NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.3918 8.3716 117.5209 53.1315 39.7072 172.8089 3 L 3.9567 8.5588 123.2365 53.9207 42.2944 175.6518 4 P 4.5326 0.0000 0.0000 62.4706 33.1322 176.2595 5 T 4.1643 8.8462 111.8391 61.1362 70.8973 175.4412 6 A 4.0619 8.4761 122.2532 55.5072 18.3614 179.8132 7 Q 3.9081 7.9571 115.9245 59.2055 28.8085 178.7359 8 E 3.9031 8.0165 119.5926 59.0855 29.3426 179.3970 9 V 3.0975 8.1189 118.7249 65.9828 31.5452 178.0341 10 Q 4.0562 8.0033 117.7401 58.9974 28.4974 179.2137 11 G 3.5791 7.8749 106.2688 47.7627 0.0000 175.7843 12 L 3.9626 8.1158 121.9102 57.8277 41.7348 179.5918 13 M 4.1559 8.4173 118.8202 58.2502 31.8648 178.7004 14 A 4.0402 8.1645 121.0979 54.9890 18.4606 179.6753 15 R 3.7946 8.3201 117.5983 59.5701 30.1537 177.8189 16 Y 4.0524 8.3220 119.7565 61.1257 38.6242 178.5212 17 I 3.4581 7.7365 119.9667 64.2738 37.1601 178.1940 18 E 3.9004 8.2997 119.5235 59.5072 29.2748 179.4657 19 L 3.9733 7.9315 119.0211 57.2802 41.4244 179.5538 20 V 3.4056 7.2414 117.7092 65.9516 31.5047 177.1428 21 D 4.4470 7.9387 116.5855 57.6180 41.1437 178.4125 22 V 3.8594 7.7262 111.3655 61.8961 31.7383 176.6683 23 G 3.7071 7.9470 106.0808 46.7848 0.0000 174.5380 24 D 4.5730 7.7910 120.4097 52.3814 40.2438 175.4595 25 I 3.6545 7.9323 126.3856 64.1724 37.4941 177.4851 26 E 3.9543 8.2208 118.5770 59.5030 29.0786 179.2505 27 A 4.0532 8.0116 119.6928 54.9521 18.7472 179.4777 28 I 3.7385 7.8982 118.6285 64.5451 37.1428 178.8134 29 V 3.8042 8.1140 119.4415 66.0322 31.1702 177.6491 30 Q 4.1816 8.0013 117.8255 58.6306 29.1841 177.4842 31 M 4.2248 8.1747 119.5470 57.2146 32.0705 175.9134 32 Y 4.5174 7.2059 115.9329 56.5772 39.4326 175.3248 33 A 4.2985 8.9416 126.1271 51.9821 19.3386 178.7729 34 D 4.5008 8.8271 119.4597 55.6203 39.5793 177.5675 35 D 4.7553 7.8742 117.3749 52.5569 39.9407 175.6842 36 A 4.5076 7.7588 121.7174 53.2808 19.9184 177.2839 37 T 4.9905 8.6127 108.9120 59.8052 72.1426 173.2408 38 V 4.7690 8.3663 123.1866 61.1858 34.6937 173.9221 39 E 4.7014 9.2284 128.1516 54.9054 31.3828 175.2565 40 N 5.1804 8.2647 124.9264 51.6386 40.9229 172.1303 41 P 4.4554 0.0000 0.0000 61.8031 33.0508 175.4571 42 F 3.9878 8.5422 124.3625 59.8061 38.9676 174.8663 43 G 3.6199 7.8173 113.3921 45.4941 0.0000 173.7921 44 Q 4.3783 7.0956 117.8231 53.2739 30.4926 173.7903 45 P 4.2759 0.0000 0.0000 61.9511 31.9446 174.9927 46 P 4.6692 0.0000 0.0000 62.7870 32.2062 175.6561 47 I 4.5658 8.5511 116.4320 59.5936 40.4146 173.8557 48 H 5.0917 9.1987 123.4316 55.6504 32.4163 174.2543 49 G 4.1434 9.1810 110.9440 45.8537 0.0000 174.5381 50 R 3.9143 8.5312 119.4377 58.8984 29.9697 179.3109 51 E 3.9228 8.1271 118.6312 59.5282 29.7567 178.7832 52 Q 4.0508 8.0278 117.5409 58.9584 28.8377 178.7328 53 I 3.6647 7.9760 120.6721 64.2614 37.0553 178.1510 54 A 4.1565 8.5528 121.8566 55.3438 18.2724 179.4998 55 A 3.9720 8.1516 119.1283 55.1628 18.4549 179.5946 56 F 3.9337 8.4614 119.1484 61.8120 39.5580 177.0792 57 Y 3.8192 8.2212 116.3031 60.9061 37.4183 178.4036 58 R 4.0276 8.2933 119.5595 59.3141 30.2605 178.1912 59 Q 4.2203 7.8542 116.5846 58.7491 28.9207 178.1371 60 G 3.3935 7.6639 107.0154 45.5107 0.0000 173.7661 61 L 4.4241 7.6960 120.5259 52.5259 43.3484 176.0099 *65 K 4.0010 8.3769 122.9070 56.2355 32.6602 174.7979 66 V 4.7321 8.2546 125.4026 61.1685 34.4823 174.5993 67 R 5.0658 8.7848 125.1475 54.6486 33.4711 174.7484 68 A 5.3722 9.4944 123.2709 51.0186 22.6083 175.4221 69 C 4.8311 9.1727 115.4499 56.4342 33.5866 173.5224 70 L 4.7299 8.7050 120.9900 55.2313 41.8178 177.1024 71 T 4.4943 8.5933 112.2411 60.3880 69.0302 173.6948 72 G 3.9419 7.3276 110.0747 45.1612 0.0000 171.1948 73 P 4.4697 0.0000 0.0000 62.0413 32.0080 176.2032 74 V 3.8951 8.1896 120.1308 63.2325 32.3532 175.2552 75 R 4.5922 9.1583 127.3998 54.7988 31.5180 175.1158 76 A 5.2291 8.5991 125.9006 50.1753 21.8564 175.6811 77 S 4.5063 8.7750 116.1502 57.2133 65.6686 173.7637 78 H 4.8791 8.5937 114.7226 55.7144 28.4616 175.2301 79 N 4.9405 7.9900 117.0924 52.6588 37.6010 175.0192 80 G 3.9381 8.5377 104.3867 47.4826 0.0000 173.2367 81 C 5.4730 7.6227 115.7553 58.0615 32.6448 172.8364 82 G 4.4496 8.8070 106.3560 45.9908 0.0000 171.8341 83 A 5.5296 9.1003 121.0086 50.5398 23.0521 175.3027 84 M 5.2454 9.1571 117.5005 53.1958 35.3378 172.0649 85 P 5.5111 0.0000 0.0000 61.7542 34.1957 174.0177 86 F 5.4883 8.9171 116.5485 56.1524 42.2427 172.5251 87 R 4.9314 9.1925 118.7487 54.4598 33.3258 173.8208 88 V 4.9962 8.7372 125.7589 61.1860 34.4166 173.7939 89 E 5.2302 9.1982 127.7623 55.0401 32.4036 175.0890 90 M 4.9411 8.9757 120.3578 54.5286 35.3946 173.1090 91 V 4.8467 8.3170 117.6453 61.0986 34.2704 175.8439 92 W 5.0382 8.9517 135.0000 55.5057 31.3580 173.3832 93 N 3.9544 8.2434 122.2370 53.1537 33.8269 176.5267 94 G 3.8841 7.7272 103.1975 46.0772 0.0000 172.2908 95 Q 4.5318 7.7399 120.3129 53.7429 29.8776 173.8446 96 P 5.0405 0.0000 0.0000 63.4629 32.3224 175.0848 97 C 4.9405 9.2865 115.4119 57.6305 33.5930 172.1841 98 A 5.2097 9.1537 120.5491 50.1037 22.7566 174.8337 99 L 4.9801 8.7137 120.9880 53.4011 45.4163 174.9720 100 D 5.0396 8.6788 126.6040 53.3802 41.9930 176.2073 101 V 4.6807 8.4048 122.2932 61.1603 35.9069 173.7420 102 I 5.5375 8.5033 125.7904 58.8941 39.6609 174.2162 103 D 5.5316 9.2447 126.6621 53.0366 43.2920 175.3332 104 V 4.8310 9.0118 123.0318 61.5077 34.0165 174.3161 105 M 5.1649 9.2556 126.8748 53.4429 36.3300 174.0990 106 R 4.9529 8.6222 122.7950 54.6710 32.6095 174.9144 107 F 5.0617 9.4131 125.6356 56.3947 41.1510 175.3875 108 D 4.8269 8.9682 121.9039 51.6790 41.5857 176.8330 109 E 4.1844 8.5353 115.2253 58.3656 29.5837 177.3861 110 H 4.6546 8.3060 115.6322 55.3599 29.3961 175.1825 111 G 3.9459 8.3540 107.6442 45.9776 0.0000 173.7719 112 R 4.8016 8.7923 118.5960 53.9493 32.3652 175.6285 113 I 3.4443 8.4302 122.4832 61.5123 37.4572 176.6340 114 Q 4.2223 9.1021 130.1055 58.1915 30.3649 175.6355 115 T 5.2515 7.5216 107.3373 60.1081 72.7279 172.5726 116 M 5.1584 9.0034 122.6728 53.9770 36.2356 173.7753 117 Q 5.0464 9.3324 124.1377 54.1224 32.4317 174.1848 118 A 5.4603 9.0361 127.1842 49.7734 21.1280 175.1225 119 Y 4.6286 9.5339 121.9348 58.1947 38.9651 175.3102 120 W 4.8872 7.9908 119.8624 56.6904 30.5490 173.8881 121 S 4.4484 8.6887 114.7725 57.0361 65.7674 174.1176 122 E 4.1315 8.9313 118.0451 60.0124 29.1851 179.6926 123 V 3.7973 7.4536 109.5902 63.5299 31.8272 176.2832 124 N 4.8704 8.6328 117.0867 52.9033 39.6169 174.0638 125 L 5.0783 7.8404 121.6972 53.8095 43.8892 175.9258 126 S 4.7146 9.0383 120.7444 56.7340 67.2316 174.5811 127 V 3.9114 8.4795 122.3471 63.1397 31.3632 175.5046 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 2 N 8.37 5.39 0.00 2.72 2.87 0.00 0.00 6.87 6.97 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 3 L 8.56 3.96 0.00 1.66 1.60 1.02 0.60 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 4 P 0.00 4.53 0.00 1.94 1.79 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 5 T 8.85 4.16 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 1.19 0.00 0.00 6 A 8.48 4.06 1.24 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 0.00 0.00 7 Q 7.96 3.91 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.02 3.90 0.00 2.14 1.85 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 2.26 2.25 0.00 9 V 8.12 3.10 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 1.13 0.00 0.00 0.77 0.00 0.00 10 Q 8.00 4.06 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 11 G 7.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.96 0.00 1.35 1.60 0.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.42 4.16 0.00 2.08 2.19 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 2.90 2.78 0.00 14 A 8.16 4.04 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 15 R 8.32 3.79 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 Y 8.32 4.05 0.00 3.04 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 17 I 7.74 3.46 1.96 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.68 0.88 0.00 0.00 18 E 8.30 3.90 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 2.48 2.48 0.00 19 L 7.93 3.97 0.00 1.60 1.56 0.87 0.62 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 20 V 7.24 3.41 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 0.80 0.00 0.00 0.25 0.00 0.00 21 D 7.94 4.45 0.00 2.88 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 22 V 7.73 3.86 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 0.75 0.00 0.00 0.98 0.00 0.00 23 G 7.95 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 24 D 7.79 4.57 0.00 2.69 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 25 I 7.93 3.65 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.98 0.00 0.00 26 E 8.22 3.95 0.00 2.01 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 2.42 2.40 0.00 27 A 8.01 4.05 1.37 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 28 I 7.90 3.74 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.89 0.28 0.00 0.00 29 V 8.11 3.80 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 1.11 0.00 0.00 1.08 0.00 0.00 30 Q 8.00 4.18 0.00 2.20 2.29 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 2.39 2.47 0.00 31 M 8.17 4.22 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 32 Y 7.21 4.52 0.00 3.24 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 33 A 8.94 4.30 1.29 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 0.00 0.00 0.00 34 D 8.83 4.50 0.00 2.87 2.98 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 35 D 7.87 4.76 0.00 2.90 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 36 A 7.76 4.51 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 4.99 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 1.07 0.00 0.00 38 V 8.37 4.77 1.83 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 0.61 0.00 0.00 0.66 0.00 0.00 39 E 9.23 4.70 0.00 1.98 1.79 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 2.14 2.18 0.00 40 N 8.26 5.18 0.00 2.63 2.38 0.00 0.00 7.27 7.69 0.00 0.00 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 P 0.00 4.46 0.00 1.35 0.49 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.00 42 F 8.54 3.99 0.00 2.25 2.33 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 43 G 7.82 3.62 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 44 Q 7.10 4.38 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 45 P 0.00 4.28 0.00 1.97 1.92 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 46 P 0.00 4.67 0.00 1.89 1.93 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 47 I 8.55 4.57 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.69 0.83 0.00 0.00 48 H 9.20 5.09 0.00 3.10 3.15 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.18 4.14 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 0.00 0.00 0.00 50 R 8.53 3.91 0.00 1.92 2.04 0.00 3.18 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 51 E 8.13 3.92 0.00 2.05 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 0.00 2.40 2.42 0.00 52 Q 8.03 4.05 0.00 2.34 2.13 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 2.46 2.46 0.00 53 I 7.98 3.66 1.77 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 1.16 0.92 0.67 0.00 0.00 54 A 8.55 4.16 1.44 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 55 A 8.15 3.97 1.43 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 56 F 8.46 3.93 0.00 3.11 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 57 Y 8.22 3.82 0.00 3.18 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 58 R 8.29 4.03 0.00 1.94 1.98 0.00 3.27 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 59 Q 7.85 4.22 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 60 G 7.66 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.42 0.00 1.70 1.60 1.02 0.92 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 *65 K 8.38 4.00 0.00 1.74 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 8.25 4.73 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 0.91 0.00 0.00 0.93 0.00 0.00 67 R 8.78 5.07 0.00 1.80 1.79 0.00 3.18 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 9.49 5.37 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 69 C 9.17 4.83 0.00 3.02 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 70 L 8.71 4.73 0.00 1.60 1.88 0.95 0.98 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 71 T 8.59 4.49 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 1.31 0.00 0.00 72 G 7.33 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 73 P 0.00 4.47 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 74 V 8.19 3.90 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 0.96 0.00 0.00 75 R 9.16 4.59 0.00 1.96 1.83 0.00 3.23 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 76 A 8.60 5.23 1.15 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 0.00 0.00 77 S 8.78 4.51 0.00 3.82 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 78 H 8.59 4.88 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.99 4.94 0.00 2.82 2.86 0.00 0.00 6.88 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 80 G 8.54 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 81 C 7.62 5.47 0.00 2.87 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 82 G 8.81 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 83 A 9.10 5.53 1.18 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 84 M 9.16 5.25 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 85 P 0.00 5.51 0.00 2.18 2.24 0.00 3.91 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 2.16 1.98 0.00 86 F 8.92 5.49 0.00 3.22 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 87 R 9.19 4.93 0.00 1.87 1.79 0.00 3.05 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 88 V 8.74 5.00 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 1.08 0.00 0.00 1.11 0.00 0.00 89 E 9.20 5.23 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 2.23 2.22 0.00 90 M 8.98 4.94 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 91 V 8.32 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 0.83 0.00 0.00 0.95 0.00 0.00 92 W 8.95 5.04 0.00 3.12 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 93 N 8.24 3.95 0.00 2.31 2.64 0.00 0.00 6.90 7.58 0.00 0.00 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 G 7.73 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 95 Q 7.74 4.53 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 96 P 0.00 5.04 0.00 2.09 2.07 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 97 C 9.29 4.94 0.00 3.16 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 98 A 9.15 5.21 1.19 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 0.00 0.00 0.00 99 L 8.71 4.98 0.00 1.41 1.19 0.64 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.68 5.04 0.00 2.59 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 0.00 101 V 8.40 4.68 0.67 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 1.20 0.00 0.00 0.55 0.00 0.00 102 I 8.50 5.54 1.93 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 1.40 1.22 0.92 0.00 0.00 103 D 9.24 5.53 0.00 2.82 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 0.00 104 V 9.01 4.83 2.18 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 1.05 0.00 0.00 0.94 0.00 0.00 105 M 9.26 5.16 0.00 1.33 1.79 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 106 R 8.62 4.95 0.00 1.82 1.68 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 107 F 9.41 5.06 0.00 3.03 2.99 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 0.00 108 D 8.97 4.83 0.00 2.87 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 0.00 109 E 8.54 4.18 0.00 2.05 2.19 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 1.99 2.15 0.00 110 H 8.31 4.65 0.00 3.33 3.37 0.00 5.76 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 0.00 111 G 8.35 3.95 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 0.00 0.00 0.00 112 R 8.79 4.80 0.00 2.03 1.94 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 113 I 8.43 3.44 1.06 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.35 0.48 0.00 0.00 114 Q 9.10 4.22 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 115 T 7.52 5.25 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 0.00 116 M 9.00 5.16 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 117 Q 9.33 5.05 0.00 1.95 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 118 A 9.04 5.46 1.62 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 0.00 119 Y 9.53 4.63 0.00 3.08 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 0.00 120 W 7.99 4.89 0.00 3.37 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 S 8.69 4.45 0.00 3.93 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 0.00 122 E 8.93 4.13 0.00 2.13 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 0.00 2.43 2.50 0.00 123 V 7.45 3.80 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.63 4.87 0.00 3.01 3.02 0.00 0.00 6.39 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 0.00 125 L 7.84 5.08 0.00 1.61 1.65 0.79 0.42 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 0.00 126 S 9.04 4.71 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 3.91 2.16 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 0.86 0.00 0.00 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.