 179.1570 109 L 3.8590 7.5594 117.0631 56.6473 41.6221 179.5218 110 R 3.8199 7.5839 117.4161 59.4847 30.1546 178.4613 111 D 4.3765 8.1558 117.4795 56.8326 40.8094 177.1070 112 H 4.7430 7.9890 113.4970 55.3025 31.2162 173.7030 113 A 4.5942 7.1103 121.0754 49.8414 20.8486 176.0157 114 D 4.3902 8.3973 119.5584 54.0650 41.5455 177.4352 115 S 4.1199 8.7757 121.7591 60.8000 62.8159 174.4658 116 N 4.5790 8.4448 118.4796 53.5355 39.0317 174.6001 117 I 3.7891 7.7930 118.8893 61.8820 38.9969 175.3625 118 V 3.8911 8.4127 129.4875 62.8618 32.2992 175.1528 119 I 5.2792 8.0285 128.5911 58.4670 41.3167 173.4335 *121 L 4.6444 8.1826 123.0675 55.6035 43.6116 176.1050 122 V 4.4002 8.6740 125.5368 61.0135 34.8719 174.4037 123 G 3.2567 8.2602 116.6134 45.0716 0.0000 172.1389 124 N 5.0548 8.9105 125.8704 52.1138 41.8522 174.2183 125 K 4.0876 8.6882 117.4481 58.0390 28.5929 178.3867 126 S 4.3271 8.2910 114.3854 60.2792 63.4077 175.1599 127 D 4.4351 8.0126 121.0099 55.8514 39.4593 176.3870 128 L 4.5508 7.6370 122.0956 54.3899 41.4360 178.8284 129 R 4.0409 7.8638 116.2847 59.4420 30.3115 178.0231 130 H 4.2083 8.4489 115.0695 58.9561 28.6897 176.1953 131 L 4.2814 7.4729 114.6605 54.5647 41.4450 176.6519 132 R 3.7678 7.9875 119.2888 57.2304 29.7765 175.6344 133 A 4.5318 8.6315 127.2733 51.9841 20.2332 176.3051 134 V 4.2957 8.0863 116.1361 59.9963 33.5185 173.6036 135 P 4.5643 0.0000 0.0000 61.8915 32.6860 176.8759 136 T 4.2684 8.9859 121.5856 66.2990 68.4611 176.0655 137 D 4.2773 7.9504 120.1867 56.1444 39.5935 177.8547 138 E 3.8427 8.1179 120.0957 59.2232 29.6394 178.6972 139 A 4.3211 7.3607 121.4468 54.4987 18.3570 179.6175 140 R 3.1319 7.1848 116.9901 58.9513 30.0067 178.6479 141 A 3.9040 7.8195 120.5996 55.0792 18.4970 178.9969 142 F 3.8964 8.4457 119.2221 61.5614 39.3169 176.8587 143 A 4.0877 8.5885 120.3239 55.7544 18.0554 179.6162 144 E 3.9205 8.2832 116.6030 59.0414 29.2514 179.2683 145 K 3.7684 8.3243 119.5193 59.5152 32.2882 177.6582 146 N 4.5978 7.6486 112.8369 52.3533 38.6964 175.3166 147 G 3.8308 7.5922 108.4454 46.4999 0.0000 173.4386 148 L 4.8939 7.7978 118.9944 52.2459 43.5660 176.9023 149 S 4.3972 8.0834 117.1598 59.2696 63.1124 173.1832 150 F 5.6797 8.3252 124.4407 57.1856 42.4833 172.9682 151 I 3.9309 6.7454 121.9499 60.0805 41.2115 172.3936 152 E 4.9863 8.2083 125.9293 54.7096 32.6153 174.9678 153 T 4.8569 8.8566 112.4901 60.0640 73.4983 172.7630 154 S 4.6594 8.8772 115.3027 56.3918 64.4415 174.1446 155 A 4.1044 8.7792 131.7977 55.2732 18.5752 178.6535 156 L 2.4982 7.6584 116.4804 57.8848 42.1658 177.9053 157 D 4.3058 7.6012 116.4385 55.3329 41.1486 177.8892 158 S 4.1913 8.1970 114.2441 58.2923 61.9366 168.7383 159 T 3.7607 7.5734 117.3768 65.2059 68.3360 174.2917 160 N 4.4884 9.0462 122.7028 53.9377 36.8296 176.6218 161 V 3.6073 7.8484 118.9826 66.2962 31.6048 177.6927 162 E 4.3268 8.4335 117.6038 59.6849 29.3277 179.2388 163 A 4.0021 8.0743 120.0131 54.7672 18.5045 179.1710 164 A 3.7221 8.4801 119.7748 55.4977 18.4730 179.8138 165 F 3.7885 7.8364 115.4143 60.7067 38.8637 177.9147 166 Q 4.1200 8.4355 117.7957 59.2980 28.4032 179.2976 167 T 3.8329 7.8965 116.5795 66.7571 68.6275 176.7358 168 I 3.6335 7.7485 120.4630 64.1532 37.9491 177.9093 169 L 4.3363 8.1453 119.8908 57.9437 41.1930 179.6807 170 T 3.9884 7.6954 115.0381 66.7924 68.5440 176.2632 171 E 4.1340 8.2355 119.3090 59.3992 29.5208 179.2307 172 I 3.6579 8.0023 119.2170 64.4200 37.2859 176.0556 173 Y 4.6728 8.3787 123.5514 58.2253 38.7879 175.6274 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 7 E 8.43 4.37 0.00 1.92 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 2.52 2.42 0.00 8 Y 6.79 4.82 0.00 3.06 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 9 D 9.72 4.39 0.00 2.73 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 10 Y 7.84 4.89 0.00 2.35 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 11 L 8.87 5.01 0.00 1.81 1.73 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.46 5.36 0.00 2.99 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 13 K 8.82 4.94 0.00 1.94 1.69 0.00 1.26 0.00 0.00 1.62 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 14 V 9.36 5.00 2.25 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 1.11 0.00 0.00 1.06 0.00 0.00 15 V 8.45 4.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.93 0.00 0.00 16 L 8.59 5.08 0.00 1.74 1.63 1.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.03 4.21 1.34 0.00 0.00 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 1.19 0.82 1.11 0.00 0.00 18 G 6.67 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.95 4.84 0.00 2.97 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 20 S 8.50 4.26 0.00 3.90 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 21 G 8.91 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 22 V 7.04 3.71 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 0.80 0.00 0.00 0.94 0.00 0.00 23 G 8.02 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 0.00 0.00 0.00 0.00 24 K 8.61 3.84 0.00 1.80 2.07 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.51 7.81 25 S 7.94 4.47 0.00 3.83 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 26 N 7.99 4.58 0.00 2.91 3.04 0.00 0.00 7.63 6.74 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 27 L 8.27 4.16 0.00 1.99 1.96 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.08 4.00 0.00 1.87 1.88 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.15 4.12 0.00 4.09 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 30 R 8.35 4.01 0.00 2.25 2.10 0.00 3.19 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 31 F 7.95 4.09 0.00 2.56 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 32 T 7.81 3.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 33 R 7.34 4.36 0.00 1.89 1.89 0.00 3.52 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 34 N 8.07 4.31 0.00 2.77 2.82 0.00 0.00 6.92 7.81 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 35 E 8.40 4.84 0.00 1.91 1.80 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 2.22 2.19 0.00 36 F 8.60 4.84 0.00 2.89 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 37 N 8.28 4.66 0.00 2.47 2.41 0.00 0.00 7.10 7.39 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 38 L 8.57 3.98 0.00 1.82 1.74 1.14 1.06 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 39 E 8.43 4.47 0.00 2.02 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 2.28 2.36 0.00 40 S 7.70 4.14 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 4.46 0.00 1.74 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 42 S 8.51 4.02 0.00 3.83 3.81 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 43 T 8.34 4.06 4.33 0.00 0.00 0.00 0.00 0.00 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 44 I 8.34 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.91 0.00 0.00 45 G 9.09 3.90 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 0.00 0.00 0.00 46 V 8.20 4.95 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 1.52 0.00 0.00 1.02 0.00 0.00 47 E 9.37 5.00 0.00 1.89 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 2.19 2.23 0.00 48 F 7.84 5.21 0.00 2.29 1.45 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 49 A 8.69 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.14 5.60 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 1.29 0.00 0.00 51 R 8.22 4.53 0.00 1.45 1.30 0.00 2.67 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 52 S 8.46 5.26 0.00 3.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.68 4.77 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 1.11 0.00 0.00 54 Q 8.57 4.96 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 55 V 8.22 4.17 1.75 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 0.86 0.00 0.00 0.93 0.00 0.00 56 D 8.44 4.28 0.00 2.66 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 0.00 0.00 0.00 57 G 8.74 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 58 K 7.89 4.46 0.00 1.72 1.86 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 59 T 9.35 4.83 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 1.27 0.00 0.00 60 I 8.75 4.49 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.60 0.52 0.00 0.00 61 K 9.04 4.43 0.00 0.94 1.08 0.00 0.64 0.00 0.00 1.01 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.09 1.14 7.81 62 A 8.93 4.85 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 63 Q 9.49 4.70 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.71 0.00 0.00 0.00 0.00 0.00 1.92 2.27 0.00 64 I 8.73 5.12 1.96 0.00 0.00 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 1.45 1.35 1.12 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0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.46 0.00 1.69 1.64 0.00 3.16 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 75 A 8.38 3.93 1.26 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 0.00 0.00 0.00 76 I 7.66 3.84 1.77 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 1.67 0.77 0.76 0.00 0.00 77 T 7.44 3.82 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 0.93 0.00 0.00 78 S 7.98 4.20 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.88 3.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.76 3.67 0.00 2.91 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 81 Y 7.74 4.29 0.00 3.05 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 82 R 6.96 4.05 0.00 1.92 1.75 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 83 G 8.95 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 0.00 0.00 0.00 84 A 7.59 4.10 1.24 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 0.00 0.00 85 V 8.67 4.10 1.80 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 0.66 0.00 0.00 0.83 0.00 0.00 86 G 7.87 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.84 5.18 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 88 L 8.97 4.43 0.00 1.52 1.50 0.20 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.43 4.61 0.00 1.84 1.66 1.05 1.07 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 90 V 8.94 4.89 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 0.83 0.00 0.00 0.88 0.00 0.00 91 Y 8.30 5.10 0.00 3.17 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 92 D 8.88 5.24 0.00 2.84 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 93 I 8.63 3.98 1.95 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 1.22 0.92 0.92 0.00 0.00 94 A 8.08 4.67 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 95 K 7.96 4.46 0.00 1.95 1.80 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.71 7.81 96 H 8.94 4.17 0.00 3.23 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.03 4.06 0.00 1.84 1.71 0.93 0.80 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 98 T 7.60 4.35 4.43 0.00 0.00 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0.00 3.22 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 133 A 8.63 4.53 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 0.00 134 V 8.09 4.30 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 0.02 0.00 0.00 0.96 0.00 0.00 135 P 0.00 4.56 0.00 2.27 1.93 0.00 3.49 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 2.19 2.14 0.00 136 T 8.99 4.27 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 1.40 0.00 0.00 137 D 7.95 4.28 0.00 2.87 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 0.00 138 E 8.12 3.84 0.00 2.01 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 2.46 2.43 0.00 139 A 7.36 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.18 3.13 0.00 1.13 1.78 0.00 3.13 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 141 A 7.82 3.90 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 0.00 142 F 8.45 3.90 0.00 3.23 3.35 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 0.00 143 A 8.59 4.09 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.28 3.92 0.00 2.13 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 2.34 2.66 0.00 145 K 8.32 3.77 0.00 1.74 1.76 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.57 7.81 146 N 7.65 4.60 0.00 2.55 2.65 0.00 0.00 7.13 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 0.00 147 G 7.59 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 0.00 148 L 7.80 4.89 0.00 1.61 1.68 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.08 4.40 0.00 4.08 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 0.00 150 F 8.33 5.68 0.00 3.09 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 0.00 151 I 6.75 3.93 1.68 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 1.18 0.78 0.65 0.00 0.00 152 E 8.21 4.99 0.00 1.83 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 2.15 2.23 0.00 153 T 8.86 4.86 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 154 S 8.88 4.66 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.78 4.10 1.56 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 0.00 0.00 156 L 7.66 2.50 0.00 0.61 1.32 0.52 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.60 4.31 0.00 2.65 2.65 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 0.00 158 S 8.20 4.19 0.00 4.07 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 0.00 159 T 7.57 3.76 4.21 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 1.19 0.00 0.00 160 N 9.05 4.49 0.00 2.95 2.91 0.00 0.00 6.72 7.68 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 0.00 161 V 7.85 3.61 2.30 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 1.35 0.00 0.00 1.00 0.00 0.00 162 E 8.43 4.33 0.00 2.15 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 2.60 2.50 0.00 163 A 8.07 4.00 1.32 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 0.00 164 A 8.48 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.84 3.79 0.00 2.51 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 0.00 0.00 0.00 0.00 166 Q 8.44 4.12 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 167 T 7.90 3.83 4.31 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 1.21 0.00 0.00 168 I 7.75 3.63 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.85 0.00 0.00 169 L 8.15 4.34 0.00 1.88 1.92 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.70 3.99 4.41 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 1.28 0.00 0.00 171 E 8.24 4.13 0.00 2.04 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 2.36 2.53 0.00 172 I 8.00 3.66 1.84 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 1.34 0.43 -0.19 0.00 0.00 173 Y 8.38 4.67 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.