NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4618 8.2985 118.9451 56.0652 31.3880 174.8811 3 A 4.4697 8.7118 124.7803 51.1693 19.4010 171.2473 4 V 4.4161 8.6465 120.6776 61.0632 33.9051 173.5841 5 K 4.8910 8.4416 127.5753 55.2023 35.0825 175.0329 6 T 4.6306 8.7640 119.8567 61.1871 70.8298 173.2288 7 D 4.5519 8.5943 125.7619 56.5184 41.3839 178.4704 8 R 4.2475 8.0852 115.7787 56.2940 29.5560 175.7649 9 A 4.6283 7.7065 119.0117 50.1611 22.2385 174.8586 10 P 4.1205 0.0000 0.0000 62.6839 31.5010 176.6103 11 A 3.9178 8.6303 125.9480 52.5042 18.6711 177.3478 12 A 4.0363 8.1013 123.8872 50.4678 17.3198 176.9105 13 I 3.9887 8.9385 122.1393 63.7780 36.7300 176.3415 14 G 3.9561 7.9157 113.2891 43.6985 0.0000 170.0547 15 P 4.6517 0.0000 0.0000 62.4443 30.8140 175.5207 16 Y 4.8801 7.4358 114.1852 55.5989 41.2133 173.0743 17 A 4.6735 8.2812 122.0893 49.9854 22.0540 176.3650 18 Q 4.4312 8.6680 118.9166 59.3219 29.9204 176.4617 19 A 5.0812 7.6410 117.1947 51.1147 22.9464 175.3672 20 V 4.7951 8.9092 119.4753 61.1149 34.8492 174.4551 21 K 5.1151 8.9750 127.7734 55.2398 33.2213 176.0978 22 A 4.4878 9.8804 125.9178 52.5291 22.4780 176.0519 23 G 4.3023 10.0783 108.2840 46.4452 0.0000 174.3964 24 G 3.7650 8.5708 109.0703 44.2442 0.0000 173.5825 25 F 5.2496 8.4576 118.0002 55.4837 42.8691 174.7269 26 V 4.8441 8.8499 119.3001 60.1492 33.9911 174.5973 27 F 4.8789 9.6702 124.8953 55.8317 41.0285 174.8062 28 V 4.6996 8.5381 124.8694 61.3046 33.0039 175.7838 29 S 4.5508 8.9399 124.2763 58.2118 63.7788 174.4385 30 G 3.9474 8.5565 109.3884 46.4896 0.0000 172.8286 31 Q 4.9208 9.3702 125.3618 54.4753 30.9686 174.8993 32 I 4.7811 8.0892 115.2704 57.4000 41.1872 174.2064 33 P 4.7227 0.0000 0.0000 62.9617 28.5048 176.3324 34 L 5.0243 7.4516 118.3789 52.5242 44.7452 177.3912 35 A 4.2853 8.5958 126.4949 51.1081 19.1050 176.3963 36 P 4.2689 0.0000 0.0000 65.7950 31.3783 177.8337 37 D 4.4340 7.9637 114.9564 54.3960 39.3404 176.8410 38 G 4.0032 8.3333 109.8066 45.1865 0.0000 174.0976 39 S 4.4000 7.7135 113.2495 58.2461 64.6613 172.8293 40 L 4.8662 8.2408 122.7102 53.7408 43.0929 175.7006 41 V 4.0432 8.6596 127.6773 62.2517 31.7970 175.1416 42 E 4.6793 10.1318 127.4987 54.2020 31.8723 177.1968 43 G 3.7796 7.9335 107.0093 45.2499 0.0000 171.7606 44 D 4.7121 8.0666 120.6209 52.0403 40.8288 176.9162 45 I 3.7109 8.5756 112.8733 64.7584 37.0845 177.7819 46 R 4.0519 8.3270 119.7139 58.9614 29.4903 179.0272 47 V 3.6389 7.9615 117.3685 66.0560 31.5639 178.2173 48 Q 4.0844 8.0007 117.3193 59.2039 28.6223 178.2571 49 T 4.0046 9.0567 117.7806 66.7898 68.2876 176.0400 50 E 3.9794 7.8783 119.5875 59.2985 29.8635 178.6144 51 R 4.0562 7.6053 117.4142 59.2067 30.0408 179.3363 52 V 3.8235 7.6911 115.1763 63.8388 31.4928 177.2335 *54 E 4.1262 8.1794 118.6253 55.9860 31.6722 178.0625 55 N 4.3022 8.3048 116.2841 56.2438 38.5405 177.1274 56 L 3.9747 8.0343 120.6310 57.8221 41.7651 179.3763 57 K 3.7717 8.0015 118.4574 59.6154 32.0598 178.2383 58 A 3.9769 8.0537 120.7563 55.2067 18.3912 179.8310 59 V 3.5496 7.9722 116.6986 66.0975 31.6132 178.1469 60 L 4.0152 8.3050 119.1479 57.8900 41.4777 179.4198 61 E 4.3192 8.6025 119.4689 59.0266 29.2582 179.2556 62 A 4.1545 7.9608 119.0001 54.9878 18.4335 178.8538 63 A 4.2454 7.6945 117.2584 53.0501 18.7176 178.4034 64 G 3.9385 8.6691 105.8689 45.1389 0.0000 173.7480 65 S 4.8571 7.6985 115.5869 58.1489 64.1784 172.2498 66 G 4.1956 8.0019 105.5391 45.1055 0.0000 174.0478 67 L 4.0319 8.1962 118.9557 57.7169 41.5675 179.8871 68 S 4.3647 8.0221 111.1171 60.1446 63.3152 174.7015 69 R 4.3599 7.8284 119.8539 56.0691 30.5382 176.1266 70 V 4.2347 7.7513 119.5215 63.1011 31.7573 175.7736 71 V 4.3025 8.7123 120.3189 62.3436 33.7527 175.6583 72 Q 4.9985 7.7993 120.6063 54.8320 32.7825 173.4095 73 T 5.1448 9.0201 114.8475 60.3253 72.9960 172.6827 74 T 4.6944 9.2167 120.7001 62.1257 71.3621 172.7821 75 C 4.9603 9.0525 125.4472 57.9839 30.5949 172.9227 76 F 5.2521 9.0440 123.7270 55.7451 40.8080 174.9725 77 L 5.0963 8.6826 123.3160 52.9272 44.2728 177.4860 78 A 4.0439 8.6202 123.6641 54.3158 19.4050 176.7986 79 D 4.5380 7.4927 114.1653 53.2774 43.4737 174.7985 *81 E 4.3465 8.6875 113.6936 56.9269 31.7057 176.9035 82 D 4.7593 8.1314 116.5275 54.7239 40.6945 177.6993 83 F 4.1331 7.9089 122.1559 61.1833 39.4017 174.7535 84 P 4.1964 0.0000 0.0000 65.8427 31.1404 178.4086 85 G 3.7497 8.1175 103.4080 48.1421 0.0000 175.0475 86 F 4.2190 7.9946 124.0474 60.2268 39.3581 176.8144 87 N 3.6925 8.1354 117.0636 56.2995 38.4924 176.2589 88 E 3.8338 8.1802 119.8200 59.6321 29.6372 178.8318 89 V 3.8047 7.7052 117.7796 65.7124 31.4374 177.4280 90 Y 4.0094 7.7967 119.4461 60.4914 38.3216 177.6474 91 A 4.0891 8.6688 122.0894 55.1665 18.1665 179.8183 92 R 3.8514 7.5012 114.7211 59.2126 30.2041 177.5318 93 Y 3.9875 7.5389 113.8430 58.4696 38.4585 175.5368 94 F 4.9215 7.2116 117.9008 56.0673 41.1649 175.1591 95 T 4.6038 8.1977 117.8925 60.8061 72.3112 172.4097 96 P 3.8183 0.0000 0.0000 62.1486 31.7589 174.7320 97 P 4.3147 0.0000 0.0000 62.3533 31.9999 176.0513 98 Y 4.5621 8.2031 120.1452 57.0540 38.6772 173.6371 99 P 4.7184 0.0000 0.0000 62.4360 32.5624 175.9304 100 A 4.3621 9.5872 124.3836 51.9821 19.6548 176.7574 101 R 5.0438 8.4403 119.9419 54.4687 33.8099 174.0553 102 A 4.7228 8.5274 125.7802 50.4126 22.0614 175.0708 103 T 4.9150 8.3572 118.2964 61.9097 72.1346 173.8055 104 V 4.5270 8.4908 117.6009 59.9881 36.9972 173.2875 105 A 5.0889 8.4847 124.1265 50.7926 20.3736 177.2390 106 V 4.1865 8.3578 116.7991 59.6124 33.8117 176.6081 107 K 4.0151 8.6794 121.7362 59.3845 32.2037 176.5858 108 A 4.5402 7.3564 117.3189 51.1852 21.7597 174.7694 109 L 4.7278 7.9522 119.2201 51.5651 45.0722 174.4826 110 P 4.1753 0.0000 0.0000 64.3148 31.6825 176.8056 111 R 3.7375 9.2730 121.5712 57.3510 27.2636 178.0976 112 G 3.9448 7.9341 104.4688 45.5946 0.0000 175.0755 113 V 3.6859 7.1445 118.9907 63.5860 32.0921 175.6915 114 R 4.6835 8.4182 118.5005 56.2559 30.8881 175.7890 115 V 5.0547 7.4582 118.3793 60.6937 34.4557 173.3477 116 E 4.9361 9.3989 123.9404 54.7275 33.3307 173.9017 117 V 4.9214 8.9813 126.2518 61.1224 34.6555 174.0081 118 A 5.3400 9.0017 129.1707 50.6410 22.5667 174.4730 119 C 5.0821 8.3726 112.3551 57.3669 34.1135 172.7762 120 V 4.8740 9.2504 118.4279 61.1411 34.4224 174.0617 121 A 5.2919 8.8400 127.9544 49.8626 23.1676 174.9783 122 L 4.1878 8.5552 119.1552 54.6796 41.8486 177.8471 123 A 3.9721 8.7426 125.7692 53.9534 19.0132 177.6652 124 E 3.9948 8.0382 117.8830 56.8654 29.2096 174.3072 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 E 8.30 4.46 0.00 2.08 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 0.00 2.29 2.36 0.00 3 A 8.71 4.47 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 4 V 8.65 4.42 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 0.85 0.00 0.00 0.98 0.00 0.00 5 K 8.44 4.89 0.00 1.74 1.60 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.39 7.81 6 T 8.76 4.63 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 1.26 0.00 0.00 7 D 8.59 4.55 0.00 2.75 2.69 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 8 R 8.09 4.25 0.00 1.81 1.96 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 9 A 7.71 4.63 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 10 P 0.00 4.12 0.00 2.11 2.11 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.37 0.00 11 A 8.63 3.92 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 12 A 8.10 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.94 3.99 1.91 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 1.51 0.90 0.92 0.00 0.00 14 G 7.92 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 0.00 0.00 0.00 15 P 0.00 4.65 0.00 2.13 2.12 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 16 Y 7.44 4.88 0.00 3.17 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 17 A 8.28 4.67 1.30 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 0.00 0.00 0.00 18 Q 8.67 4.43 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 19 A 7.64 5.08 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 20 V 8.91 4.80 2.24 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 0.91 0.00 0.00 0.99 0.00 0.00 21 K 8.97 5.12 0.00 1.83 1.79 0.00 1.82 0.00 0.00 1.97 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.44 7.81 22 A 9.88 4.49 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 23 G 10.08 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 0.00 0.00 0.00 0.00 24 G 8.57 3.76 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 0.00 0.00 0.00 25 F 8.46 5.25 0.00 2.60 2.60 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 26 V 8.85 4.84 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 0.79 0.00 0.00 0.99 0.00 0.00 27 F 9.67 4.88 0.00 2.99 3.09 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 0.00 0.00 0.00 28 V 8.54 4.70 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 1.10 0.00 0.00 1.00 0.00 0.00 29 S 8.94 4.55 0.00 4.05 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 30 G 8.56 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 31 Q 9.37 4.92 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 32 I 8.09 4.78 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 1.36 0.95 0.91 0.00 0.00 33 P 0.00 4.72 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 34 L 7.45 5.02 0.00 1.62 1.58 0.96 1.00 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 35 A 8.60 4.29 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 36 P 0.00 4.27 0.00 2.06 2.47 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 37 D 7.96 4.43 0.00 2.79 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 38 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.40 0.00 3.97 4.06 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 40 L 8.24 4.87 0.00 1.66 1.61 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.66 4.04 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 0.82 0.00 0.00 0.94 0.00 0.00 42 E 10.13 4.68 0.00 1.99 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 2.24 2.44 0.00 43 G 7.93 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 0.00 0.00 0.00 44 D 8.07 4.71 0.00 2.86 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 I 8.58 3.71 1.97 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 1.84 0.83 1.03 0.00 0.00 46 R 8.33 4.05 0.00 2.15 2.07 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 47 V 7.96 3.64 2.24 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 1.10 0.00 0.00 1.04 0.00 0.00 48 Q 8.00 4.08 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 49 T 9.06 4.00 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 1.22 0.00 0.00 50 E 7.88 3.98 0.00 2.17 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 2.37 2.45 0.00 51 R 7.61 4.06 0.00 2.01 2.07 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 52 V 7.69 3.82 2.32 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 1.19 0.00 0.00 1.02 0.00 0.00 *54 E 8.18 4.13 0.00 2.15 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 0.00 2.40 2.29 0.00 55 N 8.30 4.30 0.00 2.94 2.88 0.00 0.00 6.95 6.55 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 56 L 8.03 3.97 0.00 1.60 1.76 1.04 1.13 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 57 K 8.00 3.77 0.00 1.74 1.94 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 58 A 8.05 3.98 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 59 V 7.97 3.55 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 1.12 0.00 0.00 1.02 0.00 0.00 60 L 8.30 4.02 0.00 1.90 1.73 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.60 4.32 0.00 2.22 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 2.33 2.28 0.00 62 A 7.96 4.15 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 63 A 7.69 4.25 1.39 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 64 G 8.67 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 65 S 7.70 4.86 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 G 8.00 4.20 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 0.00 67 L 8.20 4.03 0.00 1.61 1.54 0.88 0.12 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 68 S 8.02 4.36 0.00 3.97 3.98 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 69 R 7.83 4.36 0.00 2.08 2.00 0.00 3.52 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 70 V 7.75 4.23 2.51 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 0.87 0.00 0.00 1.16 0.00 0.00 71 V 8.71 4.30 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 0.79 0.00 0.00 1.09 0.00 0.00 72 Q 7.80 5.00 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 73 T 9.02 5.14 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 1.13 0.00 0.00 74 T 9.22 4.69 4.16 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 0.63 0.00 0.00 75 C 9.05 4.96 0.00 2.63 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 76 F 9.04 5.25 0.00 2.94 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 77 L 8.68 5.10 0.00 1.51 1.47 0.93 -0.18 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 78 A 8.62 4.04 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 79 D 7.49 4.54 0.00 2.66 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 *81 E 8.69 4.35 0.00 2.20 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 2.32 2.45 0.00 82 D 8.13 4.76 0.00 2.91 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 F 7.91 4.13 0.00 3.21 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 84 P 0.00 4.20 0.00 2.23 2.13 0.00 3.87 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 85 G 8.12 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 0.00 0.00 0.00 86 F 7.99 4.22 0.00 3.10 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 87 N 8.14 3.69 0.00 1.92 2.51 0.00 0.00 6.80 7.67 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 88 E 8.18 3.83 0.00 2.00 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 2.31 2.31 0.00 89 V 7.71 3.80 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 1.05 0.00 0.00 1.07 0.00 0.00 90 Y 7.80 4.01 0.00 2.42 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.09 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 92 R 7.50 3.85 0.00 1.66 1.52 0.00 3.14 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 93 Y 7.54 3.99 0.00 2.28 2.48 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 94 F 7.21 4.92 0.00 3.08 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 95 T 8.20 4.60 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 1.10 0.00 0.00 96 P 0.00 3.82 0.00 1.82 1.74 0.00 3.41 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.21 0.00 97 P 0.00 4.31 0.00 2.04 1.97 0.00 3.64 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 2.01 2.06 0.00 98 Y 8.20 4.56 0.00 3.02 2.83 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 99 P 0.00 4.72 0.00 1.76 1.97 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 2.35 0.00 100 A 9.59 4.36 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 0.00 101 R 8.44 5.04 0.00 1.70 1.67 0.00 2.78 0.00 0.00 2.70 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 102 A 8.53 4.72 1.10 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 0.00 0.00 103 T 8.36 4.91 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 1.21 0.00 0.00 104 V 8.49 4.53 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 0.59 0.00 0.00 0.95 0.00 0.00 105 A 8.48 5.09 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 0.00 106 V 8.36 4.19 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 0.81 0.00 0.00 0.95 0.00 0.00 107 K 8.68 4.02 0.00 1.70 1.80 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 108 A 7.36 4.54 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 0.00 109 L 7.95 4.73 0.00 1.82 1.51 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.18 0.00 1.99 1.95 0.00 3.78 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 1.93 2.02 0.00 111 R 9.27 3.74 0.00 2.03 2.01 0.00 3.26 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 112 G 7.93 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 0.00 113 V 7.14 3.69 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 0.88 0.00 0.00 0.94 0.00 0.00 114 R 8.42 4.68 0.00 1.93 2.15 0.00 3.32 0.00 0.00 3.42 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 115 V 7.46 5.05 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 0.73 0.00 0.00 1.00 0.00 0.00 116 E 9.40 4.94 0.00 2.04 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 2.31 2.37 0.00 117 V 8.98 4.92 2.27 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 1.04 0.00 0.00 1.26 0.00 0.00 118 A 9.00 5.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 5.08 0.00 3.31 3.11 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 0.00 120 V 9.25 4.87 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 0.45 0.00 0.00 0.99 0.00 0.00 121 A 8.84 5.29 1.25 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 0.00 122 L 8.56 4.19 0.00 1.51 1.49 0.88 0.34 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 0.00 123 A 8.74 3.97 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 0.00 124 E 8.04 3.99 0.00 2.27 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 2.31 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.