NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6774 8.2649 122.4638 52.0348 20.3044 175.6419 3 R 4.5133 8.6196 118.2367 54.3041 32.7228 174.0855 4 I 5.1740 9.0038 123.0097 59.7284 41.2799 174.6424 5 R 4.7901 9.0320 124.6421 54.3176 34.1428 174.6883 6 V 4.8241 8.2214 120.4224 61.3996 34.3175 174.8909 7 V 4.5065 8.5185 119.5842 59.7470 36.6545 173.6632 8 Q 5.2364 8.8411 122.6055 52.5389 30.9652 175.7698 9 G 3.9370 8.2498 112.2442 46.0288 0.0000 170.3186 10 D 4.6044 8.1120 120.6494 52.7245 41.1754 177.6826 11 I 2.5833 8.2117 128.3998 63.5683 38.1000 177.6878 12 T 3.9912 7.9467 108.9186 63.6260 68.7319 174.5420 13 E 4.4445 8.0174 120.5690 55.7981 29.9212 175.9788 14 F 4.3342 7.9209 122.3121 58.6747 39.7521 174.5223 15 Q 4.2315 7.4980 126.5925 54.9348 29.6830 174.6152 16 G 3.6511 7.1564 110.9788 46.5926 0.0000 171.9643 17 D 4.6801 8.6730 118.9951 57.3429 42.1323 176.5117 18 A 5.2829 8.2250 118.1598 51.0484 23.3623 175.1775 19 I 4.8526 8.4392 111.9117 59.0996 41.2509 174.4665 20 V 4.4044 8.1227 124.0728 61.3621 32.9280 174.3521 21 N 4.8069 8.7948 126.8173 51.8593 40.9568 173.8312 22 A 4.5856 8.7570 127.8166 51.8481 18.2330 176.3357 23 A 4.7863 8.8154 123.4435 51.2023 22.3576 175.5432 24 N 5.1925 8.3435 116.6499 51.4323 39.8683 175.5846 25 N 4.4868 8.1467 116.2356 54.7225 37.9306 176.0400 26 Y 4.4267 7.3547 116.1258 57.9593 38.4572 175.0839 27 L 3.5764 7.6076 118.7684 55.3783 39.8482 174.1127 28 K 4.2603 8.3182 119.8683 55.0018 32.5541 176.3386 29 L 4.4464 8.5162 127.4725 54.0514 42.3001 176.5717 30 G 3.8588 8.7041 112.6603 45.2681 0.0000 174.0667 31 A 4.1127 9.1310 121.4900 52.8966 19.9955 180.0918 32 G 3.8395 8.4619 106.1847 45.5054 0.0000 174.4642 33 V 3.5391 8.2861 116.1223 65.3623 31.4741 178.7452 34 A 4.2186 8.2373 120.6560 55.4259 18.0563 179.6459 35 G 3.4928 7.9639 103.9753 47.7792 0.0000 175.9095 36 A 4.0353 7.7637 122.6138 54.7367 18.5048 179.5364 37 I 3.5853 8.3301 118.7396 64.4936 37.2002 178.2660 38 L 3.9187 8.0916 121.2145 58.1091 41.6629 178.7753 39 R 3.8437 7.7552 117.2326 59.7286 30.1402 178.3593 40 K 4.2551 8.2943 117.1784 59.0142 32.4113 179.3704 41 G 3.7380 8.7562 106.6862 45.3214 0.0000 174.3759 42 G 4.2667 7.9989 107.3110 43.9065 0.0000 172.6940 43 P 4.3454 0.0000 0.0000 65.2814 30.9648 178.6244 44 S 4.1424 8.1270 114.1950 61.5018 62.6998 176.4109 45 I 3.6894 7.5743 123.1600 64.4042 36.8733 178.1995 46 Q 4.0033 8.0392 119.8097 58.9559 28.9180 177.8369 47 E 4.0969 8.3018 119.7655 59.5650 29.6031 179.1611 48 E 3.9923 8.3516 118.5902 59.6089 29.5176 179.1690 49 C 4.0758 8.1748 116.7176 62.8459 27.9337 175.9066 50 D 4.3499 8.1756 119.7512 57.6125 40.5500 178.6137 51 R 4.0642 7.8447 117.0065 59.4775 30.0827 178.9596 52 I 3.8904 7.5141 118.7538 62.5206 37.4100 177.3802 53 G 3.9763 7.8566 104.3720 43.9992 0.0000 172.7108 54 K 4.4389 8.3082 117.7888 57.4247 33.1368 176.2961 55 I 4.7592 8.3467 115.0056 59.6950 41.0122 174.0907 56 R 4.6146 8.9729 120.3525 54.4163 32.2270 176.8576 57 V 3.6920 8.2498 122.3966 64.7404 32.2070 176.1521 58 G 3.9676 9.5603 115.3252 44.9957 0.0000 173.0178 59 E 4.6795 8.1048 119.0556 54.9741 32.2943 174.5559 60 A 5.2936 8.3023 120.3079 50.6747 22.5237 175.4229 61 A 4.7399 9.0710 120.7497 50.1145 22.9043 175.2274 62 V 4.8948 8.4091 120.2692 61.5053 33.8900 174.7041 63 T 4.8103 8.7441 116.4398 59.9641 72.9972 173.0317 64 G 4.2282 9.8937 110.1774 45.8436 0.0000 173.4803 65 A 4.8075 8.4450 119.3941 50.8369 20.3487 177.8266 66 G 3.9924 7.7097 109.5045 48.5659 0.0000 174.8113 67 N 4.6701 9.3860 122.3982 53.2262 38.2955 175.2033 68 L 4.2626 7.8751 119.4285 53.7005 42.3652 175.3932 69 P 4.2750 0.0000 0.0000 65.7989 31.3800 177.5238 70 V 4.3695 7.4218 109.1003 60.7462 32.3799 175.5282 71 R 4.1116 8.4366 120.8739 58.0723 30.8557 175.8544 72 Y 5.2017 7.7673 114.1748 56.0424 42.9777 174.6357 73 V 4.6671 8.7812 120.8604 61.3354 34.4928 174.3463 74 I 4.4359 8.6022 129.9095 60.1711 38.7109 174.9655 75 H 4.8989 9.6525 126.7601 54.9397 29.8156 174.8658 76 A 4.6821 8.6033 127.2396 50.1110 20.4688 176.1712 77 A 4.6019 8.9963 126.0907 52.8100 18.2579 177.8299 78 V 4.3460 8.7763 122.0208 63.2854 33.5623 175.4559 79 L 4.2469 7.2140 120.4913 56.4225 43.6170 172.9775 80 G 3.7671 8.4191 112.0940 44.6845 0.0000 175.8564 81 D 4.7367 6.0778 127.2499 55.9714 41.8802 176.1719 82 E 4.7610 7.7659 117.6075 53.4522 33.5524 173.2509 83 P 4.5537 0.0000 0.0000 62.1622 32.1917 176.1642 84 A 4.2541 8.5648 123.2617 52.1383 19.0091 177.4046 85 S 4.6253 8.5071 115.7390 56.1848 67.4795 175.7983 86 L 3.9543 8.4603 121.7368 57.8792 41.2109 179.7675 87 E 3.9678 8.0896 118.5421 59.5919 29.4733 179.2465 88 T 3.9628 7.9277 109.8114 64.4668 68.7367 177.0161 89 V 3.5437 7.9939 121.6608 65.7256 31.5322 177.8785 90 R 3.8511 8.2215 118.7455 59.4500 29.8815 178.6228 91 K 3.9357 8.0298 117.9302 59.4996 31.9923 179.2655 92 A 4.2262 8.1732 122.5378 54.8168 18.1697 179.8707 93 T 3.9868 8.2433 114.5608 66.7524 68.5144 176.7314 94 K 3.8992 8.2067 121.5799 59.7641 32.2014 178.9640 95 S 4.1301 8.4131 115.2928 61.4514 62.7376 176.5453 96 A 4.0144 8.4104 123.7824 55.1765 18.0961 179.7140 97 L 4.1133 8.4207 117.8227 57.8787 41.8052 179.2202 98 E 3.9256 8.5950 119.6912 59.3513 29.6680 179.1595 99 K 3.9461 8.1993 118.1975 59.2711 32.0951 179.1635 100 A 3.9736 8.1112 121.0917 55.1450 18.2283 179.8677 101 V 3.5301 8.0113 116.7750 66.3313 31.4448 178.1520 102 E 3.9470 7.8756 116.5618 58.9798 29.3484 178.4605 103 L 4.3307 7.6759 116.1737 53.8987 42.0370 176.8717 104 G 3.9474 8.1078 107.1873 46.3996 0.0000 174.4236 105 L 4.3391 7.8114 118.6097 54.4956 42.3381 177.2585 106 K 4.9223 9.8091 119.3970 56.6179 35.2322 176.1554 107 T 5.2320 8.1078 110.3351 60.1625 71.9375 173.1052 108 V 4.9336 9.0674 125.4368 61.0346 35.5743 173.4996 109 A 5.0345 8.4451 128.5509 50.1795 21.4033 175.6003 110 F 5.0468 9.3985 120.5496 55.1011 42.8982 173.4165 111 P 4.7789 0.0000 0.0000 61.3648 34.1196 176.1728 112 L 4.2517 7.8941 119.5080 52.9377 40.0415 175.5428 113 L 4.0893 8.0853 121.9437 56.4298 42.3069 178.2972 114 G 3.9860 9.0801 111.2232 45.6822 0.0000 174.4353 115 T 4.7083 7.0754 107.7614 61.2575 71.3472 175.3313 116 G 3.8911 8.0443 111.4752 45.8187 0.0000 175.9013 117 V 3.5773 9.3940 121.4801 65.8225 31.8090 176.4484 118 G 3.6227 8.1868 107.3515 46.6451 0.0000 174.0867 119 G 3.9227 8.0747 106.4149 46.1514 0.0000 173.6741 120 L 4.3966 8.1005 120.2127 52.7162 42.9032 174.6366 121 P 4.3914 0.0000 0.0000 62.5385 32.8447 177.2640 122 V 3.5473 8.4590 121.5027 66.3282 31.5954 177.9730 123 E 3.9152 8.1687 117.2610 59.5151 29.3703 179.1855 124 A 3.9983 7.8881 120.2103 55.0039 18.2896 179.7308 125 V 3.4679 7.7243 115.7010 65.9884 31.7098 177.6515 126 A 4.0817 8.0279 119.7470 55.1638 18.5197 179.2101 127 R 3.9986 7.7886 116.6488 59.5597 30.0136 179.6166 128 V 3.4563 7.4530 114.0863 63.9202 31.0999 177.2242 *130 L 4.1825 7.8741 119.2062 54.3849 43.5677 178.9843 131 E 3.9153 8.0546 117.2369 59.4829 29.6698 179.0098 132 E 4.0869 7.9040 118.6633 59.3727 29.5902 179.3595 133 I 3.5820 7.5302 119.3649 64.2494 37.0064 178.3014 134 K 4.0973 8.0465 117.8624 58.4986 31.8958 178.7407 135 K 4.1802 7.6516 117.4139 56.9501 32.3984 177.0992 136 A 4.2532 7.0573 121.8267 50.8588 19.2572 175.4963 137 P 4.4832 0.0000 0.0000 62.4658 31.9336 177.8999 138 D 4.5417 8.5400 120.5750 56.8118 40.9219 177.8960 139 T 4.0290 7.8746 108.3024 62.9842 69.3848 173.6854 140 L 4.6687 7.8742 125.9743 53.3253 44.3417 174.4015 141 E 5.0114 9.1474 127.6655 54.5844 31.8623 174.3526 142 V 4.8445 8.8978 128.0434 61.7713 33.7906 174.3501 143 T 4.9416 8.9291 125.2355 62.0149 70.6379 173.4403 144 L 5.0138 9.0318 127.6500 53.8605 43.5130 175.1913 145 Y 4.8967 9.1574 122.4082 56.2890 39.7936 175.3176 146 G 4.1288 8.7513 111.4562 44.8123 0.0000 174.1724 147 Y 4.9005 8.6294 121.3140 59.4762 38.8046 176.2985 148 R 4.8128 7.6141 118.3109 53.2728 35.1938 175.6232 149 E 3.9620 8.8005 121.9393 59.5930 29.6603 179.2033 150 E 3.9661 8.1864 116.9724 59.3970 29.5887 178.8138 151 D 4.3133 7.9667 119.3928 57.0986 41.0501 178.2748 152 A 3.9945 8.0242 121.3697 55.2169 18.4004 179.5850 153 E 3.9334 8.5116 117.1020 59.3650 29.2547 179.4348 154 A 4.0061 7.7016 120.2581 55.0914 18.6985 179.4559 155 I 3.7802 7.8511 118.3660 64.6188 37.3149 178.8613 156 R 3.9328 8.0118 118.9020 59.3497 29.6486 179.3460 157 R 3.9943 7.8545 116.5023 58.4735 30.1152 178.0350 158 A 4.3117 7.5975 118.6984 52.7558 19.0236 177.1623 159 L 4.0842 7.4659 121.8601 54.9228 41.6533 176.9208 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 2 A 8.26 4.68 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 3 R 8.62 4.51 0.00 1.79 1.85 0.00 3.08 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 4 I 9.00 5.17 1.85 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 1.30 0.57 0.91 0.00 0.00 5 R 9.03 4.79 0.00 1.73 1.77 0.00 3.37 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 6 V 8.22 4.82 2.03 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 0.80 0.00 0.00 0.89 0.00 0.00 7 V 8.52 4.51 1.84 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 0.51 0.00 0.00 -0.12 0.00 0.00 8 Q 8.84 5.24 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 9 G 8.25 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.11 4.60 0.00 2.77 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 11 I 8.21 2.58 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.10 0.81 0.00 0.00 12 T 7.95 3.99 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 1.15 0.00 0.00 13 E 8.02 4.44 0.00 2.19 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 0.00 2.56 2.40 0.00 14 F 7.92 4.33 0.00 2.88 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 15 Q 7.50 4.23 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 16 G 7.16 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 17 D 8.67 4.68 0.00 2.96 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 18 A 8.23 5.28 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 19 I 8.44 4.85 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.23 1.00 0.00 0.00 20 V 8.12 4.40 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 0.48 0.00 0.00 -0.42 0.00 0.00 21 N 8.79 4.81 0.00 2.75 2.48 0.00 0.00 6.76 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 22 A 8.76 4.59 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 23 A 8.82 4.79 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 24 N 8.34 5.19 0.00 2.53 2.92 0.00 0.00 5.69 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 25 N 8.15 4.49 0.00 2.81 2.92 0.00 0.00 7.37 7.62 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 26 Y 7.35 4.43 0.00 3.13 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 27 L 7.61 3.58 0.00 1.78 1.70 0.97 0.91 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 28 K 8.32 4.26 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 29 L 8.52 4.45 0.00 1.69 1.82 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.70 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 31 A 9.13 4.11 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 32 G 8.46 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.29 3.54 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 0.94 0.00 0.00 0.51 0.00 0.00 34 A 8.24 4.22 1.42 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 0.00 0.00 35 G 7.96 3.49 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 36 A 7.76 4.04 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 37 I 8.33 3.59 2.05 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 1.36 0.81 0.90 0.00 0.00 38 L 8.09 3.92 0.00 1.83 1.84 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.76 3.84 0.00 1.92 2.08 0.00 3.35 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 K 8.29 4.26 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 41 G 8.76 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 0.00 0.00 0.00 42 G 8.00 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 0.00 0.00 0.00 43 P 0.00 4.35 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 44 S 8.13 4.14 0.00 4.07 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 45 I 7.57 3.69 1.89 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 1.60 0.91 0.98 0.00 0.00 46 Q 8.04 4.00 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 47 E 8.30 4.10 0.00 2.26 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 2.33 2.50 0.00 48 E 8.35 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 2.34 2.70 0.00 49 C 8.17 4.08 0.00 3.25 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 50 D 8.18 4.35 0.00 2.79 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 51 R 7.84 4.06 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 52 I 7.51 3.89 2.02 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 1.45 0.60 0.90 0.00 0.00 53 G 7.86 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 0.00 0.00 0.00 54 K 8.31 4.44 0.00 1.87 1.94 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 I 8.35 4.76 2.01 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 1.35 0.69 0.90 0.00 0.00 56 R 8.97 4.61 0.00 1.78 1.85 0.00 3.30 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 57 V 8.25 3.69 2.19 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 0.74 0.00 0.00 0.84 0.00 0.00 58 G 9.56 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 0.00 0.00 0.00 59 E 8.10 4.68 0.00 2.02 1.88 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 2.25 2.33 0.00 60 A 8.30 5.29 1.18 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 0.00 0.00 61 A 9.07 4.74 1.19 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 0.00 0.00 0.00 62 V 8.41 4.89 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 0.69 0.00 0.00 0.83 0.00 0.00 63 T 8.74 4.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 64 G 9.89 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 0.00 0.00 0.00 0.00 65 A 8.45 4.81 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 66 G 7.71 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 67 N 9.39 4.67 0.00 2.87 2.84 0.00 0.00 6.97 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 68 L 7.88 4.26 0.00 1.67 1.59 0.91 1.12 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 69 P 0.00 4.27 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 70 V 7.42 4.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.04 0.00 0.00 71 R 8.44 4.11 0.00 1.55 1.82 0.00 2.89 0.00 0.00 2.95 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 72 Y 7.77 5.20 0.00 2.88 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 73 V 8.78 4.67 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 0.66 0.00 0.00 0.92 0.00 0.00 74 I 8.60 4.44 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.80 0.00 0.00 75 H 9.65 4.90 0.00 3.16 3.25 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 76 A 8.60 4.68 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 77 A 9.00 4.60 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 78 V 8.78 4.35 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 0.81 0.00 0.00 0.93 0.00 0.00 79 L 7.21 4.25 0.00 1.72 1.77 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.42 3.77 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 0.00 0.00 0.00 81 D 6.08 4.74 0.00 2.67 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 82 E 7.77 4.76 0.00 1.98 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 0.00 2.21 2.22 0.00 83 P 0.00 4.55 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 84 A 8.56 4.25 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 85 S 8.51 4.63 0.00 4.16 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 86 L 8.46 3.95 0.00 1.70 1.75 0.91 0.85 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 87 E 8.09 3.97 0.00 2.05 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 2.39 2.42 0.00 88 T 7.93 3.96 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 1.28 0.00 0.00 89 V 7.99 3.54 2.22 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 1.07 0.00 0.00 1.02 0.00 0.00 90 R 8.22 3.85 0.00 2.00 2.05 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 91 K 8.03 3.94 0.00 2.00 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 92 A 8.17 4.23 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 93 T 8.24 3.99 4.38 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 1.05 0.00 0.00 94 K 8.21 3.90 0.00 1.90 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 95 S 8.41 4.13 0.00 4.05 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 96 A 8.41 4.01 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 97 L 8.42 4.11 0.00 1.91 1.77 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.60 3.93 0.00 2.11 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 0.00 2.31 2.40 0.00 99 K 8.20 3.95 0.00 1.95 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.57 7.81 100 A 8.11 3.97 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 0.00 101 V 8.01 3.53 2.22 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 1.12 0.00 0.00 0.97 0.00 0.00 102 E 7.88 3.95 0.00 2.12 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 2.34 2.63 0.00 103 L 7.68 4.33 0.00 1.54 1.54 0.18 0.46 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 0.00 104 G 8.11 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.81 4.34 0.00 1.74 1.72 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 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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 0.00 115 T 7.08 4.71 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 1.26 0.00 0.00 116 G 8.04 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 0.00 0.00 0.00 117 V 9.39 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 118 G 8.19 3.62 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 0.00 0.00 0.00 119 G 8.07 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 0.00 120 L 8.10 4.40 0.00 1.74 1.58 0.95 1.00 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 0.00 121 P 0.00 4.39 0.00 2.25 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 122 V 8.46 3.55 2.07 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 132 E 7.90 4.09 0.00 1.84 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 2.45 2.62 0.00 133 I 7.53 3.58 1.72 0.00 0.00 0.50 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 0.59 0.77 0.00 0.00 134 K 8.05 4.10 0.00 1.72 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.59 7.81 135 K 7.65 4.18 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 136 A 7.06 4.25 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 0.00 137 P 0.00 4.48 0.00 2.20 1.98 0.00 3.61 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 2.12 2.11 0.00 138 D 8.54 4.54 0.00 2.67 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 0.00 139 T 7.87 4.03 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 1.22 0.00 0.00 140 L 7.87 4.67 0.00 1.84 1.76 1.06 0.65 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 0.00 141 E 9.15 5.01 0.00 2.11 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 2.29 2.40 0.00 142 V 8.90 4.84 2.03 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 0.86 0.00 0.00 0.92 0.00 0.00 143 T 8.93 4.94 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 0.00 0.00 0.00 0.00 1.15 0.00 0.00 144 L 9.03 5.01 0.00 1.50 1.55 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 9.16 4.90 0.00 2.87 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 0.00 146 G 8.75 4.13 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 0.00 0.00 0.00 147 Y 8.63 4.90 0.00 3.01 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 0.00 148 R 7.61 4.81 0.00 2.02 1.80 0.00 3.17 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 149 E 8.80 3.96 0.00 2.09 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 2.39 2.55 0.00 150 E 8.19 3.97 0.00 2.24 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 0.00 2.38 2.41 0.00 151 D 7.97 4.31 0.00 2.87 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 0.00 152 A 8.02 3.99 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 0.00 153 E 8.51 3.93 0.00 2.14 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 2.32 2.50 0.00 154 A 7.70 4.01 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 0.00 155 I 7.85 3.78 1.97 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 1.48 0.72 0.86 0.00 0.00 156 R 8.01 3.93 0.00 1.99 1.96 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 157 R 7.85 3.99 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 158 A 7.60 4.31 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 0.00 159 L 7.47 4.08 0.00 1.76 1.58 0.90 0.55 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 * Residues marked with a * may have inaccurate shift predictions.