NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1470 8.1127 120.8623 56.8081 30.0506 176.1026 3 V 3.2196 8.1904 122.7010 61.6120 31.4666 172.2310 4 K 4.2089 8.1115 118.1614 58.4391 33.6157 175.9030 5 M 4.5997 7.1233 117.8060 54.2972 33.4234 173.5282 6 H 4.6214 8.4661 112.1474 55.3564 30.8955 173.7195 7 V 3.6781 8.6073 112.4819 64.3582 31.1741 176.1891 8 K 4.7451 7.4173 114.8344 54.2766 35.9194 174.4402 9 K 4.3398 8.1351 117.6239 56.2211 33.9712 178.3289 10 G 4.0581 8.7516 106.2171 46.0093 0.0000 173.9838 11 D 4.9453 7.5819 122.7781 53.2641 41.4391 179.8541 12 T 4.7185 8.6972 119.5438 62.1570 71.9858 171.7155 13 V 4.9062 8.7411 120.0133 59.3492 35.5079 175.3909 14 L 4.8424 8.6339 125.2922 54.6082 44.0566 175.4752 15 V 4.7558 7.2644 121.9014 61.8868 34.8638 175.3205 16 A 5.3010 7.4147 125.6637 52.1529 23.3953 177.8179 17 S 4.4895 8.8260 117.9226 59.9617 61.3359 174.6218 18 G 4.2627 8.6480 108.7305 45.9289 0.0000 174.7861 19 K 3.9145 8.3233 121.2802 58.4804 32.6088 178.0514 20 Y 4.4184 7.5854 115.2508 56.8186 38.3879 175.8109 21 K 3.6375 7.8795 122.3006 57.5374 32.0277 172.8039 22 G 3.7058 8.9217 123.3867 45.6340 0.0000 172.7177 23 R 4.3095 8.0747 121.6439 54.6802 33.9016 174.7821 24 V 3.9629 8.6706 125.0154 63.8442 32.1833 175.2986 25 G 4.1691 8.8300 111.9102 45.5147 0.0000 173.8105 26 K 4.8560 8.5838 122.7743 55.7842 34.2067 175.7968 27 V 3.4350 7.6418 115.9666 62.1404 32.6458 177.0455 28 K 4.5156 8.2918 124.1147 56.9516 33.3163 177.2164 29 E 3.6072 8.3141 117.4405 59.6932 26.3559 175.6859 30 V 3.2629 6.9663 118.8781 61.7009 32.7320 174.2080 31 L 4.0051 7.9991 129.4765 54.7988 41.4524 175.3365 32 P 4.7639 0.0000 0.0000 62.2988 32.9322 177.2083 33 K 3.2534 8.1098 118.9304 59.1403 31.9866 177.1938 34 K 4.3082 7.9173 114.9885 55.2714 34.0604 174.8581 35 Y 3.1270 8.7969 120.8610 57.9914 37.3262 168.3056 36 A 5.1565 7.0273 122.6342 50.9568 23.9471 176.4340 37 V 4.4414 7.9431 114.9840 60.9733 30.7481 176.2261 38 I 4.0942 8.6001 129.2534 63.2053 44.9371 175.6978 39 V 3.3478 7.0611 119.0126 64.2759 31.3547 173.4547 40 E 4.6342 8.7282 113.8612 56.0672 32.0932 175.4605 41 G 3.3706 8.0138 108.8308 46.7177 0.0000 175.2328 42 V 2.5042 5.4500 111.5938 64.1198 29.0315 174.8055 43 N 5.1167 7.6583 132.6178 52.2143 38.9945 174.4164 44 I 4.3047 7.4950 119.1078 61.3304 38.3912 175.4326 45 V 4.6786 7.9152 120.1453 61.3095 34.7884 174.0119 46 K 4.2775 8.7928 119.0939 56.2592 33.8126 177.7102 47 K 4.5387 7.5817 127.4616 56.3901 32.7442 173.4436 48 A 3.8326 6.2678 124.4098 52.2253 17.1157 177.5006 49 V 4.1757 8.0347 120.7590 62.5787 34.5509 177.5602 50 R 3.9938 7.9329 116.4875 56.2129 26.8939 176.5945 51 V 3.8196 8.3180 118.8881 65.9715 32.2676 177.3759 52 S 4.4850 7.5887 114.2190 56.3233 65.2929 173.2201 53 P 4.4107 0.0000 0.0000 63.1601 30.8727 175.8829 54 K 3.4816 8.2929 120.2450 57.0261 32.6833 176.6983 55 Y 3.5987 9.1378 114.6297 58.8087 37.7046 171.9479 56 P 3.7000 0.0000 0.0000 61.7830 33.6615 179.2330 57 Q 4.6738 9.0063 128.7691 55.7695 32.5461 174.2187 58 G 4.1849 7.9885 108.6100 45.2171 0.0000 175.6828 59 G 4.1646 8.8028 111.7609 45.3073 0.0000 172.7250 60 F 5.3948 8.7329 114.0159 56.5612 39.6819 175.8396 61 I 4.6080 7.5817 120.4675 60.9927 39.2572 177.1433 62 E 3.9813 8.1381 118.6152 58.2332 28.4945 180.2613 63 K 4.5922 6.3347 125.4741 56.6281 36.6080 174.2366 64 E 5.0232 8.9208 119.5267 55.2246 31.1511 176.1091 65 A 4.3505 8.1201 123.5630 51.7032 20.8283 177.6210 66 P 3.7247 0.0000 0.0000 64.1369 32.5051 172.4642 67 L 3.4539 7.8989 127.6684 54.2376 43.1792 173.4702 68 H 4.5860 8.6826 125.5232 56.0425 30.2882 175.7211 69 A 3.8583 8.6409 129.7933 55.3902 18.2076 178.9739 70 S 4.6100 8.2156 107.5039 59.4944 62.5734 174.5705 71 K 4.2734 8.4454 119.1901 58.4697 32.4467 176.8519 72 V 4.8221 7.0967 110.1433 60.1254 33.7861 175.8026 73 R 4.8270 8.5931 120.3961 54.0571 34.5906 173.5088 74 P 5.0903 0.0000 0.0000 62.7542 32.8588 175.2575 75 I 4.7351 7.5427 119.6922 59.7761 41.0571 174.7171 76 C 4.6127 9.1453 123.7119 59.7889 34.2351 173.9359 77 P 3.9546 0.0000 0.0000 61.7240 27.5500 175.7076 78 A 4.4640 6.4676 124.1676 52.5938 21.9033 175.2966 79 C 4.7520 8.0811 117.1837 59.1464 36.1685 177.3678 80 G 3.6812 8.3578 107.2861 45.4298 0.0000 177.5323 81 K 3.9940 8.9154 131.2515 55.6974 32.1189 173.9181 82 P 4.4836 0.0000 0.0000 63.2260 32.5485 175.8244 83 T 4.5476 8.3977 118.9303 63.6732 69.8206 174.2349 84 R 4.9175 8.9377 123.7362 54.6618 34.4505 174.1264 85 V 4.8920 8.2113 117.8178 62.0619 34.1424 174.6482 86 R 4.7866 8.9819 127.0592 54.4390 33.6737 176.1945 87 K 4.0530 8.6953 120.3558 57.5419 33.3796 179.4961 88 K 4.0397 8.5195 115.7829 55.9258 30.5974 175.9019 89 F 4.0950 8.4181 118.9845 57.5434 37.0236 174.8865 90 L 5.4868 7.4934 129.3941 56.1703 40.8674 173.5617 91 E 4.2961 7.9021 121.2546 55.6160 32.6559 174.2999 92 N 4.9227 7.7199 121.5096 54.6701 42.4325 174.9474 93 G 4.3304 8.5526 112.0159 44.7616 0.0000 171.1418 94 K 5.0573 8.5305 119.6029 55.3974 33.7217 176.2861 95 K 4.8462 8.5653 121.8914 54.7005 37.1319 175.6628 96 I 4.5386 8.1887 115.5884 59.6331 39.6445 175.5735 97 R 3.8151 7.9371 117.2001 56.7927 29.5139 177.0990 98 V 3.1212 8.5168 117.8204 62.7298 28.9441 172.4210 99 C 5.9221 8.3949 132.5009 59.2317 33.0872 172.9760 100 A 3.8885 7.0038 120.6542 50.7796 19.0007 176.6555 101 K 4.7550 8.5934 135.0000 57.0729 34.5486 175.0136 *102 C 4.3630 8.3223 122.9239 58.0818 28.5244 169.8869 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 R 8.11 4.15 0.00 1.83 1.93 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 3 V 8.19 3.22 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 0.90 0.00 0.00 0.94 0.00 0.00 4 K 8.11 4.21 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.39 7.81 5 M 7.12 4.60 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 6 H 8.47 4.62 0.00 3.22 3.47 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.61 3.68 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 0.74 0.00 0.00 0.95 0.00 0.00 8 K 7.42 4.75 0.00 1.57 1.82 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.39 7.81 9 K 8.14 4.34 0.00 1.76 1.67 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 10 G 8.75 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 0.00 0.00 0.00 11 D 7.58 4.95 0.00 2.63 1.73 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 12 T 8.70 4.72 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 1.21 0.00 0.00 13 V 8.74 4.91 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 0.71 0.00 0.00 0.95 0.00 0.00 14 L 8.63 4.84 0.00 1.78 1.53 0.95 0.77 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 15 V 7.26 4.76 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 0.94 0.00 0.00 1.02 0.00 0.00 16 A 7.41 5.30 1.33 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 17 S 8.83 4.49 0.00 4.04 3.47 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 18 G 8.65 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.32 3.91 0.00 2.04 2.34 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.56 7.81 20 Y 7.59 4.42 0.00 2.84 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 21 K 7.88 3.64 0.00 1.85 1.78 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 22 G 8.92 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 23 R 8.07 4.31 0.00 1.80 1.88 0.00 3.11 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 24 V 8.67 3.96 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 0.75 0.00 0.00 0.94 0.00 0.00 25 G 8.83 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 0.00 0.00 0.00 26 K 8.58 4.86 0.00 1.73 1.76 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.41 7.81 27 V 7.64 3.44 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 0.96 0.00 0.00 0.99 0.00 0.00 28 K 8.29 4.52 0.00 1.87 1.83 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.37 7.81 29 E 8.31 3.61 0.00 2.01 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 0.00 2.24 2.33 0.00 30 V 6.97 3.26 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 0.77 0.00 0.00 0.88 0.00 0.00 31 L 8.00 4.01 0.00 1.81 1.49 0.91 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 32 P 0.00 4.76 0.00 2.18 2.18 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 33 K 8.11 3.25 0.00 1.76 1.97 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 34 K 7.92 4.31 0.00 1.73 1.85 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 35 Y 8.80 3.13 0.00 3.08 2.86 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 36 A 7.03 5.16 1.22 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 0.00 0.00 37 V 7.94 4.44 2.03 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 0.65 0.00 0.00 1.01 0.00 0.00 38 I 8.60 4.09 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.88 0.00 0.00 39 V 7.06 3.35 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 0.72 0.00 0.00 0.91 0.00 0.00 40 E 8.73 4.63 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 2.21 2.26 0.00 41 G 8.01 3.37 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 0.00 42 V 5.45 2.50 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 0.95 0.00 0.00 0.67 0.00 0.00 43 N 7.66 5.12 0.00 2.86 2.74 0.00 0.00 7.04 6.91 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 44 I 7.49 4.30 1.87 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 1.30 0.73 0.94 0.00 0.00 45 V 7.92 4.68 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 0.86 0.00 0.00 0.95 0.00 0.00 46 K 8.79 4.28 0.00 1.72 1.75 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.21 7.81 47 K 7.58 4.54 0.00 1.88 1.87 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.00 1.09 7.81 48 A 6.27 3.83 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 49 V 8.03 4.18 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 0.87 0.00 0.00 1.02 0.00 0.00 50 R 7.93 3.99 0.00 1.99 1.92 0.00 3.27 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 51 V 8.32 3.82 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 0.79 0.00 0.00 0.91 0.00 0.00 52 S 7.59 4.48 0.00 3.91 3.85 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 53 P 0.00 4.41 0.00 2.02 2.09 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 54 K 8.29 3.48 0.00 1.43 1.24 0.00 1.80 0.00 0.00 1.49 0.00 0.00 3.36 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.19 1.33 7.81 55 Y 9.14 3.60 0.00 3.17 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 56 P 0.00 3.70 0.00 2.17 1.59 0.00 3.78 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 2.06 2.19 0.00 57 Q 9.01 4.67 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 58 G 7.99 4.18 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 0.00 59 G 8.80 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 0.00 0.00 0.00 0.00 60 F 8.73 5.39 0.00 2.94 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 61 I 7.58 4.61 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.46 0.94 0.00 0.00 62 E 8.14 3.98 0.00 1.99 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 2.27 2.36 0.00 63 K 6.33 4.59 0.00 1.60 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 64 E 8.92 5.02 0.00 1.79 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 2.24 2.26 0.00 65 A 8.12 4.35 1.16 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 0.00 0.00 66 P 0.00 3.72 0.00 1.98 2.18 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 L 7.90 3.45 0.00 2.01 1.60 0.91 0.93 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 68 H 8.68 4.59 0.00 3.24 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.64 3.86 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 70 S 8.22 4.61 0.00 4.02 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 71 K 8.45 4.27 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.61 7.81 72 V 7.10 4.82 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 0.66 0.00 0.00 0.97 0.00 0.00 73 R 8.59 4.83 0.00 1.73 1.75 0.00 3.14 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 1.56 1.59 0.00 74 P 0.00 5.09 0.00 2.06 2.04 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 75 I 7.54 4.74 2.06 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 1.12 0.90 0.91 0.00 0.00 76 C 9.15 4.61 0.00 2.89 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 77 P 0.00 3.95 0.00 2.14 2.22 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 78 A 6.47 4.46 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 79 C 8.08 4.75 0.00 2.88 2.77 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 80 G 8.36 3.68 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 0.00 0.00 0.00 81 K 8.92 3.99 0.00 1.98 2.19 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.39 7.81 82 P 0.00 4.48 0.00 2.12 1.97 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 2.12 2.14 0.00 83 T 8.40 4.55 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 1.21 0.00 0.00 84 R 8.94 4.92 0.00 1.82 1.83 0.00 3.09 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 85 V 8.21 4.89 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 0.85 0.00 0.00 0.94 0.00 0.00 86 R 8.98 4.79 0.00 1.90 1.73 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 87 K 8.70 4.05 0.00 2.04 2.08 0.00 1.83 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.64 7.81 88 K 8.52 4.04 0.00 1.98 2.10 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.50 7.81 89 F 8.42 4.10 0.00 3.00 3.32 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 90 L 7.49 5.49 0.00 1.83 1.79 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.90 4.30 0.00 1.98 1.75 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 2.26 2.40 0.00 92 N 7.72 4.92 0.00 2.79 2.66 0.00 0.00 6.86 7.86 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 93 G 8.55 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 94 K 8.53 5.06 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 95 K 8.57 4.85 0.00 1.67 1.64 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 96 I 8.19 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 1.40 0.59 0.91 0.00 0.00 97 R 7.94 3.82 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 98 V 8.52 3.12 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 8.39 5.92 0.00 3.03 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 0.00 100 A 7.00 3.89 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 0.00 101 K 8.59 4.76 0.00 1.84 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.15 7.81 *102 C 8.32 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.