NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4540 8.3049 120.3506 55.4099 33.3117 175.5451 2 E 4.0488 8.8056 125.2702 57.6906 30.0731 175.5324 3 L 4.7565 8.4540 118.8335 52.8221 46.1151 175.1380 4 I 4.3941 8.4774 124.1303 59.5932 38.6427 174.8788 5 R 4.5688 8.4558 125.8167 54.6965 31.5072 174.8118 6 F 4.9497 7.8566 117.7951 56.2296 40.6689 173.1113 7 S 4.8388 8.5581 116.5756 56.8826 65.3074 173.6715 8 I 4.7207 7.8817 120.9683 59.5648 41.0024 174.2489 9 S 4.8606 8.4944 121.0633 56.8143 64.9668 173.8490 10 I 4.6778 7.8641 123.7316 57.8421 41.1509 174.0123 11 P 4.3428 0.0000 0.0000 62.2595 32.5785 177.3892 12 S 4.0912 8.7681 118.7122 61.8880 62.7583 176.8507 13 K 3.8463 8.1209 121.9692 59.0806 31.8164 178.7457 14 L 3.9940 7.9610 119.6541 58.1308 41.8059 178.7586 15 L 4.0601 7.9450 120.3752 57.9023 42.0845 178.3755 16 E 3.9587 8.5125 119.0894 59.5147 29.4608 179.4718 17 K 3.9450 7.9344 118.7332 59.5623 32.3286 178.5088 18 F 4.2289 8.0915 120.6015 61.4144 39.1606 176.9177 19 D 4.0722 8.4425 118.6339 57.3652 40.8160 178.2265 20 Q 3.9457 8.0686 120.0093 59.3746 28.8916 178.8214 21 I 3.6771 7.7024 120.7416 64.3416 37.3475 178.4144 22 I 3.8720 7.3270 113.2358 63.1819 37.0030 177.9389 23 E 3.9654 7.8625 120.8151 59.3513 29.2997 178.4479 24 E 3.9381 7.6981 116.7138 59.7366 29.6549 179.3297 25 I 3.8437 7.6324 118.4397 62.8396 37.0781 177.2386 26 G 4.0458 7.5037 106.9023 45.5331 0.0000 173.2054 27 Y 4.2602 7.6145 116.5757 57.5539 38.4848 175.9531 28 E 4.2771 9.4439 123.2608 58.6206 30.0121 176.5886 29 N 5.0201 7.8269 113.6302 50.1903 40.3980 175.3780 30 R 3.7531 8.5499 117.7471 59.4278 29.9706 179.5290 31 S 4.0972 8.0854 114.8036 61.2522 62.8535 176.2665 32 E 3.9551 8.2943 120.8232 59.4766 29.2569 178.8594 33 A 3.0976 6.8716 120.2060 55.1381 18.3172 179.5465 34 I 3.5851 7.9429 117.4983 64.3488 37.1193 178.5489 35 R 3.8951 8.0670 119.4432 59.6671 29.8775 178.2425 36 D 4.3935 8.1233 118.3357 57.4705 40.8727 178.5755 37 L 4.0450 8.0611 119.4378 58.2317 41.5656 179.8808 38 I 3.7887 7.9984 119.5188 64.1049 37.1290 178.4177 39 R 3.9004 8.2043 119.7838 59.7661 30.0568 178.2743 40 D 4.4042 8.5635 119.0174 57.2468 40.7501 178.7698 41 F 4.0522 8.2081 121.0778 61.5206 39.2849 177.0796 42 I 3.5309 7.8833 118.1877 64.5016 37.0070 178.3429 43 I 3.6712 7.4942 119.9772 64.5008 36.8438 178.7805 44 R 2.0000 7.0765 116.9499 57.7828 29.9264 177.4807 45 H 4.6224 7.2521 115.6012 55.4332 30.1637 175.3707 46 E 4.5777 7.4217 118.5443 55.7546 32.6799 177.0933 47 W 4.7065 7.7674 119.6162 55.7691 26.9603 175.9081 48 E 3.8826 7.9758 118.0944 57.0541 29.8997 176.2158 49 V 4.5442 8.1641 118.8743 59.2704 34.7713 177.6474 50 G 4.2491 8.1808 112.3038 45.3173 0.0000 173.6409 51 N 5.0677 8.7509 119.5844 53.1742 39.6560 174.0590 52 E 4.2901 8.3206 117.8926 55.8553 31.4724 174.6456 53 E 5.0376 8.6917 121.3532 55.2754 31.3403 176.0373 54 V 4.6988 9.1799 119.4978 59.3986 36.5727 174.3379 55 A 5.0210 8.7091 122.8275 50.4644 21.8846 175.8035 56 G 4.4052 9.6038 110.1468 45.0976 0.0000 170.9316 57 T 5.2159 8.6820 108.6926 60.1151 72.3691 173.1380 58 I 4.5953 9.0346 127.3565 59.9556 39.3296 174.5704 59 T 4.9816 8.5959 125.5623 62.4315 69.9181 174.4713 60 I 5.2084 9.4226 119.9049 59.1093 41.8545 174.3911 61 V 4.9540 8.8165 123.0094 61.4440 34.7142 173.9313 62 Y 5.1489 8.3737 124.4404 56.0598 42.4159 173.2013 63 N 5.3642 8.6482 118.1291 52.2613 39.3407 175.3638 64 H 4.5819 9.1332 123.4754 58.0478 28.8002 176.0535 65 D 4.6170 8.3105 118.9385 54.2795 40.9697 175.8779 66 E 4.3232 8.3431 121.9391 56.3645 31.5211 176.5966 67 G 4.1106 8.1016 113.4060 46.9994 0.0000 173.5932 68 D 4.9569 8.2628 120.2177 53.0154 42.1141 178.0072 69 V 3.5559 7.5654 120.2046 64.5187 30.9199 177.2542 70 V 3.4371 7.7623 118.1528 65.8099 31.3113 177.8397 71 K 3.9457 7.9752 118.3816 59.3240 32.2273 178.2581 72 A 4.0176 8.0534 121.0866 55.3308 18.1878 179.7066 73 L 3.9120 8.1507 117.6000 57.7375 41.6047 179.7493 74 L 3.9666 7.6189 118.6530 57.9664 41.4503 179.0779 75 D 4.4006 8.4300 117.6421 57.5759 41.2110 178.5950 76 L 4.1803 8.0696 120.5334 58.1959 42.1069 178.9925 77 Q 4.2569 8.1451 118.1953 58.9214 28.5549 177.5894 78 H 4.4763 8.3234 115.4296 57.5330 28.8403 176.9922 79 E 4.0513 7.7918 119.2040 57.7481 31.0039 176.6234 80 Y 4.7665 7.6348 115.9716 56.6879 37.7154 176.4086 81 L 4.3389 7.7438 117.7369 56.2457 42.6579 178.2942 82 D 4.6337 8.0548 118.1879 55.9861 41.7190 177.0891 83 E 5.1325 8.0639 117.1157 56.6889 31.4592 176.0336 84 I 4.3465 7.5427 120.1934 60.3881 37.2889 176.1868 85 I 4.0198 8.6335 129.0959 63.6512 37.2673 176.7043 86 S 4.8040 7.6928 114.9235 57.8668 67.9916 172.5337 87 S 4.9875 8.3541 114.5430 57.2344 65.7838 173.1544 88 L 4.6222 9.1815 126.8124 53.7612 43.6940 174.2960 89 H 5.3336 8.8511 125.6871 54.2882 32.6786 172.6413 90 V 4.2874 8.7561 125.5251 61.1826 34.1705 174.3979 91 H 4.7700 8.7385 125.8175 55.7876 28.2464 175.2321 92 M 4.2144 8.5768 126.3353 58.1312 32.1756 176.2507 93 D 4.4617 7.5444 114.2958 52.9809 41.9845 173.8072 94 E 4.0050 9.1390 118.9514 59.9303 29.7291 177.9945 95 H 4.8243 9.1075 114.6709 56.9446 31.7553 174.8693 96 N 5.2136 8.4131 115.2346 53.0281 40.0595 174.3725 97 C 5.1229 8.9767 119.7991 57.6797 32.7985 172.6336 98 L 5.0283 8.3461 122.4244 53.2426 44.8248 174.8034 99 E 5.1541 9.4746 126.8402 54.3363 33.3796 174.1832 100 V 4.8066 9.0796 126.2599 61.1273 34.6544 174.0006 101 I 4.9216 8.5921 128.3282 59.5304 40.1024 174.6161 102 V 4.6223 8.6587 127.7819 62.0601 32.9657 175.2180 103 V 5.2509 8.9668 120.3822 59.8620 36.6085 174.5025 104 K 4.9592 9.0331 121.1291 54.9430 36.2755 176.6049 105 G 4.0194 8.1537 109.4848 46.0523 0.0000 170.5338 106 E 5.0269 8.5181 119.6293 55.9270 29.8055 177.5852 107 A 3.9010 8.7941 126.9455 55.3108 18.2430 179.1745 108 K 3.8876 7.9598 117.5584 59.5739 32.5779 178.9534 109 K 3.9685 8.3238 120.2865 59.3190 32.0047 178.9632 110 I 3.6311 7.6375 119.8869 64.1934 37.1340 178.0959 111 K 3.8815 7.8701 120.0667 59.5822 31.9441 178.5547 112 M 4.0140 7.6687 118.7726 58.4245 32.1439 178.3874 113 I 3.3557 7.5054 119.4144 64.2120 37.2206 177.9788 114 A 3.9658 7.9795 121.7063 55.5915 18.2683 179.5052 115 D 4.3072 8.0555 117.0747 57.4562 40.6909 179.1876 116 K 4.0666 7.8193 117.9453 59.5217 32.1363 178.7392 117 L 4.1380 8.0041 120.0880 56.9616 41.4472 178.9159 118 L 3.9416 8.2882 121.1766 57.7182 42.0112 179.0997 119 S 4.3744 7.7531 111.4166 59.6292 63.7275 174.8828 120 L 3.9904 7.8628 122.1210 54.6292 41.9013 176.3297 121 K 4.0340 8.3601 123.7821 56.9279 32.4730 176.3702 122 G 3.8933 8.8715 113.8128 45.6460 0.0000 173.2182 123 V 4.0585 7.2006 119.8324 61.1960 30.6705 175.5114 124 K 4.1223 8.6728 128.4473 59.7002 32.2731 176.7873 125 H 4.7172 7.0470 115.8355 54.9364 33.2419 172.7721 126 G 4.4308 7.5206 110.3016 46.6606 0.0000 171.9111 127 K 4.8151 8.1392 118.3254 54.8012 36.9272 175.3435 128 L 5.0974 8.4388 124.3285 53.7459 44.6834 176.1282 129 V 4.3569 8.3602 122.9025 61.9816 34.3724 173.7531 130 M 5.0673 8.4865 127.2089 54.2505 35.0217 175.5149 131 T 4.3584 8.0752 113.5531 61.3041 71.7523 172.4019 132 S 4.5195 8.7745 124.4193 57.0765 62.6184 173.5326 133 T 3.7764 8.6379 117.9645 61.6190 68.8596 174.1963 *134 G 3.7113 8.4074 108.9241 45.8940 0.0000 172.7801 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 M 8.30 4.45 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.77 0.00 2 E 8.81 4.05 0.00 2.09 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 2.32 2.35 0.00 3 L 8.45 4.76 0.00 1.58 1.54 0.93 0.82 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 4 I 8.48 4.39 1.99 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 1.33 0.59 1.00 0.00 0.00 5 R 8.46 4.57 0.00 1.76 1.83 0.00 3.23 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 6 F 7.86 4.95 0.00 3.08 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 7 S 8.56 4.84 0.00 3.89 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 0.00 8 I 7.88 4.72 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 1.40 0.83 0.85 0.00 0.00 9 S 8.49 4.86 0.00 3.86 3.73 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 10 I 7.86 4.68 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.86 0.00 0.00 11 P 0.00 4.34 0.00 2.14 1.97 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 12 S 8.77 4.09 0.00 4.04 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 13 K 8.12 3.85 0.00 1.79 1.92 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.46 7.81 14 L 7.96 3.99 0.00 1.74 1.81 0.92 0.44 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 15 L 7.95 4.06 0.00 1.83 1.85 1.01 0.99 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 16 E 8.51 3.96 0.00 2.23 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 2.35 2.59 0.00 17 K 7.93 3.94 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 18 F 8.09 4.23 0.00 3.10 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 19 D 8.44 4.07 0.00 2.91 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 20 Q 8.07 3.95 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 21 I 7.70 3.68 1.89 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 1.57 0.62 0.91 0.00 0.00 22 I 7.33 3.87 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.09 0.00 0.00 23 E 7.86 3.97 0.00 2.21 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 2.29 2.47 0.00 24 E 7.70 3.94 0.00 2.07 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 2.33 2.62 0.00 25 I 7.63 3.84 1.91 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 1.45 0.69 0.70 0.00 0.00 26 G 7.50 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 27 Y 7.61 4.26 0.00 3.14 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 28 E 9.44 4.28 0.00 2.10 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 2.34 2.26 0.00 29 N 7.83 5.02 0.00 2.88 2.87 0.00 0.00 6.29 7.66 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 30 R 8.55 3.75 0.00 1.88 2.14 0.00 3.20 0.00 0.00 3.62 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 31 S 8.09 4.10 0.00 4.02 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 32 E 8.29 3.96 0.00 2.26 2.25 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 2.41 2.58 0.00 33 A 6.87 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.94 3.59 1.80 0.00 0.00 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 1.19 0.69 0.85 0.00 0.00 35 R 8.07 3.90 0.00 1.98 2.15 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 36 D 8.12 4.39 0.00 3.00 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 37 L 8.06 4.05 0.00 1.82 1.73 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.00 3.79 2.07 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 1.36 0.72 0.97 0.00 0.00 39 R 8.20 3.90 0.00 1.91 2.16 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 40 D 8.56 4.40 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 41 F 8.21 4.05 0.00 3.16 3.20 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 42 I 7.88 3.53 2.03 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 1.60 0.97 0.88 0.00 0.00 43 I 7.49 3.67 1.85 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 1.51 1.20 0.90 0.00 0.00 44 R 7.08 2.00 0.00 1.39 1.42 0.00 3.04 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.31 0.00 45 H 7.25 4.62 0.00 2.42 2.97 0.00 5.79 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.42 4.58 0.00 1.87 1.90 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 2.19 2.22 0.00 47 W 7.77 4.71 0.00 3.35 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 48 E 7.98 3.88 0.00 2.00 1.93 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 2.32 2.45 0.00 49 V 8.16 4.54 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 0.81 0.00 0.00 0.94 0.00 0.00 50 G 8.18 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 0.00 0.00 0.00 0.00 51 N 8.75 5.07 0.00 2.69 2.73 0.00 0.00 7.14 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 52 E 8.32 4.29 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 2.39 2.37 0.00 53 E 8.69 5.04 0.00 1.92 1.82 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 2.18 2.36 0.00 54 V 9.18 4.70 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 0.68 0.00 0.00 0.98 0.00 0.00 55 A 8.71 5.02 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 56 G 9.60 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 0.00 0.00 0.00 0.00 57 T 8.68 5.22 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 58 I 9.03 4.60 1.87 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 1.21 0.76 0.91 0.00 0.00 59 T 8.60 4.98 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 60 I 9.42 5.21 2.00 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 1.35 1.40 0.94 0.00 0.00 61 V 8.82 4.95 2.13 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 0.97 0.00 0.00 0.94 0.00 0.00 62 Y 8.37 5.15 0.00 3.28 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 63 N 8.65 5.36 0.00 2.87 2.81 0.00 0.00 7.37 7.77 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 64 H 9.13 4.58 0.00 3.53 3.67 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.31 4.62 0.00 2.81 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 66 E 8.34 4.32 0.00 2.01 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 2.27 2.24 0.00 67 G 8.10 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.26 4.96 0.00 2.66 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 69 V 7.57 3.56 2.20 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 0.86 0.00 0.00 0.66 0.00 0.00 70 V 7.76 3.44 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 1.09 0.00 0.00 1.12 0.00 0.00 71 K 7.98 3.95 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.51 7.81 72 A 8.05 4.02 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 73 L 8.15 3.91 0.00 1.78 1.62 0.14 0.71 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 74 L 7.62 3.97 0.00 1.80 1.79 0.96 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.43 4.40 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.07 4.18 0.00 1.86 1.91 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.15 4.26 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 78 H 8.32 4.48 0.00 3.14 3.35 0.00 5.65 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 79 E 7.79 4.05 0.00 1.80 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 2.28 2.68 0.00 80 Y 7.63 4.77 0.00 3.05 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 81 L 7.74 4.34 0.00 1.66 1.74 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.05 4.63 0.00 2.72 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 83 E 8.06 5.13 0.00 2.00 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 2.36 0.00 84 I 7.54 4.35 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.92 0.00 0.00 85 I 8.63 4.02 1.98 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 1.24 0.48 0.92 0.00 0.00 86 S 7.69 4.80 0.00 3.73 3.73 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 87 S 8.35 4.99 0.00 3.85 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 0.00 88 L 9.18 4.62 0.00 1.75 1.57 0.92 0.71 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 89 H 8.85 5.33 0.00 3.18 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.76 4.29 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 0.91 0.00 0.00 0.91 0.00 0.00 91 H 8.74 4.77 0.00 3.20 3.24 0.00 5.75 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 92 M 8.58 4.21 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 93 D 7.54 4.46 0.00 2.70 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 94 E 9.14 4.01 0.00 1.89 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 2.00 2.27 0.00 95 H 9.11 4.82 0.00 3.05 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.41 5.21 0.00 2.75 2.68 0.00 0.00 6.91 7.66 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 97 C 8.98 5.12 0.00 1.58 2.13 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 98 L 8.35 5.03 0.00 1.60 1.38 0.90 0.62 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 99 E 9.47 5.15 0.00 2.05 1.86 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 2.26 2.40 0.00 100 V 9.08 4.81 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 0.92 0.00 0.00 0.93 0.00 0.00 101 I 8.59 4.92 1.87 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 1.14 0.54 0.97 0.00 0.00 102 V 8.66 4.62 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 1.00 0.00 0.00 0.94 0.00 0.00 103 V 8.97 5.25 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 0.77 0.00 0.00 0.94 0.00 0.00 104 K 9.03 4.96 0.00 1.75 1.85 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 105 G 8.15 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 0.00 0.00 0.00 106 E 8.52 5.03 0.00 2.05 2.07 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 2.41 2.28 0.00 107 A 8.79 3.90 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 0.00 108 K 7.96 3.89 0.00 2.17 1.81 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 109 K 8.32 3.97 0.00 1.86 1.87 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 110 I 7.64 3.63 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.67 0.88 0.00 0.00 111 K 7.87 3.88 0.00 1.91 1.95 0.00 1.48 0.00 0.00 1.54 0.00 0.00 3.32 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.60 7.81 112 M 7.67 4.01 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 113 I 7.51 3.36 1.77 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 0.14 0.36 0.63 0.00 0.00 114 A 7.98 3.97 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 0.00 115 D 8.06 4.31 0.00 2.72 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 0.00 116 K 7.82 4.07 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.65 7.81 117 L 8.00 4.14 0.00 1.91 1.62 0.89 0.36 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 0.00 118 L 8.29 3.94 0.00 1.63 1.80 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.75 4.37 0.00 4.01 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 0.00 120 L 7.86 3.99 0.00 1.72 1.61 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.36 4.03 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 122 G 8.87 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 0.00 123 V 7.20 4.06 2.21 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 0.87 0.00 0.00 0.94 0.00 0.00 124 K 8.67 4.12 0.00 1.98 1.89 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.56 7.81 125 H 7.05 4.72 0.00 3.17 3.12 0.00 5.81 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 0.00 126 G 7.52 4.43 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 0.00 127 K 8.14 4.82 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.54 7.81 128 L 8.44 5.10 0.00 1.61 1.53 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.36 4.36 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 0.92 0.00 0.00 0.94 0.00 0.00 130 M 8.49 5.07 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 131 T 8.08 4.36 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 0.00 132 S 8.77 4.52 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.64 3.78 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 *134 G 8.41 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.