NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3639 8.2493 123.5834 52.5949 19.4891 175.8488 2 T 4.5043 8.4458 113.1282 61.9237 71.5696 172.8449 3 K 5.3273 8.3993 122.1289 54.6136 36.8380 176.3132 4 A 5.3905 9.1172 123.9710 51.0218 23.4479 175.1111 5 V 4.9706 8.7262 117.1682 60.9961 35.3966 173.2530 6 C 4.9304 9.2288 122.2073 58.0896 35.5277 172.6027 7 V 4.5422 8.4752 126.0128 61.5045 33.0396 174.1140 8 L 4.9132 8.8352 129.3093 53.7353 43.1339 176.1678 9 K 4.8622 9.0295 122.1614 55.5555 37.0133 175.9632 10 G 4.1573 8.0100 109.0470 46.0471 0.0000 172.7162 11 D 4.6461 8.8240 119.3368 54.9305 42.0971 176.6975 12 G 4.3656 7.5765 109.2335 44.2431 0.0000 171.4699 13 P 4.4507 0.0000 0.0000 63.3729 32.1120 175.5841 14 V 4.3046 7.5315 120.6207 62.6559 32.1199 174.9979 15 Q 4.8335 8.7664 124.6525 55.3236 32.4814 173.7544 16 G 4.4190 8.6950 107.1476 46.0031 0.0000 171.7144 17 I 5.1923 8.4661 119.6199 59.4930 41.2472 175.1445 18 I 4.7666 8.7527 126.6551 59.5463 40.8643 174.2408 19 N 4.9988 8.4074 123.8852 51.2787 41.5656 173.7827 20 F 5.2518 8.6792 119.1931 55.8013 43.4191 173.6997 21 E 5.2022 9.7387 122.8480 54.7647 33.3984 173.8362 22 Q 4.8143 9.5069 127.6478 54.2916 30.6529 174.8978 23 K 4.2120 9.0133 127.2562 58.7045 32.7345 177.7416 24 E 4.7253 7.7508 116.4859 53.7922 33.2261 174.8131 25 S 4.2494 8.7995 116.4202 60.3936 62.6697 173.4198 26 N 4.1654 8.8756 122.4598 54.1294 36.0402 174.1389 27 G 4.0672 8.0071 107.9625 42.9502 0.0000 172.0680 28 P 4.7194 0.0000 0.0000 62.2197 32.5120 175.9138 29 V 4.6770 8.8585 121.0690 61.1236 33.7856 174.8055 30 K 4.7814 9.1517 128.3076 56.2661 33.7301 176.2647 31 V 4.7775 9.3765 124.4259 60.8639 34.5740 174.1798 32 W 5.5419 8.3642 124.1517 54.6170 31.6876 175.3205 33 G 3.9559 7.6885 107.6891 46.3249 0.0000 171.0236 34 S 5.0740 7.9000 115.6288 57.0430 66.7513 174.1824 35 I 5.2103 8.6852 125.0252 59.4301 41.4728 174.5350 36 K 4.8437 9.0478 124.9921 55.6674 36.2861 176.9815 37 G 3.9514 8.7845 105.7204 46.5925 0.0000 173.5192 38 L 4.4356 7.6344 119.9380 53.1871 43.0004 176.5439 39 T 4.3870 8.0974 110.9252 61.0028 69.6139 174.1337 40 E 4.0553 8.5216 124.3807 57.2996 30.4743 175.1141 41 G 3.7490 8.4972 110.7355 43.9312 0.0000 172.5285 42 L 4.7819 8.1798 118.6681 54.7797 42.9437 176.6249 43 H 5.0018 9.2497 119.1036 53.7928 32.9313 173.4672 44 G 4.0939 9.0368 111.0226 46.8724 0.0000 172.6023 45 F 5.4370 8.8485 124.4447 57.3552 42.3016 172.8802 46 H 5.0137 8.7995 122.4007 54.2592 34.0606 172.6175 47 V 4.4337 8.5990 120.8482 62.4505 32.6830 175.0657 48 H 5.1563 9.3504 125.2875 54.3828 30.8355 175.8949 49 E 3.7835 8.8086 121.9864 58.8197 29.7290 177.1844 50 F 5.0236 7.9410 118.2495 55.6756 41.1054 176.4551 51 G 4.0512 8.4875 113.8877 44.9579 0.0000 173.7396 52 D 4.7979 8.0860 118.7270 52.4929 42.8830 174.4797 53 N 5.1720 8.4530 126.0313 53.4479 39.7084 176.3796 54 T 3.8436 8.4834 114.9108 65.9685 68.4993 176.3526 55 A 4.6262 8.1808 122.3313 51.6135 19.9299 177.4323 56 G 3.8313 8.0076 109.7999 46.6933 0.0000 174.2229 57 C 4.4319 8.5765 114.4531 59.6137 34.4268 175.6463 58 T 3.7646 7.8998 114.8861 65.0808 66.7660 175.6772 59 S 4.3288 7.9326 115.4977 60.4158 63.1155 175.5791 60 A 4.5477 7.5032 124.5509 53.6586 18.3980 178.4361 61 G 4.1824 8.1777 105.4818 43.9616 0.0000 170.8391 62 P 4.6815 0.0000 0.0000 61.9431 33.6968 175.1675 63 H 4.2797 8.4254 116.4361 55.9125 29.4480 175.5741 64 F 4.3227 9.0992 125.5649 57.8166 40.2012 175.4080 65 N 4.9472 7.8346 126.2306 51.7339 38.9474 173.2294 66 P 4.1237 0.0000 0.0000 65.2479 32.0718 177.7338 67 L 4.3396 7.6183 116.8045 53.5950 41.9427 176.3944 68 S 3.5944 7.5091 113.4108 59.7548 60.6869 171.7409 69 R 4.4947 8.0959 117.6261 54.4514 32.0606 176.6648 70 K 4.3954 8.8817 118.7106 55.8660 33.6160 176.5883 71 H 3.9116 8.6625 123.0234 57.0968 30.4781 174.8992 72 G 4.1492 7.4381 109.4890 45.7191 0.0000 172.0878 73 G 4.1462 9.1064 109.9830 43.3019 0.0000 173.2904 74 P 4.3660 0.0000 0.0000 65.0260 31.3762 177.3679 75 K 4.4387 7.9774 116.5074 56.1570 32.1789 175.6768 76 D 4.8316 7.7805 119.2550 52.8194 42.2784 176.5773 77 E 3.9108 8.7186 123.3611 59.1310 29.8996 176.8575 78 E 4.2496 7.9626 122.4730 55.2759 28.4786 174.8106 79 R 4.7485 7.5767 119.4971 55.0430 32.5505 174.9964 80 H 4.4175 8.9894 116.9174 55.4836 29.4368 176.9297 81 V 3.5137 8.4220 122.7691 66.4937 31.3013 177.3423 82 G 3.9012 8.3466 104.4420 47.3193 0.0000 173.1238 83 D 4.9864 8.2500 121.3588 53.7785 40.5505 175.8064 84 L 4.6417 8.4393 122.7286 52.9496 43.0090 177.8434 85 G 4.1433 8.6509 111.9745 46.2176 0.0000 175.7648 86 N 5.6794 8.7123 119.0498 51.2728 42.1365 172.7558 87 V 4.2840 8.5845 114.7595 60.1992 34.5680 175.0668 88 T 5.0181 8.1540 118.0881 61.8925 71.5941 173.0294 89 A 4.6204 8.9148 128.9135 50.9599 21.1367 177.0398 90 D 4.8891 8.4514 121.1472 52.9634 42.4821 177.7677 91 K 3.9896 8.5069 118.8021 59.6999 31.9326 178.1027 92 D 4.4187 8.0040 115.9769 53.8253 39.8416 177.1444 93 G 4.3730 8.6602 109.6705 44.5626 0.0000 172.6369 94 V 4.8945 7.7793 119.4985 60.8863 34.2190 174.0505 95 A 5.0558 8.9622 129.3141 49.3704 21.3569 174.8002 96 D 4.8888 8.7162 123.2337 53.6913 42.2074 176.1203 97 V 4.2694 8.6937 124.5844 61.2228 33.4333 174.5066 98 S 5.2028 8.5231 121.6460 56.9733 65.7161 172.8599 99 I 4.7854 9.2907 127.0851 59.5672 40.9010 174.0544 100 E 5.2757 8.8959 124.7708 54.7111 32.2385 174.9468 101 D 4.8145 9.2298 122.6830 52.8249 45.1597 175.7099 102 S 4.6716 8.8905 119.7356 58.4995 63.6846 175.5013 103 V 4.0603 7.9400 120.8879 64.2908 32.3553 176.4777 104 I 4.0283 7.8034 111.5572 61.1743 38.1210 174.6098 105 S 4.6734 8.4753 114.7328 57.3698 65.5602 174.0951 106 L 4.4685 8.9454 122.1283 54.2080 41.5395 176.3564 107 S 4.4796 7.8553 112.8531 58.1599 66.3915 175.3177 108 G 3.8536 8.5234 108.8068 44.9209 0.0000 173.4613 109 D 4.4432 8.7360 116.9584 56.9840 41.5075 177.4662 110 H 4.8770 8.2404 115.0100 55.5938 28.9998 174.2181 111 C 4.4706 8.0509 120.9685 59.6095 31.9930 173.4179 112 I 3.9476 8.0008 117.9463 60.4125 38.4245 175.7548 113 I 3.6608 7.3520 122.9321 62.9012 37.3650 176.2274 114 G 3.7957 9.3297 113.2296 45.4683 0.0000 172.7591 115 R 4.9236 7.4180 118.8279 54.6490 33.7665 174.5115 116 T 4.9710 7.9571 116.0776 62.0060 71.1945 173.7865 117 L 4.7661 8.5826 128.4170 53.9124 44.2441 175.3197 118 V 4.9536 8.6884 125.4599 60.9891 35.0988 174.1772 119 V 5.0512 8.6854 126.9723 60.4824 33.7037 174.8102 120 H 5.2763 8.8856 121.4138 54.1192 30.6540 174.7989 121 E 4.1986 9.2820 121.8180 58.9660 30.0645 176.5667 122 K 4.7816 8.2825 116.8879 53.7782 36.3374 175.5196 123 A 4.5982 8.3692 122.2320 52.2737 19.7008 175.9325 124 D 4.9794 9.4764 121.2615 53.0626 41.7974 176.1140 125 D 4.6316 9.2242 124.7939 52.9078 39.6166 176.6339 126 L 3.3714 9.7231 119.4900 56.2495 39.5809 176.0522 127 G 4.1713 8.5436 104.4799 46.0242 0.0000 174.9628 128 K 4.5063 8.0485 116.9754 56.0127 32.6387 177.4463 129 G 3.6968 7.9392 108.6359 45.1321 0.0000 176.0023 130 G 3.8202 8.2164 107.2969 45.7390 0.0000 172.7362 131 N 4.9544 7.2620 115.4169 50.3014 40.1870 175.1042 132 E 4.0364 8.6117 118.1894 59.4339 29.5002 178.2003 133 E 3.9660 8.1734 118.7690 59.0181 29.5503 178.3566 134 S 4.0729 8.3029 113.5539 61.6793 62.3437 175.7070 135 T 4.2510 7.9238 116.1149 64.4894 68.0252 175.2995 136 K 4.3001 7.7090 117.7247 57.6922 34.1984 177.0465 137 T 4.0474 7.9807 106.5408 60.1898 70.4097 175.6253 138 G 3.9482 8.2492 109.8702 45.4264 0.0000 173.3521 139 N 4.3119 7.9467 114.2931 54.2205 36.5544 175.0278 140 A 4.4854 7.0116 119.3104 51.5313 19.5718 179.9160 141 G 4.0795 7.9417 103.7896 44.6544 0.0000 173.0139 142 S 4.5072 8.6433 115.1711 58.3875 65.0831 173.5631 143 R 4.5828 8.3254 119.0456 54.9221 30.3287 176.5598 144 L 4.3798 8.9214 125.2558 57.1218 43.2123 176.8854 145 A 4.8258 7.6995 117.8678 51.4363 22.9666 173.9480 146 C 5.5000 8.3642 113.5087 56.0390 47.0111 172.5962 147 G 4.6691 7.9785 103.3059 46.1787 0.0000 172.8335 148 V 4.4085 8.3432 121.1617 62.3758 32.7438 175.5315 149 I 4.1404 8.7821 129.4499 60.9909 38.0492 175.3446 150 G 4.4243 8.9221 114.6819 43.9590 0.0000 172.3864 151 I 4.4293 8.3028 121.6416 61.1428 37.6744 175.4442 152 A 4.8319 8.4844 127.6843 49.5851 22.1739 176.1904 153 Q 4.0703 8.5328 118.7727 56.4555 29.1913 176.0931 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 A 8.25 4.36 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 2 T 8.45 4.50 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 1.24 0.00 0.00 3 K 8.40 5.33 0.00 1.89 1.76 0.00 1.84 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.49 7.81 4 A 9.12 5.39 1.15 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 0.00 0.00 0.00 5 V 8.73 4.97 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 0.79 0.00 0.00 0.94 0.00 0.00 6 C 9.23 4.93 0.00 3.11 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 7 V 8.48 4.54 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.84 4.91 0.00 1.73 1.59 1.05 0.74 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 9 K 9.03 4.86 0.00 1.63 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.53 7.81 10 G 8.01 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 0.00 0.00 0.00 0.00 11 D 8.82 4.65 0.00 2.68 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 12 G 7.58 4.37 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 0.00 13 P 0.00 4.45 0.00 2.22 2.29 0.00 3.69 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 2.17 1.94 0.00 14 V 7.53 4.30 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 0.79 0.00 0.00 0.93 0.00 0.00 15 Q 8.77 4.83 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.29 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 G 8.69 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 0.00 0.00 0.00 0.00 17 I 8.47 5.19 1.82 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 1.21 0.90 0.84 0.00 0.00 18 I 8.75 4.77 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.46 0.00 0.00 19 N 8.41 5.00 0.00 1.44 1.63 0.00 0.00 6.40 8.01 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 20 F 8.68 5.25 0.00 2.89 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 21 E 9.74 5.20 0.00 2.48 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 0.00 2.32 2.39 0.00 22 Q 9.51 4.81 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 23 K 9.01 4.21 0.00 1.81 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 E 7.75 4.73 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 2.29 2.27 0.00 25 S 8.80 4.25 0.00 3.83 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 26 N 8.88 4.17 0.00 2.89 2.86 0.00 0.00 6.90 7.65 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 27 G 8.01 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 28 P 0.00 4.72 0.00 2.13 2.10 0.00 3.35 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 29 V 8.86 4.68 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 1.35 0.00 0.00 1.05 0.00 0.00 30 K 9.15 4.78 0.00 2.00 1.86 0.00 1.45 0.00 0.00 1.48 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.58 1.42 7.81 31 V 9.38 4.78 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 0.75 0.00 0.00 1.10 0.00 0.00 32 W 8.36 5.54 0.00 3.49 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 33 G 7.69 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 34 S 7.90 5.07 0.00 3.88 3.63 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 0.00 0.00 0.00 35 I 8.69 5.21 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.88 0.00 0.00 36 K 9.05 4.84 0.00 1.75 1.87 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.34 7.81 37 G 8.78 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 0.00 0.00 0.00 38 L 7.63 4.44 0.00 1.81 1.42 0.81 0.16 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 39 T 8.10 4.39 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 1.24 0.00 0.00 40 E 8.52 4.06 0.00 1.96 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 2.30 2.32 0.00 41 G 8.50 3.75 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 0.00 0.00 0.00 42 L 8.18 4.78 0.00 1.49 1.71 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.25 5.00 0.00 3.01 3.33 0.00 5.63 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 44 G 9.04 4.09 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 0.00 45 F 8.85 5.44 0.00 2.90 2.86 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 46 H 8.80 5.01 0.00 3.10 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.60 4.43 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 0.83 0.00 0.00 0.86 0.00 0.00 48 H 9.35 5.16 0.00 3.06 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.81 3.78 0.00 1.66 1.12 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 1.73 2.24 0.00 50 F 7.94 5.02 0.00 3.19 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 51 G 8.49 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.09 4.80 0.00 2.61 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 53 N 8.45 5.17 0.00 2.75 2.69 0.00 0.00 7.13 7.22 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 54 T 8.48 3.84 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 1.19 0.00 0.00 55 A 8.18 4.63 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 56 G 8.01 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 57 C 8.58 4.43 0.00 2.96 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 58 T 7.90 3.76 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 1.24 0.00 0.00 59 S 7.93 4.33 0.00 4.19 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 60 A 7.50 4.55 1.44 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 0.00 0.00 61 G 8.18 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 62 P 0.00 4.68 0.00 2.03 2.19 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 63 H 8.43 4.28 0.00 2.78 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.10 4.32 0.00 2.88 2.94 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 65 N 7.83 4.95 0.00 2.56 2.43 0.00 0.00 6.93 7.71 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 66 P 0.00 4.12 0.00 1.99 1.89 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.00 67 L 7.62 4.34 0.00 1.54 1.65 0.87 0.87 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 68 S 7.51 3.59 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 69 R 8.10 4.49 0.00 1.88 1.97 0.00 3.44 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 70 K 8.88 4.40 0.00 1.61 1.69 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 71 H 8.66 3.91 0.00 3.12 3.26 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.44 4.15 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 0.00 0.00 0.00 0.00 73 G 9.11 4.15 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 0.00 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.24 2.39 0.00 3.79 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 2.03 2.05 0.00 75 K 7.98 4.44 0.00 1.77 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 76 D 7.78 4.83 0.00 2.77 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 77 E 8.72 3.91 0.00 1.92 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 2.28 2.29 0.00 78 E 7.96 4.25 0.00 2.06 1.82 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 2.33 2.30 0.00 79 R 7.58 4.75 0.00 1.96 1.87 0.00 2.89 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 80 H 8.99 4.42 0.00 3.51 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.42 3.51 1.52 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 0.84 0.00 0.00 0.61 0.00 0.00 82 G 8.35 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 83 D 8.25 4.99 0.00 2.73 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 84 L 8.44 4.64 0.00 1.72 1.87 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.65 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.71 5.68 0.00 2.58 2.69 0.00 0.00 6.68 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 87 V 8.58 4.28 1.82 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 -0.21 0.00 0.00 0.77 0.00 0.00 88 T 8.15 5.02 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 1.20 0.00 0.00 89 A 8.91 4.62 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 90 D 8.45 4.89 0.00 2.92 2.63 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 0.00 0.00 0.00 91 K 8.51 3.99 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.38 7.81 92 D 8.00 4.42 0.00 2.78 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 93 G 8.66 4.37 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 0.00 94 V 7.78 4.89 2.30 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 1.00 0.00 0.00 0.95 0.00 0.00 95 A 8.96 5.06 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 96 D 8.72 4.89 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 97 V 8.69 4.27 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 0.82 0.00 0.00 0.65 0.00 0.00 98 S 8.52 5.20 0.00 3.89 3.67 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 0.00 0.00 0.00 0.00 99 I 9.29 4.79 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 1.03 0.00 0.00 100 E 8.90 5.28 0.00 1.85 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 2.26 2.29 0.00 101 D 9.23 4.81 0.00 2.82 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 0.00 102 S 8.89 4.67 0.00 3.93 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 0.00 103 V 7.94 4.06 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 0.88 0.00 0.00 0.95 0.00 0.00 104 I 7.80 4.03 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 1.49 0.81 1.05 0.00 0.00 105 S 8.48 4.67 0.00 3.80 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 0.00 106 L 8.95 4.47 0.00 1.77 1.63 1.03 0.77 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 0.00 107 S 7.86 4.48 0.00 3.88 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 0.00 108 G 8.52 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 0.00 109 D 8.74 4.44 0.00 2.68 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 0.00 110 H 8.24 4.88 0.00 3.25 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.05 4.47 0.00 3.17 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 0.00 112 I 8.00 3.95 1.60 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.12 0.96 0.00 0.00 113 I 7.35 3.66 1.78 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 1.20 0.37 0.83 0.00 0.00 114 G 9.33 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 0.00 0.00 0.00 115 R 7.42 4.92 0.00 1.58 1.81 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 116 T 7.96 4.97 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 1.24 0.00 0.00 117 L 8.58 4.77 0.00 1.76 1.51 0.42 0.69 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 0.00 118 V 8.69 4.95 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 0.69 0.00 0.00 0.72 0.00 0.00 119 V 8.69 5.05 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 0.77 0.00 0.00 0.98 0.00 0.00 120 H 8.89 5.28 0.00 3.32 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.28 4.20 0.00 2.01 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 2.36 2.34 0.00 122 K 8.28 4.78 0.00 1.80 1.68 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.47 7.81 123 A 8.37 4.60 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 0.00 124 D 9.48 4.98 0.00 2.76 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 0.00 125 D 9.22 4.63 0.00 2.95 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 0.00 126 L 9.72 3.37 0.00 1.86 1.85 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.54 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 0.00 0.00 0.00 0.00 128 K 8.05 4.51 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.49 7.81 129 G 7.94 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 0.00 0.00 0.00 130 G 8.22 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 0.00 131 N 7.26 4.95 0.00 2.90 2.82 0.00 0.00 6.81 7.54 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 0.00 132 E 8.61 4.04 0.00 2.10 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 2.37 2.42 0.00 133 E 8.17 3.97 0.00 2.11 2.16 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 2.52 2.40 0.00 134 S 8.30 4.07 0.00 4.07 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 0.00 135 T 7.92 4.25 4.47 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 1.21 0.00 0.00 136 K 7.71 4.30 0.00 1.65 1.75 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.51 7.81 137 T 7.98 4.05 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 1.16 0.00 0.00 138 G 8.25 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 0.00 0.00 0.00 139 N 7.95 4.31 0.00 3.03 2.93 0.00 0.00 6.84 7.49 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 0.00 140 A 7.01 4.49 1.30 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 0.00 0.00 0.00 141 G 7.94 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 0.00 0.00 0.00 142 S 8.64 4.51 0.00 3.95 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 0.00 143 R 8.33 4.58 0.00 1.68 1.83 0.00 3.19 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.00 144 L 8.92 4.38 0.00 1.60 1.70 0.97 0.49 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 0.00 145 A 7.70 4.83 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 0.00 146 C 8.36 5.50 0.00 3.05 3.13 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 0.00 147 G 7.98 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.34 4.41 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 0.82 0.00 0.00 0.91 0.00 0.00 149 I 8.78 4.14 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 0.48 0.00 0.00 150 G 8.92 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 0.00 0.00 0.00 0.00 151 I 8.30 4.43 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.48 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.53 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00