NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7057 8.4201 118.2150 52.3713 39.2426 175.7151 0 A 4.0561 8.9113 127.3660 53.1830 18.2202 176.0832 2 L 3.6426 7.8138 113.9667 52.0055 42.0271 173.0181 3 T 5.0103 8.9831 119.6661 61.6685 71.5076 172.9688 4 F 5.2999 9.3229 129.0163 56.7990 42.0772 173.3223 5 Y 4.9755 8.8179 125.6753 56.9170 39.6160 175.0408 6 E 4.9605 8.9979 121.2353 55.6292 33.8864 172.9592 7 Y 5.1070 8.2294 118.7344 55.8675 41.3192 173.0306 8 P 4.2199 0.0000 0.0000 65.2015 31.7926 177.4727 9 K 4.1847 6.8643 120.0803 54.2837 30.7289 175.7498 10 C 4.6654 7.6243 119.5195 54.3995 41.1973 173.0533 11 S 4.0719 8.6474 125.4386 61.4713 62.7908 176.3046 12 T 3.9422 7.8899 113.0623 64.7984 68.5738 177.1503 13 C 4.3719 8.1888 118.9268 59.7896 40.7106 175.9045 14 R 3.8232 7.9452 119.8800 59.3422 29.6538 178.7871 15 R 3.7898 7.8475 117.5549 59.1530 30.0606 178.9198 16 A 2.5928 7.3811 120.4465 54.5284 18.1841 179.6150 17 K 3.0482 8.1084 118.1897 59.1816 32.1817 178.8179 18 A 3.8736 7.8553 121.1240 55.0673 18.1823 179.2504 19 E 3.7199 7.9115 117.7427 59.3104 29.5860 178.8552 20 L 3.7259 7.6936 119.0368 57.9693 41.7143 179.3762 21 D 4.4308 8.1709 118.8244 57.4317 40.5452 178.3317 22 D 4.3047 7.9390 117.5729 57.2107 41.2855 177.9129 23 L 3.8938 7.8963 118.1588 54.7589 41.6903 176.7578 24 A 3.8456 7.5310 119.9161 52.7578 16.6409 177.3686 25 W 4.7590 7.7722 119.3384 57.9443 29.9231 176.4463 26 D 4.7926 8.7507 123.1194 54.5908 40.7674 175.2323 27 Y 5.1318 8.0957 120.0936 55.6879 41.6976 173.6264 28 D 4.8319 9.2004 120.7467 52.5559 43.1657 174.8707 29 A 5.1870 8.7053 128.5278 51.5725 19.9055 176.2794 30 I 4.5312 8.7187 123.2970 59.2159 41.2172 174.3729 31 D 5.0158 8.6855 126.2706 53.9607 41.7844 176.6791 32 I 3.8776 9.2670 128.0024 63.9038 38.6886 178.1746 33 K 3.9721 8.5524 122.4178 59.1636 32.4199 178.0204 34 K 4.2350 8.7103 117.4187 59.1259 32.6276 177.5039 35 N 5.1014 8.3319 114.8453 51.1130 39.3236 172.2779 36 P 4.5444 0.0000 0.0000 61.5146 32.6703 175.3251 37 P 4.3258 0.0000 0.0000 62.5771 31.7630 176.7215 38 A 4.0760 8.1936 121.1233 51.7973 20.2978 178.7209 39 A 3.7657 8.3803 124.0500 55.2510 18.5234 180.5875 40 S 3.9476 7.8538 112.2653 61.3477 63.0325 176.4495 41 L 3.5335 7.4391 123.3119 57.7847 41.8338 178.7399 42 I 2.7145 7.1469 119.8610 64.0222 36.9188 178.2813 43 R 3.6997 7.9581 119.8414 59.4071 29.8205 178.0098 44 N 4.2578 7.8675 116.7344 56.4334 38.9348 176.8946 45 W 4.4369 7.8102 120.2550 59.9371 28.9642 178.5084 46 L 3.7400 7.8055 117.9519 57.7434 41.0461 179.1607 47 E 4.1839 8.2718 117.8259 58.4492 29.5981 177.9461 48 N 4.9996 8.0580 113.5698 53.1261 40.4288 176.0058 49 S 4.2240 8.3276 114.8176 59.2951 63.4017 175.7258 50 G 3.9881 8.3432 107.5627 45.4343 0.0000 173.0827 51 L 4.5415 7.7846 119.9960 53.0476 43.0474 176.6889 52 E 4.2660 8.5730 120.3278 55.9441 30.6607 177.4324 53 L 4.2341 8.9287 122.4961 58.7524 42.0838 179.4730 54 K 4.2884 8.2689 118.5578 59.2249 31.9488 178.5838 55 K 4.0884 8.1407 117.9728 58.7194 32.1082 178.2167 56 F 4.3522 8.6645 116.9799 57.2409 39.2653 175.0736 57 F 5.0962 7.6407 117.7283 55.8849 40.8528 176.1586 58 N 4.6225 8.9003 124.3131 52.6120 37.0303 175.6588 59 T 2.5288 7.6388 112.1888 62.7700 69.4175 176.2705 60 S 4.4296 7.8702 115.0436 58.4350 63.7600 174.6962 61 G 4.0481 7.7412 109.0169 43.7690 0.0000 174.9157 62 Q 4.0788 8.4683 119.6431 58.9914 28.9071 179.3371 63 S 4.1675 8.1025 115.6565 61.8308 62.8737 176.0160 64 Y 4.0809 8.0810 121.6259 60.7322 38.6486 178.1780 65 R 3.9522 8.0552 118.9122 59.3293 30.0611 178.9587 66 A 4.0628 8.3858 119.5455 54.5785 18.4468 178.7527 67 L 4.3108 7.7419 114.8563 53.9329 42.4261 176.9229 68 G 3.8898 7.9098 107.5733 46.1238 0.0000 176.0616 69 L 3.6704 7.0201 121.4439 56.7494 41.9327 179.7159 70 K 3.8028 7.7720 119.0760 59.6575 31.9219 177.4013 71 D 4.5230 7.8289 116.5842 56.2095 41.1758 177.9618 72 K 4.4509 7.5076 117.2311 57.1024 33.0484 178.1331 73 L 3.8071 7.8571 121.5079 58.3240 41.7820 178.5484 74 H 4.3680 8.1861 112.5865 57.8306 28.5901 176.3698 75 Q 4.1647 7.5765 119.4316 55.6442 29.3676 175.7551 76 L 4.4180 7.2504 121.1195 53.9916 42.5728 177.6738 77 S 4.4572 9.0774 118.7586 57.9353 65.2241 175.6183 78 L 4.0490 8.3199 122.0081 57.7244 41.3509 179.1934 79 D 4.2818 8.0421 117.7042 57.3487 41.2212 178.0066 80 E 3.9398 8.2583 118.7602 59.4118 29.4084 179.2701 81 A 4.1374 8.4732 120.9570 55.1761 18.4377 179.5353 82 A 3.7910 8.4065 119.7819 55.1375 18.1700 179.3863 83 N 4.1647 7.9559 114.7107 56.5899 39.4519 176.5337 84 L 4.1078 8.0078 121.6399 58.3211 42.1252 178.8517 85 L 3.8575 8.1650 118.8643 57.8769 41.3402 179.5596 86 A 3.9827 7.9487 119.5863 54.6245 18.3387 179.2876 87 S 4.5392 7.6429 111.2794 59.6800 63.5141 174.1391 88 D 4.3089 7.6737 122.0322 53.1824 42.7689 176.4543 89 G 4.4680 8.3663 122.6581 44.7257 0.0000 173.1557 *91 L 4.4819 7.7543 118.4630 54.0692 44.8208 178.1202 92 I 4.5109 7.3068 119.5592 59.5249 38.1800 175.9685 93 K 4.1550 8.6062 128.7653 57.0810 32.5678 175.9958 94 R 4.8801 8.2557 121.5002 53.6566 32.9395 172.6821 95 P 4.6922 0.0000 0.0000 62.9047 33.2511 174.6034 96 L 5.2518 8.4744 119.1039 52.8035 45.3549 175.4458 97 L 5.2412 8.9456 125.0309 53.3072 44.8003 175.1467 98 V 4.7749 8.9806 125.7997 60.8821 35.1540 173.8815 99 K 4.5774 9.0295 128.7092 54.6921 34.6745 175.8807 100 E 3.7946 9.9399 128.8089 57.4946 27.0546 175.9967 101 G 4.1496 8.5296 105.3466 45.2839 0.0000 173.6308 102 K 4.6832 7.9820 120.4226 54.2729 33.6484 175.7449 103 I 3.5676 8.0073 124.2324 61.0529 38.2387 175.5038 104 V 4.4664 8.2916 119.9581 61.6278 34.3681 175.9263 105 Q 4.5511 7.7947 120.8284 54.9883 32.4527 172.8038 106 I 4.3647 8.4009 127.2783 60.7279 39.0838 177.4248 107 G 3.9143 9.1092 116.6588 45.4011 0.0000 172.1385 108 Y 4.8599 8.0363 114.5311 56.6137 38.6384 176.3989 109 R 4.0978 7.7483 119.3576 58.0386 31.3199 177.4568 110 T 4.4260 7.0357 105.5440 58.9789 72.0097 173.4181 111 A 3.8711 8.0164 125.6431 52.1435 19.1916 178.5961 112 Y 4.5392 8.8660 119.3346 61.0615 38.5976 178.3988 113 E 3.8263 8.6237 120.8528 59.1115 29.8189 178.5145 114 D 4.4625 7.7473 117.6524 57.0696 41.0035 177.8904 115 L 3.7782 7.9042 118.7680 55.6312 41.7682 176.2999 116 D 4.4356 7.7621 116.0977 55.2399 39.6525 173.4400 117 F 4.5776 7.6646 121.1334 57.7838 38.8858 175.9747 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 N 8.42 4.71 0.00 2.84 2.90 0.00 0.00 6.02 6.38 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 A 8.91 4.06 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 2 L 7.81 3.64 0.00 2.07 1.88 1.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.98 5.01 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 0.93 0.00 0.00 4 F 9.32 5.30 0.00 3.04 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 5 Y 8.82 4.98 0.00 2.88 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 6 E 9.00 4.96 0.00 1.92 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 2.12 2.27 0.00 7 Y 8.23 5.11 0.00 2.88 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 8 P 0.00 4.22 0.00 1.68 1.92 0.00 2.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 9 K 6.86 4.18 0.00 1.68 1.91 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 10 C 7.62 4.67 0.00 3.16 3.19 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 11 S 8.65 4.07 0.00 4.10 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 12 T 7.89 3.94 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 1.28 0.00 0.00 13 C 8.19 4.37 0.00 3.19 3.26 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 14 R 7.95 3.82 0.00 1.92 2.04 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 R 7.85 3.79 0.00 1.93 1.93 0.00 3.21 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 1.65 1.76 0.00 16 A 7.38 2.59 0.73 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 0.00 0.00 17 K 8.11 3.05 0.00 1.91 1.74 0.00 1.99 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.36 1.12 7.81 18 A 7.86 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 19 E 7.91 3.72 0.00 1.98 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 2.08 2.22 0.00 20 L 7.69 3.73 0.00 1.24 1.29 -0.45 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.17 4.43 0.00 2.80 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 22 D 7.94 4.30 0.00 2.67 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 23 L 7.90 3.89 0.00 1.07 0.64 -0.21 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.53 3.85 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 25 W 7.77 4.76 0.00 3.33 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 26 D 8.75 4.79 0.00 2.59 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 27 Y 8.10 5.13 0.00 3.00 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 28 D 9.20 4.83 0.00 2.79 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 29 A 8.71 5.19 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.53 1.21 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.47 0.99 0.00 0.00 31 D 8.69 5.02 0.00 2.80 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 32 I 9.27 3.88 2.02 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 1.09 1.17 0.92 0.00 0.00 33 K 8.55 3.97 0.00 1.64 2.17 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 K 8.71 4.23 0.00 1.85 1.91 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.65 7.81 35 N 8.33 5.10 0.00 2.73 2.78 0.00 0.00 7.05 8.68 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 36 P 0.00 4.54 0.00 2.12 2.16 0.00 3.81 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 P 0.00 4.33 0.00 1.74 1.89 0.00 3.56 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 38 A 8.19 4.08 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 39 A 8.38 3.77 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 40 S 7.85 3.95 0.00 3.96 4.05 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 41 L 7.44 3.53 0.00 1.52 1.44 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.15 2.71 1.68 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 0.99 0.14 0.68 0.00 0.00 43 R 7.96 3.70 0.00 1.82 2.01 0.00 3.07 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 44 N 7.87 4.26 0.00 2.91 2.81 0.00 0.00 7.24 8.01 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 45 W 7.81 4.44 0.00 3.44 3.21 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 46 L 7.81 3.74 0.00 1.59 1.60 0.82 0.17 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 47 E 8.27 4.18 0.00 1.95 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 2.46 2.47 0.00 48 N 8.06 5.00 0.00 2.89 2.89 0.00 0.00 7.07 7.72 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 49 S 8.33 4.22 0.00 4.14 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 0.00 50 G 8.34 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 51 L 7.78 4.54 0.00 1.88 1.58 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.57 4.27 0.00 2.23 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 2.42 2.39 0.00 53 L 8.93 4.23 0.00 1.91 1.87 1.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.27 4.29 0.00 1.94 1.88 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.60 7.81 55 K 8.14 4.09 0.00 1.86 1.64 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 56 F 8.66 4.35 0.00 3.22 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 57 F 7.64 5.10 0.00 3.20 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 58 N 8.90 4.62 0.00 2.84 2.81 0.00 0.00 7.00 7.26 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 59 T 7.64 2.53 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 0.80 0.00 0.00 60 S 7.87 4.43 0.00 3.99 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 61 G 7.74 4.05 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 0.00 0.00 0.00 62 Q 8.47 4.08 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 63 S 8.10 4.17 0.00 3.95 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 64 Y 8.08 4.08 0.00 3.22 3.14 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 0.00 0.00 0.00 0.00 65 R 8.06 3.95 0.00 2.02 2.01 0.00 3.49 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 66 A 8.39 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 4.31 0.00 1.62 1.64 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.91 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 69 L 7.02 3.67 0.00 0.27 1.01 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.77 3.80 0.00 1.72 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.56 7.81 71 D 7.83 4.52 0.00 2.79 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 72 K 7.51 4.45 0.00 1.63 1.73 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 73 L 7.86 3.81 0.00 1.84 1.61 -0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.19 4.37 0.00 3.35 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.58 4.16 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.12 1.84 0.00 76 L 7.25 4.42 0.00 1.66 1.61 0.92 0.86 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 77 S 9.08 4.46 0.00 4.02 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 78 L 8.32 4.05 0.00 1.79 1.72 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.04 4.28 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.94 0.00 2.32 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 2.32 2.32 0.00 81 A 8.47 4.14 1.50 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 0.00 0.00 82 A 8.41 3.79 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 83 N 7.96 4.16 0.00 2.76 3.04 0.00 0.00 7.19 7.30 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 84 L 8.01 4.11 0.00 2.01 1.96 0.97 0.70 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 85 L 8.17 3.86 0.00 1.68 1.52 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.95 3.98 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 87 S 7.64 4.54 0.00 4.06 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 88 D 7.67 4.31 0.00 2.54 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 89 G 8.37 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 0.00 0.00 0.00 0.00 *91 L 7.75 4.48 0.00 1.84 1.88 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.31 4.51 1.89 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 0.97 0.41 0.90 0.00 0.00 93 K 8.61 4.16 0.00 1.85 1.67 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 94 R 8.26 4.88 0.00 1.77 1.80 0.00 3.16 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 95 P 0.00 4.69 0.00 2.24 2.11 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 96 L 8.47 5.25 0.00 1.76 1.47 0.83 0.39 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 97 L 8.95 5.24 0.00 1.69 1.44 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.98 4.77 2.29 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 1.03 0.00 0.00 0.97 0.00 0.00 99 K 9.03 4.58 0.00 1.45 1.38 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.02 0.99 7.81 100 E 9.94 3.79 0.00 2.06 1.95 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 2.18 2.18 0.00 101 G 8.53 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 0.00 102 K 7.98 4.68 0.00 1.90 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.52 7.81 103 I 8.01 3.57 0.56 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.31 0.83 0.00 0.00 104 V 8.29 4.47 2.31 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 0.80 0.00 0.00 1.15 0.00 0.00 105 Q 7.79 4.55 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 106 I 8.40 4.36 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.41 0.76 0.00 0.00 107 G 9.11 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.04 4.86 0.00 2.75 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 0.00 109 R 7.75 4.10 0.00 1.76 1.89 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 110 T 7.04 4.43 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 1.12 0.00 0.00 111 A 8.02 3.87 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 0.00 112 Y 8.87 4.54 0.00 3.00 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 0.00 113 E 8.62 3.83 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 2.32 2.28 0.00 114 D 7.75 4.46 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.90 3.78 0.00 1.09 0.46 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.76 4.44 0.00 2.82 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 0.00 117 F 7.66 4.58 0.00 1.88 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.