NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2396 8.3144 121.7917 56.1807 32.9090 174.8728 12 S 4.3781 8.2871 121.8220 57.4592 64.1116 171.9525 13 S 4.8710 8.7211 120.9102 57.7885 65.0272 173.0874 14 C 4.2928 8.5764 122.9517 57.6116 42.2104 172.9711 15 K 4.6094 8.9401 124.5791 55.5504 36.3841 174.9643 16 R 4.7012 8.2793 120.2152 56.2931 31.0329 175.0051 17 H 5.0811 9.0618 121.0075 52.9434 33.4051 171.0829 18 P 4.5329 0.0000 0.0000 63.1152 32.2332 175.8016 19 L 4.3588 7.9066 124.2077 54.4236 45.1526 172.9124 20 Y 4.3871 8.5116 128.2465 55.9200 40.8107 174.0224 21 V 3.8905 7.5891 127.7385 61.3652 33.4564 173.8008 22 D 4.5961 8.0474 127.9463 52.5421 42.4738 176.9330 23 F 4.5250 8.5959 126.2778 60.6053 38.8050 177.7556 24 S 4.1855 8.1395 112.5720 61.5399 62.0565 175.8116 25 D 4.3281 9.2232 121.6965 56.7357 40.6157 178.1185 26 V 3.8781 7.3134 110.0557 60.2150 31.9169 175.9836 27 G 3.8211 7.5853 106.7938 47.0176 0.0000 174.4925 28 W 5.2433 8.7459 117.6529 56.2001 29.5846 177.4609 29 N 4.6340 8.2188 115.6154 54.0211 37.1017 175.2992 30 D 4.7159 8.0920 118.0888 53.9265 40.5401 176.7794 31 W 4.7455 7.8202 114.8088 55.7218 29.7089 174.5652 32 I 4.1690 6.9129 120.6135 59.2725 36.5441 175.7197 33 V 3.7414 8.5311 126.7742 64.1523 31.8470 176.7949 34 A 4.4991 7.4010 120.4487 50.4670 21.5771 174.0954 35 P 4.9215 0.0000 0.0000 61.0644 33.3409 174.3845 36 P 4.4416 0.0000 0.0000 64.1797 31.3949 176.5502 37 G 3.0929 7.5658 104.8816 45.5511 0.0000 170.7511 38 Y 4.7710 6.4011 115.8928 55.8158 41.7796 174.0642 39 H 4.3612 8.9587 117.6783 55.8055 28.5078 174.8864 40 A 4.3845 8.4569 126.8617 51.7815 20.5908 178.3555 41 F 4.3582 8.1135 114.4631 57.4561 38.3221 172.8107 42 Y 5.0165 8.5515 117.6822 56.9625 41.4293 172.6642 43 C 5.4715 8.6808 117.0522 55.7835 44.0567 173.0762 44 H 4.7418 8.5991 119.9028 55.6735 33.4961 172.5801 45 G 4.6812 8.4793 109.3250 43.5312 0.0000 172.6664 46 E 4.1079 8.8391 122.3240 56.3466 30.1650 175.4915 47 C 5.0268 8.3312 123.0623 54.7435 39.6004 171.9275 48 P 4.5709 0.0000 0.0000 61.5496 33.1698 175.5759 49 F 4.6361 8.4568 119.8104 55.7189 41.1746 173.4807 50 P 3.2899 0.0000 0.0000 61.3947 32.1877 175.5540 51 L 4.0919 7.8746 119.1383 53.5614 41.9119 177.2292 52 A 4.1105 8.1796 126.8005 51.4928 19.6019 177.2132 53 D 4.3315 8.8676 119.4689 57.8889 41.0253 178.3347 54 H 4.5360 7.9639 110.3506 56.7033 28.9403 175.3892 55 L 4.1975 7.9556 120.3373 54.7230 42.3889 175.8535 56 N 4.1310 7.6248 114.4528 54.5084 36.0772 173.0105 57 S 5.0567 7.7118 114.8929 57.4192 65.2054 174.1384 58 T 4.7015 7.9241 110.5452 59.6486 72.4766 174.3726 59 N 4.2502 8.6969 118.8194 57.0368 38.4470 176.9430 60 H 4.0322 8.2632 118.4009 59.3137 30.0368 176.8551 61 A 4.0451 7.8883 122.1236 55.1945 18.1027 179.7307 62 I 3.6195 7.9301 118.2092 64.6075 37.2906 178.6552 63 V 3.5875 8.1095 119.4593 66.2771 31.3509 177.7804 64 Q 4.0502 8.4304 119.0130 58.9204 28.6347 178.0441 65 T 4.0232 7.7506 116.4248 66.2461 68.8360 176.5424 66 L 4.0292 7.8253 120.7729 57.8690 41.7441 179.4502 67 V 3.5722 7.7613 118.1539 66.0882 31.2098 177.2980 68 N 4.5249 8.2706 116.9576 56.7763 38.5259 176.5574 69 S 4.2656 7.7454 113.2405 59.9919 63.5031 176.2740 70 V 4.0190 7.5957 121.2329 64.1303 32.2320 175.2096 71 N 4.8041 8.4943 122.2192 51.3249 38.9112 174.7265 72 S 4.4964 8.3654 119.9277 59.9360 63.4307 176.0201 73 K 4.0729 8.0819 120.0059 58.1210 31.8967 176.6332 74 I 4.3139 7.5590 121.0224 58.6383 38.1133 174.0828 75 P 4.4614 0.0000 0.0000 62.3543 31.8447 176.1226 76 K 4.1994 8.2513 118.3898 55.6917 32.7386 176.5460 77 A 4.3633 8.2859 122.5417 52.4049 19.4890 176.1874 78 C 4.8148 8.9643 118.9432 57.5449 35.0969 172.4251 79 C 5.0204 8.8869 125.6606 56.7669 42.1287 172.5111 80 V 4.7390 8.7797 119.2459 58.6373 36.3864 173.2679 81 P 4.9755 0.0000 0.0000 63.2042 31.1529 176.8063 82 T 4.5718 9.4194 114.2280 61.6306 70.9935 174.0452 83 E 4.7208 8.0169 123.2183 54.5845 32.9950 173.8505 84 L 5.5519 8.7253 125.6852 53.0263 45.7935 175.2914 85 S 4.9020 9.1317 114.7677 56.6555 67.0314 172.9061 86 A 5.1896 8.5479 122.1482 51.2344 20.5389 176.6083 87 I 4.6811 8.3619 111.6465 59.5855 41.1500 174.8651 88 S 5.0885 8.7486 121.1008 58.9238 63.9639 173.1950 89 M 5.0666 9.2947 121.3892 53.7142 37.1745 173.7886 90 L 5.0203 9.3855 123.5730 53.7171 44.7295 174.8216 91 Y 5.4289 7.7768 124.3880 56.0238 41.8942 173.9260 92 L 5.0650 9.0127 118.5776 53.9193 43.8553 176.0517 93 D 4.9069 8.3410 120.8651 52.8575 42.8761 177.1560 94 E 3.8790 9.0549 123.7932 60.0312 29.5146 178.4413 95 N 4.4777 7.9909 111.9474 53.8277 38.7603 175.1700 96 E 3.9761 8.9526 118.8979 55.7540 29.0067 173.4015 97 K 4.5798 7.6903 116.7273 54.0407 34.6721 175.3994 98 V 4.4894 8.5310 124.9857 63.4108 31.9274 175.4530 99 V 4.3898 8.1383 119.8203 59.3036 35.6162 173.9897 100 L 5.0733 8.0957 123.1703 53.2329 44.1973 175.3857 101 K 4.6483 8.8835 126.3537 54.6545 36.3050 174.2647 102 N 4.9271 8.7410 125.1588 53.3351 39.9516 173.5509 103 Y 4.4371 9.1676 125.2892 56.6786 39.3849 175.7529 104 Q 4.4184 8.8128 123.4980 55.2852 30.1991 175.1414 105 D 4.4698 8.4872 117.2433 55.9256 38.6391 174.9392 106 M 4.4850 8.2050 118.1788 56.5400 33.6232 177.7306 107 V 4.8631 8.1118 118.7452 60.8874 34.6677 174.9614 108 V 4.1867 8.9954 128.7422 63.0047 31.2760 175.3378 109 E 4.3447 9.4367 127.8102 57.3244 31.0369 176.2919 110 G 4.1632 7.5881 104.0553 45.5401 0.0000 172.9453 111 C 5.6390 8.4992 117.7586 55.3163 44.8325 172.9880 112 G 4.1121 8.9552 106.5178 46.0566 0.0000 171.5100 113 C 5.2676 8.6394 117.9882 55.6410 41.2168 174.7540 114 R 4.3111 9.0220 122.8724 56.2936 30.6630 175.4989 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 11 K 8.31 4.24 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 12 S 8.29 4.38 0.00 4.05 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 13 S 8.72 4.87 0.00 3.84 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 14 C 8.58 4.29 0.00 3.10 3.06 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 15 K 8.94 4.61 0.00 1.72 1.81 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.10 7.81 16 R 8.28 4.70 0.00 1.75 1.74 0.00 2.84 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 17 H 9.06 5.08 0.00 1.76 2.72 0.00 5.87 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.53 0.00 2.07 2.08 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 19 L 7.91 4.36 0.00 1.99 1.56 0.82 0.80 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 20 Y 8.51 4.39 0.00 2.79 2.64 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 0.00 0.00 0.00 0.00 21 V 7.59 3.89 1.51 0.00 0.00 0.00 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 0.55 0.00 0.00 22 D 8.05 4.60 0.00 2.88 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 23 F 8.60 4.53 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.14 4.19 0.00 3.92 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 25 D 9.22 4.33 0.00 2.69 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 26 V 7.31 3.88 1.18 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 0.38 0.00 0.00 -0.27 0.00 0.00 27 G 7.59 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 28 W 8.75 5.24 0.00 3.21 2.38 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 29 N 8.22 4.63 0.00 2.88 3.01 0.00 0.00 6.14 8.06 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 30 D 8.09 4.72 0.00 2.93 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 31 W 7.82 4.75 0.00 3.61 3.33 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 32 I 6.91 4.17 1.29 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 0.09 -0.36 0.58 0.00 0.00 33 V 8.53 3.74 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 0.92 0.00 0.00 34 A 7.40 4.50 1.25 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 0.00 0.00 0.00 35 P 0.00 4.92 0.00 2.28 2.18 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 36 P 0.00 4.44 0.00 2.25 2.18 0.00 3.75 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 2.15 2.12 0.00 37 G 7.57 3.09 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 38 Y 6.40 4.77 0.00 3.01 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 39 H 8.96 4.36 0.00 3.04 2.66 0.00 5.88 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 40 A 8.46 4.38 0.91 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 41 F 8.11 4.36 0.00 3.23 3.25 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 0.00 42 Y 8.55 5.02 0.00 3.08 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 43 C 8.68 5.47 0.00 2.96 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 44 H 8.60 4.74 0.00 3.45 3.13 0.00 5.58 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 45 G 8.48 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.84 4.11 0.00 2.08 1.83 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 2.32 2.29 0.00 47 C 8.33 5.03 0.00 3.09 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 48 P 0.00 4.57 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 49 F 8.46 4.64 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.29 0.00 1.77 1.01 0.00 3.62 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 51 L 7.87 4.09 0.00 1.58 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.18 4.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.87 4.33 0.00 2.66 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 54 H 7.96 4.54 0.00 3.29 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.96 4.20 0.00 1.66 1.67 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.62 4.13 0.00 2.79 2.83 0.00 0.00 6.96 7.05 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 57 S 7.71 5.06 0.00 3.84 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 58 T 7.92 4.70 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 59 N 8.70 4.25 0.00 2.77 2.95 0.00 0.00 6.44 8.16 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 60 H 8.26 4.03 0.00 3.21 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.89 4.05 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 62 I 7.93 3.62 2.17 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 1.27 0.95 0.00 0.00 63 V 8.11 3.59 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 0.95 0.00 0.00 0.99 0.00 0.00 64 Q 8.43 4.05 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 65 T 7.75 4.02 4.50 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 1.40 0.00 0.00 66 L 7.83 4.03 0.00 1.87 1.66 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.76 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 0.98 0.00 0.00 0.91 0.00 0.00 68 N 8.27 4.52 0.00 2.96 3.01 0.00 0.00 6.94 7.30 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 69 S 7.75 4.27 0.00 4.01 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 70 V 7.60 4.02 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 0.83 0.00 0.00 0.92 0.00 0.00 71 N 8.49 4.80 0.00 2.74 2.75 0.00 0.00 7.05 7.92 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 72 S 8.37 4.50 0.00 4.02 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 73 K 8.08 4.07 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.56 7.81 74 I 7.56 4.31 1.98 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 1.35 0.80 0.92 0.00 0.00 75 P 0.00 4.46 0.00 2.19 2.07 0.00 3.78 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 2.01 2.01 0.00 76 K 8.25 4.20 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.45 7.81 77 A 8.29 4.36 1.27 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 0.00 0.00 78 C 8.96 4.81 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.89 5.02 0.00 3.18 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 80 V 8.78 4.74 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 0.75 0.00 0.00 1.01 0.00 0.00 81 P 0.00 4.98 0.00 1.99 2.05 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 82 T 9.42 4.57 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 1.24 0.00 0.00 83 E 8.02 4.72 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 84 L 8.73 5.55 0.00 1.57 1.58 1.00 0.89 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 85 S 9.13 4.90 0.00 3.86 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 86 A 8.55 5.19 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 87 I 8.36 4.68 1.82 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 0.91 1.06 0.92 0.00 0.00 88 S 8.75 5.09 0.00 3.82 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 89 M 9.29 5.07 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 90 L 9.39 5.02 0.00 1.63 1.53 0.88 -0.19 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 91 Y 7.78 5.43 0.00 3.41 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 92 L 9.01 5.07 0.00 1.82 1.77 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.34 4.91 0.00 3.03 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.05 3.88 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 95 N 7.99 4.48 0.00 2.71 2.87 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.95 3.98 0.00 2.05 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 0.00 2.21 2.28 0.00 97 K 7.69 4.58 0.00 1.74 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 98 V 8.53 4.49 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 0.87 0.00 0.00 0.93 0.00 0.00 99 V 8.14 4.39 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 0.77 0.00 0.00 0.93 0.00 0.00 100 L 8.10 5.07 0.00 1.48 1.43 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.88 4.65 0.00 1.87 1.80 0.00 0.79 0.00 0.00 1.31 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.71 1.13 7.81 102 N 8.74 4.93 0.00 2.76 2.70 0.00 0.00 7.00 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 0.00 103 Y 9.17 4.44 0.00 3.12 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 0.00 104 Q 8.81 4.42 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 D 8.49 4.47 0.00 2.83 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 0.00 106 M 8.21 4.49 0.00 1.75 2.12 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 107 V 8.11 4.86 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 1.36 0.00 0.00 1.32 0.00 0.00 108 V 9.00 4.19 2.36 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 0.83 0.00 0.00 1.07 0.00 0.00 109 E 9.44 4.34 0.00 1.93 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 2.27 2.51 0.00 110 G 7.59 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 0.00 111 C 8.50 5.64 0.00 2.81 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.96 4.11 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 0.00 113 C 8.64 5.27 0.00 2.91 3.03 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 0.00 0.00 0.00 114 R 9.02 4.31 0.00 1.68 1.77 0.00 3.33 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00