NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4959 8.2993 122.0526 56.4688 35.3987 175.3889 4 V 5.0852 8.2534 116.9337 57.3074 34.2432 173.6779 5 C 4.4127 9.3920 124.9483 59.1958 32.8391 174.8172 6 E 4.0565 8.6429 127.4278 59.6576 29.7946 178.4126 7 I 3.7345 7.6768 118.3729 62.5788 36.5900 176.8386 8 S 4.0286 8.6080 121.7148 60.3622 63.3904 176.6203 9 G 3.8917 8.2032 107.0844 45.1912 0.0000 173.2837 10 K 4.3524 7.7050 119.5250 56.2368 32.9777 176.4133 11 R 5.1861 8.3047 119.1652 53.5359 32.9955 172.8992 12 P 4.9867 0.0000 0.0000 62.9496 31.9676 176.0272 13 I 4.3482 8.3053 117.4670 59.4453 41.0104 174.1025 14 V 4.7411 8.1830 121.6751 61.1164 32.5305 174.4602 15 A 4.8253 8.5328 129.0137 50.0671 22.5197 174.3845 16 N 4.7839 8.7033 118.3449 52.8687 39.5841 175.3873 17 S 4.4090 9.2570 119.6307 57.3275 62.8706 172.7031 18 I 4.5364 8.0851 128.2012 60.0922 37.6203 175.4460 19 Q 4.3654 9.2032 128.1268 55.3895 29.8629 175.7149 20 R 5.2185 8.5765 121.8511 54.4631 33.8896 175.0185 21 R 4.6148 9.6535 120.9064 55.3126 34.3915 174.6753 22 G 4.2270 9.0602 110.5207 44.1046 0.0000 173.6649 23 K 3.9132 8.6642 124.6152 55.7976 32.7897 176.2289 24 A 4.0191 8.6864 129.0887 52.3254 18.7943 178.1006 25 K 3.9505 8.5640 121.5910 59.0792 31.9271 177.5235 26 R 3.8303 7.3398 118.5642 58.8456 30.3476 177.0505 27 E 4.1047 8.1242 119.6394 58.9238 31.6178 178.4425 28 G 3.6309 8.2013 104.7797 44.7332 0.0000 175.0620 29 G 3.7919 8.9992 113.1126 46.4124 0.0000 174.1205 30 V 3.4018 8.9944 117.4557 61.8986 31.3370 173.0207 31 G 3.8786 7.6902 106.9996 44.7965 0.0000 172.2027 32 K 4.6194 8.2690 117.2943 54.6594 33.7813 176.0967 33 K 4.5886 9.2653 123.7060 54.9354 34.5011 175.5858 34 T 4.4433 8.4622 122.1748 63.4204 68.4567 174.6465 35 T 4.0225 8.8340 122.8986 64.7605 67.9877 174.8438 36 G 4.3339 7.8776 106.8514 44.8549 0.0000 171.3881 37 I 5.2428 8.0604 123.4044 59.4423 40.4085 175.0931 38 S 4.6356 8.1758 117.4750 57.0130 66.3457 174.8461 39 K 4.4212 8.8896 122.0300 56.9383 32.9573 175.8569 40 R 4.5376 7.3567 117.2699 56.1519 32.8381 173.2577 41 R 4.8186 8.3991 115.5232 54.5199 33.0009 175.0070 42 Q 4.2884 8.3331 120.4870 54.5806 29.8700 174.9780 43 Y 4.7390 7.9221 121.6523 56.6653 39.2303 174.0999 44 P 4.4738 0.0000 0.0000 62.6416 32.9788 176.6562 45 N 4.8824 8.4584 121.2089 52.8833 37.1121 174.3722 46 L 4.7326 7.6030 119.8732 56.1339 42.3727 178.2738 47 Q 4.7870 9.0162 119.7628 54.6411 33.0254 173.4516 48 K 4.9942 8.7765 118.4620 55.4620 35.1680 176.1050 49 V 4.4605 8.6360 123.6357 61.4576 34.5623 175.4910 50 R 4.7974 8.8686 127.3136 54.5536 32.4537 175.8521 51 V 4.7423 7.5194 126.8230 61.4519 35.0487 169.3083 52 R 3.0948 8.7754 112.5356 58.3286 28.3329 174.8309 53 V 3.0785 9.1685 127.9148 62.3298 30.7246 171.7779 54 A 3.4061 8.3016 133.9944 53.3747 17.2899 178.5846 55 G 3.6432 8.7905 101.9840 49.9856 0.0000 173.9580 56 Q 4.1156 7.8459 118.1922 55.6887 29.2419 176.3428 57 E 3.9505 8.6980 118.9547 56.8030 30.3088 175.3678 58 I 3.0018 7.4951 112.1391 62.1085 35.7451 172.2650 59 T 4.6701 7.9256 121.9340 60.9306 68.8044 173.6115 60 F 4.9914 9.4337 125.7562 55.5899 42.8323 174.5437 61 R 5.3891 9.1213 119.7563 53.3475 29.5052 174.1397 62 V 4.7867 7.7922 122.3125 59.5185 35.5352 175.3279 63 A 4.9414 8.5488 122.2686 51.3945 19.7962 179.3108 64 A 3.5907 9.2092 126.4846 55.1611 19.0060 179.6920 65 S 4.4045 8.0664 108.9092 60.5549 63.4329 174.3081 66 H 4.8111 9.2149 118.1441 54.8837 29.9730 175.0547 67 I 3.7117 7.5401 121.0770 64.3932 37.0597 175.8408 68 P 3.9718 0.0000 0.0000 66.1308 30.4997 177.2775 69 K 4.2245 8.3345 117.3457 57.3981 32.1667 178.2566 70 V 3.6451 8.7567 119.2255 66.1901 31.7505 177.2813 71 Y 3.7949 8.0589 115.9173 60.5439 37.7864 177.5661 72 E 3.9774 8.2268 120.3580 58.9835 29.4736 178.4816 73 L 3.8981 7.2074 117.0390 57.9305 42.1763 179.0288 74 V 3.6925 7.7108 117.8473 66.8636 31.2362 176.9759 75 E 4.0853 8.5149 119.3133 59.0987 29.1472 178.2037 76 R 4.5041 8.7597 116.7842 56.9724 30.7181 177.2165 77 A 4.6036 8.0731 124.6446 54.0202 21.0805 179.8697 78 K 3.6715 7.6532 113.5070 59.2090 32.7516 178.0236 79 G 3.9427 7.2507 109.7743 43.0964 0.0000 173.5576 80 L 4.2860 7.0302 117.7443 53.7014 45.5788 174.2458 81 K 4.1640 8.6669 127.8266 56.1492 31.7901 176.1947 82 L 4.5274 8.0868 125.9574 55.0835 44.8885 172.5361 83 E 4.6278 8.9411 122.1192 55.6661 31.5133 175.0540 84 G 3.8076 9.6175 116.1947 45.7566 0.0000 175.3056 85 L 4.3325 8.4372 125.7442 54.9397 40.1855 179.4604 86 S 5.2867 7.6344 114.2793 55.0060 62.5423 173.0600 87 P 4.1741 0.0000 0.0000 66.4376 31.4532 178.4408 88 K 3.7010 7.8936 119.0555 59.2099 32.3889 178.1739 89 E 3.9171 8.2245 118.3509 59.9553 28.7261 179.2765 90 I 3.6128 7.5846 119.2970 64.1739 36.9628 177.9197 91 K 3.8066 7.1988 120.0710 60.1845 32.0650 177.7504 92 K 3.7740 7.8400 117.7951 60.2630 32.2006 177.6520 93 E 4.1221 8.8393 118.5194 59.3468 29.5059 179.2449 94 L 4.4699 9.1192 120.3440 55.8728 42.5104 176.2508 95 L 3.5597 8.4462 116.7418 56.0409 40.5163 175.8594 *96 K 4.1215 7.8973 124.6530 54.8429 32.3453 179.7027 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 3 K 8.30 4.50 0.00 1.75 1.59 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 4 V 8.25 5.09 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 0.68 0.00 0.00 1.01 0.00 0.00 5 C 9.39 4.41 0.00 2.97 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 6 E 8.64 4.06 0.00 2.19 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 0.00 2.42 2.55 0.00 7 I 7.68 3.73 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.93 0.00 0.00 8 S 8.61 4.03 0.00 3.85 3.48 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 0.00 9 G 8.20 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 10 K 7.71 4.35 0.00 1.68 1.75 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.34 7.81 11 R 8.30 5.19 0.00 1.77 1.85 0.00 3.07 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 12 P 0.00 4.99 0.00 2.02 2.08 0.00 3.77 0.00 0.00 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 13 I 8.31 4.35 1.84 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 1.34 0.70 0.97 0.00 0.00 14 V 8.18 4.74 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 0.78 0.00 0.00 0.90 0.00 0.00 15 A 8.53 4.83 1.17 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 0.00 0.00 16 N 8.70 4.78 0.00 2.61 2.75 0.00 0.00 6.88 7.57 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 17 S 9.26 4.41 0.00 3.83 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 18 I 8.09 4.54 1.86 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 1.34 0.85 0.91 0.00 0.00 19 Q 9.20 4.37 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 20 R 8.58 5.22 0.00 1.64 1.78 0.00 3.14 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 21 R 9.65 4.61 0.00 1.67 1.76 0.00 3.10 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 22 G 9.06 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 23 K 8.66 3.91 0.00 1.73 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 A 8.69 4.02 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.56 3.95 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 26 R 7.34 3.83 0.00 1.81 1.81 0.00 3.31 0.00 0.00 3.22 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 E 8.12 4.10 0.00 1.99 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 2.32 2.33 0.00 28 G 8.20 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 29 G 9.00 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 0.00 0.00 0.00 30 V 8.99 3.40 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 0.76 0.00 0.00 0.93 0.00 0.00 31 G 7.69 3.88 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 0.00 0.00 0.00 32 K 8.27 4.62 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 33 K 9.27 4.59 0.00 1.58 1.70 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.53 7.81 34 T 8.46 4.44 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 35 T 8.83 4.02 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 1.26 0.00 0.00 36 G 7.88 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 0.00 0.00 0.00 0.00 37 I 8.06 5.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.91 0.00 0.00 38 S 8.18 4.64 0.00 3.69 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 39 K 8.89 4.42 0.00 1.65 1.79 0.00 1.82 0.00 0.00 1.96 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 40 R 7.36 4.54 0.00 1.75 1.97 0.00 2.68 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 41 R 8.40 4.82 0.00 1.57 1.73 0.00 3.16 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.00 42 Q 8.33 4.29 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 43 Y 7.92 4.74 0.00 2.89 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 44 P 0.00 4.47 0.00 2.09 2.00 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 45 N 8.46 4.88 0.00 2.84 2.75 0.00 0.00 6.85 6.66 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 46 L 7.60 4.73 0.00 1.87 1.67 0.95 0.60 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 47 Q 9.02 4.79 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 48 K 8.78 4.99 0.00 1.61 1.72 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.48 7.81 49 V 8.64 4.46 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 1.16 0.00 0.00 1.04 0.00 0.00 50 R 8.87 4.80 0.00 1.77 1.89 0.00 3.43 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 V 7.52 4.74 1.81 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 0.61 0.00 0.00 0.73 0.00 0.00 52 R 8.78 3.09 0.00 1.93 1.85 0.00 3.13 0.00 0.00 3.16 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 53 V 9.17 3.08 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 0.76 0.00 0.00 0.94 0.00 0.00 54 A 8.30 3.41 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.79 3.64 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 0.00 0.00 0.00 56 Q 7.85 4.12 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 E 8.70 3.95 0.00 1.97 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 2.31 2.27 0.00 58 I 7.50 3.00 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.49 0.91 0.00 0.00 59 T 7.93 4.67 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 1.15 0.00 0.00 60 F 9.43 4.99 0.00 3.09 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 61 R 9.12 5.39 0.00 1.88 1.81 0.00 3.30 0.00 0.00 3.33 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 62 V 7.79 4.79 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 0.89 0.00 0.00 0.92 0.00 0.00 63 A 8.55 4.94 1.27 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 0.00 0.00 0.00 64 A 9.21 3.59 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 0.00 0.00 65 S 8.07 4.40 0.00 4.03 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 66 H 9.21 4.81 0.00 3.07 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.54 3.71 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.97 0.00 0.00 68 P 0.00 3.97 0.00 2.23 2.30 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 69 K 8.33 4.22 0.00 1.85 1.97 0.00 1.55 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.44 1.46 7.81 70 V 8.76 3.65 2.26 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 0.54 0.00 0.00 0.70 0.00 0.00 71 Y 8.06 3.79 0.00 3.10 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 72 E 8.23 3.98 0.00 2.14 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 2.31 2.49 0.00 73 L 7.21 3.90 0.00 1.84 1.68 0.72 0.92 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 74 V 7.71 3.69 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 0.94 0.00 0.00 0.83 0.00 0.00 75 E 8.51 4.09 0.00 2.22 2.04 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 2.33 2.38 0.00 76 R 8.76 4.50 0.00 1.96 2.01 0.00 3.07 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 77 A 8.07 4.60 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 78 K 7.65 3.67 0.00 1.83 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.59 7.81 79 G 7.25 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 80 L 7.03 4.29 0.00 1.74 1.53 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.67 4.16 0.00 1.76 1.73 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.63 1.42 7.81 82 L 8.09 4.53 0.00 1.70 1.60 0.93 1.19 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 83 E 8.94 4.63 0.00 1.89 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 2.20 2.35 0.00 84 G 9.62 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 0.00 0.00 0.00 85 L 8.44 4.33 0.00 1.64 1.68 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.63 5.29 0.00 3.93 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 87 P 0.00 4.17 0.00 2.23 2.44 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 88 K 7.89 3.70 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 89 E 8.22 3.92 0.00 2.02 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 2.40 2.42 0.00 90 I 7.58 3.61 1.83 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 1.69 1.05 0.90 0.00 0.00 91 K 7.20 3.81 0.00 1.71 1.92 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.28 0.73 7.81 92 K 7.84 3.77 0.00 1.77 1.98 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.56 7.81 93 E 8.84 4.12 0.00 2.27 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 2.49 0.00 94 L 9.12 4.47 0.00 1.80 1.92 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.45 3.56 0.00 1.73 1.72 0.99 0.07 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 *96 K 7.90 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.