NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2853 8.3645 123.5782 52.2329 19.8912 176.7628 *6 H 4.7328 8.4464 118.9272 51.6735 31.6929 168.8093 7 R 4.4065 9.4072 124.6624 55.5123 31.5759 176.3285 8 L 4.4259 8.6018 123.9379 55.0162 42.2197 177.5070 9 S 4.4329 10.3231 119.2595 57.6627 64.5145 174.9620 10 A 4.0161 8.9946 125.1461 56.3771 17.3629 180.6900 11 E 3.9857 8.0898 116.1239 61.2940 29.9239 181.7097 12 E 4.2286 7.8573 119.0486 59.2857 29.5125 179.6616 13 R 4.0035 8.2811 118.4479 59.3580 29.9185 178.7999 14 D 4.5207 8.1147 119.7378 57.2652 40.8544 178.6033 15 Q 4.3341 7.5103 119.2760 58.4077 28.7583 181.6818 16 L 4.6592 8.2192 118.2057 56.1049 42.9098 178.6189 17 L 4.1745 7.9503 119.5264 56.7651 41.6807 177.0746 18 P 4.2599 0.0000 0.0000 66.5514 30.6054 178.1263 19 N 4.4143 8.0919 114.2906 55.6458 38.7315 176.9991 20 L 4.2750 7.7420 120.1507 57.8483 42.0138 179.4224 21 R 4.9551 8.8343 119.5325 58.7065 29.7558 178.7928 22 A 4.2325 8.1500 119.4670 53.9125 18.3214 178.3975 23 V 4.2286 7.3693 109.2601 61.1270 32.1394 176.1104 24 G 3.7488 7.6188 108.1787 45.1194 0.0000 174.8945 25 W 4.6526 8.2716 120.8306 56.5970 30.6162 175.1327 26 N 5.4073 9.3377 120.2296 51.5123 42.7457 174.0365 27 E 4.7282 8.9463 121.7350 56.4580 30.4272 176.7562 28 L 4.3523 8.8375 125.5397 54.5005 42.5326 177.1803 29 E 4.0716 8.1568 117.1631 58.6987 30.2130 178.9019 30 G 4.2965 7.7073 107.7714 45.1542 0.0000 173.0230 31 R 4.4794 7.4173 116.4492 55.0499 33.2697 174.8101 32 D 4.8160 8.4178 124.8091 52.7838 40.0419 174.2856 33 A 4.9217 7.9368 123.2591 50.3851 23.3828 174.8154 34 I 5.1843 8.6140 112.8131 59.3737 40.8083 174.5033 35 F 5.6844 9.5143 125.3295 56.9678 43.3523 173.1908 36 K 3.9485 7.3608 123.7274 54.9403 35.6590 174.1889 37 Q 4.6478 7.6713 125.1335 54.2232 30.7647 174.8335 38 F 4.3801 9.4881 121.8853 55.6807 42.3983 174.0536 39 H 4.9527 8.1488 121.6120 54.6763 31.9162 172.5253 40 F 4.6797 8.6296 125.0264 55.5225 40.8377 176.4453 41 K 4.1542 8.8285 120.7502 59.3030 32.3836 175.5095 42 D 4.2553 7.4333 116.0402 50.8873 42.3164 175.2742 43 F 4.1112 7.9639 119.5307 61.1272 39.1826 176.3294 44 N 4.0996 8.1964 116.4302 56.9079 38.5558 176.9024 45 R 3.6814 8.4995 119.2070 59.0160 30.1606 178.7707 46 A 2.9356 7.4029 120.4887 54.9706 18.3813 179.5177 47 F 3.6267 8.2271 119.4869 60.7401 39.4028 177.7432 48 G 3.4975 7.7913 105.7320 47.4189 0.0000 175.4747 49 F 4.0483 8.0021 123.1535 61.3603 39.3945 177.1437 50 M 3.7450 7.6168 118.2347 58.2427 31.5826 178.8179 51 S 3.8411 7.7582 115.5098 61.7449 62.9384 177.1261 52 R 3.9475 7.6615 120.2472 59.2171 29.6915 179.3705 53 V 3.6854 7.7309 117.9707 65.7128 31.5590 177.9306 54 A 3.9670 8.6103 121.0211 55.0919 18.2770 179.5458 55 L 3.8676 7.8637 117.4503 58.0904 41.6380 179.6542 56 Q 3.6110 7.7470 118.8556 58.7557 28.8073 177.8841 57 A 3.9816 7.8901 123.6629 54.6184 18.1143 179.5051 58 E 3.9277 7.7468 115.8149 59.0902 29.5945 179.1237 59 K 4.0075 7.5798 119.0408 59.1358 32.4200 178.2406 60 L 4.1535 7.9323 116.7447 53.8595 42.5246 175.8070 61 D 4.2967 7.8284 117.6284 55.0292 40.1216 173.3895 62 H 4.7393 7.5457 116.6114 54.8430 32.6880 171.0779 63 H 4.6757 8.4746 123.7704 53.1143 31.1801 172.3007 64 P 4.4039 0.0000 0.0000 62.4498 32.8877 175.5300 65 E 4.7701 8.8298 121.0596 54.6711 30.7252 175.1417 66 W 6.0236 9.1169 120.8555 54.6965 31.8850 174.2190 67 F 5.0832 9.5961 123.2499 56.6072 42.0992 173.3544 68 N 5.8637 7.7494 122.2593 50.9683 42.5331 174.3597 69 V 4.1163 8.0781 124.3837 61.2576 34.5180 175.5103 70 Y 3.5811 8.5959 128.7674 58.8877 38.7134 170.6291 71 N 4.7319 9.2061 115.6052 52.7633 38.2157 173.8696 72 K 5.1200 8.1997 119.6490 54.9982 35.1154 175.4858 73 V 5.0423 8.9751 123.4494 61.7500 34.9358 173.4919 74 H 5.5315 9.8491 125.6632 54.2299 31.5837 173.5247 75 I 5.3334 8.6901 123.3960 59.9202 40.9162 174.4900 76 T 5.5803 9.4227 123.2766 61.8820 71.8473 173.0848 77 L 5.1829 9.1669 125.4558 53.2251 45.3343 175.5183 78 S 4.9196 8.4486 114.9423 58.0021 65.6633 174.3863 79 T 4.5209 8.6815 124.8238 62.9955 69.4452 176.1330 *80 H 4.0975 9.0576 124.2490 57.6330 28.4930 173.3801 81 E 3.9486 8.4118 120.2368 59.0099 29.1563 177.4756 82 C 4.4414 8.0971 108.7747 56.7565 30.4674 173.5482 83 A 3.7048 7.9845 121.4945 51.6992 15.8625 176.2258 84 G 4.0306 7.4722 109.5712 43.9868 0.0000 170.1593 85 L 4.5779 7.9407 119.9981 54.7752 42.1110 176.9427 86 S 4.8825 9.0608 118.6677 56.3256 66.5588 175.2017 87 E 4.0060 8.6358 118.1984 61.0952 29.0187 175.9748 88 R 3.9935 7.6513 117.0216 59.6859 29.9827 178.8461 89 D 4.3203 7.8102 118.2545 57.3423 40.8377 178.8769 90 I 3.5455 7.5535 119.8028 64.3032 37.1708 178.1105 91 N 4.2878 8.5829 117.5675 56.3215 38.4446 177.3195 92 L 3.9653 8.1834 121.8254 57.9042 42.1250 178.7788 93 A 3.7182 8.1408 121.1880 55.2172 18.3256 179.7806 94 S 4.0887 8.0344 113.6277 61.5978 62.8521 176.8055 95 F 4.0279 8.3514 123.3069 61.3477 39.1120 177.0710 96 I 3.7810 8.4711 119.8675 64.7492 37.0533 178.2381 97 E 4.2724 8.6343 119.2361 59.5681 29.0557 179.4164 98 Q 3.9832 7.6115 116.8899 58.8940 28.9498 178.7977 99 V 3.6411 7.6231 119.0343 65.7865 31.5710 177.8401 100 A 4.1578 8.5687 120.9049 55.5159 18.0951 180.0343 101 V 3.7071 7.6564 108.8786 63.8159 31.6276 178.1410 102 S 4.4367 7.7807 112.4903 59.8590 63.3922 174.0479 103 M 4.2256 8.0006 126.8605 55.5555 31.8712 175.7869 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 5 A 8.36 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 *6 H 8.45 4.73 0.00 2.96 2.78 0.00 7.22 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.41 4.41 0.00 1.68 1.90 0.00 3.19 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 8 L 8.60 4.43 0.00 1.51 1.60 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 S 10.32 4.43 0.00 3.77 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 10 A 8.99 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 11 E 8.09 3.99 0.00 1.99 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 2.31 1.97 0.00 12 E 7.86 4.23 0.00 2.15 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 2.34 0.00 13 R 8.28 4.00 0.00 1.96 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 14 D 8.11 4.52 0.00 2.69 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 15 Q 7.51 4.33 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 16 L 8.22 4.66 0.00 1.57 1.70 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.95 4.17 0.00 1.90 1.73 0.98 0.92 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 18 P 0.00 4.26 0.00 2.27 2.35 0.00 3.65 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 2.09 2.30 0.00 19 N 8.09 4.41 0.00 2.72 2.94 0.00 0.00 6.93 7.85 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 20 L 7.74 4.28 0.00 1.84 1.63 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.83 4.96 0.00 2.00 2.04 0.00 3.19 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 22 A 8.15 4.23 1.41 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 23 V 7.37 4.23 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 0.77 0.00 0.00 1.33 0.00 0.00 24 G 7.62 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 25 W 8.27 4.65 0.00 3.35 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 26 N 9.34 5.41 0.00 2.79 2.72 0.00 0.00 6.86 7.21 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 27 E 8.95 4.73 0.00 1.91 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 2.38 2.42 0.00 28 L 8.84 4.35 0.00 1.83 1.60 0.97 0.65 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 29 E 8.16 4.07 0.00 1.89 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 2.31 1.88 0.00 30 G 7.71 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 31 R 7.42 4.48 0.00 1.77 1.78 0.00 3.29 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 32 D 8.42 4.82 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.92 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 34 I 8.61 5.18 2.24 0.00 0.00 0.47 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 1.27 1.00 0.00 0.00 35 F 9.51 5.68 0.00 3.21 2.94 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 36 K 7.36 3.95 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.54 7.81 37 Q 7.67 4.65 0.00 1.68 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 38 F 9.49 4.38 0.00 2.92 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 0.00 0.00 0.00 0.00 39 H 8.15 4.95 0.00 3.01 2.96 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.63 4.68 0.00 2.83 2.90 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 41 K 8.83 4.15 0.00 1.77 1.88 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 42 D 7.43 4.26 0.00 2.86 2.79 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 43 F 7.96 4.11 0.00 2.77 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 44 N 8.20 4.10 0.00 2.81 2.93 0.00 0.00 7.24 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 45 R 8.50 3.68 0.00 1.78 1.73 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 46 A 7.40 2.94 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 47 F 8.23 3.63 0.00 1.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.00 4.05 0.00 2.45 2.62 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 50 M 7.62 3.74 0.00 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.57 0.00 51 S 7.76 3.84 0.00 3.75 3.77 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 52 R 7.66 3.95 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 53 V 7.73 3.69 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 0.77 0.00 0.00 0.51 0.00 0.00 54 A 8.61 3.97 1.45 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 55 L 7.86 3.87 0.00 1.85 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.75 3.61 0.00 1.17 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 57 A 7.89 3.98 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 0.00 0.00 0.00 0.00 0.00 58 E 7.75 3.93 0.00 2.08 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 2.35 2.46 0.00 59 K 7.58 4.01 0.00 1.66 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 L 7.93 4.15 0.00 1.48 1.58 0.73 1.07 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 61 D 7.83 4.30 0.00 2.73 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 62 H 7.55 4.74 0.00 3.07 2.96 0.00 5.87 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.47 4.68 0.00 3.00 3.02 0.00 5.94 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.40 0.00 1.48 1.56 0.00 3.23 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.83 4.77 0.00 2.10 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 2.28 2.26 0.00 66 W 9.12 6.02 0.00 3.46 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 67 F 9.60 5.08 0.00 3.21 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 68 N 7.75 5.86 0.00 2.51 2.35 0.00 0.00 7.12 7.71 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 69 V 8.08 4.12 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 0.91 0.00 0.00 1.00 0.00 0.00 70 Y 8.60 3.58 0.00 3.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 9.21 4.73 0.00 2.93 2.61 0.00 0.00 5.81 7.79 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 72 K 8.20 5.12 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.42 7.81 73 V 8.98 5.04 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.11 0.00 0.00 74 H 9.85 5.53 0.00 3.47 3.57 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.69 5.33 2.18 0.00 0.00 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 1.78 1.37 1.25 0.00 0.00 76 T 9.42 5.58 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 77 L 9.17 5.18 0.00 1.54 1.71 0.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.45 4.92 0.00 3.88 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 79 T 8.68 4.52 4.39 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 1.21 0.00 0.00 *80 H 9.06 4.10 0.00 2.83 3.07 0.00 7.22 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 81 E 8.41 3.95 0.00 1.91 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 2.30 2.33 0.00 82 C 8.10 4.44 0.00 3.10 3.16 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 83 A 7.98 3.70 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 84 G 7.47 4.03 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 0.00 0.00 0.00 85 L 7.94 4.58 0.00 1.75 1.59 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.06 4.88 0.00 3.89 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 87 E 8.64 4.01 0.00 2.00 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 0.00 2.31 1.97 0.00 88 R 7.65 3.99 0.00 1.46 1.45 0.00 2.94 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 89 D 7.81 4.32 0.00 2.74 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 90 I 7.55 3.55 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.13 0.84 0.00 0.00 91 N 8.58 4.29 0.00 2.74 2.82 0.00 0.00 6.69 6.62 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 92 L 8.18 3.97 0.00 1.75 1.61 0.81 1.02 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 93 A 8.14 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.03 4.09 0.00 4.06 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 95 F 8.35 4.03 0.00 3.16 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 96 I 8.47 3.78 2.39 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 1.27 0.00 0.00 97 E 8.63 4.27 0.00 2.29 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 0.00 2.92 2.75 0.00 98 Q 7.61 3.98 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 99 V 7.62 3.64 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 1.10 0.00 0.00 0.42 0.00 0.00 100 A 8.57 4.16 1.55 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 0.00 0.00 101 V 7.66 3.71 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 0.91 0.00 0.00 1.05 0.00 0.00 102 S 7.78 4.44 0.00 4.00 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 0.00 103 M 8.00 4.23 0.00 2.02 2.47 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.97 0.00 * Residues marked with a * may have inaccurate shift predictions.