NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8417 8.2833 118.1836 52.2474 38.8642 174.7378 2 L 4.0606 8.8742 119.9798 57.5351 41.5557 178.4608 3 L 3.9930 9.1037 121.8016 58.2673 42.3477 178.8528 4 Q 4.0922 8.4926 118.0772 58.7298 28.5571 178.1908 5 F 4.4848 8.3416 121.2674 61.6017 39.4694 176.5280 6 N 4.0820 8.4504 116.1547 56.2400 38.1501 177.0827 7 K 3.9335 7.6745 119.1994 59.8756 32.5757 178.1762 8 M 4.2614 8.3286 119.0060 58.6262 31.8538 178.7089 9 I 3.5889 7.8262 119.8368 64.3807 37.2447 178.3777 10 K 4.7535 7.9200 121.5501 58.8229 31.7342 178.3039 *12 E 4.3020 7.8761 116.5159 56.5475 31.3693 177.0113 13 E 4.0860 8.6457 117.2288 59.0431 29.5720 178.1931 14 T 4.1962 8.1749 107.0129 61.0299 69.9438 175.8565 15 G 3.8986 8.1784 110.1945 45.0546 0.0000 173.6738 16 K 4.2282 7.6443 119.1061 55.0095 32.2714 175.2762 17 N 5.0590 8.5824 117.2416 52.1265 39.9504 176.2168 18 A 4.1803 8.8380 125.5199 54.9385 18.5390 177.4800 19 I 4.6736 7.6124 115.0927 59.1751 39.0798 173.9783 20 P 4.7223 0.0000 0.0000 63.2736 32.2529 177.4908 21 F 4.0716 6.3725 116.9187 59.6715 38.7969 175.7175 22 Y 4.4501 8.6352 114.4214 57.2472 39.5397 176.0836 23 A 3.9959 7.7723 123.8888 53.7028 19.7538 177.5919 24 F 5.1418 7.4214 113.0574 56.2078 39.8466 172.9902 25 Y 4.9187 8.5280 122.9267 56.5751 42.3932 175.9493 26 G 3.3699 7.4835 115.2346 47.0463 0.0000 172.8692 27 C 4.5583 9.7724 115.7080 57.6943 39.5571 174.7096 28 Y 4.2284 8.6633 116.0820 58.0532 39.8795 174.6370 29 C 4.6865 8.4878 117.8823 59.6169 39.5396 172.7726 30 G 4.5599 8.8899 110.0838 43.1900 0.0000 170.9473 31 W 4.1601 8.6409 130.1632 58.5718 29.9214 176.4023 32 G 3.7024 8.9211 114.6349 45.0048 0.0000 170.5069 33 G 3.8212 7.4964 106.2762 45.0171 0.0000 172.1788 34 Q 4.5313 6.9657 115.4158 56.8653 31.0862 174.9662 35 G 4.2250 8.4418 104.8492 45.3253 0.0000 172.8836 36 K 4.8888 8.3505 121.5337 53.4178 35.3709 174.2193 37 P 4.5889 0.0000 0.0000 62.9607 31.8046 176.8466 38 K 3.8769 8.8153 122.8496 59.1031 32.4166 176.0910 39 D 4.5542 7.3285 115.7408 51.3916 41.6390 175.0305 40 G 4.2951 8.9040 106.2282 48.4427 0.0000 175.4411 41 T 4.3018 8.1615 117.9778 66.4705 68.5318 176.2250 42 D 4.6911 8.9321 119.7909 57.0550 41.0828 178.1832 43 R 4.0645 8.1192 119.6749 59.4392 29.9952 177.5835 44 C 4.2247 8.2418 116.3175 60.2594 38.5195 175.4933 45 C 4.4257 8.4434 117.6898 59.7003 34.1426 175.6549 46 F 3.7191 8.0453 122.2219 61.2654 38.9435 177.4503 47 V 3.2021 8.0143 117.9925 65.8281 31.1750 177.3973 48 H 3.9018 7.7777 117.8557 59.1728 29.6684 176.7951 49 D 4.1586 7.7855 120.5286 57.5903 40.4549 178.1531 50 C 3.9836 7.1531 114.7360 60.0866 38.9679 174.8613 51 C 4.1633 8.2638 120.2406 60.3686 44.2377 175.4740 52 Y 4.1115 8.4000 118.4182 60.9686 37.1761 178.8719 53 G 3.6273 8.3211 106.1670 47.4421 0.0000 175.1534 54 R 4.2004 7.7113 118.0555 56.6693 31.5282 176.8223 55 L 4.6009 7.4748 120.6981 52.7892 41.2349 176.7388 56 V 3.5300 7.5997 121.4036 65.0016 31.9070 178.2385 *59 N 5.1016 7.9328 114.8434 52.5493 38.6707 174.0566 *61 C 5.1285 7.6928 114.4235 57.8916 42.4382 173.1377 *67 N 4.9411 8.4306 118.1976 52.8528 38.9389 175.0283 68 T 3.3970 7.6192 109.9898 64.3163 69.2548 176.0491 69 K 4.4541 8.0915 120.3192 57.2487 33.0052 178.0948 70 S 4.5955 7.8457 111.1224 58.5428 64.3783 173.9288 71 D 4.3496 8.1404 121.9001 54.2864 41.1813 175.3390 72 I 4.1427 8.2699 127.9974 60.5071 38.0720 174.5428 73 Y 4.8830 8.3356 122.8812 55.0464 40.8506 174.2383 74 S 5.0454 8.5606 114.3409 57.1706 64.1012 172.2251 75 Y 5.3721 8.4653 123.5294 56.8251 40.8144 173.1237 76 S 4.2510 9.2913 114.0012 57.7955 67.0659 173.9345 77 L 4.9202 8.4154 121.2709 53.4030 41.2559 175.6014 78 K 4.1070 9.1806 125.6322 55.3780 32.2141 176.3131 79 E 3.9012 9.2927 129.9635 57.7288 27.3358 174.2136 80 G 4.0416 8.2483 100.8572 46.5169 0.0000 171.7415 81 Y 4.6347 7.6571 116.3314 55.5443 41.5756 174.9442 82 I 4.4327 8.7314 125.2065 61.9692 37.7161 175.3882 83 T 4.7582 9.4806 124.7617 61.8752 71.4345 173.0607 84 C 4.9469 8.8151 122.6323 56.1548 41.7015 173.9730 85 G 4.1835 9.1718 111.5108 44.1751 0.0000 172.8060 86 K 5.0322 7.8630 119.8977 55.0420 34.1332 175.1735 *88 G 4.2236 7.9462 112.8301 45.3970 0.0000 176.0924 89 T 4.5280 8.6130 116.1920 59.3957 71.7695 174.1982 90 N 4.1697 8.6007 119.8497 57.3439 38.7379 177.3729 91 C 4.1622 8.1367 116.8466 60.1347 39.2436 175.5339 92 E 4.0405 7.9740 119.4852 59.9108 29.1572 179.5641 93 E 3.8772 8.5284 118.5400 59.4089 29.4501 179.6411 94 Q 3.8832 8.3810 118.4571 58.9646 28.8389 178.6209 95 I 3.5291 8.2629 121.3326 64.4330 37.0335 177.6874 96 C 3.0499 7.9662 119.6015 59.2580 38.2466 175.5108 97 E 3.7615 7.8480 119.9729 59.3428 29.0676 178.6976 98 C 4.2013 8.0581 116.6217 60.0255 40.2648 175.8975 99 D 3.5005 7.7832 120.2872 57.0685 40.3923 178.4539 100 R 3.8095 7.9967 119.5130 59.7235 30.0096 178.5092 101 V 3.4806 7.5918 117.1553 65.8838 31.5068 177.8403 102 A 3.5483 7.6851 119.6889 54.9672 17.8183 179.3314 103 A 3.9983 8.1993 119.5257 55.5461 18.4332 179.7439 104 E 3.9332 8.1177 116.9461 59.3518 29.3396 178.5165 105 C 4.1957 8.1058 118.3773 59.5166 43.7740 175.4502 106 F 4.6271 7.7319 119.3146 60.7211 38.3534 177.3172 107 R 3.9232 7.6954 117.8215 59.9039 29.5551 178.7193 108 R 4.0206 8.0171 116.3794 58.3510 30.3471 177.7147 109 N 4.9223 7.9539 114.6764 53.0353 38.8122 176.4996 110 L 4.0675 7.6822 124.0964 58.0382 41.4863 179.0460 111 D 4.3929 8.2564 116.9789 56.1088 39.2474 177.1382 112 T 4.4980 7.7086 107.1614 61.0363 68.8936 173.7896 113 Y 4.0455 8.2171 125.0320 58.0733 39.2949 174.2619 114 N 5.0330 8.9758 126.2232 51.5248 40.7069 174.6537 115 N 4.6293 9.0070 124.1489 56.3981 38.8050 176.9373 116 G 3.6706 9.1873 106.0992 46.9492 0.0000 173.5078 117 Y 4.4432 7.8818 117.6561 58.0796 38.7812 175.8417 118 M 4.4729 7.5908 120.1582 56.2800 32.7454 175.9105 119 F 3.7711 8.3405 119.3565 58.6384 37.2254 176.0880 120 Y 4.3013 7.9881 120.7381 56.3807 39.0373 174.8669 121 R 3.9468 8.2505 127.5070 56.7841 30.5835 176.8309 122 D 4.4029 8.6993 121.4896 53.9552 39.4517 177.9775 *124 S 4.5819 7.8352 114.7356 58.6665 64.6337 174.4797 125 K 4.2619 7.7521 118.2921 56.8964 32.1465 176.3180 126 C 4.9577 7.6513 117.0794 56.8564 40.2716 175.3511 127 T 4.3882 7.4878 117.6872 62.5198 68.0442 174.3038 128 E 4.6799 8.0648 121.9019 55.1198 31.8057 175.4028 129 T 4.0517 8.6700 117.1097 64.2697 68.7151 174.3414 130 S 5.1050 8.5093 122.7342 58.1822 63.4405 174.4407 131 E 4.2077 8.8332 123.1065 56.5334 30.2368 175.5763 132 E 4.6888 8.4865 122.0005 54.7159 31.5489 176.5378 133 C 4.4741 8.7275 121.8896 57.3828 41.3354 173.5839 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 8.28 4.84 0.00 3.16 3.19 0.00 0.00 6.10 5.79 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 2 L 8.87 4.06 0.00 1.83 1.95 1.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.10 3.99 0.00 1.80 1.81 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.49 4.09 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 5 F 8.34 4.48 0.00 3.26 3.31 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 6 N 8.45 4.08 0.00 3.02 2.86 0.00 0.00 6.70 7.86 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 7 K 7.67 3.93 0.00 2.07 2.11 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.57 7.81 8 M 8.33 4.26 0.00 2.16 2.43 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 9 I 7.83 3.59 1.78 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.44 0.00 0.00 10 K 7.92 4.75 0.00 1.88 2.01 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *12 E 7.88 4.30 0.00 2.35 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 0.00 2.26 2.37 0.00 13 E 8.65 4.09 0.00 1.90 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 2.34 2.38 0.00 14 T 8.17 4.20 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 1.11 0.00 0.00 15 G 8.18 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 16 K 7.64 4.23 0.00 1.71 0.93 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.09 7.81 17 N 8.58 5.06 0.00 3.04 2.97 0.00 0.00 6.65 7.54 0.00 0.00 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 8.84 4.18 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 19 I 7.61 4.67 1.90 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 1.40 0.62 1.02 0.00 0.00 20 P 0.00 4.72 0.00 2.14 2.44 0.00 2.82 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 1.28 1.79 0.00 21 F 6.37 4.07 0.00 3.19 2.53 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 0.00 0.00 0.00 0.00 22 Y 8.64 4.45 0.00 2.69 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 23 A 7.77 4.00 0.49 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 24 F 7.42 5.14 0.00 2.59 2.88 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 25 Y 8.53 4.92 0.00 3.05 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 26 G 7.48 3.37 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 0.00 27 C 9.77 4.56 0.00 2.75 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 28 Y 8.66 4.23 0.00 3.47 3.12 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 29 C 8.49 4.69 0.00 3.46 3.44 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 30 G 8.89 4.56 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 0.00 31 W 8.64 4.16 0.00 3.33 3.17 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 32 G 8.92 3.70 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 0.00 0.00 0.00 33 G 7.50 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 0.00 0.00 0.00 34 Q 6.97 4.53 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 35 G 8.44 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 36 K 8.35 4.89 0.00 1.69 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.40 7.81 37 P 0.00 4.59 0.00 1.96 2.17 0.00 3.43 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 38 K 8.82 3.88 0.00 0.91 0.74 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.93 0.21 7.81 39 D 7.33 4.55 0.00 2.82 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 40 G 8.90 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 0.00 0.00 0.00 0.00 41 T 8.16 4.30 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 1.20 0.00 0.00 42 D 8.93 4.69 0.00 2.94 2.88 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 43 R 8.12 4.06 0.00 2.11 2.16 0.00 3.17 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 44 C 8.24 4.22 0.00 3.33 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 45 C 8.44 4.43 0.00 3.43 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 46 F 8.05 3.72 0.00 2.54 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 47 V 8.01 3.20 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 0.82 0.00 0.00 1.06 0.00 0.00 48 H 7.78 3.90 0.00 3.23 3.39 0.00 5.85 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 49 D 7.79 4.16 0.00 2.76 2.56 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 50 C 7.15 3.98 0.00 2.81 2.92 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 51 C 8.26 4.16 0.00 2.99 3.17 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 52 Y 8.40 4.11 0.00 2.93 2.88 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 G 8.32 3.63 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 0.00 0.00 0.00 54 R 7.71 4.20 0.00 1.95 1.94 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 55 L 7.47 4.60 0.00 1.60 1.50 0.85 0.60 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 56 V 7.60 3.53 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 0.76 0.00 0.00 1.00 0.00 0.00 *59 N 7.93 5.10 0.00 2.90 3.09 0.00 0.00 6.71 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 *61 C 7.69 5.13 0.00 2.99 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 *67 N 8.43 4.94 0.00 2.84 2.82 0.00 0.00 7.32 7.05 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 68 T 7.62 3.40 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 0.72 0.00 0.00 69 K 8.09 4.45 0.00 1.99 2.10 0.00 2.09 0.00 0.00 2.24 0.00 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.78 1.58 7.81 70 S 7.85 4.60 0.00 3.98 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 71 D 8.14 4.35 0.00 2.81 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 72 I 8.27 4.14 1.85 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 1.42 0.77 0.89 0.00 0.00 73 Y 8.34 4.88 0.00 2.95 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 74 S 8.56 5.05 0.00 4.00 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 75 Y 8.47 5.37 0.00 3.23 3.12 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 76 S 9.29 4.25 0.00 3.79 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 77 L 8.42 4.92 0.00 1.56 1.72 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.18 4.11 0.00 1.84 1.76 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.39 7.81 79 E 9.29 3.90 0.00 2.19 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 0.00 2.24 2.27 0.00 80 G 8.25 4.04 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 0.00 0.00 0.00 81 Y 7.66 4.63 0.00 3.18 2.84 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 82 I 8.73 4.43 1.94 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 1.50 0.53 1.00 0.00 0.00 83 T 9.48 4.76 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 1.24 0.00 0.00 84 C 8.82 4.95 0.00 2.82 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 85 G 9.17 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 0.00 0.00 0.00 86 K 7.86 5.03 0.00 1.85 1.68 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.54 7.81 *88 G 7.95 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 0.00 0.00 0.00 0.00 89 T 8.61 4.53 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 1.22 0.00 0.00 90 N 8.60 4.17 0.00 2.75 2.85 0.00 0.00 6.89 7.65 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 91 C 8.14 4.16 0.00 2.98 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 92 E 7.97 4.04 0.00 2.31 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 0.00 2.61 2.53 0.00 93 E 8.53 3.88 0.00 2.12 1.94 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 2.48 2.48 0.00 94 Q 8.38 3.88 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 95 I 8.26 3.53 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.49 1.00 0.00 0.00 96 C 7.97 3.05 0.00 1.77 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 97 E 7.85 3.76 0.00 2.12 1.89 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 2.39 2.41 0.00 98 C 8.06 4.20 0.00 3.29 3.10 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 0.00 0.00 0.00 0.00 99 D 7.78 3.50 0.00 2.67 2.55 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 0.00 100 R 8.00 3.81 0.00 1.83 1.98 0.00 3.33 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 101 V 7.59 3.48 2.05 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 0.85 0.00 0.00 0.86 0.00 0.00 102 A 7.69 3.55 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 0.00 103 A 8.20 4.00 1.46 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 0.00 0.00 0.00 104 E 8.12 3.93 0.00 2.12 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 2.43 2.28 0.00 105 C 8.11 4.20 0.00 2.85 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 0.00 106 F 7.73 4.63 0.00 3.09 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 0.00 107 R 7.70 3.92 0.00 1.89 2.01 0.00 3.05 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 108 R 8.02 4.02 0.00 2.00 2.00 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 109 N 7.95 4.92 0.00 2.90 2.94 0.00 0.00 6.87 6.20 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 0.00 110 L 7.68 4.07 0.00 1.79 1.74 0.87 0.77 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 0.00 111 D 8.26 4.39 0.00 2.82 2.85 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 0.00 112 T 7.71 4.50 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 1.27 0.00 0.00 113 Y 8.22 4.05 0.00 3.13 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 0.00 114 N 8.98 5.03 0.00 2.75 2.74 0.00 0.00 6.79 6.28 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 0.00 115 N 9.01 4.63 0.00 2.89 2.95 0.00 0.00 6.99 7.61 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 0.00 116 G 9.19 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.44 0.00 2.34 1.46 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 0.00 118 M 7.59 4.47 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.30 0.00 119 F 8.34 3.77 0.00 3.15 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 0.00 120 Y 7.99 4.30 0.00 3.12 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 0.00 121 R 8.25 3.95 0.00 1.69 1.72 0.00 3.10 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 122 D 8.70 4.40 0.00 2.81 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 *124 S 7.84 4.58 0.00 3.99 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 0.00 125 K 7.75 4.26 0.00 1.35 1.72 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.22 7.81 126 C 7.65 4.96 0.00 3.23 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 0.00 127 T 7.49 4.39 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 1.21 0.00 0.00 128 E 8.06 4.68 0.00 2.09 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 2.21 2.33 0.00 129 T 8.67 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 0.00 130 S 8.51 5.11 0.00 3.84 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 0.00 131 E 8.83 4.21 0.00 1.47 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 2.20 2.17 0.00 132 E 8.49 4.69 0.00 1.99 1.87 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 2.24 2.41 0.00 133 C 8.73 4.47 0.00 2.96 2.88 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 * Residues marked with a * may have inaccurate shift predictions.