NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.3058 8.0832 122.9340 57.9431 41.9828 174.1370 4 I 4.5338 7.9860 118.6804 58.6704 39.1953 172.9396 5 Y 4.8130 9.8512 130.4249 55.9149 41.5667 173.9890 6 R 4.5631 7.9972 125.7106 54.9228 31.8935 175.9751 7 R 4.1641 7.3881 120.0522 54.8844 35.1652 173.7315 8 R 4.8750 7.8951 120.6109 54.1419 33.1006 175.2922 9 V 3.9639 8.5633 126.1089 63.2702 32.6052 175.4447 10 Q 4.7193 9.1236 127.2585 54.6894 30.1940 176.6292 11 F 3.7542 9.1814 123.4499 61.5517 39.3461 176.8456 12 Y 4.4029 7.9290 115.6386 58.8657 38.0362 176.1356 13 E 4.2267 7.7421 120.3184 56.9761 30.0096 176.1799 14 T 4.5884 7.3725 109.5574 60.3567 70.8089 172.9632 15 D 4.9199 8.4595 121.6043 52.0007 43.5650 177.3934 16 A 4.0610 8.4222 122.0768 55.1117 18.3469 178.3315 17 Q 4.2397 8.0896 112.1744 56.1081 28.8160 176.2946 18 G 3.9278 8.3756 106.2857 46.3178 0.0000 173.3337 19 I 4.9700 7.2483 111.4520 58.2200 41.7543 174.3784 20 V 4.0753 8.2312 123.5194 63.1971 31.9139 175.3853 21 H 5.0144 9.2352 128.3848 55.9378 30.0257 175.9135 22 H 4.0851 8.5925 121.0758 58.8002 28.2522 177.8853 23 S 4.4761 7.7448 116.1696 61.1434 62.8802 175.9859 24 N 4.2499 8.2046 120.4222 56.0348 38.0877 176.6520 25 Y 3.1509 7.5725 117.6973 60.9041 37.9317 178.8510 26 F 4.0796 7.4768 117.0151 60.2404 39.0399 177.9575 27 R 4.0107 7.8779 118.2945 59.2105 29.8086 178.5574 28 Y 4.4273 7.0859 116.1878 61.1725 37.8889 178.2286 29 F 4.2895 7.7163 118.8108 60.3807 38.7335 177.3675 30 E 4.0548 8.1730 119.0568 59.1178 29.3349 178.7426 31 E 3.8396 8.1162 118.2997 59.1482 29.5335 179.0414 32 A 3.1735 7.7207 120.7347 55.0005 18.6273 179.5194 33 R 3.7604 8.2454 117.4418 59.4575 30.2017 178.9121 34 G 3.6100 8.2582 105.6767 48.0603 0.0000 175.6501 35 E 4.1040 8.3604 121.5059 58.2556 29.1439 179.3555 36 F 4.1824 8.0942 120.5843 61.2302 39.8351 176.7311 37 L 3.8499 7.9349 120.6108 58.4665 41.2425 180.2372 38 R 3.9736 7.6769 121.1733 62.2955 29.3159 180.7301 39 S 4.5158 7.7169 120.7979 64.1870 62.2526 178.0385 40 K 4.3225 7.7895 128.1645 57.3843 31.7987 178.5793 *53 E 4.3841 7.6259 115.9026 56.4317 32.2782 177.0786 54 V 4.5637 8.5318 125.7296 61.2786 32.9329 175.1897 55 V 4.4759 8.7067 127.7369 60.9076 34.1081 174.0187 56 L 4.3980 8.5628 129.9527 55.0501 42.2788 175.9179 57 L 4.5153 8.4985 126.6607 56.7032 42.9400 176.4733 58 N 4.9472 7.7110 113.0612 52.1581 40.3210 173.1320 59 A 5.3236 8.3918 120.2447 51.0856 22.7469 174.8372 60 Y 5.0315 9.2137 120.1677 56.6066 42.9308 173.4246 61 C 4.6627 7.5604 123.9233 57.7222 35.0032 172.2530 62 E 4.2393 9.3001 127.7105 54.4305 31.7385 173.9043 63 Y 4.4313 8.4339 124.6382 56.7529 38.7589 175.1982 64 K 4.3684 8.9777 124.8447 57.5120 33.5094 177.8394 65 K 4.6019 7.5669 116.6992 53.6317 35.8104 174.2113 66 P 4.5119 0.0000 0.0000 62.6170 32.7885 175.1227 67 L 4.3557 7.7387 120.7338 53.0303 44.5477 176.0862 68 F 5.2080 9.4990 122.1987 55.1772 42.5258 174.4085 69 Y 4.4400 9.0571 120.4544 60.0719 38.7068 175.7561 70 D 4.3395 8.6049 126.2152 54.0343 39.3241 173.5502 71 D 4.6619 7.7369 118.0827 55.1829 42.5222 176.3426 72 V 4.5945 8.2750 122.3837 61.9935 32.9928 174.8043 73 F 5.2357 8.6528 121.5204 55.5106 42.1914 172.8240 74 E 4.9472 9.6525 118.4348 54.4790 33.2749 175.4004 75 V 4.8655 8.9474 123.9495 61.6718 34.2189 174.2479 76 H 4.9923 9.6345 127.2833 54.9052 29.6981 174.1644 77 L 4.9602 9.1531 127.3533 53.5762 44.2614 174.7635 78 N 5.1061 8.4176 122.7212 51.9427 42.9812 172.7792 79 L 4.4675 8.7651 130.4554 55.8490 42.3460 176.0734 80 E 4.5656 9.4458 127.0097 58.2859 31.6063 173.3322 81 E 4.8891 7.7638 116.5226 54.6567 34.5863 176.2254 82 L 5.0570 8.2653 120.2727 54.9101 44.6312 174.3639 83 S 4.5884 8.7182 121.6160 57.7902 66.1384 175.7115 *84 R 4.0854 8.7191 120.3126 58.9263 29.1261 174.7180 *85 F 4.8247 7.4093 114.6187 57.8358 40.3798 181.0522 86 T 5.3064 8.0253 108.8946 61.2278 72.7124 177.8965 87 F 5.3025 7.7244 119.1164 54.9476 41.7346 174.1092 88 T 4.9926 8.4249 115.8189 61.9468 72.4338 172.9485 89 F 5.2696 9.1371 126.8798 56.5464 42.0427 175.6516 90 S 5.0811 9.0361 120.4096 57.4097 65.5034 172.2460 91 Y 5.2912 9.2290 118.2752 56.7869 42.5206 174.5743 92 I 4.8461 8.6532 122.7281 59.6432 41.6414 174.1597 93 V 4.8842 8.7735 127.5405 61.2893 33.5962 174.2297 94 F 5.2953 9.6399 126.8831 55.5658 42.1194 174.4894 95 K 4.7500 9.2310 127.3666 54.9044 33.9516 176.5867 *96 E 3.9153 9.1736 129.7061 58.0929 27.2656 173.0413 97 D 4.9008 9.0649 119.5950 54.7623 40.1340 175.3529 98 I 4.5420 7.6620 117.8503 58.7467 37.8828 178.9166 99 A 4.1276 8.6426 128.7803 51.0045 17.9498 177.3016 100 V 4.1379 8.5099 116.2604 62.8906 33.2584 176.2293 101 A 4.8768 7.5767 123.6046 51.1725 22.3996 175.8397 102 K 5.0306 8.5453 124.6190 53.6370 35.9540 173.7956 103 A 5.2949 8.7347 123.9940 51.5697 23.4976 174.4414 104 N 5.3723 8.8443 114.6692 52.9337 41.0618 173.8657 105 T 5.2887 8.8602 109.3712 60.3662 72.8461 172.3811 106 K 4.9991 8.6662 124.2957 55.1674 35.3836 174.4087 107 H 5.3250 8.8191 122.4974 54.4877 33.8924 171.6496 108 C 5.0448 8.5005 113.0499 57.8215 33.3150 172.3297 109 M 5.3744 8.6423 119.1372 54.8204 35.5855 176.2075 110 V 4.5246 8.9373 124.0500 60.3363 35.7504 174.2977 111 K 4.2247 8.7166 126.0710 53.7258 32.4693 172.6735 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 F 8.08 5.31 0.00 3.19 3.23 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 4 I 7.99 4.53 1.91 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.89 0.00 0.00 5 Y 9.85 4.81 0.00 3.05 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 6 R 8.00 4.56 0.00 1.46 1.53 0.00 3.19 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 7 R 7.39 4.16 0.00 0.67 0.70 0.00 3.01 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.70 0.00 8 R 7.90 4.87 0.00 1.63 1.66 0.00 3.17 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 9 V 8.56 3.96 2.37 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 1.05 0.00 0.00 1.00 0.00 0.00 10 Q 9.12 4.72 0.00 1.60 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 11 F 9.18 3.75 0.00 2.81 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 12 Y 7.93 4.40 0.00 3.11 3.17 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 13 E 7.74 4.23 0.00 2.09 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 2.23 1.64 0.00 14 T 7.37 4.59 4.09 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 1.12 0.00 0.00 15 D 8.46 4.92 0.00 2.66 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 16 A 8.42 4.06 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 17 Q 8.09 4.24 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 18 G 8.38 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 19 I 7.25 4.97 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 1.06 0.00 0.00 20 V 8.23 4.08 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 0.54 0.00 0.00 0.87 0.00 0.00 21 H 9.24 5.01 0.00 3.53 3.11 0.00 5.89 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.59 4.09 0.00 2.65 2.73 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.74 4.48 0.00 4.12 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 0.00 24 N 8.20 4.25 0.00 2.63 2.22 0.00 0.00 6.83 6.77 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 25 Y 7.57 3.15 0.00 2.72 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 0.00 0.00 0.00 0.00 26 F 7.48 4.08 0.00 3.30 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 27 R 7.88 4.01 0.00 1.76 1.92 0.00 3.25 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 28 Y 7.09 4.43 0.00 2.74 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 29 F 7.72 4.29 0.00 2.92 1.87 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 30 E 8.17 4.05 0.00 2.18 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 2.36 2.44 0.00 31 E 8.12 3.84 0.00 2.08 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 2.40 2.73 0.00 32 A 7.72 3.17 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 33 R 8.25 3.76 0.00 2.24 2.17 0.00 3.43 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.17 0.00 34 G 8.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.10 0.00 1.91 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 2.39 2.57 0.00 36 F 8.09 4.18 0.00 2.92 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 37 L 7.93 3.85 0.00 1.91 1.67 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.68 3.97 0.00 1.95 1.86 0.00 3.29 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 39 S 7.72 4.52 0.00 3.72 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 40 K 7.79 4.32 0.00 1.86 1.56 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.31 7.81 *53 E 7.63 4.38 0.00 1.68 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 2.21 1.89 0.00 54 V 8.53 4.56 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 1.21 0.00 0.00 1.13 0.00 0.00 55 V 8.71 4.48 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 0.89 0.00 0.00 0.96 0.00 0.00 56 L 8.56 4.40 0.00 1.70 1.55 0.94 1.02 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 57 L 8.50 4.52 0.00 1.61 1.65 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.71 4.95 0.00 2.81 2.85 0.00 0.00 5.85 8.00 0.00 0.00 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 A 8.39 5.32 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 60 Y 9.21 5.03 0.00 3.07 2.93 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 61 C 7.56 4.66 0.00 2.51 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 0.00 0.00 0.00 62 E 9.30 4.24 0.00 1.88 1.72 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 2.13 2.25 0.00 63 Y 8.43 4.43 0.00 2.68 2.63 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 64 K 8.98 4.37 0.00 1.65 1.82 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.32 7.81 65 K 7.57 4.60 0.00 1.63 1.60 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.33 7.81 66 P 0.00 4.51 0.00 1.76 1.94 0.00 3.66 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 1.62 2.01 0.00 67 L 7.74 4.36 0.00 1.52 1.32 -0.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.50 5.21 0.00 3.02 2.93 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 69 Y 9.06 4.44 0.00 2.76 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 70 D 8.60 4.34 0.00 2.58 1.78 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 71 D 7.74 4.66 0.00 2.79 2.66 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 72 V 8.27 4.59 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 0.67 0.00 0.00 0.86 0.00 0.00 73 F 8.65 5.24 0.00 3.21 2.96 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 74 E 9.65 4.95 0.00 1.90 1.89 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 2.15 2.11 0.00 75 V 8.95 4.87 2.43 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 1.41 0.00 0.00 1.38 0.00 0.00 76 H 9.63 4.99 0.00 3.29 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.15 4.96 0.00 1.70 1.46 0.49 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.42 5.11 0.00 3.00 2.59 0.00 0.00 6.70 6.09 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 79 L 8.77 4.47 0.00 1.70 1.56 0.64 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.45 4.57 0.00 1.73 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 2.17 2.11 0.00 81 E 7.76 4.89 0.00 1.59 1.77 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 2.19 1.83 0.00 82 L 8.27 5.06 0.00 1.57 1.50 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.72 4.59 0.00 3.94 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 *84 R 8.72 4.09 0.00 1.85 1.89 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *85 F 7.41 4.82 0.00 2.45 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 0.00 0.00 0.00 0.00 86 T 8.03 5.31 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 87 F 7.72 5.30 0.00 2.74 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 88 T 8.42 4.99 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 1.25 0.00 0.00 89 F 9.14 5.27 0.00 2.72 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 90 S 9.04 5.08 0.00 3.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.23 5.29 0.00 2.20 2.40 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 92 I 8.65 4.85 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.35 0.00 0.00 93 V 8.77 4.88 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 1.02 0.00 0.00 1.21 0.00 0.00 94 F 9.64 5.30 0.00 2.88 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 95 K 9.23 4.75 0.00 1.80 1.70 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.36 1.39 7.81 *96 E 9.17 3.92 0.00 2.21 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 2.10 1.86 0.00 97 D 9.06 4.90 0.00 2.68 2.55 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 98 I 7.66 4.54 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 1.23 0.67 0.91 0.00 0.00 99 A 8.64 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.51 4.14 2.22 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 0.73 0.00 0.00 0.93 0.00 0.00 101 A 7.58 4.88 1.08 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 0.00 0.00 0.00 0.00 0.00 102 K 8.55 5.03 0.00 1.40 1.63 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.22 7.81 103 A 8.73 5.29 0.81 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 0.00 104 N 8.84 5.37 0.00 2.92 2.92 0.00 0.00 6.93 7.20 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 0.00 105 T 8.86 5.29 4.42 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 0.00 0.00 1.59 0.00 0.00 106 K 8.67 5.00 0.00 1.80 1.58 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.15 1.33 7.81 107 H 8.82 5.33 0.00 1.42 2.89 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.50 5.04 0.00 3.07 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 0.00 109 M 8.64 5.37 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.75 0.00 110 V 8.94 4.52 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 0.67 0.00 0.00 0.93 0.00 0.00 111 K 8.72 4.22 0.00 1.72 1.55 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.