NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3260 8.4293 120.2277 56.0525 30.0844 175.3234 3 S 4.1998 8.1291 119.0527 56.6865 63.8606 173.7610 4 K 4.1709 8.3061 121.8107 58.1161 33.1529 178.6457 5 R 4.3216 7.6774 114.2425 56.8542 29.9031 177.7575 6 N 4.4956 7.8678 116.4582 55.8271 39.2026 175.9948 7 K 4.2233 7.7913 116.7164 55.5353 32.8185 175.3274 8 P 4.8076 0.0000 0.0000 62.9117 32.3155 175.3340 9 G 3.8802 8.4977 107.3914 45.6113 0.0000 172.2336 10 K 5.0040 8.2397 119.1302 54.7623 34.9708 176.0476 11 A 4.5829 8.5450 124.9244 52.3051 19.6242 176.6791 12 T 4.8451 9.6364 111.8012 60.2424 72.5890 172.3004 13 G 4.7978 8.5549 108.0539 43.5358 0.0000 173.6632 14 K 4.2188 8.9339 120.9960 56.3479 34.4862 177.2952 15 G 3.9217 9.7614 105.2790 44.4410 0.0000 172.3171 16 K 4.4637 8.0973 117.3118 54.7242 36.6113 172.9412 17 P 4.5917 0.0000 0.0000 61.7016 32.1362 175.8446 18 V 4.3660 7.8612 120.5212 60.7029 34.4490 172.5190 19 G 4.2755 8.2431 108.7347 44.2842 0.0000 172.5889 20 D 4.7793 8.6715 117.4390 53.9687 40.5354 176.3818 21 K 4.6509 7.8808 121.9975 55.3774 31.7200 175.9476 22 W 4.6421 8.2288 116.8607 57.7127 29.5545 177.1384 23 L 4.5687 7.4032 119.3185 54.8134 41.7250 177.1836 24 D 4.6769 8.0354 119.0806 56.5869 42.2078 179.0572 25 D 4.3481 8.2499 118.1183 57.3126 41.4206 178.9584 26 A 4.2490 7.6306 123.8479 55.0611 18.3986 179.3387 27 G 4.1226 8.2806 103.0228 46.3833 0.0000 173.6658 28 K 4.5477 7.9645 120.9141 56.1595 35.1834 176.2241 29 D 4.2690 8.6381 120.0940 53.8531 41.8551 175.9527 30 S 3.9604 8.6442 112.6656 60.9123 62.5024 173.3456 31 G 3.7670 7.8709 103.6540 43.9637 0.0000 172.7573 32 A 4.3215 8.3312 121.3153 51.0647 19.1022 177.1269 33 P 4.8974 0.0000 0.0000 62.4487 33.6215 174.3262 34 I 4.5473 8.1573 118.9216 58.8252 40.8183 174.1876 35 P 4.5680 0.0000 0.0000 63.0967 31.4668 177.1642 36 D 4.5000 8.4876 123.2602 55.7576 39.7751 179.4082 37 R 3.8586 7.7443 119.5152 59.2316 29.9105 178.7399 38 I 3.5837 7.4695 117.3979 64.1721 37.4054 177.7726 39 A 4.1552 7.9780 121.5394 55.4907 18.2386 179.4081 40 D 4.2920 8.1146 117.1819 57.4949 40.7021 179.1727 41 K 4.1753 7.8103 117.2438 58.5247 31.8030 177.4782 42 L 4.7636 7.4979 114.5865 53.3172 43.9832 176.1228 43 R 4.0180 8.0814 119.8041 58.0277 30.5989 175.7778 44 D 4.3617 9.1434 125.8666 55.6475 38.2516 174.6140 45 K 4.3381 7.6648 117.6304 54.1418 35.2405 177.1832 46 E 3.9917 8.6741 126.9609 56.4572 29.9393 175.6907 47 F 4.7863 9.0715 126.9059 55.7185 41.1717 177.5550 48 K 4.0049 9.0456 124.2239 59.2824 32.5442 176.9251 49 S 5.1156 7.7432 110.1689 56.1152 65.3902 174.5354 50 F 4.1193 8.7158 122.7252 60.6587 38.5452 176.9154 51 D 4.4279 7.8977 118.2203 57.4904 40.4357 177.9856 52 D 4.3848 7.9913 117.9921 57.1576 41.4482 177.6676 53 F 2.9155 7.9091 120.6196 60.7973 39.3413 176.7872 54 R 3.2534 7.1686 117.6227 59.1709 29.8951 177.9686 55 K 3.9951 7.6807 119.1544 59.0273 31.7745 178.2439 56 A 4.0233 7.3476 119.9244 54.1572 18.1279 179.8895 57 V 3.0301 6.9922 117.3281 65.7697 31.5846 178.3161 58 W 4.4184 7.4885 118.1951 59.7229 29.0127 178.0183 59 E 4.2566 8.2368 120.6455 58.6510 28.8632 178.5722 60 E 4.1160 7.7831 118.2013 58.7248 29.3963 179.1024 61 V 3.7088 7.4444 117.9368 65.7697 31.3434 177.8989 62 S 4.4612 8.1964 115.7176 60.6765 62.8577 176.3989 63 K 4.3881 7.8329 120.0001 57.0435 32.0555 176.5599 64 D 4.6120 7.5900 120.0261 52.3238 40.4536 174.9582 65 P 4.3266 0.0000 0.0000 65.4357 31.9628 178.9337 66 E 4.1366 8.3846 117.8260 59.5061 29.0083 179.0303 67 L 4.4396 9.1626 119.4338 57.6505 41.5553 179.5700 68 S 4.0094 8.0621 115.1173 60.9896 62.4590 176.2509 69 K 3.9379 7.4607 120.7363 58.8933 31.7956 176.5399 70 N 4.8485 7.4694 114.9178 53.0014 38.8827 173.9182 71 L 4.8192 7.5522 116.1773 52.1216 44.3772 176.2076 72 N 4.6215 8.3887 118.8696 51.9720 37.9539 174.1467 73 P 4.4203 0.0000 0.0000 64.5661 31.3469 177.3441 74 S 4.6396 7.8140 113.8629 59.2088 64.4154 175.7633 75 N 4.4828 8.3700 117.4107 54.9843 38.5036 177.3459 76 K 3.9977 8.1442 118.8957 59.4901 32.4267 178.9743 77 S 4.2862 8.0566 114.9023 61.9160 62.8267 176.0938 78 S 4.2108 7.5524 117.2609 62.4432 62.5836 177.4977 79 V 3.8306 7.7716 114.1058 64.6193 31.1663 178.6794 80 S 4.3436 7.8509 113.0200 60.0097 62.6134 174.7553 81 K 4.3367 7.4975 120.7362 55.3989 32.7496 175.3291 82 G 3.7340 8.3377 104.3508 47.1614 0.0000 173.0277 83 Y 4.9274 7.8496 114.6873 55.5252 41.6298 177.5161 84 S 2.7900 8.4269 117.4362 57.1294 63.4104 172.1202 85 P 4.3413 0.0000 0.0000 62.3424 32.6241 175.7153 86 F 4.5940 8.6855 119.9665 57.8758 39.7859 175.0637 87 T 4.0392 7.9942 112.3008 59.4522 70.7153 172.7892 88 P 4.3656 0.0000 0.0000 62.0525 32.0632 177.7461 89 K 3.8093 8.7026 122.6600 59.5508 32.1775 178.4319 90 N 4.5089 8.0437 114.2419 54.6555 37.7449 175.4590 91 Q 4.3291 8.0734 117.6499 56.4272 29.6519 175.8215 92 Q 4.3543 7.3604 116.8526 55.2443 29.6398 175.6721 93 V 4.2644 8.0951 119.4002 61.7774 34.2195 176.9083 94 G 3.8285 8.3550 118.2670 46.9328 0.0000 173.2963 95 G 3.9786 8.6694 108.2482 45.5523 0.0000 173.8301 96 R 4.4323 8.2104 121.5299 54.0918 30.9251 174.8821 97 K 4.4031 8.4030 123.7397 56.1253 34.4214 176.9543 98 V 4.3733 7.2767 111.1987 59.6285 33.5873 175.2986 99 Y 4.4968 7.8399 119.1995 58.3715 38.6758 175.8578 100 E 4.7919 9.2908 121.5011 54.6917 33.4669 175.0323 101 L 4.6582 9.0038 125.1363 54.3707 42.2143 175.2562 102 H 4.8446 9.1622 125.1395 54.0234 32.1069 173.7107 103 A 4.1126 8.3711 127.4352 51.8373 17.7286 176.3569 104 D 4.3721 9.1575 121.7410 58.4562 41.1145 176.7508 105 K 4.1908 9.1787 119.7533 54.7306 33.0852 175.1678 106 P 4.3513 0.0000 0.0000 62.6862 32.2733 177.4250 107 I 4.1285 8.6309 122.3273 63.9722 37.2902 178.6265 108 S 4.1244 8.0827 113.5037 61.2404 62.6720 174.6476 109 Q 4.3241 8.0170 118.1122 55.8455 28.4084 176.2539 110 G 3.9113 8.2573 105.6175 45.1460 0.0000 174.5201 111 G 3.6018 7.8164 109.5197 45.1237 0.0000 173.0479 112 E 4.4717 8.4533 125.2944 55.0377 30.8746 176.2206 113 V 3.3982 8.3014 125.8863 66.1796 32.0296 177.7351 114 Y 4.4305 7.8413 116.0549 58.3086 38.3641 175.2218 115 D 4.8948 7.5498 121.9163 52.5466 39.9016 176.0700 116 M 3.7242 9.1316 125.4043 58.0860 32.7410 178.9239 117 D 4.3828 8.2615 117.7834 56.6509 41.4284 177.2510 118 N 4.5785 9.0628 117.8769 54.4133 39.4744 174.1693 119 I 4.6755 7.1954 119.7042 61.1642 37.9131 175.6748 120 R 4.8064 9.0375 125.3900 54.3528 34.2370 174.4642 121 V 4.9038 8.4894 122.4258 61.7612 33.5222 174.8275 122 T 5.7542 9.0268 117.0619 58.8719 72.7814 173.3952 123 T 4.4516 8.6894 113.1878 60.8168 70.1704 173.6334 124 P 4.2256 0.0000 0.0000 65.9395 31.3482 178.5275 125 K 3.8979 8.3081 118.3551 59.4116 31.9974 178.8532 126 R 3.8304 7.9110 118.3845 59.8134 30.0231 177.4184 127 H 4.0718 8.5207 116.9244 59.6607 29.7444 176.7922 128 I 3.8078 7.9647 121.1655 64.6014 36.9494 178.1609 129 D 4.3850 7.9126 119.2920 57.3938 40.4517 178.9036 130 I 3.7614 8.4829 120.7437 64.5667 36.8427 177.1716 131 H 4.6460 7.6136 115.5691 56.9700 29.5339 174.9967 132 R 4.4226 7.6612 116.1259 57.3114 32.8562 175.6426 133 G 3.7407 8.7818 112.1725 45.9330 0.0000 173.0946 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 8.43 4.33 0.00 1.99 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 0.00 2.23 2.32 0.00 3 S 8.13 4.20 0.00 4.05 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 4 K 8.31 4.17 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 5 R 7.68 4.32 0.00 1.84 1.84 0.00 2.75 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 6 N 7.87 4.50 0.00 2.99 2.94 0.00 0.00 6.94 7.39 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 7 K 7.79 4.22 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 8 P 0.00 4.81 0.00 1.93 2.10 0.00 3.80 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 2.05 2.13 0.00 9 G 8.50 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 0.00 0.00 0.00 10 K 8.24 5.00 0.00 1.68 1.69 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.38 7.81 11 A 8.54 4.58 1.65 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 0.00 0.00 12 T 9.64 4.85 4.27 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 1.23 0.00 0.00 13 G 8.55 4.80 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 0.00 0.00 0.00 14 K 8.93 4.22 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.46 7.81 15 G 9.76 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.10 4.46 0.00 1.90 1.63 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.50 7.81 17 P 0.00 4.59 0.00 2.12 2.01 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 18 V 7.86 4.37 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 0.36 0.00 0.00 1.01 0.00 0.00 19 G 8.24 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 0.00 0.00 0.00 0.00 20 D 8.67 4.78 0.00 3.01 3.10 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 21 K 7.88 4.65 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.43 7.81 22 W 8.23 4.64 0.00 3.59 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 23 L 7.40 4.57 0.00 1.31 1.28 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.04 4.68 0.00 2.80 2.71 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 25 D 8.25 4.35 0.00 2.89 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 26 A 7.63 4.25 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 27 G 8.28 4.12 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 0.00 28 K 7.96 4.55 0.00 1.93 1.72 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.36 7.81 29 D 8.64 4.27 0.00 2.88 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 30 S 8.64 3.96 0.00 3.88 3.97 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 0.00 0.00 0.00 31 G 7.87 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 0.00 0.00 0.00 32 A 8.33 4.32 1.47 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 0.00 0.00 33 P 0.00 4.90 0.00 2.10 2.16 0.00 3.87 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 2.05 2.01 0.00 34 I 8.16 4.55 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 1.05 0.00 0.00 35 P 0.00 4.57 0.00 1.80 1.49 0.00 3.46 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.00 36 D 8.49 4.50 0.00 2.79 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 37 R 7.74 3.86 0.00 1.72 1.94 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 38 I 7.47 3.58 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.73 0.00 0.00 39 A 7.98 4.16 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 40 D 8.11 4.29 0.00 2.69 2.72 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 0.00 0.00 0.00 41 K 7.81 4.18 0.00 1.98 2.03 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.60 7.81 42 L 7.50 4.76 0.00 1.75 1.81 0.83 0.94 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 43 R 8.08 4.02 0.00 1.94 1.89 0.00 3.39 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 44 D 9.14 4.36 0.00 2.82 2.72 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 0.00 0.00 0.00 45 K 7.66 4.34 0.00 1.55 0.98 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.45 7.81 46 E 8.67 3.99 0.00 1.85 1.76 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 2.19 2.22 0.00 47 F 9.07 4.79 0.00 3.08 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 48 K 9.05 4.00 0.00 1.91 2.05 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 S 7.74 5.12 0.00 4.13 4.08 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 50 F 8.72 4.12 0.00 2.78 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 51 D 7.90 4.43 0.00 2.94 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 52 D 7.99 4.38 0.00 2.91 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 53 F 7.91 2.92 0.00 2.84 2.61 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 54 R 7.17 3.25 0.00 1.79 1.82 0.00 3.50 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 55 K 7.68 4.00 0.00 1.81 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.20 7.81 56 A 7.35 4.02 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 57 V 6.99 3.03 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 0.37 0.00 0.00 -0.34 0.00 0.00 58 W 7.49 4.42 0.00 3.37 3.12 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 59 E 8.24 4.26 0.00 2.26 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 2.31 2.21 0.00 60 E 7.78 4.12 0.00 2.14 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 2.42 2.39 0.00 61 V 7.44 3.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.13 0.00 0.00 62 S 8.20 4.46 0.00 4.14 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 0.00 63 K 7.83 4.39 0.00 1.77 1.92 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 64 D 7.59 4.61 0.00 2.83 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 65 P 0.00 4.33 0.00 2.09 2.12 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 2.03 2.12 0.00 66 E 8.38 4.14 0.00 2.07 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 2.40 2.33 0.00 67 L 9.16 4.44 0.00 1.83 2.15 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.06 4.01 0.00 3.98 3.97 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 0.00 0.00 0.00 69 K 7.46 3.94 0.00 2.14 1.91 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.64 7.81 70 N 7.47 4.85 0.00 2.69 2.82 0.00 0.00 7.07 7.66 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 71 L 7.55 4.82 0.00 1.70 1.56 0.94 1.02 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 72 N 8.39 4.62 0.00 2.95 2.97 0.00 0.00 6.13 7.76 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 73 P 0.00 4.42 0.00 2.07 2.17 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 74 S 7.81 4.64 0.00 3.87 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 75 N 8.37 4.48 0.00 2.91 2.84 0.00 0.00 6.84 6.26 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 76 K 8.14 4.00 0.00 1.75 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.58 7.81 77 S 8.06 4.29 0.00 4.11 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 78 S 7.55 4.21 0.00 3.77 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 79 V 7.77 3.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.10 0.00 0.00 80 S 7.85 4.34 0.00 4.06 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 81 K 7.50 4.34 0.00 1.73 1.75 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.34 7.81 82 G 8.34 3.73 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 0.00 0.00 0.00 83 Y 7.85 4.93 0.00 2.76 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 84 S 8.43 2.79 0.00 3.74 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.08 1.94 0.00 2.20 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 86 F 8.69 4.59 0.00 2.87 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 87 T 7.99 4.04 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 0.33 0.00 0.00 88 P 0.00 4.37 0.00 2.34 1.99 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 89 K 8.70 3.81 0.00 1.77 1.77 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 90 N 8.04 4.51 0.00 2.86 2.92 0.00 0.00 5.97 7.39 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 91 Q 8.07 4.33 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 92 Q 7.36 4.35 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 93 V 8.10 4.26 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 1.05 0.00 0.00 0.92 0.00 0.00 94 G 8.35 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 0.00 0.00 0.00 95 G 8.67 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 0.00 0.00 0.00 96 R 8.21 4.43 0.00 1.83 1.82 0.00 3.05 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 97 K 8.40 4.40 0.00 2.00 2.04 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.44 7.81 98 V 7.28 4.37 1.84 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 0.09 0.00 0.00 0.82 0.00 0.00 99 Y 7.84 4.50 0.00 2.83 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 0.00 100 E 9.29 4.79 0.00 1.94 1.88 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 2.28 2.45 0.00 101 L 9.00 4.66 0.00 1.82 1.87 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.16 4.84 0.00 3.05 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.37 4.11 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.16 4.37 0.00 2.73 2.97 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 0.00 0.00 0.00 105 K 9.18 4.19 0.00 1.71 1.78 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 106 P 0.00 4.35 0.00 2.20 1.96 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 107 I 8.63 4.13 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.93 0.87 0.00 0.00 108 S 8.08 4.12 0.00 3.96 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 0.00 109 Q 8.02 4.32 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 110 G 8.26 3.91 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 0.00 111 G 7.82 3.60 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 0.00 0.00 0.00 112 E 8.45 4.47 0.00 1.92 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 2.29 2.40 0.00 113 V 8.30 3.40 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 0.08 0.00 0.00 0.74 0.00 0.00 114 Y 7.84 4.43 0.00 3.16 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 0.00 115 D 7.55 4.89 0.00 2.73 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 0.00 116 M 9.13 3.72 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.89 0.00 117 D 8.26 4.38 0.00 2.90 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 0.00 118 N 9.06 4.58 0.00 2.87 2.95 0.00 0.00 7.04 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 0.00 119 I 7.20 4.68 2.09 0.00 0.00 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 1.31 0.68 1.04 0.00 0.00 120 R 9.04 4.81 0.00 1.78 1.84 0.00 3.31 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 121 V 8.49 4.90 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 1.09 0.00 0.00 1.14 0.00 0.00 122 T 9.03 5.75 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 1.24 0.00 0.00 123 T 8.69 4.45 4.38 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 1.39 0.00 0.00 124 P 0.00 4.23 0.00 2.28 2.18 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 125 K 8.31 3.90 0.00 1.91 1.81 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 126 R 7.91 3.83 0.00 2.09 2.06 0.00 3.33 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 127 H 8.52 4.07 0.00 3.11 3.49 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.96 3.81 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.80 0.90 0.00 0.00 129 D 7.91 4.38 0.00 2.86 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 0.00 130 I 8.48 3.76 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.90 0.00 0.00 131 H 7.61 4.65 0.00 3.20 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.66 4.42 0.00 1.90 1.81 0.00 3.37 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 133 G 8.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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