NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8813 8.3544 109.7350 45.2930 0.0000 172.2989 2 L 4.5725 8.1755 120.0561 52.1175 44.1824 174.6879 3 T 4.4287 9.3899 122.7626 60.3882 71.5311 174.4863 4 A 4.0269 8.3115 123.7076 54.7315 18.2435 179.6411 5 A 3.9697 7.9058 119.3680 55.1789 18.4880 179.7554 6 Q 3.8679 7.9116 116.1245 59.3321 28.9714 178.7509 7 I 3.5961 7.6494 120.7468 64.1630 36.9382 178.4980 8 K 3.9338 8.0293 120.4247 59.1979 31.9609 178.5802 9 A 4.0225 8.1410 121.1485 55.4871 18.3754 179.4996 10 I 3.7923 7.7090 117.8683 64.8805 37.1225 178.7566 11 Q 4.1796 8.1972 118.6644 58.7696 28.6167 178.3546 12 D 4.4313 8.5597 120.4390 57.6933 40.9299 178.2125 13 H 4.2433 8.6551 118.9549 58.9256 29.7414 177.1983 14 W 3.9995 8.4838 130.3112 60.3994 30.3989 177.7466 15 F 4.1040 8.4499 119.4829 61.1662 38.8693 176.5838 16 L 4.0983 8.0483 118.7309 57.9868 42.1108 177.8533 17 N 4.7227 7.8096 113.2609 53.1725 40.1774 175.6761 18 I 3.5973 6.8707 118.3971 62.4830 38.7102 177.3452 19 K 3.5002 7.5029 119.8666 59.3942 31.9845 177.7969 20 G 3.6462 7.6150 105.4827 47.1025 0.0000 173.5244 21 C 4.7182 7.9723 115.4524 55.9567 30.0342 175.0077 22 L 3.7107 7.6952 122.9226 58.3445 41.7394 179.1773 23 Q 3.8637 7.9453 118.7811 59.1293 29.0824 177.8203 24 A 4.0555 8.0443 121.0457 55.3630 18.3917 179.3679 25 A 3.4730 7.5787 118.8963 54.8305 18.3195 179.6533 26 A 3.9796 8.2237 119.7099 55.5091 18.4426 179.5777 27 D 4.4751 8.2225 117.2966 57.9140 40.9863 179.3806 28 S 4.4558 8.2123 115.1614 61.3655 62.8752 176.8655 29 I 3.7318 8.0794 122.8137 64.5605 36.8759 178.4988 30 F 4.0581 8.3865 118.6152 60.1534 38.6913 177.5309 31 F 4.0897 9.0886 121.0064 61.3118 39.1269 177.1283 32 K 3.9634 8.4410 119.1039 59.7005 31.9371 178.1550 33 Y 4.0881 7.9680 119.6755 60.7653 38.3087 177.8739 34 L 4.1018 8.6510 119.9823 57.4087 41.5940 179.1000 35 T 3.7166 7.6889 112.4807 64.5096 67.2616 175.8863 36 A 3.8217 7.3713 121.7945 53.4961 20.0164 177.1840 37 Y 4.7315 7.5363 114.0736 55.1289 38.5762 174.2802 38 P 4.4772 0.0000 0.0000 65.4801 31.6759 178.5851 39 G 3.7267 8.2343 104.9871 47.5947 0.0000 174.5209 40 D 4.5083 8.2134 119.2208 55.6751 40.8202 178.1189 41 L 4.3779 8.3660 121.9976 57.9620 41.8819 178.3113 42 A 4.0255 7.9220 119.7629 54.3606 18.2725 178.9879 43 F 4.3007 7.8131 115.4872 58.5683 40.2434 176.1969 44 F 4.3788 7.7961 119.1818 55.3889 37.3244 175.6699 45 H 4.1069 8.0531 121.2948 58.6732 28.9316 177.3145 46 K 4.2206 7.9515 117.1883 58.9185 32.2757 178.2226 47 F 4.9548 8.1150 113.5328 57.2113 38.5969 175.9400 48 S 4.3560 8.2005 115.5973 60.5075 62.8689 174.4245 49 S 4.6241 7.8599 114.4673 57.9513 63.4245 174.0247 50 V 3.8664 7.4651 121.5126 61.6907 32.1941 174.0626 51 P 4.3591 0.0000 0.0000 62.0913 32.4225 176.9092 52 L 3.8927 8.7021 121.0211 58.5598 41.3476 179.5590 53 Y 4.4984 8.0109 114.7913 59.0100 37.8899 177.1097 54 G 3.8193 7.8402 107.0961 44.9060 0.0000 175.5596 55 L 3.6552 7.6886 122.2604 57.6710 41.3804 179.4217 56 R 4.0016 7.7209 115.8341 58.2424 30.1443 177.0790 57 S 4.4445 7.3231 110.0722 58.2783 63.8697 173.7844 58 N 4.5312 7.9456 119.8656 52.4627 39.3361 173.3708 59 P 4.2532 0.0000 0.0000 66.1182 30.9533 178.0684 60 A 4.0815 8.3861 120.3967 54.7443 18.2196 179.0302 61 Y 2.8522 7.6886 117.9081 60.4112 38.9429 177.8719 62 K 3.8041 7.8943 118.8142 59.3176 32.1015 179.2716 63 A 3.9671 8.0530 121.1423 54.9450 18.2619 179.5587 64 Q 3.8355 7.7152 118.1929 59.5876 29.1391 178.5829 65 T 3.7098 7.6123 111.1995 64.5270 68.7498 176.3008 66 L 3.9391 7.9153 123.1900 58.1627 41.9368 179.0425 67 T 3.9354 8.1116 116.1465 66.4208 68.2661 177.0159 68 V 3.7457 7.8675 121.0721 65.0723 31.5969 178.4063 69 I 3.8478 8.2305 120.3248 63.4659 37.3283 177.3389 70 N 4.4449 8.3377 118.2685 56.6048 38.8005 176.3866 71 Y 4.0527 8.0016 121.1455 60.8007 38.9585 177.4527 72 L 4.0287 8.4425 120.2145 57.8560 41.6418 178.9477 73 D 4.2653 8.7158 118.3221 57.5557 40.9708 178.6698 74 K 3.8415 7.3540 116.0929 59.3922 32.3118 179.2332 75 V 3.5552 7.3695 118.5084 65.8067 31.5133 178.3542 76 V 3.3180 7.7723 118.4586 65.8814 31.0688 177.7183 77 D 4.4046 8.0099 117.1163 56.0431 40.6009 177.4504 78 A 4.5715 7.0559 119.3178 51.6842 19.4557 177.4818 79 L 3.9054 7.6642 120.5604 57.9828 42.1814 178.6665 80 G 3.9269 8.2458 109.2855 41.7662 0.0000 171.2616 81 G 4.1094 7.0724 119.0119 45.2432 0.0000 172.1312 82 N 4.7310 8.7186 124.0635 52.8059 37.2407 175.9284 83 A 3.9791 7.8301 125.1785 56.1583 18.4501 180.5795 84 G 3.6345 8.1902 103.2341 48.1541 0.0000 175.4210 85 A 4.1094 7.8047 122.1673 54.6751 18.2888 179.5751 86 L 4.1222 7.6051 117.0682 58.0869 42.0490 179.1251 87 M 4.3492 8.4673 119.1513 58.1570 31.8904 178.3420 88 K 3.7043 8.1384 119.5308 59.7016 32.2041 178.4566 89 A 4.0575 7.7826 119.1722 54.2812 18.7573 178.3776 90 K 4.4078 7.8203 115.2330 55.9989 33.0660 178.3690 91 V 3.3644 7.8055 119.8939 65.4418 31.5218 175.5920 92 P 4.1766 0.0000 0.0000 65.9628 29.8205 178.0855 93 S 4.0337 8.1093 110.8481 62.0624 62.2515 175.8194 94 H 4.3789 8.1804 117.7559 58.1436 28.5275 177.2535 95 D 4.2780 8.4786 120.4749 57.0656 40.8009 177.7085 96 A 3.9779 7.6758 120.4461 55.8001 18.4485 179.0868 97 M 4.2603 7.1618 111.6371 56.1660 32.2675 177.5779 98 G 3.9209 8.1210 107.6559 45.1071 0.0000 173.2507 99 I 3.6780 7.2693 120.9943 59.5544 37.5162 175.7296 100 T 4.4894 8.2622 115.8735 59.5807 70.8253 174.1678 101 P 4.1109 0.0000 0.0000 65.3338 31.1620 178.6230 102 K 3.9955 7.9270 119.1477 59.7928 32.2223 178.5701 103 H 4.3945 8.5535 116.6451 58.8669 28.5063 177.8487 104 F 4.0338 8.5507 119.3955 60.4203 38.8302 177.8082 105 G 3.6511 8.1884 104.9602 47.8575 0.0000 175.6572 106 Q 4.1565 7.8805 119.5444 58.7462 29.1726 178.6786 107 L 4.0110 7.7240 120.9355 58.1813 42.1176 179.0532 108 L 4.0430 8.1994 118.9370 57.2801 41.2900 179.1660 109 K 4.0642 8.1308 118.7062 58.4782 32.4562 177.9016 110 L 4.3822 7.7324 117.8102 56.0470 41.9834 178.9056 111 V 3.2986 7.1495 112.1990 63.3530 31.1751 178.6771 112 G 3.6110 7.8114 105.7050 47.5408 0.0000 175.8609 113 G 3.5844 7.8913 107.9382 47.6227 0.0000 175.7648 114 V 3.8009 7.7869 121.4376 65.6908 31.5003 178.1237 115 F 4.8595 8.5099 117.9223 60.3809 38.4755 177.5865 116 Q 4.0217 8.2895 118.8108 59.4291 29.0833 177.5773 117 E 4.1533 8.5072 118.6374 58.9644 29.6288 177.8479 118 E 4.4512 8.3314 113.9709 55.3777 31.2940 175.9854 119 F 4.7626 8.0586 118.0459 57.1669 40.0151 175.1405 120 S 3.7195 8.3229 112.4689 59.4216 60.2957 172.6426 121 A 4.3796 7.4591 119.1069 51.3603 19.5571 178.7420 122 D 4.7077 8.5252 122.9211 52.3563 41.9121 175.6326 123 P 4.2771 0.0000 0.0000 66.2551 31.1448 179.2170 124 T 3.9173 8.1945 114.3341 66.8442 68.4439 176.8720 125 T 3.9430 7.9774 117.3397 66.7340 68.5504 176.6749 126 V 3.7743 8.1358 119.8562 66.1876 31.5552 177.9005 127 A 4.0540 8.3642 120.3083 55.1931 18.1285 179.5052 128 A 3.9879 8.4193 119.4322 54.9416 18.3958 179.9214 129 W 3.9625 8.4665 117.9476 59.4382 28.9536 178.9560 130 G 3.7473 8.1822 105.9508 47.9203 0.0000 175.4487 131 D 4.3199 8.1512 121.3391 57.1294 40.8732 178.5468 132 A 3.8976 8.2177 121.2593 55.1821 18.1307 179.5277 133 A 4.1390 8.3199 119.1604 55.4304 18.3649 179.9315 134 G 3.6534 7.6530 103.7611 47.9775 0.0000 175.9181 135 V 3.6296 7.7322 120.4673 65.9256 31.4125 178.2565 136 L 4.0496 8.0789 117.6618 57.6768 41.6343 179.3595 137 V 3.6926 8.1415 118.2273 65.8265 30.8928 177.9986 138 A 3.9773 7.8901 120.4394 54.7747 18.0062 179.1395 139 A 4.0587 7.6646 117.5836 54.7304 18.4395 179.0147 140 M 4.1141 7.5253 116.8964 56.9849 32.2375 176.4225 141 K 4.1168 7.5210 121.6574 56.9544 32.9989 176.6047 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 3.88 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 0.00 0.00 0.00 2 L 8.18 4.57 0.00 1.56 1.46 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.39 4.43 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 1.28 0.00 0.00 4 A 8.31 4.03 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 5 A 7.91 3.97 1.31 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 0.00 0.00 0.00 6 Q 7.91 3.87 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 7 I 7.65 3.60 1.96 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 1.28 0.63 0.89 0.00 0.00 8 K 8.03 3.93 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 A 8.14 4.02 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 10 I 7.71 3.79 1.78 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.48 0.50 0.00 0.00 11 Q 8.20 4.18 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 12 D 8.56 4.43 0.00 2.96 2.80 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 13 H 8.66 4.24 0.00 3.33 3.70 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.48 4.00 0.00 3.82 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 15 F 8.45 4.10 0.00 3.10 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 16 L 8.05 4.10 0.00 2.02 1.67 0.95 0.94 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 17 N 7.81 4.72 0.00 2.40 2.72 0.00 0.00 6.97 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 6.87 3.60 0.59 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.06 -0.52 0.00 0.00 19 K 7.50 3.50 0.00 1.67 1.63 0.00 1.76 0.00 0.00 2.11 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.37 7.81 20 G 7.62 3.65 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 0.00 0.00 0.00 21 C 7.97 4.72 0.00 3.02 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 22 L 7.70 3.71 0.00 1.64 1.70 0.96 0.75 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 23 Q 7.95 3.86 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 24 A 8.04 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 3.47 0.57 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 0.00 0.00 26 A 8.22 3.98 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 27 D 8.22 4.48 0.00 2.85 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 28 S 8.21 4.46 0.00 4.18 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 0.00 29 I 8.08 3.73 2.02 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 1.37 1.18 0.65 0.00 0.00 30 F 8.39 4.06 0.00 3.25 3.24 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 31 F 9.09 4.09 0.00 3.40 3.22 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 0.00 32 K 8.44 3.96 0.00 2.12 2.05 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 Y 7.97 4.09 0.00 3.03 3.11 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 34 L 8.65 4.10 0.00 1.68 1.71 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.69 3.72 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 1.10 0.00 0.00 36 A 7.37 3.82 0.71 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 0.00 0.00 37 Y 7.54 4.73 0.00 2.40 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 38 P 0.00 4.48 0.00 2.23 2.27 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.85 0.00 39 G 8.23 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 0.00 0.00 0.00 40 D 8.21 4.51 0.00 3.34 3.36 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 41 L 8.37 4.38 0.00 1.98 1.84 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.92 4.03 1.14 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 43 F 7.81 4.30 0.00 2.37 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 44 F 7.80 4.38 0.00 2.30 1.57 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 45 H 8.05 4.11 0.00 3.11 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.95 4.22 0.00 1.84 2.12 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.58 7.81 47 F 8.12 4.95 0.00 3.11 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 48 S 8.20 4.36 0.00 3.97 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 49 S 7.86 4.62 0.00 3.98 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 50 V 7.47 3.87 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 0.70 0.00 0.00 1.04 0.00 0.00 51 P 0.00 4.36 0.00 1.44 1.94 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.60 0.00 52 L 8.70 3.89 0.00 1.77 1.85 0.77 0.62 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 53 Y 8.01 4.50 0.00 3.12 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 54 G 7.84 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 55 L 7.69 3.66 0.00 1.31 0.18 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.72 4.00 0.00 1.65 1.92 0.00 2.90 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 57 S 7.32 4.44 0.00 3.78 3.97 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 58 N 7.95 4.53 0.00 2.88 2.70 0.00 0.00 6.75 7.06 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 59 P 0.00 4.25 0.00 2.30 2.31 0.00 3.74 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 2.08 2.05 0.00 60 A 8.39 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 2.85 0.00 2.24 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 62 K 7.89 3.80 0.00 1.85 1.81 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.70 7.81 63 A 8.05 3.97 1.34 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 64 Q 7.72 3.84 0.00 2.32 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 65 T 7.61 3.71 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 0.39 0.00 0.00 66 L 7.92 3.94 0.00 2.02 1.84 0.91 0.60 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 67 T 8.11 3.94 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 1.23 0.00 0.00 68 V 7.87 3.75 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 1.19 0.00 0.00 1.12 0.00 0.00 69 I 8.23 3.85 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 1.02 0.00 0.00 70 N 8.34 4.44 0.00 3.01 3.15 0.00 0.00 6.76 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 71 Y 8.00 4.05 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 72 L 8.44 4.03 0.00 2.19 1.84 1.15 1.42 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 73 D 8.72 4.27 0.00 3.25 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 74 K 7.35 3.84 0.00 1.68 1.65 0.00 1.91 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 75 V 7.37 3.56 2.12 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 0.95 0.00 0.00 0.80 0.00 0.00 76 V 7.77 3.32 1.26 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 0.41 0.00 0.00 0.46 0.00 0.00 77 D 8.01 4.40 0.00 2.73 2.66 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 78 A 7.06 4.57 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 79 L 7.66 3.91 0.00 1.55 1.61 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.25 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.07 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 82 N 8.72 4.73 0.00 2.91 3.01 0.00 0.00 5.82 7.93 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 83 A 7.83 3.98 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 G 8.19 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 0.00 0.00 0.00 85 A 7.80 4.11 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 86 L 7.61 4.12 0.00 1.81 1.61 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.47 4.35 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 88 K 8.14 3.70 0.00 2.09 1.97 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 89 A 7.78 4.06 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 90 K 7.82 4.41 0.00 1.92 1.91 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.14 7.81 91 V 7.81 3.36 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 1.02 0.00 0.00 0.73 0.00 0.00 92 P 0.00 4.18 0.00 2.17 2.10 0.00 3.65 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 2.11 2.15 0.00 93 S 8.11 4.03 0.00 3.85 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 94 H 8.18 4.38 0.00 3.49 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.48 4.28 0.00 2.81 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 96 A 7.68 3.98 1.34 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 97 M 7.16 4.26 0.00 1.82 2.12 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 98 G 8.12 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 99 I 7.27 3.68 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.32 0.67 0.00 0.00 100 T 8.26 4.49 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 1.25 0.00 0.00 101 P 0.00 4.11 0.00 2.13 2.09 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 102 K 7.93 4.00 0.00 1.83 1.77 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 103 H 8.55 4.39 0.00 3.37 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.55 4.03 0.00 3.03 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 0.00 105 G 8.19 3.65 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 0.00 0.00 0.00 106 Q 7.88 4.16 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 107 L 7.72 4.01 0.00 1.31 1.54 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.20 4.04 0.00 2.00 1.80 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.13 4.06 0.00 2.14 1.91 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.68 7.81 110 L 7.73 4.38 0.00 1.86 1.66 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.15 3.30 1.14 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 0.44 0.00 0.00 -1.04 0.00 0.00 112 G 7.81 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.80 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 1.32 0.00 0.00 1.03 0.00 0.00 115 F 8.51 4.86 0.00 3.19 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 0.00 116 Q 8.29 4.02 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 117 E 8.51 4.15 0.00 1.97 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 2.37 2.50 0.00 118 E 8.33 4.45 0.00 1.35 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 2.07 2.17 0.00 119 F 8.06 4.76 0.00 3.08 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 0.00 120 S 8.32 3.72 0.00 4.04 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 0.00 121 A 7.46 4.38 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 0.00 122 D 8.53 4.71 0.00 2.94 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 0.00 123 P 0.00 4.28 0.00 2.21 2.20 0.00 3.64 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 2.15 2.23 0.00 124 T 8.19 3.92 4.56 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 1.24 0.00 0.00 125 T 7.98 3.94 4.52 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 1.46 0.00 0.00 126 V 8.14 3.77 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 1.09 0.00 0.00 1.11 0.00 0.00 127 A 8.36 4.05 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 0.00 128 A 8.42 3.99 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 0.00 129 W 8.47 3.96 0.00 3.72 3.22 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 0.00 130 G 8.18 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 0.00 131 D 8.15 4.32 0.00 2.83 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 0.00 132 A 8.22 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.32 4.14 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.65 3.65 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 0.00 0.00 0.00 135 V 7.73 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 0.99 0.00 0.00 0.94 0.00 0.00 136 L 8.08 4.05 0.00 1.73 1.77 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.14 3.69 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 1.02 0.00 0.00 1.06 0.00 0.00 138 A 7.89 3.98 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 0.00 139 A 7.66 4.06 1.31 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 0.00 0.00 0.00 140 M 7.53 4.11 0.00 1.78 2.19 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.38 0.00 141 K 7.52 4.12 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.50 7.81