NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6458 8.2233 120.3151 53.0120 41.0051 175.6788 3 R 3.8199 8.2975 116.8729 58.8621 29.8247 177.6516 4 L 4.0588 8.7922 119.9392 57.6549 42.0037 178.6678 5 D 4.3344 8.4136 119.1047 57.2243 40.6558 178.6726 6 R 3.8593 7.9509 119.1906 59.4234 29.7384 178.6373 7 K 3.9267 8.0204 118.2110 59.4704 32.0108 179.3221 8 I 3.7498 7.6974 119.8529 64.5623 37.0721 178.5325 9 L 3.9921 8.1446 119.9039 57.7702 41.1574 179.6119 10 R 3.8854 8.0673 118.2516 59.3108 30.2781 178.4311 11 I 3.9384 7.4613 118.3571 64.2530 36.7426 178.2180 12 L 4.1540 8.0367 119.8524 58.0752 41.2318 179.6915 13 Q 4.0818 8.1720 116.8092 58.4386 28.6242 177.9290 14 E 4.5833 7.8940 118.8332 57.3313 29.9579 176.1290 15 D 4.2437 7.3249 113.2099 54.0596 43.9898 174.8949 16 S 4.7206 8.8502 121.0550 58.3379 63.3106 174.9541 17 T 4.2314 8.0711 111.7803 63.1349 69.2418 175.4359 18 L 4.0538 7.7622 122.1105 54.3296 42.4310 177.2698 19 A 4.1885 8.4776 124.3544 52.0551 20.3201 179.3053 20 V 3.6591 8.5156 122.7123 64.9785 31.3106 178.7455 21 A 4.1051 7.9137 122.1858 54.4935 18.2321 179.1121 22 D 4.3406 8.0529 117.0595 56.9827 41.0544 178.5100 23 L 3.8930 8.0157 120.8059 58.0561 42.0562 178.4400 24 A 3.9984 8.0558 120.7723 55.4747 18.1418 179.3906 25 K 3.8231 7.8144 117.5549 59.8180 32.0477 179.1557 26 K 4.0669 7.9275 117.4032 58.8724 32.0007 178.7385 27 V 4.2068 7.8184 110.2084 60.5344 31.7493 176.3246 28 G 3.8951 7.8057 106.5078 46.2757 0.0000 173.6336 29 L 4.8539 7.8401 118.1487 51.9951 44.9719 176.9600 30 S 4.4327 8.2981 115.5525 58.3092 63.7730 175.6340 31 T 3.9164 8.5401 117.8083 67.1228 68.2259 177.0854 32 T 3.9824 7.8719 116.9981 66.4554 68.7516 174.7494 33 P 4.4526 0.0000 0.0000 65.5964 31.2814 178.3277 34 C 4.1095 7.9785 117.7108 62.1793 31.4951 175.1422 35 W 4.1740 8.5667 130.3249 60.8960 30.4138 178.0810 36 R 3.6056 8.8049 118.0929 59.2193 29.2042 179.3797 37 R 3.9007 7.6531 116.8288 59.1373 30.1300 178.8111 38 I 3.7511 7.3401 118.6588 64.2392 37.3044 177.7610 39 Q 3.8346 7.6578 120.6352 58.9061 28.5872 179.1424 40 K 3.9660 7.4193 116.3710 57.2932 31.9715 177.9497 *42 E 4.3712 8.0706 117.9006 56.1425 31.3702 177.8282 43 E 3.9141 8.2862 116.8169 59.7225 29.4849 178.6235 44 D 4.3410 8.2180 116.5944 55.3547 40.9753 177.6311 45 G 3.8987 7.9461 107.0448 45.5611 0.0000 174.8010 46 V 3.5962 7.7792 119.4771 65.7125 31.5880 176.4507 47 I 4.0349 7.5624 121.8869 60.7336 36.9606 175.7999 48 R 4.2034 8.5082 123.1050 58.0983 30.2347 176.3430 49 R 4.4510 7.1727 111.3518 55.5140 31.5483 173.5314 50 R 4.6977 8.4571 117.0184 54.5011 32.7800 175.8931 51 V 4.5079 8.0117 113.8017 59.3741 35.8023 174.7736 52 A 4.3079 8.4599 124.9828 51.7157 19.2341 176.9818 53 L 4.7196 8.3907 121.8982 52.9454 43.7113 176.2739 54 L 4.6248 8.2146 122.6342 52.9750 44.3941 175.9349 55 D 4.6085 8.3256 119.7718 52.9534 41.9934 175.2613 56 P 4.2333 0.0000 0.0000 65.9784 31.4969 178.5863 57 V 3.5499 7.9496 117.8692 65.6215 31.2037 177.8357 58 K 4.2972 8.0269 116.2028 57.7218 32.2262 177.8413 59 V 4.1549 7.3045 110.7022 60.4390 31.7255 175.0450 60 N 4.2263 7.7073 115.7914 55.3738 37.6587 174.0887 61 T 4.7166 8.0198 102.3243 60.5854 68.9357 174.6191 62 K 4.0862 8.0380 119.7087 59.1594 34.0143 176.8572 63 V 4.2737 8.1542 121.7731 61.8574 33.3006 174.4739 64 T 4.9759 8.4188 123.8888 61.7984 71.1012 173.3810 65 V 4.3043 8.4383 125.8986 60.8673 34.7482 174.0171 66 F 4.8691 9.3352 126.9785 56.0056 40.8886 174.8595 67 V 4.6447 9.0224 125.5183 61.4553 33.3538 174.6050 68 S 5.2898 9.4568 125.6338 57.5721 64.4632 173.3401 69 I 5.1790 9.1722 126.2788 59.5845 40.1742 174.8621 70 R 5.1924 9.3954 125.1124 54.8519 33.1152 175.2251 71 T 4.9179 9.5001 119.3783 61.5936 71.6466 173.9935 72 A 4.2376 8.0814 126.2549 50.9333 19.8309 177.3590 73 S 4.1249 8.0278 115.3691 59.2299 63.1805 174.0622 74 H 4.6460 8.0600 120.6622 52.8133 32.7894 173.9980 75 S 4.4490 8.6194 119.0916 59.0860 64.8600 176.0149 76 I 3.8648 8.4371 123.7708 65.4647 35.1010 179.4421 77 E 4.2692 8.2283 118.6172 59.0951 29.4390 178.8260 78 W 4.0979 8.2841 128.2726 60.6152 30.8515 177.9455 79 L 4.4813 8.7234 121.3872 58.6286 41.2245 180.3338 80 K 4.0735 8.2041 123.6404 59.7810 31.5951 181.0596 81 R 4.1022 8.1713 119.6369 58.7421 30.0447 178.1624 82 F 3.6546 8.3406 121.1568 61.2810 39.2755 177.3583 83 S 4.2976 8.2687 113.5558 61.2197 62.3927 176.2290 84 E 3.9423 8.0522 122.1544 59.3397 28.9377 179.6036 85 V 3.5594 7.3651 111.5371 64.0202 32.0903 178.4818 86 V 3.7417 7.4795 118.0761 66.0630 31.0053 178.3146 87 S 4.2451 7.8230 113.9097 61.4607 62.6824 176.2040 88 E 4.0849 7.5575 119.4757 57.5484 29.5832 177.4190 89 F 4.2315 7.6404 119.2765 56.4516 39.3419 174.7105 90 P 4.3524 0.0000 0.0000 65.6365 31.6195 177.3914 91 E 3.9260 8.2031 117.9209 58.2344 30.6033 176.6507 92 V 3.8210 7.5035 119.6754 62.2018 30.7065 175.9134 93 V 4.1592 8.5749 122.1937 62.4350 32.6513 176.5385 94 E 4.8263 7.9227 118.7823 54.9457 34.3012 174.3937 95 F 5.5028 8.1297 124.6882 57.7859 42.2806 172.7960 96 Y 4.7464 9.7033 124.0307 56.1805 41.7290 175.2277 97 R 4.3335 8.5581 123.4154 55.4091 31.6265 175.3541 *99 S 4.1285 8.4316 116.9654 58.4865 63.1581 173.6147 100 G 3.8549 8.2827 104.9588 44.3347 0.0000 173.7641 101 D 4.5868 8.6342 117.5335 56.4159 41.1443 176.6983 102 V 4.4634 6.9014 117.5313 61.1698 33.4686 175.1169 103 D 4.5603 8.8483 126.0532 56.8942 41.5900 176.3715 104 Y 5.2519 8.7265 114.7099 56.0989 42.7815 174.2878 105 L 5.4183 9.5677 124.4424 53.4941 45.2319 175.0454 106 L 5.4190 9.4055 126.3942 53.0678 45.0068 175.1941 107 R 4.4321 8.8186 123.0394 54.4804 32.1749 174.8718 108 V 5.1133 8.3111 126.1159 60.0978 34.6668 174.4120 109 V 4.9323 7.9612 119.5121 59.8838 34.5562 175.1160 110 V 4.5267 8.3790 116.4530 59.7479 36.1787 173.5933 111 P 4.3765 0.0000 0.0000 65.6832 31.7438 176.1296 112 D 4.5631 7.6328 116.8367 51.2075 42.9925 176.1481 113 I 3.8002 8.2473 119.7785 64.6439 36.9964 178.4012 114 A 4.0387 8.0751 120.6755 55.2499 18.3233 179.3324 115 A 4.0321 8.9476 119.6632 55.3300 18.2966 179.3631 116 Y 4.0944 8.1633 118.1417 60.9149 39.0001 177.1545 117 D 4.3117 8.8524 119.2346 57.7726 41.1316 178.5710 118 A 4.0656 8.2137 120.6526 54.6385 18.0569 179.5308 119 F 3.9470 7.7720 118.7945 61.6097 39.6088 176.0917 120 Y 3.4257 7.3960 117.8642 60.7066 38.5810 178.2254 121 K 4.0594 7.9723 118.9710 59.2722 31.7024 179.6952 122 R 4.1737 7.2714 115.8780 56.7572 29.6518 178.2762 *124 I 3.4991 7.7872 120.2636 60.6540 39.6271 176.5392 125 A 4.0677 7.5563 122.3413 54.4902 18.2230 178.3383 126 K 4.3217 7.3669 113.3143 56.7483 32.9276 176.3181 127 I 4.7544 7.3293 110.4258 58.8428 40.7426 174.1375 128 E 4.8033 8.8155 119.8261 54.4968 32.4565 175.6611 129 I 4.6029 8.2590 116.7859 59.5061 39.9475 174.5520 130 R 4.1678 9.1918 128.1306 59.1763 30.3229 176.1113 131 D 4.8765 8.3232 117.3310 52.6768 45.4009 174.1964 132 V 4.9720 8.7028 122.9265 61.1052 34.3990 174.4128 133 S 4.7109 9.4650 122.4208 56.7597 64.9761 172.6050 134 S 5.1464 8.8495 123.2355 57.2790 64.5169 173.6304 135 A 4.7046 8.7690 125.3206 50.1744 21.8545 174.8918 136 F 4.7080 9.0277 121.6463 56.5598 40.1798 176.5950 137 A 4.2863 8.6160 126.4716 51.5493 19.6351 175.9330 *139 E 3.8771 8.5016 116.0408 56.3120 30.3697 176.0301 140 Q 4.3916 8.4438 126.6695 54.9239 28.4102 175.2720 141 I 3.9703 8.3465 126.7764 63.3484 37.6053 177.0051 142 K 4.6097 7.7753 118.7040 54.6404 34.9976 174.6903 143 Y 4.6366 8.5290 125.9407 56.4718 40.9170 173.7622 144 T 4.4774 7.9028 121.0332 60.4464 70.5123 173.3666 145 T 4.2009 8.0478 114.7557 61.3701 69.7523 174.5695 146 E 4.1983 7.7562 123.3092 56.3735 29.6729 176.8049 147 L 4.3533 8.7092 124.9935 53.1293 42.6245 175.2058 148 P 4.4044 0.0000 0.0000 63.1428 31.4662 176.2503 149 L 4.5877 8.4570 122.4240 55.2151 42.5474 178.4307 150 D 4.0056 7.8736 117.7363 55.3146 40.0226 181.7326 151 Y 4.4905 6.8463 116.1052 56.8935 36.5669 175.7929 *153 L 4.1252 7.7897 122.3970 54.8235 42.1385 177.0286 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 D 8.22 4.65 0.00 2.91 2.91 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 3 R 8.30 3.82 0.00 1.95 2.01 0.00 3.12 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 4 L 8.79 4.06 0.00 1.81 1.71 0.93 1.15 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 5 D 8.41 4.33 0.00 2.90 2.70 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 6 R 7.95 3.86 0.00 1.89 2.10 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 7 K 8.02 3.93 0.00 2.03 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.59 7.81 8 I 7.70 3.75 2.01 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 1.53 0.76 0.90 0.00 0.00 9 L 8.14 3.99 0.00 1.81 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.07 3.89 0.00 1.89 2.13 0.00 3.25 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 11 I 7.46 3.94 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.92 0.00 0.00 12 L 8.04 4.15 0.00 1.69 1.72 0.91 0.79 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 13 Q 8.17 4.08 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 14 E 7.89 4.58 0.00 2.12 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 2.41 2.34 0.00 15 D 7.32 4.24 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.72 0.00 4.01 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 17 T 8.07 4.23 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 18 L 7.76 4.05 0.00 1.68 1.67 0.93 0.80 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 19 A 8.48 4.19 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 8.52 3.66 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 0.93 0.00 0.00 1.12 0.00 0.00 21 A 7.91 4.11 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 22 D 8.05 4.34 0.00 2.84 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 23 L 8.02 3.89 0.00 1.76 1.80 0.94 1.00 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 24 A 8.06 4.00 1.56 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 0.00 0.00 25 K 7.81 3.82 0.00 1.89 1.98 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 26 K 7.93 4.07 0.00 1.95 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.62 7.81 27 V 7.82 4.21 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 0.74 0.00 0.00 1.06 0.00 0.00 28 G 7.81 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 0.00 0.00 0.00 29 L 7.84 4.85 0.00 1.59 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.30 4.43 0.00 4.01 4.01 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 31 T 8.54 3.92 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 1.22 0.00 0.00 32 T 7.87 3.98 4.28 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 1.29 0.00 0.00 33 P 0.00 4.45 0.00 2.19 2.14 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 34 C 7.98 4.11 0.00 3.09 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 35 W 8.57 4.17 0.00 3.44 3.45 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 36 R 8.80 3.61 0.00 1.94 1.99 0.00 3.37 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.31 0.00 37 R 7.65 3.90 0.00 1.98 2.06 0.00 3.27 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 1.65 1.78 0.00 38 I 7.34 3.75 1.83 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 1.37 0.53 0.85 0.00 0.00 39 Q 7.66 3.83 0.00 1.03 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 40 K 7.42 3.97 0.00 1.97 1.68 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.59 7.81 *42 E 8.07 4.37 0.00 2.17 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 2.24 2.46 0.00 43 E 8.29 3.91 0.00 2.08 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 2.31 2.30 0.00 44 D 8.22 4.34 0.00 2.65 2.70 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 45 G 7.95 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 0.00 0.00 0.00 46 V 7.78 3.60 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 0.82 0.00 0.00 0.92 0.00 0.00 47 I 7.56 4.03 1.84 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 1.45 0.62 0.90 0.00 0.00 48 R 8.51 4.20 0.00 1.91 2.04 0.00 3.07 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 49 R 7.17 4.45 0.00 1.88 1.90 0.00 2.98 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 50 R 8.46 4.70 0.00 1.78 1.85 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 51 V 8.01 4.51 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 0.74 0.00 0.00 0.96 0.00 0.00 52 A 8.46 4.31 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 53 L 8.39 4.72 0.00 1.67 1.66 1.00 1.04 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 54 L 8.21 4.62 0.00 1.61 1.57 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.33 4.61 0.00 2.71 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 56 P 0.00 4.23 0.00 2.24 2.19 0.00 3.73 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 2.02 1.91 0.00 57 V 7.95 3.55 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 1.02 0.00 0.00 0.92 0.00 0.00 58 K 8.03 4.30 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 59 V 7.30 4.15 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 0.65 0.00 0.00 0.96 0.00 0.00 60 N 7.71 4.23 0.00 2.90 2.88 0.00 0.00 6.84 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 61 T 8.02 4.72 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 1.21 0.00 0.00 62 K 8.04 4.09 0.00 1.88 1.96 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 63 V 8.15 4.27 2.28 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 1.11 0.00 0.00 1.01 0.00 0.00 64 T 8.42 4.98 4.21 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 0.87 0.00 0.00 65 V 8.44 4.30 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 -0.32 0.00 0.00 0.25 0.00 0.00 66 F 9.34 4.87 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 4.64 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 1.24 0.00 0.00 1.08 0.00 0.00 68 S 9.46 5.29 0.00 3.97 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 69 I 9.17 5.18 2.25 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 1.12 0.00 0.00 70 R 9.40 5.19 0.00 1.74 1.84 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 71 T 9.50 4.92 4.32 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 0.99 0.00 0.00 72 A 8.08 4.24 0.99 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 0.00 0.00 73 S 8.03 4.12 0.00 3.69 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 74 H 8.06 4.65 0.00 2.55 2.77 0.00 5.90 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 S 8.62 4.45 0.00 4.11 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 76 I 8.44 3.86 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 1.64 0.69 0.91 0.00 0.00 77 E 8.23 4.27 0.00 2.06 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 0.00 2.45 2.35 0.00 78 W 8.28 4.10 0.00 3.46 3.36 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 79 L 8.72 4.48 0.00 1.98 2.04 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.20 4.07 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 81 R 8.17 4.10 0.00 1.96 1.71 0.00 2.99 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 82 F 8.34 3.65 0.00 1.66 2.78 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 83 S 8.27 4.30 0.00 4.12 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 84 E 8.05 3.94 0.00 2.23 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 2.33 2.22 0.00 85 V 7.37 3.56 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 0.59 0.00 0.00 0.80 0.00 0.00 86 V 7.48 3.74 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 0.25 0.00 0.00 0.05 0.00 0.00 87 S 7.82 4.25 0.00 4.13 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 88 E 7.56 4.08 0.00 1.77 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 2.22 2.36 0.00 89 F 7.64 4.23 0.00 3.29 3.29 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 90 P 0.00 4.35 0.00 2.16 2.18 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 91 E 8.20 3.93 0.00 1.42 1.63 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 2.24 2.28 0.00 92 V 7.50 3.82 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 0.57 0.00 0.00 0.95 0.00 0.00 93 V 8.57 4.16 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 0.69 0.00 0.00 0.90 0.00 0.00 94 E 7.92 4.83 0.00 2.06 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 2.43 2.41 0.00 95 F 8.13 5.50 0.00 2.77 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 96 Y 9.70 4.75 0.00 3.01 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 97 R 8.56 4.33 0.00 1.70 1.73 0.00 3.17 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.00 *99 S 8.43 4.13 0.00 4.02 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 0.00 100 G 8.28 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 0.00 0.00 0.00 101 D 8.63 4.59 0.00 2.67 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 0.00 102 V 6.90 4.46 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 0.99 0.00 0.00 0.99 0.00 0.00 103 D 8.85 4.56 0.00 3.04 2.78 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 0.00 104 Y 8.73 5.25 0.00 3.17 3.29 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 0.00 105 L 9.57 5.42 0.00 1.89 1.74 1.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.41 5.42 0.00 1.69 1.51 1.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.82 4.43 0.00 1.69 1.68 0.00 2.81 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.00 108 V 8.31 5.11 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 0.45 0.00 0.00 0.66 0.00 0.00 109 V 7.96 4.93 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 0.61 0.00 0.00 0.81 0.00 0.00 110 V 8.38 4.53 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 0.63 0.00 0.00 1.10 0.00 0.00 111 P 0.00 4.38 0.00 2.19 2.50 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 112 D 7.63 4.56 0.00 2.93 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 0.00 113 I 8.25 3.80 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.18 0.88 0.00 0.00 114 A 8.08 4.04 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 0.00 115 A 8.95 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.16 4.09 0.00 3.30 3.44 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 0.00 117 D 8.85 4.31 0.00 2.86 2.89 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 0.00 118 A 8.21 4.07 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 F 7.77 3.95 0.00 2.98 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 0.00 120 Y 7.40 3.43 0.00 2.35 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 0.00 121 K 7.97 4.06 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.63 7.81 122 R 7.27 4.17 0.00 1.82 2.04 0.00 3.21 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 *124 I 7.79 3.50 1.23 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.46 0.72 0.00 0.00 125 A 7.56 4.07 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 0.00 126 K 7.37 4.32 0.00 1.80 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.33 7.81 127 I 7.33 4.75 2.05 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 1.30 0.64 0.76 0.00 0.00 128 E 8.82 4.80 0.00 2.09 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 2.25 2.25 0.00 129 I 8.26 4.60 1.98 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 1.11 0.59 1.09 0.00 0.00 130 R 9.19 4.17 0.00 1.86 2.05 0.00 3.21 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 131 D 8.32 4.88 0.00 2.76 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 0.00 132 V 8.70 4.97 2.39 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 1.07 0.00 0.00 1.08 0.00 0.00 133 S 9.46 4.71 0.00 3.91 3.74 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 0.00 134 S 8.85 5.15 0.00 3.70 3.29 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 0.00 135 A 8.77 4.70 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 0.00 136 F 9.03 4.71 0.00 2.88 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 0.00 137 A 8.62 4.29 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 *139 E 8.50 3.88 0.00 1.99 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 0.00 2.22 2.33 0.00 140 Q 8.44 4.39 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 141 I 8.35 3.97 1.90 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 1.32 0.68 0.93 0.00 0.00 142 K 7.78 4.61 0.00 1.68 1.65 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.42 7.81 143 Y 8.53 4.64 0.00 2.93 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 0.00 144 T 7.90 4.48 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 1.16 0.00 0.00 145 T 8.05 4.20 4.21 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 1.12 0.00 0.00 146 E 7.76 4.20 0.00 1.99 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 0.00 2.39 2.25 0.00 147 L 8.71 4.35 0.00 1.65 1.62 0.93 1.07 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 0.00 148 P 0.00 4.40 0.00 2.39 2.16 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 149 L 8.46 4.59 0.00 1.69 1.69 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.87 4.01 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 6.85 4.49 0.00 2.82 2.91 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 *153 L 7.79 4.13 0.00 1.69 1.64 0.93 0.99 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 * Residues marked with a * may have inaccurate shift predictions.