NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0847 8.0549 120.3927 62.6611 32.6927 174.8587 2 L 4.3245 8.2872 126.6456 51.8562 43.1829 175.5034 3 S 4.5982 8.8865 117.2234 57.5346 66.4630 174.7462 4 E 4.2829 8.8317 122.6291 59.5318 29.2918 179.1205 5 G 3.6357 8.0966 105.3355 47.8260 0.0000 175.4303 6 E 3.9311 7.9386 120.5470 58.8983 29.4433 179.4015 7 W 4.3235 8.1722 119.0226 59.9168 29.1234 178.4885 8 Q 4.1648 8.6561 118.3758 59.1207 27.7894 179.0376 9 L 4.1046 7.8868 119.5832 57.6004 41.5979 179.8249 10 V 3.7443 7.7885 118.1581 66.2073 31.7522 178.2585 11 L 4.2885 8.6448 118.8829 57.6649 41.1630 179.0281 12 H 4.3421 8.2784 118.3707 59.1714 30.2441 177.3154 13 V 3.7578 7.7655 120.5914 64.2234 31.4951 178.2080 14 W 3.9404 8.4753 128.9416 60.0623 30.2697 177.7818 15 A 4.0390 7.8390 119.8775 54.8489 18.0315 179.4539 16 K 3.9451 7.6921 117.0802 59.3445 32.1476 179.5671 17 V 2.8347 7.1021 118.0057 65.7655 31.0779 177.4395 18 E 3.9128 7.5082 115.6886 58.0072 29.2865 178.5155 19 A 4.2189 7.5852 120.7421 53.8584 19.8096 177.6929 20 D 4.6812 7.8516 116.5891 52.1094 42.9826 175.7233 21 V 3.4442 7.9723 124.0996 64.2813 31.8425 178.1043 22 A 4.0582 8.0437 121.4198 54.7551 18.2591 179.6832 23 G 3.6621 8.1899 105.4084 47.8133 0.0000 175.6938 24 H 4.1210 8.1830 118.7431 58.1832 28.6260 178.0002 25 G 3.4475 8.2689 107.9774 47.9004 0.0000 175.6406 26 Q 4.0848 7.9503 120.7181 58.8028 28.7800 178.6874 27 D 4.3450 7.8006 119.2976 57.3819 40.7380 179.0491 28 I 3.5784 7.5635 120.1629 64.0552 37.0757 178.5029 29 W 4.2582 7.7248 119.6676 59.9652 28.9058 178.7200 30 I 3.8672 7.9330 119.6965 64.1949 36.5201 178.4868 31 R 3.7892 8.0694 119.5876 59.2531 29.8693 178.2368 32 L 3.9317 7.9681 120.1119 58.4502 41.9708 179.0902 33 F 4.6036 8.3647 117.8347 60.3136 38.5152 177.7406 34 K 4.0937 7.9048 117.5459 59.1495 32.1667 179.1108 35 S 4.2878 7.9870 114.5402 60.3330 64.3606 174.5487 36 H 4.7777 8.3479 118.3895 51.9118 29.2567 171.8145 37 P 4.5730 0.0000 0.0000 64.6426 31.4456 177.6931 38 E 4.0852 8.2281 116.2559 59.4667 29.5106 179.1099 39 T 3.8798 8.1170 110.8753 64.4999 68.7610 176.2391 40 L 3.8383 7.9572 123.3831 57.8699 41.7885 178.5282 41 E 4.1542 7.9504 117.0989 58.4916 29.4292 178.5718 42 K 4.4150 8.1221 117.4332 56.7755 32.9186 177.4589 43 F 4.5346 8.1198 119.1441 55.3980 39.0438 175.8232 44 D 4.3469 8.4076 123.8049 56.3924 40.9806 177.9660 45 R 3.9672 7.5767 117.7597 57.1948 30.5152 176.3618 46 F 5.0317 7.4731 113.8203 56.7523 40.7786 176.5216 47 K 3.9937 8.3730 120.5643 58.9228 32.2291 177.3492 48 H 4.5188 8.0557 113.9613 56.4004 29.2801 175.4077 49 L 4.1029 7.6210 121.9027 54.8405 41.6967 176.7953 50 K 4.2930 9.4352 123.7344 57.1952 33.5600 176.9161 51 T 4.7168 7.4155 107.5578 58.9917 73.1052 174.3117 52 E 3.9416 8.6056 120.7675 59.2531 29.2664 178.5113 53 A 3.9744 7.9255 120.5289 55.2232 18.2770 179.3223 54 E 3.9555 7.7850 115.7168 59.5489 29.6591 179.1794 55 M 4.1384 7.9678 118.8380 58.2794 31.8705 178.7094 56 K 4.0145 8.1970 118.1049 58.5848 32.4446 177.8129 57 A 4.5045 7.3235 118.7985 51.6843 19.3249 176.9677 58 S 4.2109 7.3406 113.8688 57.6955 62.8431 174.4476 59 E 4.0159 8.9137 129.2228 59.3804 29.4972 178.2307 60 D 4.4851 8.1378 118.6232 57.3597 41.0273 178.3258 61 L 3.2776 7.9726 120.8891 57.5615 41.8968 178.9424 62 K 3.9999 7.8901 119.3334 59.5464 32.3298 178.8973 63 K 4.0343 8.2366 118.7648 59.8761 31.9788 178.8345 64 H 4.5155 8.7369 118.6677 59.2052 29.7809 177.5084 65 G 3.7971 8.6651 107.7832 47.8611 0.0000 175.8483 66 V 3.6230 7.7824 120.2069 66.0348 31.5486 178.2880 67 T 3.9309 7.8984 115.0774 66.5817 68.3291 176.8327 68 V 3.6231 7.9667 120.0511 66.2076 31.6010 178.2068 69 L 4.1864 8.0888 118.6068 57.8845 41.3893 179.6954 70 T 4.0035 8.1544 115.8920 66.4507 68.2646 176.6476 71 A 4.0088 8.0546 122.8060 55.0832 18.4274 179.4908 72 L 3.7524 8.1318 119.0634 58.0822 42.1127 179.3880 73 G 3.2935 8.5690 105.9546 47.5936 0.0000 175.5313 74 A 4.0044 7.7949 122.2387 54.9024 18.6673 179.5934 75 I 3.7901 7.3443 118.1644 64.5341 37.2322 178.6403 76 L 3.9780 7.6903 119.8147 57.6678 41.1748 179.6077 77 K 3.9958 7.6198 116.9567 58.4362 32.2899 178.7309 78 K 3.9624 7.7817 118.2153 56.0338 32.6123 176.5855 79 K 2.0000 8.1747 118.2958 56.4485 29.8002 175.7644 80 G 3.9325 7.9652 105.9132 45.5911 0.0000 173.8433 81 H 5.0610 7.5190 118.1984 54.3952 27.5117 174.5557 82 H 5.2853 7.2062 111.1306 54.4819 29.4005 176.5779 83 E 3.9732 8.6337 120.9129 60.4987 28.9737 178.9244 84 A 4.0385 7.9744 118.3627 55.4564 18.2239 179.1036 85 E 4.1110 8.1624 116.4359 59.3309 29.5778 179.2220 86 L 4.2270 8.1991 118.9875 56.9980 41.6987 179.4386 87 K 3.9751 7.7955 118.8280 59.0816 32.0755 177.5280 88 P 4.3348 0.0000 0.0000 65.6242 31.3286 178.1728 89 L 4.0260 7.5500 116.7934 57.9702 42.0446 178.8265 90 A 4.1942 8.4748 121.2223 55.1576 18.2511 179.4068 91 Q 3.8922 8.2843 118.3454 59.3381 29.1108 178.6528 92 S 4.0033 8.1202 115.3400 61.9060 63.1215 176.1370 93 H 4.2235 8.5608 119.3487 57.5799 28.2181 177.4158 94 A 3.0085 7.5974 121.9415 54.2105 18.9828 179.0923 95 T 3.8789 7.5808 112.8415 65.4618 68.9759 176.2424 96 K 4.0718 7.4577 119.6792 58.8986 32.8265 177.2914 97 H 4.2814 7.9976 114.5926 56.2699 29.4312 175.5822 98 K 3.2261 7.4859 117.0978 57.0160 28.6219 175.0427 99 I 4.3104 8.2327 118.8423 58.6568 38.5227 174.9812 100 P 4.6440 0.0000 0.0000 62.2888 32.2397 177.4599 101 I 3.6839 8.3443 120.5263 64.4588 36.8908 178.4619 102 K 3.6941 7.9443 120.1132 59.7467 31.9654 178.2440 103 Y 4.2663 8.0618 116.8643 60.8171 37.6439 178.1172 104 L 4.2929 7.8815 119.5406 57.4295 41.7779 179.0821 105 E 4.0449 7.9079 118.6441 59.2184 29.4420 179.1828 106 F 4.5384 7.7921 117.8450 60.8130 39.0505 177.6281 107 I 3.9040 8.1517 118.0127 63.8179 37.7556 178.1659 108 S 4.1975 7.9444 116.4944 61.5179 62.6597 176.0880 109 E 4.0205 8.4191 121.9014 59.2170 29.3861 178.7543 110 A 4.0222 8.0244 120.8292 55.0695 18.4377 179.7085 111 I 3.6207 7.8733 118.3216 64.6573 37.2469 178.7335 112 I 3.8222 7.7776 120.5916 64.5870 36.9158 178.0475 113 H 4.1227 8.2918 119.1370 59.2668 29.7036 177.5636 114 V 3.5553 7.8508 120.0762 65.9656 31.3166 178.0228 115 L 3.7465 7.7909 118.7769 57.8025 41.0489 178.9440 116 H 4.2653 7.7807 117.3451 59.3637 29.8765 177.3015 117 S 4.1842 7.7509 116.0082 61.4544 62.8095 176.3045 118 R 4.1382 7.8054 118.7389 57.1979 31.0043 176.2798 119 H 5.0327 8.1876 116.4287 53.6974 29.8099 173.1774 120 P 4.2424 0.0000 0.0000 66.0231 31.3082 178.9313 121 G 3.6762 8.1258 106.2470 47.4611 0.0000 173.6434 122 N 5.0559 8.2859 115.8677 52.8518 39.7379 175.1240 123 F 4.8479 7.8599 118.4809 56.1545 39.5441 173.8866 124 G 3.9232 7.5928 109.9223 43.6312 0.0000 171.5871 125 A 3.8973 8.4572 120.6656 55.5519 18.1823 179.6672 126 D 4.1991 7.9662 116.4225 57.3946 40.9083 178.7582 127 A 3.8945 7.7061 120.8550 55.0525 18.3636 179.3118 128 Q 3.1027 7.7764 118.4227 58.8095 28.9996 178.6594 129 G 3.4786 8.0588 106.7003 47.6252 0.0000 175.5921 130 A 3.8432 7.8388 123.2135 55.0667 18.3998 179.4620 131 M 3.9935 8.1634 116.8898 58.6856 32.2599 177.9564 132 N 4.3261 8.4693 117.6828 56.5029 39.1223 176.8020 133 K 3.8372 8.0461 120.9059 59.3913 32.2546 178.7130 134 A 3.8261 7.9532 121.1086 55.0736 18.2203 179.6307 135 L 4.1300 8.1390 117.5141 57.7660 41.6123 179.5177 136 E 4.0056 8.5172 119.0672 58.9965 29.3721 179.0042 137 L 3.9396 8.0950 120.5426 58.0439 42.1686 178.6073 138 F 4.1772 8.2378 120.5455 61.6751 39.2859 177.3422 139 R 3.4780 8.1926 117.5153 58.8685 29.8942 179.0150 140 K 3.8368 8.2835 119.7943 59.6380 32.3412 178.7050 141 D 4.3357 8.1128 119.1572 57.3038 40.6564 178.8294 142 I 3.4693 7.5615 120.2631 64.0262 37.0280 178.2980 143 A 3.6544 7.8458 121.5314 55.0008 18.2431 179.5357 144 A 3.9587 7.8302 119.0468 55.2218 18.4225 180.0911 145 K 4.0030 7.9661 116.6702 59.6408 32.0421 178.9440 146 Y 4.4149 8.3008 117.3489 61.2030 37.8815 178.7964 147 K 3.9200 8.0806 119.9374 59.8309 32.1357 178.6400 148 E 4.0494 7.8734 116.6680 59.1181 29.4470 178.5950 149 L 4.3841 7.9092 116.7089 55.0237 41.9983 177.6454 150 G 3.9375 8.1359 107.4978 45.1994 0.0000 172.2708 151 Y 4.7377 7.7937 120.3122 55.1579 40.7288 175.4206 152 Q 3.7704 8.3347 128.6648 58.3230 29.5114 175.9897 153 G 3.8688 6.0475 109.3874 45.6223 0.0000 172.8710 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 V 8.05 4.08 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.32 0.00 1.06 0.87 0.61 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.89 4.60 0.00 4.04 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 4 E 8.83 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.10 3.64 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 0.00 0.00 0.00 6 E 7.94 3.93 0.00 1.86 1.73 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 2.22 2.25 0.00 7 W 8.17 4.32 0.00 3.59 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 8 Q 8.66 4.16 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.89 4.10 0.00 1.83 1.73 0.88 1.17 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 10 V 7.79 3.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.92 0.00 0.00 11 L 8.64 4.29 0.00 1.78 1.82 0.95 1.23 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 12 H 8.28 4.34 0.00 3.31 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.77 3.76 2.41 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 1.04 0.00 0.00 0.89 0.00 0.00 14 W 8.48 3.94 0.00 3.66 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 15 A 7.84 4.04 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 16 K 7.69 3.95 0.00 1.54 1.63 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 17 V 7.10 2.83 0.94 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 0.01 0.00 0.00 0.40 0.00 0.00 18 E 7.51 3.91 0.00 2.01 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 2.17 2.22 0.00 19 A 7.59 4.22 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 20 D 7.85 4.68 0.00 2.71 2.50 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 0.00 21 V 7.97 3.44 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 0.90 0.00 0.00 0.87 0.00 0.00 22 A 8.04 4.06 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 23 G 8.19 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.18 4.12 0.00 3.21 3.17 0.00 5.83 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 25 G 8.27 3.45 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 0.00 26 Q 7.95 4.08 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 27 D 7.80 4.34 0.00 2.70 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 28 I 7.56 3.58 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.53 0.00 0.00 29 W 7.72 4.26 0.00 3.36 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 30 I 7.93 3.87 1.89 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 1.47 0.98 0.93 0.00 0.00 31 R 8.07 3.79 0.00 1.95 2.09 0.00 3.04 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 L 7.97 3.93 0.00 1.76 1.68 1.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.36 4.60 0.00 3.11 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 34 K 7.90 4.09 0.00 1.80 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.63 7.81 35 S 7.99 4.29 0.00 3.78 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 36 H 8.35 4.78 0.00 3.00 2.79 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.15 2.13 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 38 E 8.23 4.09 0.00 2.30 2.29 0.00 0.00 0.00 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 2.49 0.00 39 T 8.12 3.88 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 0.90 0.00 0.00 40 L 7.96 3.84 0.00 1.33 1.75 -0.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.95 4.15 0.00 2.24 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 2.39 2.55 0.00 42 K 8.12 4.41 0.00 1.58 1.70 0.00 1.81 0.00 0.00 2.00 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.91 1.96 7.81 43 F 8.12 4.53 0.00 3.13 2.93 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 44 D 8.41 4.35 0.00 2.58 2.68 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 45 R 7.58 3.97 0.00 1.39 0.91 0.00 3.03 0.00 0.00 3.03 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.36 0.00 46 F 7.47 5.03 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.99 0.00 1.98 2.08 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.39 7.81 48 H 8.06 4.52 0.00 3.28 3.43 0.00 5.53 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 49 L 7.62 4.10 0.00 1.47 1.53 0.77 0.55 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 50 K 9.44 4.29 0.00 1.74 1.83 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.52 7.81 51 T 7.42 4.72 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 52 E 8.61 3.94 0.00 2.06 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 2.38 2.39 0.00 53 A 7.93 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 54 E 7.79 3.96 0.00 2.04 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 0.00 2.33 2.32 0.00 55 M 7.97 4.14 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 56 K 8.20 4.01 0.00 1.89 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 57 A 7.32 4.50 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 58 S 7.34 4.21 0.00 3.81 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 59 E 8.91 4.02 0.00 2.15 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 0.00 2.41 2.50 0.00 60 D 8.14 4.49 0.00 2.97 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 61 L 7.97 3.28 0.00 1.17 1.59 -0.59 0.38 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 62 K 7.89 4.00 0.00 1.97 2.02 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 63 K 8.24 4.03 0.00 2.13 1.95 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.75 7.81 64 H 8.74 4.52 0.00 3.63 3.58 0.00 5.79 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 65 G 8.67 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 66 V 7.78 3.62 2.31 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 1.05 0.00 0.00 0.99 0.00 0.00 67 T 7.90 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 68 V 7.97 3.62 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 0.99 0.00 0.00 1.27 0.00 0.00 69 L 8.09 4.19 0.00 1.74 1.81 0.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.15 4.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.05 4.01 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 72 L 8.13 3.75 0.00 1.60 1.72 0.24 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.57 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.00 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 75 I 7.34 3.79 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.90 0.00 0.00 76 L 7.69 3.98 0.00 1.23 1.55 -0.16 0.63 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 77 K 7.62 4.00 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.78 3.96 0.00 1.91 1.79 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.75 7.81 79 K 8.17 2.00 0.00 1.27 0.74 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.47 1.01 7.81 80 G 7.97 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 H 7.52 5.06 0.00 3.19 3.21 0.00 5.57 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 82 H 7.21 5.29 0.00 3.29 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.63 3.97 0.00 2.10 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 2.43 2.49 0.00 84 A 7.97 4.04 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 85 E 8.16 4.11 0.00 2.26 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 0.00 2.40 2.47 0.00 86 L 8.20 4.23 0.00 1.87 1.71 0.85 0.75 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 87 K 7.80 3.98 0.00 1.83 1.89 0.00 1.69 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 1.49 1.69 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.55 4.03 0.00 1.91 1.92 1.03 1.41 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 90 A 8.47 4.19 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 91 Q 8.28 3.89 0.00 2.17 2.13 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 2.33 2.34 0.00 92 S 8.12 4.00 0.00 4.04 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 93 H 8.56 4.22 0.00 3.60 3.63 0.00 5.80 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 94 A 7.60 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.58 3.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 96 K 7.46 4.07 0.00 1.55 1.66 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.35 7.81 97 H 8.00 4.28 0.00 3.04 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.23 0.00 1.77 1.69 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.23 7.81 99 I 8.23 4.31 2.13 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 1.57 1.00 1.17 0.00 0.00 100 P 0.00 4.64 0.00 2.02 2.03 0.00 3.19 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 1.10 1.17 0.00 101 I 8.34 3.68 1.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.81 0.00 0.00 102 K 7.94 3.69 0.00 1.70 1.71 0.00 1.76 0.00 0.00 2.00 0.00 0.00 3.50 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.64 1.26 7.81 103 Y 8.06 4.27 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.88 4.29 0.00 1.86 1.80 0.74 1.20 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 0.00 105 E 7.91 4.04 0.00 2.05 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 0.00 2.31 2.45 0.00 106 F 7.79 4.54 0.00 3.25 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 0.00 107 I 8.15 3.90 2.06 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 1.50 1.34 1.10 0.00 0.00 108 S 7.94 4.20 0.00 4.15 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 0.00 109 E 8.42 4.02 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 110 A 8.02 4.02 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 0.00 111 I 7.87 3.62 2.06 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 1.49 0.97 0.99 0.00 0.00 112 I 7.78 3.82 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.16 1.14 0.00 0.00 113 H 8.29 4.12 0.00 3.32 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.85 3.56 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 0.86 0.00 0.00 0.95 0.00 0.00 115 L 7.79 3.75 0.00 0.61 0.55 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.78 4.27 0.00 3.45 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.18 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.81 4.14 0.00 1.53 1.58 0.00 3.09 0.00 0.00 2.94 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 119 H 8.19 5.03 0.00 3.17 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.24 0.00 2.19 2.26 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.13 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 0.00 122 N 8.29 5.06 0.00 2.72 2.83 0.00 0.00 6.66 7.27 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 0.00 123 F 7.86 4.85 0.00 2.93 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 0.00 124 G 7.59 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 0.00 125 A 8.46 3.90 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 0.00 126 D 7.97 4.20 0.00 2.64 2.67 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 0.00 127 A 7.71 3.89 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 0.00 128 Q 7.78 3.10 0.00 1.34 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 129 G 8.06 3.48 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 0.00 0.00 0.00 130 A 7.84 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 3.99 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.89 0.00 132 N 8.47 4.33 0.00 2.91 2.91 0.00 0.00 6.84 7.60 0.00 0.00 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 K 8.05 3.84 0.00 1.90 1.76 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.36 7.81 134 A 7.95 3.83 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 0.00 135 L 8.14 4.13 0.00 1.76 1.81 0.98 0.70 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 0.00 136 E 8.52 4.01 0.00 2.12 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 0.00 2.34 2.59 0.00 137 L 8.10 3.94 0.00 1.87 1.96 0.98 0.99 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 0.00 138 F 8.24 4.18 0.00 3.13 3.27 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 0.00 139 R 8.19 3.48 0.00 1.98 1.84 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 140 K 8.28 3.84 0.00 1.83 1.98 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.11 4.34 0.00 2.70 2.68 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 0.00 142 I 7.56 3.47 1.34 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.20 0.00 0.00 143 A 7.85 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.83 3.96 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 0.00 145 K 7.97 4.00 0.00 2.13 1.96 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.56 7.81 146 Y 8.30 4.41 0.00 3.21 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 0.00 147 K 8.08 3.92 0.00 1.88 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.87 4.05 0.00 2.20 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 2.36 2.51 0.00 149 L 7.91 4.38 0.00 1.81 1.71 0.99 0.89 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 0.00 150 G 8.14 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 0.00 151 Y 7.79 4.74 0.00 2.58 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 0.00 152 Q 8.33 3.77 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 153 G 6.05 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 0.00 0.00 0.00