NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 3.9870 8.1693 122.4781 54.9948 43.0711 176.7698 -3 Y 4.1601 7.3540 123.6732 57.7617 38.6656 174.6764 -2 F 4.4851 8.7278 124.6216 57.5373 41.1771 175.3556 -1 Q 4.4968 7.5332 126.2573 53.6401 32.3528 173.5144 0 G 3.3457 8.9200 113.4192 47.3293 0.0000 174.9582 -2 T 4.2151 8.5778 117.9216 61.6373 71.3771 174.2556 -1 T 4.5068 7.3632 120.0573 59.7401 72.7528 172.2144 0 S 3.8557 8.9000 120.3192 60.5294 62.1679 174.6582 5 K 4.4964 9.0023 121.2650 54.7515 34.5546 174.7130 6 V 4.8889 8.4973 127.4142 61.6392 33.5213 174.8034 7 T 4.6771 9.0252 123.8822 61.7472 71.6525 172.5006 8 Y 4.5222 8.8033 128.0837 57.4522 39.1548 174.8900 9 Q 4.1155 8.6258 125.7028 55.2367 29.4791 176.8347 10 G 3.6593 5.6166 103.6903 45.7959 0.0000 172.8901 11 D 4.1742 9.0703 114.2127 55.1451 38.3383 174.6493 12 L 4.1285 7.9878 115.0829 55.8814 39.9477 173.7247 13 R 5.0676 7.6354 118.6436 54.8261 32.4812 174.8522 14 T 5.2077 8.8601 114.9105 59.9347 72.7986 172.4979 15 S 5.0739 9.1113 116.9539 56.5132 65.7290 172.3463 16 A 5.1775 9.3674 128.8008 50.1787 21.9217 174.5303 17 I 4.7913 8.4907 123.3839 59.7110 40.1665 174.3706 18 H 4.7749 9.0636 130.2533 55.7937 30.1789 175.8387 19 L 3.8138 9.0275 128.8140 58.6754 41.0842 175.6887 20 Q 4.2379 7.9034 116.9856 57.7108 28.1845 180.2986 21 S 4.3570 8.0814 111.4764 58.2989 63.8099 174.2476 22 N 4.3043 8.6236 117.7001 54.1400 37.8205 173.0602 23 N 4.7736 7.9202 114.8850 52.5195 40.6529 173.2033 24 E 5.3145 8.6436 123.9609 54.4680 32.5163 174.9802 25 I 4.7015 8.8804 126.5301 59.5641 41.0740 174.3749 26 I 5.1121 8.4876 126.1598 59.7363 39.8818 174.9630 27 T 5.6262 8.7735 114.7819 59.1930 72.4409 172.4974 28 D 5.3434 8.4669 120.9999 52.4365 45.7680 174.8664 29 A 4.4901 8.4271 123.6251 51.0444 19.9307 175.8882 30 P 4.6314 0.0000 0.0000 62.1918 32.5028 178.0979 31 V 3.7683 8.4684 121.8667 66.4532 31.7586 178.3486 32 D 4.4921 8.2781 118.2015 55.7662 39.9875 180.7360 33 N 5.0437 7.3626 113.7569 52.1506 37.0567 174.2813 34 Q 3.5377 8.2793 110.9437 57.4603 27.4129 174.8170 35 G 4.3534 7.6583 106.8879 43.6310 0.0000 174.8763 36 K 3.9946 8.0238 117.9589 57.2465 32.0818 178.3516 37 G 4.1193 8.1255 105.2664 46.1504 0.0000 173.2383 38 E 4.5789 7.9748 115.2452 54.9446 29.9389 174.9516 39 A 4.4905 7.4884 117.8712 52.0297 22.5673 177.0475 40 F 4.2293 8.9110 117.9620 58.2603 40.0578 175.8658 41 S 5.3064 9.0477 117.4138 56.8947 64.3761 173.4966 42 P 4.2610 0.0000 0.0000 66.1663 30.9692 179.1393 43 T 3.9699 7.9062 107.9888 64.7294 68.6992 176.1489 44 D 4.4070 8.2659 121.8524 57.1904 40.8158 178.4969 45 L 3.8004 8.2899 120.9506 57.9348 41.8307 178.7739 46 L 3.8795 7.9569 120.0193 58.0880 41.6263 178.7034 47 A 4.0196 8.2234 120.8662 55.6950 18.2615 179.7933 48 T 3.9509 8.3434 114.7754 66.6747 68.3993 177.0155 49 S 4.0476 8.2864 116.4458 61.2175 62.5873 176.4310 50 L 3.8551 7.4263 122.6726 57.9504 41.9662 178.5144 51 A 4.0924 7.3482 117.9971 55.2940 18.6340 179.4075 52 S 4.2267 8.3386 114.0089 61.7135 62.7689 176.9645 53 C 4.0139 8.0801 117.9258 60.3127 30.9045 174.9353 *55 L 4.1449 7.8831 121.0515 54.6948 43.5739 179.4512 56 T 3.8032 7.9956 115.2145 66.7255 68.5007 176.7507 57 I 3.7342 7.9330 120.6407 63.9559 37.8878 177.9649 58 I 3.7200 7.7290 120.5984 64.1646 36.8926 178.2996 59 G 3.5514 8.2322 106.9092 47.8433 0.0000 175.7753 60 I 3.7138 7.7297 122.0735 64.0471 36.9149 178.5064 61 K 4.0337 7.7837 118.6247 59.5140 32.4143 178.4795 62 A 4.3629 8.8051 121.5821 55.0279 18.0008 179.6974 63 R 3.9113 8.0348 116.7940 59.5392 30.2682 179.6608 64 D 4.5261 7.7885 115.4352 54.4188 41.2287 176.6108 *66 E 4.1682 8.1218 116.3280 56.6940 30.8349 176.3377 67 I 4.3707 8.2867 119.8973 59.3546 39.1022 175.5130 68 D 4.5695 8.8027 126.2402 53.9267 41.4814 175.4939 69 I 4.9258 8.5143 118.4467 59.5624 38.1009 174.9974 70 A 4.1298 8.3239 124.1822 54.3780 18.4567 179.1093 71 G 3.9836 8.8266 110.0172 45.1729 0.0000 173.9874 72 T 4.2004 7.6401 117.3832 64.0365 69.6127 173.4375 73 T 4.8398 8.7335 114.3236 59.7923 72.7237 172.7785 74 A 5.0109 8.2918 123.4762 50.3845 21.7459 175.2409 75 E 4.3265 9.0757 123.1889 55.9079 31.0918 175.8452 76 V 4.7590 8.3927 124.5732 61.4266 33.7096 174.7668 77 T 4.8172 9.1238 124.5727 61.4800 71.9065 173.0303 78 K 4.9371 8.6942 124.3147 55.2430 35.6489 175.1740 79 V 4.4717 8.3592 121.4526 60.9954 35.3382 173.7171 *81 A 4.4642 8.3333 120.9111 52.0076 20.1297 175.8367 82 A 4.7655 8.4217 121.1662 50.6871 22.0632 176.5191 83 D 4.3443 8.3847 117.1223 54.8905 37.7524 172.0411 84 P 4.6093 0.0000 0.0000 61.1806 33.3349 176.7620 85 R 4.2765 8.3757 120.3723 57.3651 30.2001 175.5768 86 R 4.5232 8.0752 120.7256 55.3064 32.8382 174.3546 87 V 4.0205 8.4640 120.6457 63.0598 31.7783 175.4592 88 S 4.7721 9.3583 122.1927 59.1914 65.7018 173.8442 89 E 5.2868 7.9623 117.7320 54.5283 34.4048 174.6981 90 V 4.6183 8.8073 122.3456 61.6097 34.7403 173.7151 91 H 5.2491 9.2968 126.0443 54.2707 31.0906 174.0547 92 I 4.9118 8.9837 124.1275 59.5371 40.2156 174.5434 93 A 4.8989 8.9206 130.7500 50.5514 20.5272 175.4154 94 I 4.5589 8.9203 124.2886 60.6706 39.4255 175.3167 95 T 4.9603 8.5586 124.1371 60.7407 70.7637 173.9912 96 F 4.5263 9.1761 125.3440 56.0955 39.9911 175.7984 97 N 4.4267 9.2106 124.0059 55.7878 37.3048 175.2129 98 Q 4.9063 7.9628 116.9772 52.7985 31.9928 177.4616 99 E 4.3584 8.5578 112.0548 56.9562 30.3482 174.6543 100 L 4.7603 8.1420 122.9476 51.4608 45.0254 176.9106 101 D 4.6012 8.2501 122.6223 52.7652 41.7508 177.1714 102 D 4.2875 8.4840 119.6184 57.4166 40.7314 178.9839 103 K 3.8205 7.9145 119.3657 59.8973 32.2261 178.7944 104 T 3.3993 8.0255 115.7575 66.4690 68.2749 176.5781 105 Q 3.8853 7.7426 119.9396 58.9715 28.6731 179.1602 106 K 4.0006 8.0084 120.3511 59.4326 32.2178 178.8241 107 I 3.7089 7.7794 120.1059 64.6260 37.1066 178.4632 108 F 4.6648 8.4587 118.9104 60.6746 38.8299 177.0900 109 Y 4.1315 8.8208 119.5168 60.9821 38.4730 178.0029 110 N 4.3635 8.4508 116.1428 56.6236 38.8224 177.2735 111 T 4.0165 8.5556 117.3254 66.4425 68.4104 176.2846 112 A 3.9554 8.0336 122.6552 55.4662 18.2174 179.7984 113 L 3.9638 7.4504 115.0338 57.0251 41.6723 178.7067 114 T 4.3885 7.2530 108.1353 60.7395 69.7803 174.7270 115 C 4.3877 7.1643 117.6231 57.4183 30.5732 172.7128 116 P 4.2250 0.0000 0.0000 66.1306 31.1539 178.8541 117 V 3.6982 7.7619 116.0882 65.7649 31.2784 177.6336 118 A 4.1332 7.9663 119.4076 54.8092 18.2915 178.6042 119 K 4.3472 7.6486 113.4055 56.6916 32.4532 177.4821 120 S 4.6211 7.9531 114.5800 57.9746 64.5899 174.1967 121 I 4.2317 7.3836 113.5804 59.0252 39.3258 174.7870 122 H 4.1103 8.5624 120.4771 55.7121 29.8967 174.1903 123 P 4.3335 0.0000 0.0000 65.7365 31.2930 177.2096 124 D 4.5686 8.2887 115.9267 55.9191 41.0427 176.2985 125 I 4.1713 7.7176 121.6221 61.0389 37.8079 175.6901 126 F 4.6548 9.2219 130.4451 58.2251 40.0630 174.6205 127 Q 4.5434 8.8480 127.0980 54.7510 28.9277 175.2918 128 K 3.9175 8.3842 127.2011 54.6954 33.3234 174.9049 129 V 4.9973 8.3528 128.1822 61.0344 33.3480 174.7180 130 I 4.7298 8.6402 121.0006 59.1607 40.7372 174.1886 131 I 4.8457 8.4933 125.6438 60.1295 38.8141 175.3147 132 H 4.7451 9.5138 124.2694 55.8986 29.0134 174.6205 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -4 L 8.17 3.99 0.00 1.48 1.55 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.35 4.16 0.00 3.23 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 -2 F 8.73 4.49 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 7.53 4.50 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 0 G 8.92 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 0.00 0.00 0.00 -2 T 8.58 4.22 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 -1 T 7.36 4.51 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 0 S 8.90 3.86 0.00 3.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.00 4.50 0.00 1.84 1.66 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.39 7.81 6 V 8.50 4.89 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 0.90 0.00 0.00 0.94 0.00 0.00 7 T 9.03 4.68 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 1.22 0.00 0.00 8 Y 8.80 4.52 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.63 4.12 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.30 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 10 G 5.62 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 11 D 9.07 4.17 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 12 L 7.99 4.13 0.00 1.97 1.83 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.64 5.07 0.00 1.96 1.80 0.00 2.96 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 14 T 8.86 5.21 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 1.38 0.00 0.00 15 S 9.11 5.07 0.00 3.98 3.69 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 16 A 9.37 5.18 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 17 I 8.49 4.79 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 1.11 0.94 0.91 0.00 0.00 18 H 9.06 4.77 0.00 3.19 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.03 3.81 0.00 1.70 1.58 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.90 4.24 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 21 S 8.08 4.36 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 22 N 8.62 4.30 0.00 2.81 2.96 0.00 0.00 7.13 7.82 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 23 N 7.92 4.77 0.00 2.92 2.64 0.00 0.00 6.64 7.63 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 24 E 8.64 5.31 0.00 1.97 1.77 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 2.17 2.29 0.00 25 I 8.88 4.70 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 0.81 0.00 0.00 26 I 8.49 5.11 1.91 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 1.42 0.87 0.99 0.00 0.00 27 T 8.77 5.63 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 1.23 0.00 0.00 28 D 8.47 5.34 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.43 4.49 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 30 P 0.00 4.63 0.00 2.19 1.98 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 31 V 8.47 3.77 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 0.95 0.00 0.00 0.98 0.00 0.00 32 D 8.28 4.49 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.36 5.04 0.00 2.77 2.83 0.00 0.00 6.05 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 34 Q 8.28 3.54 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 35 G 7.66 4.35 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 0.00 36 K 8.02 3.99 0.00 1.96 1.88 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 37 G 8.13 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 0.00 0.00 0.00 38 E 7.97 4.58 0.00 2.06 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 2.31 2.22 0.00 39 A 7.49 4.49 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 40 F 8.91 4.23 0.00 2.96 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 41 S 9.05 5.31 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.26 0.00 2.20 2.17 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 43 T 7.91 3.97 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 44 D 8.27 4.41 0.00 3.19 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 45 L 8.29 3.80 0.00 1.92 1.81 0.42 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.96 3.88 0.00 1.82 1.84 0.92 1.19 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 47 A 8.22 4.02 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 48 T 8.34 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 49 S 8.29 4.05 0.00 3.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.43 3.86 0.00 1.61 1.91 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.35 4.09 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 52 S 8.34 4.23 0.00 3.94 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 53 C 8.08 4.01 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 *55 L 7.88 4.14 0.00 1.70 1.65 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.00 3.80 4.35 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 1.18 0.00 0.00 57 I 7.93 3.73 1.85 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 1.53 1.35 0.92 0.00 0.00 58 I 7.73 3.72 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.18 0.00 0.00 59 G 8.23 3.55 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 60 I 7.73 3.71 2.04 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 1.41 1.06 0.93 0.00 0.00 61 K 7.78 4.03 0.00 2.00 2.19 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.65 7.81 62 A 8.81 4.36 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 63 R 8.03 3.91 0.00 1.93 2.16 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 64 D 7.79 4.53 0.00 2.91 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 *66 E 8.12 4.17 0.00 2.00 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 0.00 2.23 2.36 0.00 67 I 8.29 4.37 2.05 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 1.22 0.65 1.03 0.00 0.00 68 D 8.80 4.57 0.00 2.67 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 69 I 8.51 4.93 2.04 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 1.30 1.57 1.07 0.00 0.00 70 A 8.32 4.13 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 71 G 8.83 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 72 T 7.64 4.20 4.09 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 0.00 0.00 0.00 0.55 0.00 0.00 73 T 8.73 4.84 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 1.24 0.00 0.00 74 A 8.29 5.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.08 4.33 0.00 1.93 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 2.28 2.24 0.00 76 V 8.39 4.76 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 0.81 0.00 0.00 0.93 0.00 0.00 77 T 9.12 4.82 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 1.17 0.00 0.00 78 K 8.69 4.94 0.00 1.70 1.74 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.38 7.81 79 V 8.36 4.47 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 1.05 0.00 0.00 0.87 0.00 0.00 *81 A 8.33 4.46 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 82 A 8.42 4.77 1.23 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 83 D 8.38 4.34 0.00 2.80 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 84 P 0.00 4.61 0.00 2.17 2.04 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 85 R 8.38 4.28 0.00 1.84 1.90 0.00 3.27 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 86 R 8.08 4.52 0.00 1.76 1.83 0.00 3.06 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 87 V 8.46 4.02 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 0.82 0.00 0.00 0.94 0.00 0.00 88 S 9.36 4.77 0.00 3.92 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 89 E 7.96 5.29 0.00 1.88 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 2.51 2.40 0.00 90 V 8.81 4.62 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 0.95 0.00 0.00 0.92 0.00 0.00 91 H 9.30 5.25 0.00 3.01 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.98 4.91 1.83 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 1.12 0.90 0.86 0.00 0.00 93 A 8.92 4.90 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 94 I 8.92 4.56 1.82 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 1.11 0.90 0.32 0.00 0.00 95 T 8.56 4.96 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 96 F 9.18 4.53 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 97 N 9.21 4.43 0.00 2.91 3.18 0.00 0.00 6.05 7.04 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 98 Q 7.96 4.91 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.97 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 99 E 8.56 4.36 0.00 1.98 1.77 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 2.23 1.90 0.00 100 L 8.14 4.76 0.00 1.42 1.34 -0.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.25 4.60 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.48 4.29 0.00 2.66 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 0.00 103 K 7.91 3.82 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 104 T 8.03 3.40 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 0.13 0.00 0.00 105 Q 7.74 3.89 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 106 K 8.01 4.00 0.00 1.97 1.99 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.35 7.81 107 I 7.78 3.71 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.43 0.94 0.00 0.00 108 F 8.46 4.66 0.00 3.22 3.08 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 0.00 109 Y 8.82 4.13 0.00 3.21 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 0.00 110 N 8.45 4.36 0.00 2.84 2.92 0.00 0.00 7.17 8.33 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 0.00 111 T 8.56 4.02 4.35 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 1.25 0.00 0.00 112 A 8.03 3.96 1.36 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 0.00 0.00 0.00 113 L 7.45 3.96 0.00 1.51 1.65 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.25 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 1.28 0.00 0.00 115 C 7.16 4.39 0.00 3.05 3.07 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 0.00 116 P 0.00 4.23 0.00 2.02 2.16 0.00 3.66 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 2.02 2.15 0.00 117 V 7.76 3.70 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 1.03 0.00 0.00 0.91 0.00 0.00 118 A 7.97 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.65 4.35 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.61 7.81 120 S 7.95 4.62 0.00 3.92 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 0.00 121 I 7.38 4.23 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 1.44 0.59 0.98 0.00 0.00 122 H 8.56 4.11 0.00 3.20 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.33 0.00 2.09 2.12 0.00 3.46 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 1.98 2.09 0.00 124 D 8.29 4.57 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.72 4.17 2.06 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 1.27 0.51 0.95 0.00 0.00 126 F 9.22 4.65 0.00 3.05 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 0.00 127 Q 8.85 4.54 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 128 K 8.38 3.92 0.00 0.79 1.21 0.00 1.38 0.00 0.00 1.11 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.18 7.81 129 V 8.35 5.00 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 0.95 0.00 0.00 0.83 0.00 0.00 130 I 8.64 4.73 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.94 0.00 0.00 131 I 8.49 4.85 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 1.25 0.00 0.00 132 H 9.51 4.75 0.00 3.08 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.73 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.