NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9599 8.3544 109.7369 45.6716 0.0000 172.8762 2 S 4.3502 8.1739 113.3542 56.3002 65.2810 172.1343 3 S 4.8145 8.6490 123.5580 57.3015 66.3497 175.8350 4 G 4.4130 8.0111 118.8249 45.2071 0.0000 176.6931 5 S 4.8191 8.7721 118.3594 55.9147 64.7984 173.1638 6 S 5.0228 8.4701 116.6895 56.7469 66.7844 174.8888 7 G 4.1934 7.8749 111.3306 44.9025 0.0000 176.0869 8 R 3.7994 8.8806 127.0459 56.1956 30.9305 174.3679 9 K 4.6462 8.0527 124.2325 55.6794 34.7950 175.4817 10 F 5.4272 8.8191 119.0301 56.6362 43.9834 173.8737 11 T 5.0957 8.8534 112.1251 59.5190 71.5519 173.7259 12 E 3.9324 8.5918 117.4509 56.4789 29.2494 176.6529 13 K 4.5923 7.9082 118.6497 56.7774 33.2475 176.2503 14 H 5.0004 8.3018 112.8210 56.8615 26.5814 173.2894 15 E 5.2335 7.8096 119.6795 54.2188 31.8095 174.6162 16 W 5.0229 8.5171 123.1223 54.6814 31.5867 174.4864 17 I 5.5193 8.4426 121.0231 59.3777 40.7635 174.3076 18 T 4.6017 9.0056 119.9316 60.8043 71.4708 173.7113 19 T 4.8243 8.2263 112.2052 60.1489 71.1357 173.4465 20 E 4.4138 8.6544 126.3901 55.8221 33.3620 175.0824 21 E 3.8007 9.9176 123.7569 57.0940 28.1502 174.2571 22 G 3.8182 8.4118 101.7032 45.6928 0.0000 173.5929 23 I 4.3058 7.8445 120.9029 59.0523 39.9559 175.1338 24 G 4.5982 9.2737 116.1298 44.8500 0.0000 172.2466 25 T 4.7670 8.3365 124.2193 62.2670 70.0982 174.5563 26 V 3.9115 8.5146 127.0218 61.9326 33.6176 174.8247 27 G 3.2905 6.6073 112.0600 45.6502 0.0000 171.9523 28 I 5.2091 8.4973 113.5935 59.1221 40.5223 175.4020 29 S 5.4279 8.8742 118.0675 57.5213 64.9014 175.0524 30 N 4.5262 9.1308 117.9545 55.9194 37.0297 176.9759 31 F 4.2640 8.2482 122.1917 60.8515 39.3394 176.8953 32 A 4.0242 8.1256 120.5898 54.7475 17.9698 179.5234 33 Q 3.9600 8.0752 115.7013 59.2690 28.6729 178.1889 34 E 4.0195 8.1005 119.4498 58.3367 29.5521 178.3267 35 A 4.1542 6.9460 119.4085 54.2503 19.3040 178.8640 36 L 4.0053 7.8275 118.2527 58.9181 42.7245 176.6237 37 G 3.7718 8.1407 103.5488 44.2091 0.0000 173.5812 38 D 4.4998 8.5799 122.7717 52.9191 40.6111 176.4981 39 V 3.8958 8.1904 126.7478 63.1678 32.2008 175.8527 40 V 4.4372 8.4107 117.7658 61.6469 34.2751 175.0963 41 Y 5.0606 8.1800 119.9857 55.8224 42.5943 174.8498 42 C 4.4516 7.1939 118.6335 56.9933 32.1961 173.9522 43 S 4.3084 8.8135 122.5789 57.3197 62.9919 173.4104 44 L 5.2549 8.0156 124.3295 51.9053 44.8973 175.4390 45 P 4.6240 0.0000 0.0000 62.7359 32.8273 174.5583 46 E 4.5831 8.5059 118.2201 54.2591 31.1477 175.8607 47 V 3.5584 8.3647 122.6508 65.1951 31.7613 175.7960 48 G 4.0632 8.8821 114.6752 45.4183 0.0000 172.9707 49 T 4.4249 7.4699 116.3034 62.1166 70.5618 174.6673 50 K 4.5388 8.5794 125.4436 55.5120 31.6039 176.4695 51 L 4.4942 8.3902 125.6797 54.0554 43.4041 176.0400 52 K 4.6578 8.3026 119.1702 53.9253 35.6720 176.0551 53 K 3.8488 8.6901 123.4048 57.3667 32.6422 176.6447 54 Q 3.5501 8.2885 125.5581 57.5764 26.8957 173.0762 55 E 4.9002 7.8126 116.8647 54.0705 33.7409 174.7073 56 E 4.2587 9.3137 126.9013 55.8924 29.4341 175.6820 57 F 4.7311 8.3118 122.6252 58.2484 40.3258 175.3211 58 G 4.2776 6.1652 103.7579 46.5022 0.0000 171.7266 59 A 4.8708 7.8995 119.6387 50.1747 23.2231 174.9995 60 L 4.9691 8.5272 118.5205 52.9003 45.7563 175.7777 61 E 4.9367 8.7835 121.7321 54.7538 32.6929 175.3887 62 S 5.3502 8.3706 119.7666 56.1085 66.1984 175.2561 63 V 3.6646 8.0070 117.4393 63.5174 30.7662 176.6525 64 K 4.1510 6.8452 120.0518 57.0341 33.0854 176.9884 65 A 4.5849 8.1520 118.6303 51.0610 22.8353 174.3431 66 A 5.0380 8.1286 120.5811 50.9095 22.1026 176.3231 67 S 4.5745 8.4398 112.5477 57.2612 66.1935 173.4663 68 E 4.3394 8.8803 126.6135 56.0738 30.0416 175.8335 69 L 4.6850 7.7541 122.5167 53.0828 44.5307 175.1823 70 Y 5.1391 8.4762 119.3817 56.0880 41.7962 175.2523 71 S 4.3470 9.1082 118.1671 57.7058 63.3160 173.4560 72 P 4.2399 0.0000 0.0000 65.3206 31.4194 176.1642 73 L 4.7925 7.2682 115.6460 52.1233 44.4293 175.3256 74 S 4.4011 8.4957 115.0838 58.5802 63.3624 172.9684 75 G 4.1837 7.9678 113.4237 46.1577 0.0000 170.9291 76 E 4.9152 7.8809 122.4654 53.9404 33.0604 176.5454 77 V 3.7915 8.3258 127.3236 63.9933 31.8763 176.4654 78 T 4.1939 9.0109 119.7975 64.2125 70.0278 174.1429 79 E 4.8521 7.7944 120.5026 55.5224 33.3081 174.0805 80 V 4.7777 8.3372 114.2709 58.9857 35.9752 175.1218 81 N 3.2696 7.1513 120.8496 54.0341 38.7872 174.6774 82 E 4.2255 8.9107 125.5448 57.5446 30.8200 178.6637 83 A 4.0637 8.0963 121.2483 55.1218 17.3564 179.6174 84 L 3.9981 7.9443 116.4501 57.4724 41.3791 179.2825 85 A 4.2081 7.3471 119.2502 54.3065 18.2379 178.3435 86 E 4.6182 7.5022 115.7290 56.5624 32.3527 176.4123 87 N 4.9324 8.1413 117.2477 49.4692 36.8368 172.7881 88 P 4.5709 0.0000 0.0000 64.8595 31.8232 178.1671 89 G 3.3382 7.9675 106.1065 47.2333 0.0000 175.4133 90 L 3.9563 7.6816 121.9797 58.5647 41.4836 179.8313 91 V 4.2238 7.0003 117.3526 66.4399 31.4456 177.3510 92 N 4.7365 8.2515 117.6473 55.4478 38.5134 177.0142 93 K 4.1769 7.9320 119.5661 57.8670 32.8763 177.6011 94 S 4.6729 8.3727 115.9209 56.7993 65.4770 174.3301 95 C 4.2607 8.7165 120.6318 60.6971 30.2500 174.0513 96 Y 5.0092 7.2083 116.2225 58.8817 38.5732 176.7555 97 E 3.7961 7.4874 116.0234 59.3707 30.0270 177.4895 98 D 5.2322 7.9614 118.7748 54.3522 43.8391 176.9404 99 G 3.9204 8.2038 109.2587 44.7927 0.0000 174.6595 100 W 4.7902 8.0339 116.7977 55.0643 28.5859 175.8031 101 L 3.9325 8.2299 123.7684 57.5644 41.3021 177.7764 102 I 4.8364 8.0424 109.1237 59.9202 42.2407 172.9053 103 K 4.9980 9.1893 121.1047 54.8681 35.4548 175.8418 104 M 5.3108 9.0123 121.8511 53.6800 35.4779 174.5960 105 T 4.5552 7.8983 109.5156 60.9582 71.0252 174.0778 106 L 4.5217 8.2115 121.1967 53.5297 42.6008 177.1184 107 S 4.3514 8.2659 120.2507 60.7508 63.3831 175.2792 108 D 4.7905 7.5404 120.9000 51.0544 40.7968 174.1125 109 P 4.5330 0.0000 0.0000 63.8388 31.2005 178.0022 110 S 4.1313 7.8973 113.8240 61.3853 62.3806 175.4526 111 E 4.0864 8.0026 121.7279 58.9706 29.0782 178.7461 112 L 4.2447 7.6541 118.8221 57.7680 41.3667 179.0429 113 D 4.3643 7.5924 116.6112 56.9661 41.2284 177.0175 114 E 4.0824 8.4338 116.7493 58.2751 30.0262 176.6785 115 L 4.3904 7.2513 119.6633 54.8056 43.4459 175.7276 116 M 4.6792 8.4432 118.8885 54.1533 34.0784 176.8148 117 S 4.8079 8.8094 119.2200 57.9935 64.5260 175.0440 118 E 3.7702 8.5047 121.5249 60.0726 29.6418 178.6444 119 E 3.9748 8.4598 118.4179 59.2873 29.5725 178.1721 120 A 3.9999 8.0362 119.6386 55.7072 18.6708 178.6221 121 Y 4.0560 8.5958 118.1261 61.1379 38.4805 178.7156 122 E 3.9378 8.4441 119.4849 59.3569 29.8257 179.3754 123 K 3.9847 8.4533 118.4735 58.8455 31.8146 178.3170 124 Y 4.1149 7.6444 118.4067 59.2049 39.3198 176.6572 125 V 3.5059 7.4540 118.9809 64.3291 31.5323 177.9721 126 K 3.9337 8.1293 119.2900 59.7600 32.7978 179.2163 127 S 4.1292 7.5536 114.5610 60.4143 62.3888 176.1475 128 I 3.6624 6.7488 122.2373 63.6922 36.8746 176.2982 129 E 4.4483 7.7920 115.6192 56.5150 31.2240 175.7611 130 E 4.1998 7.5255 121.6622 56.2873 29.6393 175.5807 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 1 G 8.35 3.96 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 0.00 0.00 0.00 2 S 8.17 4.35 0.00 3.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.81 0.00 3.90 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 4 G 8.01 4.41 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 0.00 5 S 8.77 4.82 0.00 3.96 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 6 S 8.47 5.02 0.00 3.96 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 7 G 7.87 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.88 3.80 0.00 1.76 1.76 0.00 2.86 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.18 0.00 9 K 8.05 4.65 0.00 1.90 1.64 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.52 7.81 10 F 8.82 5.43 0.00 3.20 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 11 T 8.85 5.10 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 1.23 0.00 0.00 12 E 8.59 3.93 0.00 2.07 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 2.28 0.00 13 K 7.91 4.59 0.00 1.88 1.95 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.57 7.81 14 H 8.30 5.00 0.00 3.57 3.65 0.00 5.58 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.81 5.23 0.00 1.99 1.80 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 2.16 2.18 0.00 16 W 8.52 5.02 0.00 2.55 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 17 I 8.44 5.52 1.77 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 0.88 1.10 0.85 0.00 0.00 18 T 9.01 4.60 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 0.88 0.00 0.00 19 T 8.23 4.82 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 1.19 0.00 0.00 20 E 8.65 4.41 0.00 1.89 1.79 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 2.18 2.19 0.00 21 E 9.92 3.80 0.00 2.01 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 2.17 2.32 0.00 22 G 8.41 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.84 4.31 2.00 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 1.12 1.39 0.89 0.00 0.00 24 G 9.27 4.60 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 25 T 8.34 4.77 4.53 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 1.49 0.00 0.00 26 V 8.51 3.91 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 0.74 0.00 0.00 0.68 0.00 0.00 27 G 6.61 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 0.00 0.00 0.00 28 I 8.50 5.21 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.97 0.00 0.00 29 S 8.87 5.43 0.00 4.36 4.57 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 0.00 0.00 0.00 0.00 30 N 9.13 4.53 0.00 2.98 3.17 0.00 0.00 5.76 8.20 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 31 F 8.25 4.26 0.00 3.42 3.27 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 32 A 8.13 4.02 1.53 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 33 Q 8.08 3.96 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 34 E 8.10 4.02 0.00 2.01 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 2.34 2.47 0.00 35 A 6.95 4.15 1.09 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 0.00 0.00 0.00 36 L 7.83 4.01 0.00 1.81 1.70 0.92 1.49 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 37 G 8.14 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 38 D 8.58 4.50 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 39 V 8.19 3.90 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 0.95 0.00 0.00 0.94 0.00 0.00 40 V 8.41 4.44 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 0.85 0.00 0.00 1.02 0.00 0.00 41 Y 8.18 5.06 0.00 3.00 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 42 C 7.19 4.45 0.00 2.76 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 43 S 8.81 4.31 0.00 3.91 3.78 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 44 L 8.02 5.25 0.00 1.42 1.53 0.76 1.15 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 45 P 0.00 4.62 0.00 2.11 2.17 0.00 3.90 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 46 E 8.51 4.58 0.00 2.04 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 2.31 2.27 0.00 47 V 8.36 3.56 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 0.86 0.00 0.00 1.00 0.00 0.00 48 G 8.88 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 49 T 7.47 4.42 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 1.23 0.00 0.00 50 K 8.58 4.54 0.00 1.62 1.79 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 51 L 8.39 4.49 0.00 1.54 1.59 0.82 0.72 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 52 K 8.30 4.66 0.00 1.63 1.70 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 53 K 8.69 3.85 0.00 1.77 1.73 0.00 2.05 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 Q 8.29 3.55 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.37 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 55 E 7.81 4.90 0.00 2.12 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 2.41 0.00 56 E 9.31 4.26 0.00 1.98 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 2.01 1.75 0.00 57 F 8.31 4.73 0.00 3.01 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 58 G 6.17 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 59 A 7.90 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.53 4.97 0.00 1.55 1.51 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.78 4.94 0.00 2.00 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 2.24 2.32 0.00 62 S 8.37 5.35 0.00 3.93 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 63 V 8.01 3.66 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 0.79 0.00 0.00 0.93 0.00 0.00 64 K 6.85 4.15 0.00 2.04 1.78 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.36 7.81 65 A 8.15 4.58 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 0.00 0.00 0.00 0.00 0.00 66 A 8.13 5.04 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 67 S 8.44 4.57 0.00 3.91 3.66 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 68 E 8.88 4.34 0.00 1.90 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 2.19 2.29 0.00 69 L 7.75 4.69 0.00 0.51 1.24 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.48 5.14 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 71 S 9.11 4.35 0.00 3.91 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 72 P 0.00 4.24 0.00 2.17 2.21 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 73 L 7.27 4.79 0.00 1.54 1.54 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.50 4.40 0.00 4.00 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 75 G 7.97 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 76 E 7.88 4.92 0.00 2.17 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 2.18 2.21 0.00 77 V 8.33 3.79 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 0.92 0.00 0.00 0.97 0.00 0.00 78 T 9.01 4.19 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 1.26 0.00 0.00 79 E 7.79 4.85 0.00 2.13 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 2.39 2.67 0.00 80 V 8.34 4.78 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 0.84 0.00 0.00 0.93 0.00 0.00 81 N 7.15 3.27 0.00 1.88 2.19 0.00 0.00 6.59 7.42 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 82 E 8.91 4.23 0.00 2.08 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 2.59 2.29 0.00 83 A 8.10 4.06 1.38 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 0.00 0.00 0.00 84 L 7.94 4.00 0.00 1.54 1.62 0.69 0.84 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 85 A 7.35 4.21 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 86 E 7.50 4.62 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 2.27 0.00 87 N 8.14 4.93 0.00 2.83 2.89 0.00 0.00 6.80 7.67 0.00 0.00 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 P 0.00 4.57 0.00 2.25 2.37 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 89 G 7.97 3.34 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 0.00 90 L 7.68 3.96 0.00 1.65 1.79 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.00 4.22 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 1.23 0.00 0.00 0.96 0.00 0.00 92 N 8.25 4.74 0.00 2.75 2.82 0.00 0.00 7.35 7.52 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 93 K 7.93 4.18 0.00 1.73 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 94 S 8.37 4.67 0.00 3.81 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 95 C 8.72 4.26 0.00 3.07 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 96 Y 7.21 5.01 0.00 2.77 2.41 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 97 E 7.49 3.80 0.00 1.99 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 2.30 2.33 0.00 98 D 7.96 5.23 0.00 2.70 2.82 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 0.00 0.00 0.00 99 G 8.20 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 0.00 100 W 8.03 4.79 0.00 3.73 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 0.00 101 L 8.23 3.93 0.00 1.67 1.72 1.01 0.68 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 0.00 102 I 8.04 4.84 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.84 0.82 0.00 0.00 103 K 9.19 5.00 0.00 1.72 1.62 0.00 0.99 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.97 7.81 104 M 9.01 5.31 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 105 T 7.90 4.56 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 1.19 0.00 0.00 106 L 8.21 4.52 0.00 1.50 1.62 0.90 0.83 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 0.00 107 S 8.27 4.35 0.00 4.04 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 0.00 108 D 7.54 4.79 0.00 2.64 2.53 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 0.00 109 P 0.00 4.53 0.00 2.25 2.27 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 110 S 7.90 4.13 0.00 3.91 3.89 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 0.00 111 E 8.00 4.09 0.00 1.97 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 2.32 2.49 0.00 112 L 7.65 4.24 0.00 1.92 1.73 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.59 4.36 0.00 2.69 2.83 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 0.00 114 E 8.43 4.08 0.00 2.05 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 2.45 2.52 0.00 115 L 7.25 4.39 0.00 1.71 1.93 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.44 4.68 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 117 S 8.81 4.81 0.00 3.84 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 0.00 118 E 8.50 3.77 0.00 2.18 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 0.00 2.37 2.42 0.00 119 E 8.46 3.97 0.00 2.16 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 0.00 2.41 2.48 0.00 120 A 8.04 4.00 1.38 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 0.00 0.00 0.00 121 Y 8.60 4.06 0.00 2.83 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 0.00 122 E 8.44 3.94 0.00 2.24 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 2.49 2.77 0.00 123 K 8.45 3.98 0.00 1.95 1.86 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 124 Y 7.64 4.11 0.00 2.91 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 0.00 125 V 7.45 3.51 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 0.42 0.00 0.00 -0.46 0.00 0.00 126 K 8.13 3.93 0.00 1.95 2.11 0.00 1.33 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.40 7.81 127 S 7.55 4.13 0.00 3.77 3.82 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 0.00 0.00 0.00 128 I 6.75 3.66 1.85 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 1.37 0.34 1.00 0.00 0.00 129 E 7.79 4.45 0.00 1.99 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 0.00 2.35 2.22 0.00 130 E 7.53 4.20 0.00 1.98 1.86 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 2.25 2.36 0.00