NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2871 8.1749 110.9365 61.5492 70.1087 172.4961 4 I 4.2190 7.8758 122.5001 58.7272 38.9199 174.4595 5 N 4.4702 9.2522 125.3268 52.1972 39.8981 173.0963 6 P 4.2117 0.0000 0.0000 63.6032 31.9428 175.6622 7 T 4.2412 8.2368 118.8709 62.4830 69.8798 175.7941 8 N 4.6037 8.1035 125.1123 52.7488 37.2860 174.8280 9 Y 4.1815 7.9011 123.3409 60.5226 38.2522 177.5424 10 T 3.9277 7.9080 116.6052 66.4883 68.5514 176.3048 11 L 3.9599 7.8170 121.8061 57.9028 42.1688 178.4195 12 L 3.9437 7.9918 120.3148 58.2550 42.0616 179.1548 13 K 4.0357 8.6358 118.7531 59.4268 31.9481 179.5628 14 K 4.0403 7.9606 118.5761 59.6166 31.9325 179.5291 15 Q 4.0529 8.5524 118.4363 58.5694 28.6744 178.6779 16 A 3.9672 8.2990 122.2055 54.9867 17.9386 179.4603 17 A 3.9534 8.0457 119.2883 55.6354 18.2833 180.1570 18 S 4.1291 7.8739 112.3305 61.2980 62.8835 176.4486 19 L 4.1502 7.9228 122.8938 57.6342 42.2467 178.3881 20 I 4.3300 7.2771 110.5159 59.5550 37.9587 174.5686 21 E 4.0902 7.2415 121.0620 58.0491 29.7865 176.6000 22 D 4.6670 8.8950 123.8513 54.6728 38.4750 173.2411 23 E 4.8075 7.7955 118.2518 55.1099 31.5615 175.6467 24 H 4.8448 8.5350 116.0694 54.5801 31.3546 173.5414 25 H 4.2957 8.1308 120.2650 55.7081 30.2612 174.6738 26 M 3.8756 8.4905 128.5295 58.9412 32.1116 178.0009 27 I 3.6060 7.4390 118.9554 64.2736 37.3458 178.1160 28 A 3.9969 8.1693 121.0974 55.1598 18.2274 179.5746 29 I 3.5854 7.8911 118.3287 64.6065 37.2714 178.7135 30 L 3.3978 8.0939 120.1367 57.5008 40.8309 179.8732 31 S 4.0546 8.0998 115.1003 61.8393 62.7809 176.5481 32 N 4.3673 8.1231 119.0847 56.5697 38.1425 177.5080 33 M 4.1447 8.3689 120.6024 58.2226 31.9324 178.8932 34 S 4.1456 8.3387 114.3529 61.3972 63.0353 176.5628 35 A 3.8981 7.7400 123.8376 54.6714 17.9287 179.3117 36 L 3.8860 7.9401 118.0276 58.3114 42.5711 178.9827 37 L 4.1503 8.2949 119.2641 57.7903 41.3714 178.8649 38 N 4.3001 8.1588 116.1289 56.9145 38.9463 176.3638 39 D 4.5360 8.3580 119.1487 56.0354 40.9955 176.7471 40 N 4.8636 7.6665 113.8406 52.5111 39.5578 173.8930 41 L 4.6052 7.7244 118.8276 52.7987 43.7660 175.5681 42 D 4.5828 8.5217 123.0522 54.2893 42.6157 175.2481 43 Q 3.5456 8.6060 120.3553 57.2798 25.8509 173.2487 44 I 4.8356 7.5378 108.6302 59.1773 40.8153 174.6914 45 N 5.1254 8.9075 116.3832 52.2709 39.4843 173.6643 46 W 5.3088 7.9902 129.2279 56.5432 34.6506 173.3019 47 V 4.8896 7.9053 126.3173 60.7704 34.3824 174.6086 48 G 3.6767 8.3867 111.8215 45.7431 0.0000 171.5956 49 F 5.6921 8.8632 117.2237 55.9689 43.5541 174.0346 50 Y 5.1035 9.0763 117.5737 56.3477 41.8989 174.5112 51 L 5.1897 9.0407 123.4274 52.7457 44.9231 175.4121 52 L 4.7114 8.3667 125.6763 54.8276 43.0524 176.2668 53 E 4.5464 9.7894 125.9127 56.3580 33.9933 175.3707 54 Q 3.3865 9.4357 123.2028 57.7557 26.1626 173.1844 55 N 4.3109 8.3024 106.8695 53.7602 36.9028 174.2861 56 E 4.8184 7.8319 113.8218 54.8492 33.7293 173.9305 57 L 4.9013 8.9876 121.7068 54.2996 43.6093 175.8333 58 I 5.0648 8.9887 123.6492 58.9409 40.5492 174.7550 59 L 3.4340 8.7738 129.1620 56.1652 42.2939 176.4512 60 G 4.5428 8.2220 114.4446 44.0081 0.0000 170.4150 61 P 4.5922 0.0000 0.0000 63.4038 32.4022 175.6179 62 F 4.8681 7.7230 116.2758 56.2474 40.9028 172.9372 63 Q 4.1867 10.0465 118.8707 53.7921 31.0068 176.4488 64 G 3.9373 8.1190 112.2081 45.2904 0.0000 171.7357 65 H 4.8721 8.4627 117.8113 54.2670 29.8388 173.3680 66 P 4.5055 0.0000 0.0000 63.4645 31.6060 175.4650 67 A 4.7243 8.0863 122.8975 49.8218 22.3637 175.4559 68 C 4.3065 8.2774 117.0668 60.1871 28.9557 174.6594 69 V 3.9037 8.6277 123.9738 65.7096 32.4406 175.1670 70 H 5.3760 8.2383 116.3131 54.1195 30.7254 174.4600 71 I 4.4712 8.5598 123.4447 58.7061 40.4134 173.4722 72 P 4.6841 0.0000 0.0000 62.0441 32.6638 176.3667 73 I 3.9001 8.1845 123.8461 62.8100 37.5027 176.9545 74 G 3.9320 8.9293 113.6719 45.1806 0.0000 173.3752 75 K 4.1712 7.9715 120.6022 55.8670 32.7702 178.0009 76 G 4.1260 8.6939 113.9880 44.8318 0.0000 173.6308 77 V 2.5806 7.6554 116.4147 65.9611 31.4005 177.9594 78 C 4.0614 7.6898 115.9232 62.7459 27.9164 176.2216 79 G 3.5783 7.6898 106.9371 48.1316 0.0000 175.9247 80 T 4.1381 8.6305 119.5742 65.7503 68.4612 176.7055 81 A 4.2004 8.1068 124.2288 54.4315 18.0958 179.9941 82 V 3.4401 7.3431 115.7722 66.2458 31.9069 177.7493 83 S 4.2547 8.0626 112.8426 60.8709 61.8497 175.4618 84 E 4.1984 8.5716 119.7658 56.0757 29.7931 177.1038 85 R 3.9847 7.9760 116.5336 56.7414 28.3501 175.9888 86 R 4.8215 7.3740 110.4549 54.2196 32.6427 174.2991 87 T 4.2733 8.5558 116.1697 64.2769 69.4046 173.4608 88 Q 4.5914 9.4025 125.1177 54.1953 31.3479 174.7763 89 V 4.5166 8.5863 124.8073 61.3007 33.1046 174.8152 90 V 4.3574 8.9877 129.7545 61.1842 32.4478 176.2505 91 A 4.1125 8.8027 130.9907 54.5206 19.9272 176.3535 92 D 4.8710 7.9543 115.1893 53.2132 42.9675 175.8633 93 V 3.5091 8.5670 122.1530 64.6301 31.6726 178.5459 94 H 4.4575 8.3680 115.7286 57.9474 28.6055 176.2816 95 Q 4.1892 8.1118 117.7607 56.7865 29.3672 175.5984 96 F 4.1238 7.9485 121.1368 56.5940 39.2892 174.6122 97 K 4.0749 8.1524 130.0267 57.8195 32.4121 176.7861 98 G 3.9269 8.8786 112.7998 45.8048 0.0000 172.8635 99 H 4.0807 8.0828 119.3208 56.7708 29.9406 175.0977 100 I 4.2038 7.6551 119.6953 58.3599 37.8372 174.3561 101 A 4.3639 6.9944 127.5231 52.6787 20.4562 176.7931 102 C 4.2052 7.9951 115.8126 59.1767 31.8502 172.7399 103 D 4.2781 8.2537 118.6989 54.4103 40.2767 176.6385 104 A 3.9309 8.5811 130.6315 55.5390 18.5810 177.8210 105 N 4.6674 8.2348 111.6988 53.2768 38.5006 174.6474 106 S 4.9507 8.3964 114.8159 57.1348 62.3391 173.2627 107 K 4.6916 9.3966 128.4642 56.6808 35.0500 176.5291 108 S 5.1393 7.8753 112.6244 56.9988 66.9231 172.6510 109 E 5.3105 9.3036 120.9498 55.4440 33.8273 173.4901 110 I 4.9344 8.4364 123.1058 59.3193 41.8946 173.7458 111 V 4.8161 9.0063 129.0586 61.0061 34.6325 174.0227 112 V 4.7685 8.4619 127.8481 60.1781 33.7984 173.0795 113 P 4.7541 0.0000 0.0000 62.9302 32.4763 175.4921 114 I 4.7298 8.7018 122.8284 59.7798 39.4816 174.8644 115 F 5.4487 9.6950 125.7440 55.8929 42.3404 175.4129 116 K 4.4302 9.0211 121.2499 56.6428 35.0464 175.8183 117 D 4.5045 9.6575 126.7695 55.7649 38.3813 173.8013 118 D 4.5615 8.5499 113.4427 54.8111 38.8517 173.8133 119 K 4.7641 7.8945 118.9695 54.2913 34.5040 175.8088 120 I 3.7661 8.3039 124.4932 61.2975 37.6726 175.7670 121 I 4.3639 9.6649 117.3462 59.9030 39.4818 175.4935 122 G 4.3189 6.9225 108.2500 47.1360 0.0000 171.4651 123 V 5.0906 8.3219 111.7812 59.8063 36.8696 174.1577 124 L 4.7727 8.8981 125.2030 53.5301 44.0084 174.5449 125 D 5.3959 9.2420 126.1114 52.5429 44.2844 174.4731 126 I 5.3535 8.5855 126.0778 59.7042 41.2821 174.1372 127 D 5.7739 9.4312 125.4330 51.6045 43.2649 174.3884 128 A 5.3552 9.4193 119.9617 48.3387 22.8764 175.0896 129 P 5.3808 0.0000 0.0000 62.6803 31.7667 176.1104 130 I 4.6884 7.1246 111.4300 59.1740 40.5951 175.0019 131 T 4.2211 8.3184 111.6228 61.9690 69.5455 173.1870 132 D 4.4264 8.8713 119.3444 55.2876 39.1899 175.8654 133 R 3.7269 7.7573 119.7924 58.3173 30.2977 176.3919 134 F 5.1409 7.7596 116.0154 55.6065 40.9544 174.5424 135 D 5.1606 8.7686 125.4247 51.4144 42.1104 176.4191 136 D 4.4215 8.5724 117.3419 57.5499 40.6582 178.3847 137 N 4.2793 8.6103 118.0738 56.7322 38.9111 176.7257 138 D 4.3153 8.3877 119.9091 56.9835 41.0090 178.3705 139 K 3.8271 7.9938 120.1740 59.4498 32.3352 178.1790 140 E 3.8068 7.9699 119.3371 59.9250 29.4747 178.6945 141 H 4.1436 7.5008 115.4593 58.5972 28.4935 177.9118 142 L 4.0494 8.0940 121.3691 57.7214 41.4163 179.3311 143 E 3.9775 8.3125 118.4865 59.2287 29.4725 179.2352 144 A 4.0459 7.8545 120.7157 55.1307 18.4390 179.7938 145 I 3.7742 8.0126 118.6628 64.4234 37.1759 178.7652 146 V 3.7130 8.2249 119.5527 66.0441 31.3514 178.3112 147 K 4.2760 8.1200 118.2116 59.3051 31.5836 179.4381 148 I 3.7609 7.3950 119.2907 64.3458 37.3385 178.2094 149 I 3.8757 7.7273 120.6703 64.4094 37.0015 178.2457 150 E 4.0165 8.7139 119.8306 59.3758 29.0475 179.3361 151 K 3.9689 8.0290 118.7722 59.5740 32.2902 178.4891 152 Q 4.0959 7.8439 116.7434 57.7671 28.8272 177.3541 153 L 4.3766 7.6486 117.3162 54.9226 42.3539 176.7676 154 A 4.3177 7.7078 125.6658 52.7065 18.5041 176.9186 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 3 T 8.17 4.29 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 1.20 0.00 0.00 4 I 7.88 4.22 1.83 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 0.72 0.85 0.00 0.00 5 N 9.25 4.47 0.00 2.74 2.73 0.00 0.00 7.06 7.88 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 6 P 0.00 4.21 0.00 2.02 2.02 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 2.03 2.14 0.00 7 T 8.24 4.24 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 0.22 0.00 0.00 8 N 8.10 4.60 0.00 2.73 2.64 0.00 0.00 7.23 7.56 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 9 Y 7.90 4.18 0.00 2.82 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 10 T 7.91 3.93 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 1.23 0.00 0.00 11 L 7.82 3.96 0.00 1.75 1.80 0.92 0.51 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 12 L 7.99 3.94 0.00 1.87 1.86 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.64 4.04 0.00 1.91 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.77 7.81 14 K 7.96 4.04 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 15 Q 8.55 4.05 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 16 A 8.30 3.97 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 17 A 8.05 3.95 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 18 S 7.87 4.13 0.00 3.88 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 19 L 7.92 4.15 0.00 1.93 1.82 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.28 4.33 1.83 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 1.65 0.50 0.89 0.00 0.00 21 E 7.24 4.09 0.00 2.19 1.90 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 2.32 2.28 0.00 22 D 8.89 4.67 0.00 2.90 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 23 E 7.80 4.81 0.00 2.08 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 2.23 2.37 0.00 24 H 8.53 4.84 0.00 3.05 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.13 4.30 0.00 3.24 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.49 3.88 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 27 I 7.44 3.61 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.90 0.00 0.00 28 A 8.17 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 29 I 7.89 3.59 1.91 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 1.47 0.67 0.81 0.00 0.00 30 L 8.09 3.40 0.00 1.54 1.37 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.10 4.05 0.00 3.98 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 32 N 8.12 4.37 0.00 2.84 2.85 0.00 0.00 7.13 7.67 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 33 M 8.37 4.14 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.80 0.00 34 S 8.34 4.15 0.00 4.17 4.40 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 35 A 7.74 3.90 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 36 L 7.94 3.89 0.00 1.70 1.89 0.92 1.34 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 37 L 8.29 4.15 0.00 1.85 1.72 0.95 0.71 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 38 N 8.16 4.30 0.00 2.76 2.95 0.00 0.00 7.32 9.28 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 39 D 8.36 4.54 0.00 2.79 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 40 N 7.67 4.86 0.00 2.76 2.72 0.00 0.00 6.81 7.38 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 41 L 7.72 4.61 0.00 1.70 1.63 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.52 4.58 0.00 2.58 2.51 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 0.00 0.00 0.00 0.00 43 Q 8.61 3.55 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 44 I 7.54 4.84 2.02 0.00 0.00 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 1.65 0.71 1.13 0.00 0.00 45 N 8.91 5.13 0.00 2.85 3.11 0.00 0.00 6.70 8.40 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 46 W 7.99 5.31 0.00 3.41 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 47 V 7.91 4.89 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 0.64 0.00 0.00 0.80 0.00 0.00 48 G 8.39 3.68 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 49 F 8.86 5.69 0.00 2.94 2.96 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 50 Y 9.08 5.10 0.00 2.99 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 L 9.04 5.19 0.00 1.58 1.56 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.37 4.71 0.00 1.66 1.57 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.79 4.55 0.00 2.00 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 2.24 2.29 0.00 54 Q 9.44 3.39 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 55 N 8.30 4.31 0.00 2.86 2.88 0.00 0.00 6.97 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 56 E 7.83 4.82 0.00 2.04 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 2.53 2.33 0.00 57 L 8.99 4.90 0.00 1.63 1.70 0.72 0.80 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 58 I 8.99 5.06 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.11 0.90 0.00 0.00 59 L 8.77 3.43 0.00 1.62 1.61 0.49 0.95 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 60 G 8.22 4.54 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 0.00 0.00 0.00 61 P 0.00 4.59 0.00 2.13 1.95 0.00 3.68 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 2.06 2.07 0.00 62 F 7.72 4.87 0.00 1.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 10.05 4.19 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.10 2.40 0.00 64 G 8.12 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 0.00 0.00 0.00 65 H 8.46 4.87 0.00 3.34 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.94 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 4.51 0.00 2.14 2.15 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 67 A 8.09 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.28 4.31 0.00 2.93 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 69 V 8.63 3.90 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 0.93 0.00 0.00 0.99 0.00 0.00 70 H 8.24 5.38 0.00 3.04 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.56 4.47 1.64 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.53 0.71 0.00 0.00 72 P 0.00 4.68 0.00 2.05 1.95 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 73 I 8.18 3.90 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.90 0.00 0.00 74 G 8.93 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 75 K 7.97 4.17 0.00 1.96 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.50 7.81 76 G 8.69 4.13 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 0.00 77 V 7.66 2.58 1.65 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 0.69 0.00 0.00 0.01 0.00 0.00 78 C 7.69 4.06 0.00 2.64 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 79 G 7.69 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 80 T 8.63 4.14 4.63 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 1.41 0.00 0.00 81 A 8.11 4.20 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 82 V 7.34 3.44 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 0.85 0.00 0.00 0.94 0.00 0.00 83 S 8.06 4.25 0.00 4.05 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 84 E 8.57 4.20 0.00 2.25 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 2.30 2.29 0.00 85 R 7.98 3.98 0.00 2.11 2.31 0.00 3.18 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 86 R 7.37 4.82 0.00 1.94 2.01 0.00 2.81 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 87 T 8.56 4.27 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 1.26 0.00 0.00 88 Q 9.40 4.59 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 89 V 8.59 4.52 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 0.87 0.00 0.00 0.95 0.00 0.00 90 V 8.99 4.36 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 1.09 0.00 0.00 0.93 0.00 0.00 91 A 8.80 4.11 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 92 D 7.95 4.87 0.00 2.70 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 93 V 8.57 3.51 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 0.62 0.00 0.00 0.84 0.00 0.00 94 H 8.37 4.46 0.00 3.28 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.11 4.19 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 96 F 7.95 4.12 0.00 3.05 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 97 K 8.15 4.07 0.00 1.65 1.52 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 98 G 8.88 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 99 H 8.08 4.08 0.00 3.45 3.30 0.00 5.71 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 0.00 100 I 7.66 4.20 1.76 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 1.25 0.70 0.89 0.00 0.00 101 A 6.99 4.36 1.19 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 0.00 0.00 102 C 8.00 4.21 0.00 2.88 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 0.00 103 D 8.25 4.28 0.00 2.63 2.52 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 0.00 104 A 8.58 3.93 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 0.00 105 N 8.23 4.67 0.00 2.78 2.87 0.00 0.00 6.63 7.44 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 0.00 106 S 8.40 4.95 0.00 3.75 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 0.00 107 K 9.40 4.69 0.00 1.60 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 108 S 7.88 5.14 0.00 4.08 4.13 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 0.00 109 E 9.30 5.31 0.00 1.98 1.68 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 2.07 2.39 0.00 110 I 8.44 4.93 1.28 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.25 -0.34 0.00 0.00 111 V 9.01 4.82 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 0.82 0.00 0.00 0.83 0.00 0.00 112 V 8.46 4.77 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 1.09 0.00 0.00 0.89 0.00 0.00 113 P 0.00 4.75 0.00 1.69 1.93 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 114 I 8.70 4.73 1.96 0.00 0.00 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 1.35 0.94 0.95 0.00 0.00 115 F 9.69 5.45 0.00 2.79 2.96 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 0.00 116 K 9.02 4.43 0.00 1.79 1.64 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.44 7.81 117 D 9.66 4.50 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 118 D 8.55 4.56 0.00 2.87 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 0.00 119 K 7.89 4.76 0.00 1.98 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.58 7.81 120 I 8.30 3.77 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.32 0.68 0.00 0.00 121 I 9.66 4.36 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 1.31 0.74 0.97 0.00 0.00 122 G 6.92 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 0.00 123 V 8.32 5.09 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 0.60 0.00 0.00 1.02 0.00 0.00 124 L 8.90 4.77 0.00 1.82 1.53 0.40 1.39 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 0.00 125 D 9.24 5.40 0.00 2.87 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 0.00 126 I 8.59 5.35 1.52 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 1.18 0.00 0.00 127 D 9.43 5.77 0.00 2.89 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 0.00 128 A 9.42 5.36 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 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 5.38 0.00 2.21 2.20 0.00 3.51 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 130 I 7.12 4.69 1.84 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 1.39 0.64 0.89 0.00 0.00 131 T 8.32 4.22 4.36 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 1.29 0.00 0.00 132 D 8.87 4.43 0.00 2.72 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 0.00 133 R 7.76 3.73 0.00 1.42 1.24 0.00 2.95 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 134 F 7.76 5.14 0.00 3.13 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 0.00 135 D 8.77 5.16 0.00 2.93 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 0.00 136 D 8.57 4.42 0.00 2.72 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 0.00 137 N 8.61 4.28 0.00 2.79 3.08 0.00 0.00 7.08 8.19 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 0.00 138 D 8.39 4.32 0.00 3.09 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 0.00 139 K 7.99 3.83 0.00 1.86 2.01 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 140 E 7.97 3.81 0.00 1.96 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 2.02 2.24 0.00 141 H 7.50 4.14 0.00 1.84 2.64 0.00 5.86 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 0.00 142 L 8.09 4.05 0.00 1.69 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.31 3.98 0.00 2.15 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 2.34 2.64 0.00 144 A 7.85 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 0.00 145 I 8.01 3.77 2.10 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 1.50 1.05 1.01 0.00 0.00 146 V 8.22 3.71 2.33 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 1.07 0.00 0.00 1.05 0.00 0.00 147 K 8.12 4.28 0.00 2.05 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.72 7.81 148 I 7.39 3.76 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.93 0.00 0.00 149 I 7.73 3.88 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.84 0.00 0.00 150 E 8.71 4.02 0.00 2.16 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 2.57 2.61 0.00 151 K 8.03 3.97 0.00 1.85 2.04 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 152 Q 7.84 4.10 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 153 L 7.65 4.38 0.00 1.61 1.70 0.86 0.71 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 0.00 154 A 7.71 4.32 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