NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6650 8.2493 122.4896 52.6272 20.4439 174.9344 2 W 4.5610 8.0523 111.9147 55.4045 31.5818 168.0662 3 V 4.5489 8.8416 120.4656 61.2463 33.9007 175.9111 4 D 4.8592 8.5433 127.2936 52.7227 42.3011 173.9720 5 Q 5.2831 8.3304 126.0994 54.1692 31.4720 174.8168 6 T 4.7124 8.0539 120.1943 62.1308 73.1443 172.0218 7 P 4.8448 0.0000 0.0000 62.1273 32.7881 176.1298 8 R 4.6100 8.4015 116.2776 58.0891 31.2226 176.7200 9 T 4.8245 7.6011 108.3230 60.4083 71.9095 173.2823 10 A 4.3452 8.6927 126.3799 50.7056 21.9132 174.7112 11 T 5.4758 8.3216 118.3446 61.1945 65.9384 174.2560 12 K 4.5508 7.9518 126.8816 55.2348 35.1202 174.5471 13 E 5.0382 8.5228 117.8326 54.5644 33.5116 175.2518 14 T 4.2221 8.3462 116.7069 65.1563 68.0588 173.9001 15 G 4.0209 9.4227 113.9967 45.6042 0.0000 173.5497 16 E 4.3645 7.8667 118.6640 55.9434 31.2864 175.6993 17 S 5.0841 8.3649 114.4327 56.5760 66.7110 173.0289 18 L 4.6759 8.5267 120.9939 53.5044 45.1837 175.0320 19 T 4.9360 8.5060 122.3902 61.9496 70.4796 173.6007 20 I 4.4473 8.3208 128.2909 60.4517 39.2871 174.9559 21 N 5.2923 9.3611 123.4315 51.7505 41.8222 172.7617 22 C 5.7852 9.1340 121.3936 54.2686 43.4852 173.4394 23 V 4.9827 7.6372 120.4971 59.8034 34.6264 173.9768 24 L 4.4698 8.9570 127.6498 54.9782 41.9085 176.0278 25 R 4.2440 8.6044 126.1860 54.6275 32.8037 176.1442 26 D 4.0788 8.3315 119.0826 55.6157 38.7499 173.7454 27 A 4.4843 7.4950 119.8478 49.8868 21.2812 177.5743 28 S 4.1429 8.4937 118.0606 60.5298 63.4843 174.2418 29 Y 4.5888 6.7439 118.1850 55.4210 39.6146 175.8134 30 G 3.9379 8.2994 109.3751 44.7835 0.0000 171.8905 31 L 4.6519 8.3158 121.2137 53.8273 44.3308 174.7728 32 E 4.7164 7.6585 124.4864 55.8754 31.6625 178.9427 33 S 4.4612 9.1242 111.7763 58.8497 63.3494 171.0944 34 T 5.4345 7.4684 112.4134 59.3575 72.3043 173.0417 35 G 4.2259 7.9560 105.1786 45.3944 0.0000 172.4155 36 W 5.4463 8.2483 122.2598 54.8772 33.6286 174.2093 37 Y 5.0761 8.9712 119.6477 56.5348 41.5928 175.0098 38 R 3.9937 8.7090 124.9531 56.1897 31.8712 175.3125 39 T 4.3807 7.9071 118.0839 59.6598 70.2071 172.8639 40 K 4.0502 8.6387 131.4209 56.2359 33.4094 174.3896 41 L 3.9942 8.0077 130.6189 58.3806 41.7668 175.2399 42 G 3.6592 8.2524 121.5643 45.1790 0.0000 172.1893 43 S 4.7944 7.5815 113.9040 56.3254 65.6655 173.5028 44 T 4.0838 8.2098 113.9856 63.0883 67.8311 172.9721 45 N 4.1279 8.2098 119.1459 53.8445 38.5651 172.9934 46 E 4.5512 8.8432 127.1877 54.8673 31.0271 175.4005 47 Q 4.7832 8.7212 124.6378 54.2354 31.5110 175.0155 48 T 4.1624 8.9397 119.6046 64.4548 69.2392 173.3009 49 I 3.9966 8.1110 126.6700 60.2977 38.5168 176.1758 50 S 4.4128 8.2984 123.3487 56.5030 62.2348 173.7133 51 I 3.6418 8.3098 126.3697 60.6075 37.1966 176.3964 52 G 4.3740 8.7263 118.6810 46.0250 0.0000 175.7012 53 G 3.9103 8.2978 112.3688 46.5853 0.0000 175.6142 54 R 3.9673 8.9099 124.5451 58.7594 31.3047 175.1815 55 Y 4.8728 7.8898 117.5710 57.0486 39.6957 175.2571 56 V 4.4239 8.8362 123.9817 59.9877 34.3700 173.9785 57 E 5.0834 8.8718 126.4916 54.6999 31.6177 174.9827 58 T 4.6680 9.0808 122.5319 61.8027 72.0721 172.8612 59 V 4.6227 8.6694 126.4653 61.3826 33.6653 175.4468 60 N 5.0692 9.2942 127.6444 51.1673 38.1105 173.7666 61 K 4.2746 8.1277 120.9429 57.5591 34.0587 176.8808 62 G 4.2243 8.9659 114.4538 46.4955 0.0000 174.9985 63 S 4.5586 8.0450 111.4395 56.5456 63.3688 173.6316 64 K 3.9166 8.0177 118.1139 57.7171 29.8732 173.8347 65 S 5.4620 8.1989 114.3325 57.2747 65.0873 173.4141 66 F 5.6774 8.7449 117.3074 55.6769 41.9215 172.9619 67 S 5.1111 8.6837 110.6569 57.5458 65.8774 173.5697 68 L 4.5962 8.1817 127.6284 53.0993 44.6773 174.8705 69 R 4.8145 8.5675 127.7511 55.1476 31.8899 174.8835 70 I 4.4769 8.6593 128.4046 59.9780 38.5135 175.4461 71 R 4.3557 8.5167 127.1222 55.4567 31.4794 176.1739 72 D 4.4782 8.4111 117.6001 53.8791 39.0957 172.4794 73 L 4.1391 8.9820 121.6698 54.4557 42.6698 177.5573 74 R 4.7827 8.7380 122.3334 54.2467 32.5111 177.7366 75 V 3.6275 8.1881 118.4048 66.0456 31.6621 177.7101 76 E 4.0559 8.3179 118.2079 59.2397 29.3400 177.6871 77 D 4.7237 7.5697 116.9550 55.4576 41.4917 177.1636 78 S 4.3874 8.2021 116.7859 57.9293 63.5661 174.7505 79 G 3.9883 7.5135 110.8702 46.2185 0.0000 170.1073 80 T 5.1036 7.3058 116.9607 62.1770 71.0601 173.1311 81 Y 5.0193 9.1132 124.9411 56.4742 40.3541 175.1913 82 K 5.3395 9.2526 122.7071 54.8270 36.4013 173.2735 83 C 4.6020 8.6416 118.0332 53.8180 39.6285 172.6724 84 G 4.3970 8.7480 105.6563 44.5152 0.0000 171.2276 85 A 5.0196 8.4268 126.5130 50.0547 21.5706 175.6271 86 F 5.1433 8.9946 120.6788 55.9178 42.6633 176.8320 87 R 3.7343 8.7346 120.8466 58.6506 30.1966 177.0285 *99 L 4.0169 7.5419 120.8319 54.9477 40.3123 176.1682 100 S 3.2906 8.4066 118.9398 58.3647 63.1650 173.1972 101 E 4.6983 8.2150 122.1510 54.6131 32.8023 174.1980 102 K 5.2053 7.9948 121.6984 53.1375 34.2081 176.2709 103 G 3.9315 8.6398 110.5569 46.2525 0.0000 173.7808 104 A 3.9136 8.6909 121.7194 52.2744 18.8928 178.6851 105 G 4.6185 7.9776 101.3740 45.3384 0.0000 173.1443 106 T 4.6257 8.3331 114.4203 61.7385 71.3544 173.9199 107 V 4.6553 8.4376 127.8827 61.8457 31.5078 173.8066 108 L 5.3226 9.0642 129.2970 53.9634 44.0086 175.2976 109 T 4.9859 8.4528 121.1418 61.8815 72.4416 172.6543 110 V 4.8529 8.1295 126.0994 60.7816 33.9841 175.4143 111 K 4.1499 8.7583 127.2955 57.0372 33.0606 174.6139 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 A 8.25 4.67 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 2 W 8.05 4.56 0.00 3.45 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 3 V 8.84 4.55 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 0.72 0.00 0.00 1.05 0.00 0.00 4 D 8.54 4.86 0.00 1.97 2.23 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 5 Q 8.33 5.28 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 6 T 8.05 4.71 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 1.21 0.00 0.00 7 P 0.00 4.84 0.00 2.35 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 8 R 8.40 4.61 0.00 1.87 2.04 0.00 3.24 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 9 T 7.60 4.82 4.27 0.00 0.00 0.00 0.00 0.00 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 10 A 8.69 4.35 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 11 T 8.32 5.48 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 1.22 0.00 0.00 12 K 7.95 4.55 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.94 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.33 7.81 13 E 8.52 5.04 0.00 1.98 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 2.19 2.29 0.00 14 T 8.35 4.22 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 1.20 0.00 0.00 15 G 9.42 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 16 E 7.87 4.36 0.00 2.07 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 2.30 2.36 0.00 17 S 8.36 5.08 0.00 3.87 3.74 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 18 L 8.53 4.68 0.00 1.58 1.31 0.63 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.94 4.19 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 1.16 0.00 0.00 20 I 8.32 4.45 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 1.17 0.00 0.00 21 N 9.36 5.29 0.00 2.58 2.65 0.00 0.00 6.70 7.29 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 22 C 9.13 5.79 0.00 1.23 1.92 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 23 V 7.64 4.98 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 0.57 0.00 0.00 0.88 0.00 0.00 24 L 8.96 4.47 0.00 1.70 1.60 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.60 4.24 0.00 0.67 0.97 0.00 3.24 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 26 D 8.33 4.08 0.00 2.97 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 27 A 7.50 4.48 0.59 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 0.00 0.00 28 S 8.49 4.14 0.00 4.01 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 29 Y 6.74 4.59 0.00 3.11 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 30 G 8.30 3.94 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 0.00 0.00 0.00 31 L 8.32 4.65 0.00 1.61 1.55 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.66 4.72 0.00 2.05 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 2.37 2.25 0.00 33 S 9.12 4.46 0.00 3.87 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 34 T 7.47 5.43 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 0.60 0.00 0.00 35 G 7.96 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 W 8.25 5.45 0.00 3.16 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 37 Y 8.97 5.08 0.00 3.06 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 38 R 8.71 3.99 0.00 1.85 1.70 0.00 3.28 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.00 39 T 7.91 4.38 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 1.24 0.00 0.00 40 K 8.64 4.05 0.00 1.88 1.68 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.46 7.81 41 L 8.01 3.99 0.00 1.75 1.75 0.95 1.35 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 42 G 8.25 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.58 4.79 0.00 3.96 3.84 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 44 T 8.21 4.08 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 45 N 8.21 4.13 0.00 2.72 2.79 0.00 0.00 6.92 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 46 E 8.84 4.55 0.00 2.01 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 2.54 2.17 0.00 47 Q 8.72 4.78 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 48 T 8.94 4.16 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 1.06 0.00 0.00 49 I 8.11 4.00 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.46 0.25 0.00 0.00 50 S 8.30 4.41 0.00 3.80 3.81 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 51 I 8.31 3.64 1.88 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 1.38 0.80 0.92 0.00 0.00 52 G 8.73 4.37 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 53 G 8.30 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 54 R 8.91 3.97 0.00 1.36 1.71 0.00 3.02 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 55 Y 7.89 4.87 0.00 2.80 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 56 V 8.84 4.42 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 0.79 0.00 0.00 0.90 0.00 0.00 57 E 8.87 5.08 0.00 1.93 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 2.49 2.62 0.00 58 T 9.08 4.67 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 1.24 0.00 0.00 59 V 8.67 4.62 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 0.88 0.00 0.00 1.07 0.00 0.00 60 N 9.29 5.07 0.00 2.68 2.75 0.00 0.00 6.32 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 61 K 8.13 4.27 0.00 1.87 1.82 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 62 G 8.97 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 63 S 8.04 4.56 0.00 3.98 3.96 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 64 K 8.02 3.92 0.00 1.92 1.95 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 65 S 8.20 5.46 0.00 3.82 3.79 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 66 F 8.74 5.68 0.00 3.31 3.04 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 67 S 8.68 5.11 0.00 3.92 3.75 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 68 L 8.18 4.60 0.00 0.27 0.13 0.52 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.57 4.81 0.00 1.85 1.69 0.00 3.07 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 70 I 8.66 4.48 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.45 0.00 0.00 71 R 8.52 4.36 0.00 1.55 1.76 0.00 3.48 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 72 D 8.41 4.48 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 73 L 8.98 4.14 0.00 1.71 1.55 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.74 4.78 0.00 2.02 1.84 0.00 3.12 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 75 V 8.19 3.63 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 1.01 0.00 0.00 0.94 0.00 0.00 76 E 8.32 4.06 0.00 2.02 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 0.00 2.35 2.33 0.00 77 D 7.57 4.72 0.00 2.85 2.89 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 78 S 8.20 4.39 0.00 3.95 3.87 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 79 G 7.51 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 80 T 7.31 5.10 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 1.27 0.00 0.00 81 Y 9.11 5.02 0.00 3.07 3.18 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 82 K 9.25 5.34 0.00 1.82 1.72 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.44 7.81 83 C 8.64 4.60 0.00 1.95 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 84 G 8.75 4.40 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 0.00 85 A 8.43 5.02 1.16 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 0.00 0.00 86 F 8.99 5.14 0.00 2.85 2.91 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 87 R 8.73 3.73 0.00 1.59 1.83 0.00 2.38 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.23 0.00 *99 L 7.54 4.02 0.00 1.75 1.74 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.41 3.29 0.00 3.77 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 0.00 101 E 8.22 4.70 0.00 2.06 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 2.13 2.31 0.00 102 K 7.99 5.21 0.00 1.56 1.67 0.00 1.70 0.00 0.00 0.81 0.00 0.00 2.60 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 1.09 7.81 103 G 8.64 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 0.00 104 A 8.69 3.91 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 0.00 105 G 7.98 4.62 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 0.00 0.00 0.00 106 T 8.33 4.63 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 1.32 0.00 0.00 107 V 8.44 4.66 2.14 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 0.96 0.00 0.00 0.99 0.00 0.00 108 L 9.06 5.32 0.00 1.87 1.95 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.45 4.99 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 110 V 8.13 4.85 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 1.12 0.00 0.00 0.99 0.00 0.00 111 K 8.76 4.15 0.00 1.91 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.