NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2569 8.3144 119.9989 56.6693 34.6797 176.1332 2 E 3.8725 8.0296 120.3503 53.9391 30.1337 175.3284 3 T 4.4045 8.6474 118.7431 60.5043 72.8460 175.0887 4 A 3.9875 8.4299 121.9500 55.2047 18.4086 179.7137 5 A 3.9238 7.9514 118.6008 55.3016 18.5802 179.5756 6 A 4.1858 7.9342 118.9180 55.1065 18.3599 179.7656 7 K 4.0212 8.4199 118.5063 59.6789 32.2926 178.7850 8 F 4.1534 8.3592 120.9705 61.2766 39.2347 176.9732 9 E 4.0598 8.3850 117.9091 59.5184 29.1241 179.2394 10 R 3.8863 7.9342 117.3620 59.6674 30.2132 178.2361 11 Q 3.9346 8.0097 116.6098 58.0625 28.9758 176.2877 12 H 4.6015 7.9295 113.6675 53.6896 31.6374 173.0058 13 M 4.7417 8.1471 118.9521 53.8821 33.4032 176.2682 14 D 4.8004 9.0621 123.9091 52.3154 41.6500 175.1860 15 S 4.5600 8.3308 113.2123 57.9996 63.8397 176.3398 16 S 4.2978 8.2534 116.6114 61.1784 63.2932 174.8232 17 T 4.4986 7.8218 110.1063 59.6772 70.3436 174.0278 18 S 4.6089 8.4286 114.6603 58.2735 64.8955 174.1606 19 A 4.4763 7.4502 121.5328 50.4308 22.2125 175.5975 20 A 3.7633 9.1238 125.8777 50.9889 18.3695 177.2999 21 S 4.0553 7.3582 116.1071 59.2537 64.2755 170.0596 22 S 3.8907 8.7145 123.0594 57.4874 61.9407 170.9150 23 S 4.3292 8.7767 121.9236 60.0740 62.9868 174.0630 24 N 4.7816 7.9145 119.8279 53.8066 39.2843 175.5368 25 Y 3.9835 8.1943 119.3771 61.5826 38.8298 177.4496 26 C 4.2103 8.2016 116.9582 60.0461 38.5784 175.7740 27 N 4.4452 8.2213 117.4694 56.5353 38.1918 177.3151 28 Q 3.9526 8.0234 119.0447 59.3071 28.8658 178.7321 29 M 3.7670 7.9905 121.2233 58.0214 31.7623 178.7388 30 M 4.0278 8.3231 119.1537 58.0977 32.0088 178.8885 31 K 4.0379 7.8763 120.4519 58.9580 32.1313 179.1697 32 S 4.1534 8.1070 114.5311 61.1861 62.5993 175.6319 33 R 4.2700 7.8737 118.7958 55.3711 30.2249 175.7887 34 N 4.2587 7.9806 115.1656 54.7508 36.2265 174.8056 35 L 4.5234 8.3113 116.8862 54.9967 42.3705 177.9487 36 T 5.6464 7.8276 107.1619 59.9674 69.8192 175.8051 37 K 4.2381 8.3205 122.4031 59.2870 32.7875 177.1785 38 D 4.8685 8.0014 115.5491 51.8686 40.5226 175.2273 39 R 3.3583 7.0125 116.7536 56.3343 30.7168 173.6576 40 C 4.9521 8.4276 116.3241 55.0728 40.3673 174.0079 41 K 4.1742 8.3370 127.8934 55.8217 32.3337 175.1402 42 P 4.7344 0.0000 0.0000 65.5831 32.5260 176.2650 43 V 5.1065 7.5271 117.6262 61.6077 34.9091 173.5997 44 N 4.6041 8.9416 122.5396 52.9480 43.0841 173.0124 45 T 4.9467 7.8744 121.1886 61.6732 71.9054 172.8211 46 F 4.8794 9.1209 124.5043 55.6204 42.2901 174.5303 47 V 4.5744 9.1713 123.6806 61.3547 33.2674 175.5666 48 H 5.6233 8.7430 128.5270 53.6441 26.2474 173.5746 49 E 4.7788 7.7066 118.5638 53.3855 34.4917 176.2364 50 S 4.4329 8.3548 114.9734 58.1516 65.1700 175.1654 51 L 4.0362 8.5048 122.8194 58.0461 41.5494 179.6352 52 A 4.0017 7.9923 120.1553 55.3831 18.1342 179.3072 53 D 4.3379 7.8712 116.2364 57.4581 41.2809 178.8589 54 V 3.8261 7.7875 118.4413 65.6987 31.6061 178.3018 55 K 3.9021 8.3482 118.3765 59.2415 31.8954 179.0174 56 A 4.0798 7.9577 120.3138 54.5234 18.1540 179.6692 57 V 3.6276 7.5201 116.6193 65.9066 31.3442 176.7534 58 C 3.8362 7.7750 114.2231 57.6574 39.9036 173.9977 59 S 4.6918 7.4319 114.2915 57.9824 64.0108 174.4618 60 Q 4.5847 7.4495 120.7189 56.2480 27.5723 177.9878 61 K 4.2845 8.8661 131.9343 56.6678 32.8611 175.0246 62 K 4.1163 8.6834 129.9095 56.3883 32.5755 176.1756 63 V 4.6469 8.5168 119.9259 59.6139 36.7593 174.7160 64 T 4.2327 8.2820 112.1716 61.7631 69.5835 175.3168 65 C 4.7141 8.8162 122.1311 55.9811 41.2716 175.0362 66 K 3.8206 8.8578 121.1159 59.5074 31.5443 178.2839 67 N 4.5160 8.0139 113.4398 53.0814 37.7691 175.7176 68 G 3.9593 7.9455 107.8742 45.4803 0.0000 173.9628 69 Q 4.2740 8.6263 119.6190 56.1860 29.3446 176.3739 70 T 4.5738 8.2545 106.2695 61.5942 69.3621 173.4837 71 N 4.9397 7.9706 118.4731 53.9844 38.5987 174.9348 72 C 5.4046 7.4742 115.7629 56.6521 44.6869 172.7583 73 Y 5.2613 9.0958 118.1361 56.4897 41.7656 174.0020 74 Q 5.1281 9.1331 124.5901 54.0489 31.4824 175.0078 75 S 4.5192 8.8198 121.6898 58.3976 63.3743 174.4391 76 K 4.0447 10.0342 124.4132 59.3187 31.9326 176.7943 77 S 5.0156 7.6287 109.7158 55.9657 66.1623 173.3919 78 T 4.1462 8.2206 109.9666 62.1022 69.6053 173.4812 79 M 5.0317 9.0671 121.1444 53.4198 37.1593 174.9004 80 R 4.6670 10.0526 122.0335 56.3196 31.3063 176.0112 81 I 5.2528 8.8879 116.8031 59.4928 42.0127 174.1939 82 T 5.0804 9.1030 119.1410 61.9966 72.0655 172.7019 83 D 5.1096 10.0344 127.0316 53.0392 43.2197 174.7470 84 C 5.5183 9.4173 121.3208 55.3320 41.0225 173.1522 85 R 5.2525 8.7014 122.5705 53.8842 33.1416 175.0495 86 E 4.0673 9.2894 125.9591 56.5358 30.5372 176.7363 87 T 4.3586 8.6390 116.5229 60.3295 70.2317 176.1234 88 G 3.6627 8.5627 110.9677 47.8590 0.0000 174.4822 89 S 4.5530 7.3130 111.5429 57.8622 63.7283 174.4270 90 S 4.1939 7.6540 117.3780 58.3394 62.8554 172.9965 91 K 4.4726 8.7593 127.2505 55.0409 35.1711 174.5474 92 Y 4.4088 8.7493 127.9129 57.5220 39.0495 174.1707 93 P 3.5035 0.0000 0.0000 63.5513 31.9930 176.8121 94 N 4.6837 7.9815 119.2195 52.1335 37.2056 172.9880 95 C 4.8051 8.4206 117.9070 55.8257 40.6307 173.1605 96 A 5.0016 7.8320 123.5730 50.5367 22.1005 174.5170 97 Y 5.1831 9.7496 119.0256 56.0175 42.3751 174.7934 98 K 4.6055 9.1848 123.4214 55.2506 34.3513 175.1295 99 T 4.9539 8.5911 124.2915 63.0961 69.5254 174.3329 100 T 4.6070 9.1199 122.8090 61.9914 72.1896 172.9032 101 Q 4.7251 8.7714 125.3723 54.8564 30.6791 174.7548 102 A 4.6171 8.6160 123.4746 51.2140 23.8039 174.6844 103 N 5.6319 8.5432 114.9475 50.7089 41.3326 174.3837 104 K 4.7803 8.3484 121.9300 54.6633 37.6230 175.3361 105 H 4.8775 9.1335 119.0973 55.6942 29.9865 174.9291 106 I 4.8770 8.6227 115.7715 59.3625 40.6101 174.3795 107 I 4.9412 8.3879 124.4046 59.7376 40.2999 175.0961 108 V 4.7656 8.7462 118.8040 59.4939 36.4045 174.1580 109 A 5.0801 8.6651 124.5745 50.9664 20.7581 175.7626 110 C 5.0529 8.2048 118.8157 55.3217 37.8961 173.2513 111 G 3.8896 8.4486 106.5078 47.1028 0.0000 173.9111 112 G 4.2339 9.6208 107.7610 44.5792 0.0000 172.2717 113 K 4.6790 8.1402 119.6945 54.0190 33.8581 174.2423 114 P 4.2897 0.0000 0.0000 63.0998 31.5876 175.4976 115 Y 4.7655 8.3377 121.5201 57.0609 39.0335 174.5622 116 V 4.4483 8.0412 119.1215 58.5081 36.8313 173.3039 117 P 4.5038 0.0000 0.0000 62.8231 31.2510 177.0803 118 V 4.4375 8.4561 115.3855 61.1090 33.8285 175.1583 119 H 5.0459 7.8435 119.5403 55.0635 33.3874 171.7457 120 F 4.7183 8.8778 128.1515 57.7062 39.4922 174.2711 121 D 4.4854 8.2329 126.5330 55.6921 41.9759 175.6778 122 A 4.5883 6.4986 117.2255 51.4551 22.6396 174.4022 123 S 5.0514 8.7510 112.8015 56.7714 66.2118 174.7751 124 V 4.1394 9.1456 115.1582 61.6169 32.2770 175.4739 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 K 8.31 4.26 0.00 1.89 2.02 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.03 3.87 0.00 2.04 1.91 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 2.31 2.38 0.00 3 T 8.65 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 A 8.43 3.99 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 5 A 7.95 3.92 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 6 A 7.93 4.19 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 7 K 8.42 4.02 0.00 1.95 2.10 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 8 F 8.36 4.15 0.00 3.20 3.19 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 9 E 8.39 4.06 0.00 2.34 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 2.53 2.76 0.00 10 R 7.93 3.89 0.00 1.81 2.09 0.00 3.40 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 1.62 1.67 0.00 11 Q 8.01 3.93 0.00 1.62 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 12 H 7.93 4.60 0.00 2.14 2.65 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.15 4.74 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 14 D 9.06 4.80 0.00 2.72 2.43 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 15 S 8.33 4.56 0.00 4.05 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 16 S 8.25 4.30 0.00 4.05 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 17 T 7.82 4.50 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 18 S 8.43 4.61 0.00 3.95 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 19 A 7.45 4.48 1.10 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 20 A 9.12 3.76 0.41 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 21 S 7.36 4.06 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.71 3.89 0.00 4.08 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 23 S 8.78 4.33 0.00 4.05 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 24 N 7.91 4.78 0.00 2.78 2.82 0.00 0.00 6.73 7.64 0.00 0.00 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 Y 8.19 3.98 0.00 3.17 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 26 C 8.20 4.21 0.00 3.13 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 27 N 8.22 4.45 0.00 2.94 2.92 0.00 0.00 7.11 7.74 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 28 Q 8.02 3.95 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 29 M 7.99 3.77 0.00 0.82 1.16 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.31 0.00 30 M 8.32 4.03 0.00 1.68 1.93 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.42 0.00 31 K 7.88 4.04 0.00 1.97 1.94 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 8.11 4.15 0.00 4.02 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 33 R 7.87 4.27 0.00 1.91 2.17 0.00 3.43 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 34 N 7.98 4.26 0.00 2.90 2.95 0.00 0.00 6.85 7.20 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 35 L 8.31 4.52 0.00 1.79 1.62 0.76 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.83 5.65 4.42 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 1.43 0.00 0.00 37 K 8.32 4.24 0.00 1.94 2.04 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.46 7.81 38 D 8.00 4.87 0.00 2.69 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 39 R 7.01 3.36 0.00 1.79 1.83 0.00 2.87 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 40 C 8.43 4.95 0.00 3.05 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 41 K 8.34 4.17 0.00 1.85 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.38 7.81 42 P 0.00 4.73 0.00 2.20 2.32 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.53 5.11 2.11 0.00 0.00 0.00 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 0.98 0.00 0.00 44 N 8.94 4.60 0.00 2.61 2.23 0.00 0.00 7.00 6.98 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 45 T 7.87 4.95 3.15 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 0.00 0.00 0.00 0.96 0.00 0.00 46 F 9.12 4.88 0.00 2.94 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 47 V 9.17 4.57 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 1.14 0.00 0.00 0.97 0.00 0.00 48 H 8.74 5.62 0.00 3.08 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.71 4.78 0.00 1.95 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 0.00 2.26 2.28 0.00 50 S 8.35 4.43 0.00 4.07 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 51 L 8.50 4.04 0.00 1.71 1.79 1.06 0.71 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 52 A 7.99 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.87 4.34 0.00 2.86 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 54 V 7.79 3.83 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 1.23 0.00 0.00 1.10 0.00 0.00 55 K 8.35 3.90 0.00 2.12 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 A 7.96 4.08 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 57 V 7.52 3.63 2.20 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 1.13 0.00 0.00 0.98 0.00 0.00 58 C 7.77 3.84 0.00 2.88 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 59 S 7.43 4.69 0.00 3.92 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 60 Q 7.45 4.58 0.00 2.27 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 61 K 8.87 4.28 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.39 7.81 62 K 8.68 4.12 0.00 1.79 1.59 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.73 1.24 7.81 63 V 8.52 4.65 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 0.75 0.00 0.00 0.83 0.00 0.00 64 T 8.28 4.23 4.20 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 1.17 0.00 0.00 65 C 8.82 4.71 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.86 3.82 0.00 1.73 1.88 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 67 N 8.01 4.52 0.00 2.80 2.93 0.00 0.00 6.30 7.00 0.00 0.00 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 G 7.95 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 69 Q 8.63 4.27 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 70 T 8.25 4.57 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 1.17 0.00 0.00 71 N 7.97 4.94 0.00 2.92 3.13 0.00 0.00 6.03 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 7.47 5.40 0.00 2.96 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 73 Y 9.10 5.26 0.00 2.83 2.90 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 74 Q 9.13 5.13 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 75 S 8.82 4.52 0.00 3.96 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 76 K 10.03 4.04 0.00 1.87 1.96 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.42 7.81 77 S 7.63 5.02 0.00 3.82 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 78 T 8.22 4.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 79 M 9.07 5.03 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 80 R 10.05 4.67 0.00 2.04 1.96 0.00 3.11 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 81 I 8.89 5.25 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.00 0.00 0.00 82 T 9.10 5.08 4.44 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 1.31 0.00 0.00 83 D 10.03 5.11 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.42 5.52 0.00 2.86 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 85 R 8.70 5.25 0.00 1.82 1.85 0.00 3.18 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 86 E 9.29 4.07 0.00 1.95 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 2.15 1.94 0.00 87 T 8.64 4.36 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 1.24 0.00 0.00 88 G 8.56 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 0.00 0.00 0.00 89 S 7.31 4.55 0.00 4.05 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 90 S 7.65 4.19 0.00 3.91 3.80 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 91 K 8.76 4.47 0.00 1.78 1.58 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.75 4.41 0.00 2.89 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 93 P 0.00 3.50 0.00 1.85 1.27 0.00 3.64 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 94 N 7.98 4.68 0.00 2.80 2.77 0.00 0.00 6.96 7.98 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 95 C 8.42 4.81 0.00 3.14 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 96 A 7.83 5.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.75 5.18 0.00 2.81 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 98 K 9.18 4.61 0.00 1.88 1.85 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 99 T 8.59 4.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 100 T 9.12 4.61 4.39 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 1.23 0.00 0.00 101 Q 8.77 4.73 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 102 A 8.62 4.62 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 0.00 103 N 8.54 5.63 0.00 2.54 2.73 0.00 0.00 7.04 7.61 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 0.00 104 K 8.35 4.78 0.00 1.71 1.89 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 H 9.13 4.88 0.00 3.18 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.62 4.88 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 1.13 0.00 0.00 107 I 8.39 4.94 1.76 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 1.16 0.66 0.87 0.00 0.00 108 V 8.75 4.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 109 A 8.67 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.20 5.05 0.00 2.16 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 0.00 0.00 0.00 111 G 8.45 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 0.00 0.00 0.00 112 G 9.62 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 0.00 0.00 0.00 0.00 113 K 8.14 4.68 0.00 1.69 1.70 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 114 P 0.00 4.29 0.00 2.23 2.07 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.34 4.77 0.00 2.83 2.90 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 0.00 116 V 8.04 4.45 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 0.69 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.50 0.00 0.49 1.39 0.00 3.33 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 118 V 8.46 4.44 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 0.60 0.00 0.00 0.91 0.00 0.00 119 H 7.84 5.05 0.00 3.21 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.88 4.72 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.49 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.50 4.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.75 5.05 0.00 4.01 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 0.00 124 V 9.15 4.14 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 0.66 0.00 0.00 0.93 0.00 0.00