NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.3454 8.5298 119.7214 55.6234 33.6245 175.6156 2 T 4.0662 8.3191 112.3817 60.7203 71.2315 174.1326 3 I 3.6768 9.1273 124.3263 65.0548 37.5242 179.5950 4 D 4.3733 8.0262 118.8608 57.2803 40.6839 178.2947 5 E 3.9422 8.2903 119.2601 59.6583 29.4964 179.6627 6 I 3.7326 8.1265 119.9795 64.4156 37.0939 178.5819 7 I 3.7071 8.1611 121.1383 64.2353 36.6690 177.9217 8 E 4.0125 8.6399 119.2053 59.3492 29.7042 178.0647 9 A 4.1314 8.3980 121.0339 55.5763 18.3502 179.7482 10 I 3.7154 8.2698 118.1540 64.5032 37.0314 178.0533 11 E 4.3241 8.2398 115.3428 57.2443 29.1630 177.4622 12 K 4.4675 7.4804 117.9458 56.1121 33.7722 176.7766 13 L 4.3448 7.7017 119.3183 54.6009 42.2541 177.3308 14 T 4.3610 8.7861 112.5935 60.6373 71.5198 175.9490 15 V 3.5676 8.3002 120.3828 66.6549 31.1947 178.2702 16 S 4.1577 7.9581 114.0481 61.5628 62.7787 176.2453 17 E 3.9128 8.0450 121.1912 59.4490 29.1990 179.4772 18 L 3.9833 8.4074 119.2386 57.5816 41.6286 179.1901 19 A 3.9641 8.0018 120.7419 55.4281 18.3404 179.4932 20 E 3.9309 8.9935 117.0917 59.2673 29.4267 179.6768 21 L 3.9216 8.1210 120.4621 58.1525 42.1703 179.1471 22 V 3.5636 7.7816 118.1797 65.7713 31.3878 177.6204 23 K 4.0310 8.1401 119.3001 59.7748 32.0535 178.5797 24 K 3.8865 8.2607 118.6563 59.7586 31.9123 179.2852 25 L 4.2927 8.2368 119.2428 57.8182 41.4930 179.4554 26 E 4.1939 8.4960 118.8830 59.6476 29.2221 179.1665 27 D 4.3442 8.1649 117.9798 56.9927 40.9008 178.4843 28 K 3.9098 7.9434 119.3027 58.7000 32.4192 178.0840 29 F 4.7169 8.4358 114.5509 55.8502 39.9687 176.8422 30 G 4.2110 7.9355 104.4919 45.5404 0.0000 175.4904 31 V 3.6993 8.1503 112.4748 64.4352 31.8848 178.8781 32 T 3.7866 8.0185 115.3963 66.8224 68.4442 175.3762 33 A 4.0852 7.9554 122.6011 54.8544 18.9405 179.0991 34 A 4.1541 8.1528 117.4286 54.4891 18.4883 179.2582 35 A 3.9472 8.5164 120.2096 55.1392 18.1504 178.0345 36 P 4.1598 0.0000 0.0000 65.8973 31.4679 179.0668 37 V 3.5656 7.7577 116.1988 65.5705 31.5568 177.6889 38 A 3.9706 7.8598 120.7354 55.3460 18.1702 179.7515 39 V 3.8221 7.7617 107.5768 62.9595 31.8006 177.7354 40 A 4.3250 7.4451 120.0860 53.9806 19.4509 178.8526 41 A 4.0863 8.3618 119.3805 54.6176 18.4586 179.2800 42 A 3.9200 7.8067 119.2142 55.4745 18.4305 178.2168 43 P 4.1670 0.0000 0.0000 65.4024 31.4095 179.1335 44 V 3.5546 7.6533 116.5961 66.0617 31.4898 177.8874 45 A 4.1502 8.2775 120.6196 54.9233 18.1609 179.8680 46 G 3.5044 8.3790 104.6533 47.7709 0.0000 175.9342 47 A 3.9972 8.0986 122.9098 54.8815 18.3614 179.5783 48 A 3.9309 8.0708 119.1531 55.0174 18.4357 179.5550 49 A 3.9886 8.3604 119.7904 55.3098 18.4274 179.9375 50 G 3.5304 7.9952 103.6399 47.9286 0.0000 175.2200 51 A 3.9519 8.0547 122.6539 54.9223 18.6414 178.9234 52 A 4.1375 8.1591 120.5154 54.8293 18.3727 179.1949 53 Q 4.0669 7.8709 118.3762 58.6946 28.9501 178.4030 54 E 4.1655 8.2377 116.7097 57.4458 29.6690 176.3630 55 E 4.6365 7.9470 117.0147 56.8261 30.9997 175.8355 56 K 3.7145 7.8883 115.1969 57.0923 30.6033 174.5331 57 T 4.0687 7.0694 108.6824 60.4544 70.0244 169.4677 58 E 3.9445 8.2193 132.8606 55.6838 29.7705 173.2456 59 F 5.1240 9.4216 121.4902 55.6885 44.1134 173.1543 60 D 5.4062 8.7417 118.3462 51.6986 43.4683 174.9083 61 V 4.3816 8.5529 118.5246 61.3603 33.8186 174.0254 62 V 4.6602 8.8421 129.2313 61.1828 33.8195 174.4831 63 L 4.6524 8.5413 130.2110 54.5945 42.1015 176.8870 64 K 4.0996 9.5586 129.7182 58.9435 33.6529 176.4876 65 S 4.5218 7.6601 112.7136 56.8185 65.6681 174.6337 66 F 4.5746 8.1965 120.1412 56.3898 38.8355 177.7996 67 G 4.3193 7.5388 109.1735 46.4639 0.0000 174.4411 68 Q 4.2174 8.7524 117.8206 57.6013 29.6184 175.5717 69 N 4.8887 7.8000 116.0514 50.1110 39.3204 173.7639 70 K 3.8288 8.4672 124.5248 59.1565 32.3536 177.8376 71 I 3.6374 7.6956 119.5110 64.3837 37.0785 178.0335 72 Q 3.9810 8.1339 120.3229 59.0664 28.7802 178.4142 73 V 3.6433 7.7545 119.0959 65.9269 31.5177 178.1451 74 I 3.6946 7.9498 119.8074 64.0021 36.9508 178.2144 75 K 3.8706 8.1132 120.5337 59.4763 31.9978 178.9926 76 V 3.6986 7.7122 118.3232 66.0397 31.4844 177.8090 77 V 3.5604 8.0309 118.3965 66.3696 31.2156 177.9659 78 R 3.9266 8.4046 118.4147 59.3444 29.5794 178.4197 79 E 3.9640 7.8062 117.7582 59.3461 29.6013 178.9668 80 I 3.8787 8.3149 119.3294 64.1595 37.3179 177.8581 81 T 4.3555 8.5537 108.5575 61.0996 69.5308 176.0829 82 G 3.9117 8.2146 109.0778 45.1671 0.0000 173.6751 83 L 3.9885 7.5890 121.7758 54.6174 42.7186 177.3867 84 G 4.0679 8.3351 112.5749 43.5712 0.0000 174.5584 85 L 3.9425 8.2701 120.7877 58.0797 42.1498 178.9485 86 K 3.9829 7.9675 118.6288 59.8770 32.5068 178.7482 87 E 4.0305 8.1470 118.2288 58.9474 29.5620 178.8764 88 A 3.9599 8.1749 121.8572 54.7829 18.4716 179.5065 89 K 3.7848 8.2902 118.4916 59.5579 32.0428 178.2159 90 D 4.2970 8.2752 117.4059 57.5237 41.4975 177.6590 91 L 4.0881 8.3333 120.9728 58.3517 42.0955 179.2548 92 V 3.7489 8.1674 118.3719 65.7571 31.2503 177.0788 93 E 4.4431 8.1429 115.3173 57.1195 29.5299 177.8479 94 K 4.4299 7.9515 118.1877 54.7752 32.6196 175.9489 95 A 4.2160 7.3918 122.7877 54.0757 18.6258 177.0537 96 G 4.1039 9.2463 111.5923 46.0917 0.0000 174.3469 97 S 4.4757 8.5634 114.4254 56.7508 63.2026 173.2353 98 P 4.3042 0.0000 0.0000 65.1527 31.2502 176.9248 99 D 4.7748 7.7053 115.7925 53.1431 39.8556 176.4531 100 A 4.3702 7.6513 122.6903 52.5119 18.5907 178.8950 101 V 4.2708 7.5359 121.5081 63.1952 32.1927 175.6451 102 I 3.9730 8.6752 129.8389 63.8947 37.5515 176.1251 103 K 4.5693 7.6113 118.7452 55.6945 34.8583 173.8390 104 S 4.7393 8.4465 116.1276 58.6538 65.3633 174.5695 105 G 3.9572 8.7698 106.3422 45.1339 0.0000 173.8463 106 V 4.2763 7.2997 113.1737 59.3187 33.5931 175.7679 107 S 4.7614 8.4332 116.9623 57.9178 65.0395 175.1826 108 K 3.2546 8.7074 121.7585 59.4755 31.9906 178.3849 109 E 4.1434 8.0950 117.3808 59.4024 29.3771 178.4927 110 E 4.0146 8.0545 120.3353 58.9352 29.6953 178.5481 111 A 4.0580 7.9348 121.0296 54.8896 18.4097 179.5927 112 E 3.8436 8.4145 117.6354 59.6623 29.7408 179.1280 113 E 3.9931 8.5762 118.8984 59.5979 29.4947 179.7542 114 I 3.6937 7.8819 119.5245 64.1637 37.1544 178.0045 115 K 3.7935 8.0267 120.5761 59.6666 31.8572 178.2898 116 K 4.0169 8.5196 119.7655 59.7117 31.8540 178.7686 117 K 4.2546 7.5216 118.2163 58.9841 32.2532 179.0653 118 L 4.1795 8.1710 119.3400 57.6800 41.5368 179.3311 119 E 4.4249 8.3635 120.3280 58.9613 29.5116 179.1043 120 E 4.2472 8.7396 118.2535 58.3039 29.2733 178.0651 121 A 4.6161 7.7943 119.2411 51.8566 19.5747 177.7079 122 G 3.8699 8.5959 106.8613 44.8158 0.0000 173.1490 123 A 4.9179 7.7603 120.9200 50.8417 21.2870 176.3907 124 E 4.7790 8.9920 120.1555 54.8081 31.4357 175.8600 125 V 4.9920 8.2978 123.0746 59.9561 34.8643 174.1717 126 E 4.7853 9.4293 123.7114 54.5111 32.7583 174.4777 127 L 5.5570 8.3170 124.1019 52.6752 44.2816 176.6275 128 K 4.3132 8.5658 119.7474 56.9316 32.9805 176.1363 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 M 8.53 5.35 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 2 T 8.32 4.07 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 1.27 0.00 0.00 3 I 9.13 3.68 1.86 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 1.62 0.57 0.90 0.00 0.00 4 D 8.03 4.37 0.00 2.71 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 5 E 8.29 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 2.33 2.36 0.00 6 I 8.13 3.73 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 0.90 0.00 0.00 7 I 8.16 3.71 2.00 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 1.40 0.92 0.90 0.00 0.00 8 E 8.64 4.01 0.00 2.20 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 2.47 0.00 9 A 8.40 4.13 1.41 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 10 I 8.27 3.72 2.08 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 1.51 0.67 0.90 0.00 0.00 11 E 8.24 4.32 0.00 2.02 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 2.57 0.00 12 K 7.48 4.47 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.49 7.81 13 L 7.70 4.34 0.00 1.73 1.59 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.79 4.36 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 1.28 0.00 0.00 15 V 8.30 3.57 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 0.95 0.00 0.00 16 S 7.96 4.16 0.00 3.90 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 17 E 8.05 3.91 0.00 2.28 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 2.33 2.35 0.00 18 L 8.41 3.98 0.00 1.81 1.71 0.95 0.65 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 19 A 8.00 3.96 1.41 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 20 E 8.99 3.93 0.00 2.08 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 2.34 2.33 0.00 21 L 8.12 3.92 0.00 1.79 1.91 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.78 3.56 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 1.04 0.00 0.00 1.03 0.00 0.00 23 K 8.14 4.03 0.00 1.95 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.50 7.81 24 K 8.26 3.89 0.00 2.10 1.91 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.71 7.81 25 L 8.24 4.29 0.00 1.95 1.80 0.90 1.25 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 26 E 8.50 4.19 0.00 2.21 2.02 0.00 0.00 0.00 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 2.38 0.00 27 D 8.16 4.34 0.00 2.63 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 28 K 7.94 3.91 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.03 7.81 29 F 8.44 4.72 0.00 3.13 3.08 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 30 G 7.94 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 0.00 0.00 0.00 0.00 31 V 8.15 3.70 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 0.73 0.00 0.00 0.95 0.00 0.00 32 T 8.02 3.79 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 1.22 0.00 0.00 33 A 7.96 4.09 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.15 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.52 3.95 1.41 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 36 P 0.00 4.16 0.00 2.14 2.09 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 37 V 7.76 3.57 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 1.10 0.00 0.00 0.88 0.00 0.00 38 A 7.86 3.97 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 39 V 7.76 3.82 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 0.86 0.00 0.00 0.99 0.00 0.00 40 A 7.45 4.33 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 41 A 8.36 4.09 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 42 A 7.81 3.92 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.17 0.00 2.16 2.11 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 44 V 7.65 3.55 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 1.04 0.00 0.00 0.98 0.00 0.00 45 A 8.28 4.15 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 0.00 0.00 0.00 0.00 0.00 46 G 8.38 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.10 4.00 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 48 A 8.07 3.93 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 49 A 8.36 3.99 1.41 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 50 G 8.00 3.53 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 0.00 51 A 8.05 3.95 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 52 A 8.16 4.14 1.42 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 0.00 0.00 0.00 53 Q 7.87 4.07 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 54 E 8.24 4.17 0.00 1.96 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 0.00 2.31 2.49 0.00 55 E 7.95 4.64 0.00 2.05 1.81 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 2.18 2.51 0.00 56 K 7.89 3.71 0.00 1.84 1.95 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 57 T 7.07 4.07 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 1.18 0.00 0.00 58 E 8.22 3.94 0.00 2.04 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 2.21 0.00 59 F 9.42 5.12 0.00 2.91 2.92 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 60 D 8.74 5.41 0.00 2.86 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 61 V 8.55 4.38 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 1.04 0.00 0.00 1.00 0.00 0.00 62 V 8.84 4.66 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 0.82 0.00 0.00 0.95 0.00 0.00 63 L 8.54 4.65 0.00 2.01 1.58 1.02 0.52 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 64 K 9.56 4.10 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.36 7.81 65 S 7.66 4.52 0.00 3.75 3.52 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 66 F 8.20 4.57 0.00 3.06 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 67 G 7.54 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 0.00 0.00 0.00 0.00 68 Q 8.75 4.22 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 69 N 7.80 4.89 0.00 2.69 2.67 0.00 0.00 6.85 5.97 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 70 K 8.47 3.83 0.00 1.38 1.54 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.07 0.41 7.81 71 I 7.70 3.64 2.00 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 1.47 0.97 0.88 0.00 0.00 72 Q 8.13 3.98 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 73 V 7.75 3.64 2.26 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 1.13 0.00 0.00 1.13 0.00 0.00 74 I 7.95 3.69 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.88 0.00 0.00 75 K 8.11 3.87 0.00 1.82 2.01 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 76 V 7.71 3.70 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 0.95 0.00 0.00 0.97 0.00 0.00 77 V 8.03 3.56 2.29 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 0.94 0.00 0.00 1.00 0.00 0.00 78 R 8.40 3.93 0.00 2.00 2.07 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 79 E 7.81 3.96 0.00 2.23 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 2.34 2.55 0.00 80 I 8.31 3.88 2.00 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 1.58 0.69 0.92 0.00 0.00 81 T 8.55 4.36 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 1.30 0.00 0.00 82 G 8.21 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 83 L 7.59 3.99 0.00 1.62 1.58 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.34 4.07 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 0.00 0.00 0.00 85 L 8.27 3.94 0.00 1.76 1.66 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.97 3.98 0.00 2.01 2.04 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 87 E 8.15 4.03 0.00 2.18 2.25 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 2.51 2.34 0.00 88 A 8.17 3.96 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.29 3.78 0.00 1.85 1.96 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.35 7.81 90 D 8.28 4.30 0.00 2.77 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 91 L 8.33 4.09 0.00 1.83 1.88 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.17 3.75 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 0.94 0.00 0.00 0.99 0.00 0.00 93 E 8.14 4.44 0.00 2.11 2.02 0.00 0.00 0.00 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 2.52 0.00 94 K 7.95 4.43 0.00 2.03 1.86 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.68 7.81 95 A 7.39 4.22 1.42 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 0.00 0.00 0.00 96 G 9.25 4.10 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 0.00 0.00 0.00 97 S 8.56 4.48 0.00 3.80 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 98 P 0.00 4.30 0.00 2.09 2.11 0.00 3.72 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 2.03 2.08 0.00 99 D 7.71 4.77 0.00 2.76 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 0.00 100 A 7.65 4.37 1.42 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 0.00 0.00 0.00 101 V 7.54 4.27 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 0.89 0.00 0.00 0.98 0.00 0.00 102 I 8.68 3.97 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.93 0.00 0.00 103 K 7.61 4.57 0.00 1.75 1.61 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 104 S 8.45 4.74 0.00 3.99 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 0.00 105 G 8.77 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 0.00 106 V 7.30 4.28 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 0.94 0.00 0.00 1.12 0.00 0.00 107 S 8.43 4.76 0.00 4.15 4.10 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 0.00 108 K 8.71 3.25 0.00 1.47 1.73 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.23 7.81 109 E 8.09 4.14 0.00 2.21 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 2.37 2.56 0.00 110 E 8.05 4.01 0.00 2.04 2.19 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 2.33 2.34 0.00 111 A 7.93 4.06 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 0.00 112 E 8.41 3.84 0.00 2.13 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 2.25 2.32 0.00 113 E 8.58 3.99 0.00 2.14 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 2.33 2.46 0.00 114 I 7.88 3.69 2.01 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 1.42 0.88 0.92 0.00 0.00 115 K 8.03 3.79 0.00 1.94 2.02 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.47 7.81 116 K 8.52 4.02 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.49 7.81 117 K 7.52 4.25 0.00 1.99 1.87 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 118 L 8.17 4.18 0.00 1.86 1.73 0.94 0.82 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 0.00 119 E 8.36 4.42 0.00 2.23 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 2.42 2.28 0.00 120 E 8.74 4.25 0.00 2.14 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 2.33 2.52 0.00 121 A 7.79 4.62 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 0.00 0.00 0.00 0.00 0.00 122 G 8.60 3.87 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 0.00 0.00 0.00 123 A 7.76 4.92 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 0.00 124 E 8.99 4.78 0.00 1.95 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 2.23 2.21 0.00 125 V 8.30 4.99 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 0.73 0.00 0.00 0.96 0.00 0.00 126 E 9.43 4.79 0.00 1.98 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 2.19 2.24 0.00 127 L 8.32 5.56 0.00 1.52 1.54 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.57 4.31 0.00 1.83 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81