NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4900 8.1749 117.3743 63.4631 70.0711 172.8289 2 S 4.6482 9.8643 122.2847 54.9147 66.0759 171.6044 3 I 5.3211 8.2289 118.2389 59.5087 41.0619 173.9980 4 M 4.9578 9.0404 120.4447 54.2839 35.1436 173.3474 5 A 5.1083 8.4027 120.6218 50.4192 22.2860 175.5145 6 V 4.5226 8.9200 122.9912 61.1558 34.5630 174.6669 7 T 4.8227 8.6627 118.2608 60.6290 70.3346 173.7594 8 F 4.9906 8.4332 119.0625 54.7055 41.3069 174.7491 9 K 3.7005 9.1618 120.7987 60.0922 31.5105 177.2766 10 D 4.6115 7.4047 114.0789 53.7170 42.8398 177.6900 11 G 4.4512 5.3800 111.0887 45.4766 0.0000 175.9160 12 V 5.1225 8.0878 119.0109 60.3169 33.8592 172.7085 13 I 4.6649 8.9562 122.4737 59.6189 40.7034 174.2584 14 L 5.0721 8.5912 125.9368 53.1020 43.7607 176.0446 15 G 4.3489 9.1402 109.2120 44.9212 0.0000 171.0849 16 A 5.7370 8.5015 120.9332 51.8956 22.2629 175.9116 17 D 4.8211 8.4802 119.6647 52.0067 42.4372 176.0879 18 S 4.9259 8.2842 111.3131 57.2561 64.2838 172.9265 19 R 5.1375 8.6915 121.7068 55.8044 31.4150 175.0975 20 T 4.8479 8.7652 116.9338 60.0953 71.4974 173.2617 21 T 5.2086 8.4451 113.4859 60.3966 72.7080 174.0847 22 T 4.4590 8.6458 112.0868 60.6946 70.3788 174.5934 23 G 3.9113 8.3399 121.1528 47.2241 0.0000 172.9786 24 A 4.3938 8.6560 126.8334 52.1475 19.5464 176.4360 25 Y 4.4203 7.7736 118.6960 56.5950 39.5639 174.7511 26 I 4.2626 7.3915 128.0047 59.7362 36.3470 175.3551 27 A 4.0417 8.1426 129.9718 54.5579 18.7254 177.6605 28 N 4.8502 7.8448 112.7909 52.5375 42.1225 174.7148 29 R 4.5125 8.5710 120.4212 56.2557 30.6786 176.5116 30 V 4.5249 8.0177 112.5521 61.2480 32.5745 176.2300 31 T 3.9594 8.1164 117.1141 64.0606 69.7502 173.3557 32 D 4.9650 8.6495 124.6517 52.8610 42.1554 175.6383 33 K 4.3585 8.6831 124.5928 56.6477 33.6300 176.3469 34 L 4.7103 8.3044 121.5285 53.9732 42.1451 175.8666 35 T 4.5716 8.8461 121.5612 61.6146 71.1687 173.9268 36 R 3.3507 7.8463 126.1160 55.1313 30.2522 176.2587 37 V 4.1452 7.8465 118.8645 61.6870 33.0056 174.4987 38 H 4.5203 7.5084 117.8535 55.2055 32.5774 173.6410 39 D 4.5855 8.4710 121.3010 57.3519 40.5556 179.5749 40 K 5.0641 8.1202 117.1243 56.2779 34.0662 175.6283 41 I 5.0922 8.2233 120.4855 59.7588 40.7062 174.9811 42 W 5.3295 9.5950 126.8986 54.9250 33.5220 174.0110 43 C 5.3371 9.5139 114.8653 57.3668 33.3451 172.5608 44 C 5.3185 9.0912 117.4484 58.1334 30.5203 173.2316 45 R 5.0442 8.5104 123.0697 54.6066 31.6031 175.9699 46 S 4.5425 8.8765 116.7058 57.2492 66.6427 172.9693 47 G 4.4359 8.9569 105.5851 44.1539 0.0000 174.3996 48 S 4.1707 9.4363 119.0407 57.9526 63.1339 174.9568 49 A 3.9656 8.8558 129.6580 55.2415 18.3539 179.3113 50 A 3.9521 8.0281 118.8289 55.5338 18.3638 179.4745 51 D 4.3018 8.2578 117.3499 57.8206 40.9700 179.1197 52 T 3.9693 8.0731 110.3077 64.8766 68.5962 176.4061 53 Q 3.9520 8.4956 120.8919 58.7121 28.9371 178.4180 54 A 3.9760 8.0190 121.6375 55.3278 18.2907 179.7439 55 I 3.6114 8.2097 118.2082 64.4329 37.1663 178.3987 56 A 4.0124 8.4559 121.8925 55.5545 18.1579 179.2013 57 D 4.3215 8.7498 117.6011 57.7574 40.7865 179.5291 58 I 3.7889 7.5909 119.7995 64.2351 37.1511 178.4098 59 V 3.4170 7.7927 119.4128 66.0466 31.1946 177.5912 60 Q 4.0679 8.2499 119.4651 59.5180 28.7978 177.9227 61 Y 4.0171 7.6885 120.3990 61.1096 38.7711 177.8157 62 H 3.8896 8.3428 117.1817 58.7561 28.7692 177.8701 63 L 3.9712 8.3125 121.3084 57.4311 41.4336 179.0403 64 E 3.9229 8.2236 119.4535 59.2342 29.5884 178.7259 65 L 3.8046 7.6095 120.3617 58.0557 42.1108 178.0905 66 Y 4.0354 8.1971 119.7405 61.0742 38.4956 178.3042 67 T 4.7248 8.2023 116.8983 66.5431 68.7068 176.2556 68 S 4.1551 7.7444 115.4593 61.4694 62.8431 176.2154 69 Q 3.9538 7.2067 118.5321 56.8439 28.6763 176.2213 70 Y 4.5661 7.4948 116.6936 57.6186 39.5836 175.5141 *72 G 4.3355 7.6648 108.8260 45.6959 0.0000 172.4923 73 T 4.2438 8.5726 116.2960 63.2544 68.9725 172.1170 74 P 4.5418 0.0000 0.0000 61.5351 32.8441 176.3334 75 S 4.4528 8.0073 115.5375 58.1468 65.2873 175.4090 76 T 3.9372 8.2077 117.9550 66.3668 68.1499 176.7291 77 E 3.9807 8.0738 120.9361 59.6593 29.7198 178.7946 78 T 3.7758 8.1125 115.7154 66.6018 68.5672 176.4245 79 A 3.9627 7.7798 122.3551 55.1594 18.3386 179.5898 80 A 4.1287 8.2181 119.2929 55.2485 18.3591 179.8481 81 S 4.0258 8.1568 111.9716 61.4867 62.4906 176.6050 82 V 3.5470 7.8772 121.0892 65.7459 31.1504 178.0000 83 F 3.9805 8.1360 117.3186 60.4950 38.7625 177.3514 84 K 3.9433 8.4483 119.3809 59.6307 31.9527 178.1322 85 E 3.9872 8.3878 119.4382 59.5190 29.0958 178.9247 86 L 4.0579 7.9380 118.7782 58.0604 41.4711 179.2906 87 C 4.2844 8.3691 116.0179 62.3610 28.4131 175.3143 88 Y 4.2355 8.4384 121.7039 60.5752 38.4166 177.1695 89 E 3.9488 8.2238 118.9433 58.4245 29.7021 176.9136 90 N 5.0322 7.7951 115.5429 52.4142 39.3231 176.5175 91 K 3.8214 7.7471 120.7847 60.1606 32.7704 177.8029 92 D 4.3238 7.5612 118.3129 56.6149 40.9149 177.4084 *94 N 5.0850 7.8820 114.6598 52.6169 40.0348 173.7250 95 L 5.1508 7.7300 116.4950 53.5828 45.7026 176.8036 96 T 4.7364 8.6856 116.8710 61.4943 69.6425 170.9470 97 A 4.9879 8.2327 123.4642 49.8929 22.6217 175.5025 98 G 4.0351 9.3350 111.2835 44.8211 0.0000 172.2326 99 I 5.0565 8.3276 126.5392 59.1036 40.5768 175.2055 100 I 4.3829 8.3978 126.2733 59.4787 39.7390 174.5443 101 V 4.6881 8.3484 126.7276 61.0661 33.1360 174.5638 102 A 4.8382 9.1343 129.3902 50.2233 22.0593 174.9062 103 G 4.6113 8.6761 107.5769 44.6548 0.0000 171.0960 104 Y 4.9431 8.9402 123.2954 55.3706 41.0711 175.4473 105 D 3.9964 7.2771 124.2703 53.4315 39.6783 175.0297 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 4.49 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 2 S 9.86 4.65 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 8.23 5.32 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 9.04 4.96 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 5 A 8.40 5.11 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 8.92 4.52 2.12 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 1.13 0.00 0.00 0.93 0.00 0.00 7 T 8.66 4.82 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 1.24 0.00 0.00 8 F 8.43 4.99 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 3.70 0.00 1.80 2.07 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 D 7.40 4.61 0.00 2.67 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 11 G 5.38 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 5.12 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 0.77 0.00 0.00 1.04 0.00 0.00 13 I 8.96 4.66 1.83 0.00 0.00 0.41 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 0.84 0.83 0.00 0.00 14 L 8.59 5.07 0.00 1.44 1.58 0.91 0.98 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 15 G 9.14 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 16 A 8.50 5.74 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 8.48 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 8.28 4.93 0.00 3.93 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 19 R 8.69 5.14 0.00 1.79 2.04 0.00 3.18 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.77 4.85 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 8.45 5.21 4.41 0.00 0.00 0.00 0.00 0.00 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 22 T 8.65 4.46 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 1.27 0.00 0.00 23 G 8.34 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 24 A 8.66 4.39 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 0.00 0.00 0.00 0.00 0.00 25 Y 7.77 4.42 0.00 2.98 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 26 I 7.39 4.26 1.57 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 1.25 0.55 0.81 0.00 0.00 27 A 8.14 4.04 1.33 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 0.00 0.00 0.00 28 N 7.84 4.85 0.00 2.71 2.59 0.00 0.00 6.71 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 8.57 4.51 0.00 1.90 1.94 0.00 2.99 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 30 V 8.02 4.52 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 0.71 0.00 0.00 1.01 0.00 0.00 31 T 8.12 3.96 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 1.23 0.00 0.00 32 D 8.65 4.96 0.00 2.70 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 33 K 8.68 4.36 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.30 4.71 0.00 1.85 1.87 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.85 4.57 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 7.85 3.35 0.00 0.67 1.13 0.00 3.10 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 37 V 7.85 4.15 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 0.89 0.00 0.00 1.07 0.00 0.00 38 H 7.51 4.52 0.00 3.14 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.47 4.59 0.00 2.72 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 40 K 8.12 5.06 0.00 1.85 1.98 0.00 1.83 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.59 7.81 41 I 8.22 5.09 1.98 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 1.31 0.81 1.02 0.00 0.00 42 W 9.60 5.33 0.00 3.21 3.24 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 43 C 9.51 5.34 0.00 2.74 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 44 C 9.09 5.32 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 45 R 8.51 5.04 0.00 1.74 1.87 0.00 3.17 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 46 S 8.88 4.54 0.00 3.86 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 8.96 4.44 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 0.00 48 S 9.44 4.17 0.00 3.83 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 49 A 8.86 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 8.03 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 8.26 4.30 0.00 2.73 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 8.07 3.97 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 1.31 0.00 0.00 53 Q 8.50 3.95 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 8.02 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.61 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 1.03 0.00 0.00 56 A 8.46 4.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.32 0.00 2.88 2.74 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 58 I 7.59 3.79 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 0.67 0.99 0.00 0.00 59 V 7.79 3.42 1.67 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 0.67 0.00 0.00 -0.21 0.00 0.00 60 Q 8.25 4.07 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 61 Y 7.69 4.02 0.00 3.05 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 62 H 8.34 3.89 0.00 3.34 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.31 3.97 0.00 1.63 1.61 0.92 0.47 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 64 E 8.22 3.92 0.00 2.02 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 2.24 2.29 0.00 65 L 7.61 3.80 0.00 1.42 1.49 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.20 4.04 0.00 3.29 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 67 T 8.20 4.72 4.48 0.00 0.00 0.00 0.00 0.00 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 68 S 7.74 4.16 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.39 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 70 Y 7.49 4.57 0.00 2.37 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 *72 G 7.66 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 73 T 8.57 4.24 4.32 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 0.00 0.00 1.29 0.00 0.00 74 P 0.00 4.54 0.00 1.67 1.10 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 75 S 8.01 4.45 0.00 4.03 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 76 T 8.21 3.94 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 77 E 8.07 3.98 0.00 2.00 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 2.39 0.00 78 T 8.11 3.78 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 0.82 0.00 0.00 79 A 7.78 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.03 0.00 3.97 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 82 V 7.88 3.55 1.96 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 0.80 0.00 0.00 0.87 0.00 0.00 83 F 8.14 3.98 0.00 3.34 3.06 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 0.00 0.00 0.00 84 K 8.45 3.94 0.00 1.83 2.10 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 E 8.39 3.99 0.00 2.36 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 7.94 4.06 0.00 1.98 1.73 0.84 0.97 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 87 C 8.37 4.28 0.00 3.05 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 88 Y 8.44 4.24 0.00 3.02 3.06 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 0.00 0.00 0.00 89 E 8.22 3.95 0.00 2.35 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 2.38 2.36 0.00 90 N 7.80 5.03 0.00 2.98 2.74 0.00 0.00 6.58 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 91 K 7.75 3.82 0.00 1.84 2.05 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.39 1.30 7.81 92 D 7.56 4.32 0.00 2.56 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 *94 N 7.88 5.09 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 7.73 5.15 0.00 1.59 1.54 1.00 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 96 T 8.69 4.74 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 8.23 4.99 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 98 G 9.33 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 99 I 8.33 5.06 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.34 0.00 0.00 100 I 8.40 4.38 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 0.73 0.89 0.00 0.00 101 V 8.35 4.69 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 0.83 0.00 0.00 0.54 0.00 0.00 102 A 9.13 4.84 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 0.00 103 G 8.68 4.61 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 0.00 0.00 0.00 104 Y 8.94 4.94 0.00 2.98 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 0.00 105 D 7.28 4.00 0.00 2.59 2.35 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 * Residues marked with a * may have inaccurate shift predictions.