NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4504 8.1749 117.3744 63.4705 70.0597 172.8498 2 S 4.6355 9.9574 122.7302 54.9724 66.1606 171.6242 3 I 5.3087 8.1429 117.8400 59.9612 41.0838 173.6709 4 M 4.8207 8.7479 119.0057 54.5190 34.8669 173.1764 5 A 5.1240 8.4931 121.0825 50.2694 22.1595 175.4823 6 V 4.5213 8.8613 122.6132 61.1534 34.6936 174.2686 7 T 5.0347 8.6885 118.3357 60.6967 70.2357 173.9824 8 F 5.1654 8.8226 121.2635 54.9285 40.8385 174.5725 9 K 3.7873 9.2167 120.4387 60.3909 31.7267 178.2127 10 D 4.5625 7.4514 114.3092 54.1987 42.6030 175.8051 11 G 4.3350 5.3800 111.8283 44.6735 0.0000 176.0680 12 V 5.3022 8.0708 120.4149 60.4976 34.1792 172.2851 13 I 4.7043 9.0587 122.2736 59.6028 41.1785 174.2235 14 L 5.0995 8.5721 125.4409 53.0133 43.9709 176.0359 15 G 4.3437 8.9645 109.4858 44.8724 0.0000 171.0642 16 A 5.6993 8.4362 120.5706 51.9992 22.1910 176.1232 17 D 4.8223 8.4674 119.3799 52.1602 42.5124 176.2863 18 S 4.8821 8.3628 112.1479 58.5775 64.3407 172.8850 19 R 5.2274 8.7448 121.0261 55.6175 32.0971 174.9942 20 T 4.8727 8.8624 116.2262 60.0663 71.7996 172.9399 21 T 5.0819 8.5096 113.7658 60.2021 72.5000 173.8253 22 T 4.4305 8.9653 114.3345 61.0472 69.8739 173.9842 23 G 4.0695 8.5187 119.6373 46.2818 0.0000 172.6024 24 A 4.4643 8.5472 126.8279 51.8838 19.7209 176.0720 25 Y 4.3770 7.5619 117.8701 56.5305 39.5296 174.7628 26 I 4.1418 7.4812 128.1528 60.0054 36.4763 175.4146 27 A 4.1116 8.1780 129.6374 54.4596 18.6439 177.6644 28 N 4.9218 7.8951 112.5280 52.2003 42.0221 174.5417 29 R 4.8028 8.6355 119.8907 56.0960 30.1533 175.9511 30 V 4.6085 7.4979 111.2058 61.5893 32.3188 176.1119 31 T 4.0457 8.1754 116.3932 63.8141 69.3968 174.5795 32 D 4.8261 8.5873 124.0991 52.7630 42.2201 175.6495 33 K 4.3449 8.7074 124.5520 56.8549 33.5775 176.2814 34 L 4.9014 8.1537 121.5363 53.8720 42.5055 176.0164 35 T 4.6059 9.0014 121.7132 61.5846 71.4072 173.6427 36 R 3.4121 7.9046 125.9551 55.0333 30.4768 176.2848 37 V 4.1905 7.8966 118.3369 61.4581 33.3260 174.5256 38 H 4.5759 7.4832 117.8410 55.1704 32.5652 173.7437 39 D 4.5519 8.5372 122.2795 57.3244 40.6133 179.1311 40 K 5.0659 8.1168 117.1667 56.1679 34.0750 175.7146 41 I 5.1628 8.1862 120.9420 59.7591 40.9064 174.9220 42 W 5.4213 9.6794 126.8042 55.1088 33.7058 173.8237 43 C 5.2815 9.4777 114.3877 57.5689 33.1206 172.6216 44 C 5.1326 9.2096 118.3155 58.3225 30.0371 172.9698 45 R 4.9962 8.5197 123.5411 54.6910 31.0654 176.1521 46 S 4.5550 8.9186 117.7660 56.9553 66.5638 172.0847 47 G 4.2347 9.0875 106.4004 44.3631 0.0000 175.6300 48 S 4.2150 10.1048 121.8332 57.4721 62.8320 174.3031 49 A 3.9717 8.9308 129.9230 55.2985 18.2456 178.8178 50 A 3.9531 8.0659 118.6453 55.7374 18.3624 179.2126 51 D 4.2807 8.5577 117.7308 57.6971 40.9043 178.9102 52 T 3.9514 8.3630 110.3980 65.1608 68.5261 176.0340 53 Q 3.9996 8.5357 121.0516 58.6476 28.8145 178.8471 54 A 3.9865 7.9458 121.4513 55.2348 18.4403 179.5812 55 I 3.6100 8.2222 118.4205 64.4997 37.1961 178.3663 56 A 4.0049 8.7488 121.6778 55.4782 18.4095 179.0502 57 D 4.3685 8.3744 117.5681 58.0555 40.9746 179.6944 58 I 3.8013 7.8094 119.8964 64.1001 36.9655 178.7616 59 V 3.4003 7.5822 119.2124 65.9228 31.3295 177.5914 60 Q 4.0705 8.3001 119.7878 59.5070 28.8395 177.9657 61 Y 4.0186 7.9127 119.8598 61.1800 38.8252 177.8163 62 H 3.7955 8.3298 116.9386 58.8980 28.7290 177.8975 63 L 3.9880 8.2604 121.0516 57.5506 41.3121 179.1262 64 E 3.9300 8.1952 119.5422 58.9957 29.5228 178.5868 65 L 3.8708 7.6296 120.3763 57.7816 42.0387 178.0970 66 Y 4.0866 8.1871 119.7542 60.9782 38.5161 178.2871 67 T 4.6478 8.0510 117.0213 66.5167 68.7074 176.4260 68 S 4.1587 7.5503 115.2193 61.3619 62.8246 176.2591 69 Q 3.9161 7.2197 118.8306 57.1379 28.6371 176.3858 70 Y 4.4566 7.6274 116.2425 57.6057 39.3484 175.4089 *72 G 3.9251 7.6118 109.0206 45.2610 0.0000 172.2800 73 T 4.1985 8.6005 115.0733 63.7482 68.7284 172.2558 74 P 4.6963 0.0000 0.0000 61.6403 33.0162 176.4948 75 S 4.3984 8.1178 115.0433 58.4243 65.2314 175.5565 76 T 3.9298 8.3756 119.6669 66.6666 68.1811 176.5618 77 E 3.9565 8.0828 121.1139 59.4583 29.6248 178.8288 78 T 3.8136 7.8384 115.7852 66.1698 68.4593 176.5500 79 A 3.9127 7.9106 122.5537 55.3320 18.4640 179.5934 80 A 4.1381 8.1079 119.1395 55.2196 18.2867 179.8601 81 S 4.0093 7.9752 111.8005 61.5745 62.6190 176.5177 82 V 3.5085 7.9720 121.1151 65.9468 31.2111 177.8425 83 F 3.9964 8.2467 117.4713 60.5500 38.8389 177.5510 84 K 4.0232 8.3895 119.1784 59.4503 32.1111 178.2254 85 E 4.0134 8.4699 119.7702 59.3661 29.6397 178.9523 86 L 4.0043 7.8229 118.2607 58.1828 41.5523 179.3155 87 C 4.2369 8.0900 115.2570 62.7995 28.2297 175.3858 88 Y 4.2488 8.6518 121.4867 60.6998 38.3604 177.2184 89 E 3.9278 8.1160 118.2963 58.1145 28.6892 176.7638 90 N 5.0171 7.8796 116.2267 52.3474 39.2095 176.7561 91 K 4.2655 7.7478 120.7935 60.0974 32.9951 178.7730 92 D 4.2883 7.5319 119.4165 57.0309 40.8384 177.5471 *94 N 5.1177 7.8887 114.0047 52.6109 40.0231 173.6998 95 L 5.1204 7.5627 115.7930 53.5552 45.4376 177.0382 96 T 4.7298 8.5609 116.6673 61.5636 70.1145 171.5436 97 A 5.0251 8.2662 124.8262 50.1506 22.8135 175.3757 98 G 4.1489 9.4263 109.9474 43.5785 0.0000 171.9966 99 I 4.8404 8.4029 126.2453 59.3264 40.4118 175.1374 100 I 4.3303 8.2498 126.8262 59.5914 39.3804 174.5678 101 V 4.7016 8.3133 127.0987 61.1455 33.2345 174.7994 102 A 4.7493 9.3094 129.2274 50.3899 22.2102 175.1131 103 G 4.7893 8.7581 108.2379 43.9364 0.0000 170.9501 104 Y 4.6156 9.0566 121.6348 55.6274 40.7016 175.1150 105 D 4.3434 7.9774 125.1676 54.1999 41.4347 175.6040 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 1 T 8.17 4.45 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 2 S 9.96 4.64 0.00 3.71 3.72 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 3 I 8.14 5.31 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 1.40 0.54 0.92 0.00 0.00 4 M 8.75 4.82 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.49 5.12 1.21 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 0.00 0.00 0.00 6 V 8.86 4.52 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 1.12 0.00 0.00 0.93 0.00 0.00 7 T 8.69 5.03 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 1.24 0.00 0.00 8 F 8.82 5.17 0.00 3.27 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 9 K 9.22 3.79 0.00 1.79 2.03 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 10 D 7.45 4.56 0.00 2.55 2.57 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 0.00 0.00 0.00 0.00 11 G 5.38 4.34 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 0.00 12 V 8.07 5.30 2.17 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 0.78 0.00 0.00 1.05 0.00 0.00 13 I 9.06 4.70 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.81 0.00 0.00 14 L 8.57 5.10 0.00 1.41 1.57 0.91 0.97 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 15 G 8.96 4.34 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 0.00 16 A 8.44 5.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.82 0.00 2.68 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 18 S 8.36 4.88 0.00 4.06 4.03 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 19 R 8.74 5.23 0.00 1.77 1.97 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 20 T 8.86 4.87 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 21 T 8.51 5.08 4.42 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 1.19 0.00 0.00 22 T 8.97 4.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 G 8.52 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.55 4.46 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 25 Y 7.56 4.38 0.00 3.10 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 26 I 7.48 4.14 1.56 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 1.23 0.52 0.84 0.00 0.00 27 A 8.18 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.90 4.92 0.00 2.81 2.59 0.00 0.00 6.80 7.53 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 29 R 8.64 4.80 0.00 1.89 1.91 0.00 3.00 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 30 V 7.50 4.61 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 0.74 0.00 0.00 0.99 0.00 0.00 31 T 8.18 4.05 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 1.23 0.00 0.00 32 D 8.59 4.83 0.00 2.70 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 33 K 8.71 4.34 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.49 7.81 34 L 8.15 4.90 0.00 1.90 1.90 0.92 0.88 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 35 T 9.00 4.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 36 R 7.90 3.41 0.00 0.67 1.13 0.00 3.05 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 37 V 7.90 4.19 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 0.88 0.00 0.00 1.07 0.00 0.00 38 H 7.48 4.58 0.00 3.13 3.15 0.00 5.90 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 39 D 8.54 4.55 0.00 2.68 2.80 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 40 K 8.12 5.07 0.00 1.85 1.98 0.00 1.79 0.00 0.00 2.10 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.19 5.16 1.99 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 1.38 1.38 1.04 0.00 0.00 42 W 9.68 5.42 0.00 3.24 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 43 C 9.48 5.28 0.00 2.76 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 44 C 9.21 5.13 0.00 2.82 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 45 R 8.52 5.00 0.00 1.74 1.88 0.00 3.17 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 46 S 8.92 4.56 0.00 3.78 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 47 G 9.09 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 48 S 10.10 4.21 0.00 3.85 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 49 A 8.93 3.97 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 50 A 8.07 3.95 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 51 D 8.56 4.28 0.00 2.81 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 52 T 8.36 3.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 53 Q 8.54 4.00 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 54 A 7.95 3.99 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 55 I 8.22 3.61 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 1.06 0.00 0.00 56 A 8.75 4.00 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 57 D 8.37 4.37 0.00 2.92 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 58 I 7.81 3.80 1.99 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 1.34 1.04 0.98 0.00 0.00 59 V 7.58 3.40 1.65 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 0.63 0.00 0.00 -0.13 0.00 0.00 60 Q 8.30 4.07 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 61 Y 7.91 4.02 0.00 3.13 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 62 H 8.33 3.80 0.00 3.36 3.30 0.00 5.67 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 63 L 8.26 3.99 0.00 1.62 1.59 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.20 3.93 0.00 2.03 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 0.00 2.21 2.27 0.00 65 L 7.63 3.87 0.00 1.36 1.50 0.80 0.65 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 66 Y 8.19 4.09 0.00 3.30 3.15 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 0.00 0.00 0.00 0.00 67 T 8.05 4.65 4.46 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 1.27 0.00 0.00 68 S 7.55 4.16 0.00 3.82 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 69 Q 7.22 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.26 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 70 Y 7.63 4.46 0.00 2.26 2.59 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 *72 G 7.61 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 0.00 0.00 0.00 73 T 8.60 4.20 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 1.31 0.00 0.00 74 P 0.00 4.70 0.00 1.76 1.39 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 75 S 8.12 4.40 0.00 4.04 4.01 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 76 T 8.38 3.93 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 1.27 0.00 0.00 77 E 8.08 3.96 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 78 T 7.84 3.81 4.15 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 0.00 0.00 0.00 0.79 0.00 0.00 79 A 7.91 3.91 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 80 A 8.11 4.14 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 81 S 7.98 4.01 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.51 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 0.78 0.00 0.00 0.82 0.00 0.00 83 F 8.25 4.00 0.00 3.32 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 84 K 8.39 4.02 0.00 1.84 2.13 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.56 7.81 85 E 8.47 4.01 0.00 2.30 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 2.32 2.44 0.00 86 L 7.82 4.00 0.00 1.95 1.72 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.09 4.24 0.00 3.07 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 88 Y 8.65 4.25 0.00 2.95 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 89 E 8.12 3.93 0.00 2.40 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 2.37 2.40 0.00 90 N 7.88 5.02 0.00 2.97 2.74 0.00 0.00 6.62 7.06 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 91 K 7.75 4.27 0.00 1.87 2.20 0.00 1.18 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.34 1.32 7.81 92 D 7.53 4.29 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 N 7.89 5.12 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.56 5.12 0.00 1.63 1.54 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.56 4.73 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 97 A 8.27 5.03 1.22 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 98 G 9.43 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.40 4.84 1.57 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 1.33 0.96 0.33 0.00 0.00 100 I 8.25 4.33 1.84 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 1.08 0.61 0.89 0.00 0.00 101 V 8.31 4.70 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 0.90 0.00 0.00 0.54 0.00 0.00 102 A 9.31 4.75 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 0.00 103 G 8.76 4.79 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 0.00 0.00 0.00 104 Y 9.06 4.62 0.00 2.98 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 0.00 105 D 7.98 4.34 0.00 2.50 2.26 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 * Residues marked with a * may have inaccurate shift predictions.