NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1213 8.0549 120.3118 61.4250 32.7659 174.5034 2 L 4.2116 8.0930 120.6584 51.7087 42.9597 176.0334 3 S 4.5230 8.9388 118.1052 57.7057 66.2835 174.9080 4 E 4.2697 8.7651 121.9289 59.3646 29.2140 178.7170 5 G 3.6678 8.1260 105.4079 47.9185 0.0000 175.3939 6 E 3.9590 8.0008 120.4419 58.9178 29.4364 179.4480 7 W 4.3751 8.3223 119.0801 59.8471 29.0534 178.6435 8 Q 4.1841 8.5480 118.2956 58.7944 27.9640 178.7060 9 L 4.0526 7.7966 120.2548 57.6898 41.6726 179.6519 10 V 3.7237 7.8785 118.0937 66.3078 31.6310 178.2358 11 L 4.2791 8.6020 118.8650 57.6736 41.1734 179.0956 12 H 4.2471 8.2040 118.1071 59.2233 30.1685 177.1635 13 V 3.6956 7.8246 120.1674 65.6634 31.3184 177.7207 14 W 3.9011 8.4770 128.0302 60.4043 30.2761 177.7455 15 A 3.9937 8.0030 119.8304 54.9609 18.1184 179.4693 16 K 3.9710 7.8518 117.2908 59.3913 32.1367 179.6904 17 V 2.8967 7.0382 118.0405 65.6445 31.1303 177.5622 18 E 3.8975 7.7185 116.5852 58.2675 29.3222 178.3869 19 A 4.1797 7.3768 119.5022 53.3429 19.6149 177.2851 20 D 4.5732 7.7494 114.0526 52.3567 43.6798 175.9123 21 V 3.4234 7.6622 123.8441 65.7947 32.0394 176.5483 22 A 4.0429 8.0509 120.0969 55.2517 18.2599 179.6852 23 G 3.5578 8.0517 104.8241 47.7737 0.0000 175.4911 24 H 4.1467 8.2800 119.1274 58.3286 28.7670 178.1842 25 G 3.5558 8.5478 107.9529 47.6837 0.0000 175.4428 26 Q 3.8236 8.2431 122.3733 59.1134 29.1648 178.0367 27 D 4.3089 7.8730 119.6806 57.5253 40.7413 179.1006 28 I 3.6952 7.6918 120.1989 64.2738 37.0166 178.5547 29 L 3.4338 7.5421 119.3820 57.4800 41.3172 179.5781 30 I 3.5200 7.4778 119.7879 64.1905 37.0080 178.4140 31 R 3.7975 7.8625 119.5574 59.1787 29.8938 178.2539 32 L 3.9401 7.9331 120.2522 58.4275 42.0119 179.1075 33 F 4.6193 8.5603 118.0355 60.3655 38.5129 177.9268 34 K 4.0277 8.0637 117.6420 59.4769 32.1152 179.3017 35 S 4.2860 7.9532 114.2641 60.3901 63.9361 174.4147 36 H 4.6754 8.0121 118.5885 52.0984 29.1715 171.9623 37 P 4.6420 0.0000 0.0000 64.2417 31.1834 177.4507 38 E 4.0836 8.1932 116.4736 59.1903 29.6382 179.0416 39 T 3.7414 8.2319 111.7127 64.5388 68.9483 176.3220 40 L 3.5977 7.7440 122.9618 57.5654 41.7435 178.3896 41 E 4.0930 7.7856 118.1879 58.5346 29.6050 178.1696 42 K 4.4120 8.0113 116.7664 56.7898 32.6710 176.5887 43 F 4.6419 7.8827 118.6453 55.4171 39.4569 175.9135 44 D 4.4333 8.5785 127.4795 57.0803 40.8424 178.9758 45 R 4.1601 7.7649 113.2362 57.4216 29.9960 176.6446 46 F 5.1508 7.9854 116.3952 56.8459 40.4582 176.6668 47 K 4.1395 7.8299 119.3337 59.0965 32.3186 177.4270 48 H 4.5330 8.1643 113.7561 56.1145 29.2160 174.8782 49 L 4.4333 7.5802 121.7963 54.0033 41.9871 176.3101 50 K 4.3833 9.5000 123.9251 56.7488 34.1109 176.9969 51 T 4.6870 7.5456 107.6613 59.1387 72.8837 174.4830 52 E 3.8640 8.5756 121.3966 59.4219 29.4502 178.7140 53 A 3.9888 7.8832 119.2785 55.2906 18.7326 179.0132 54 E 4.0662 8.3404 117.1691 59.5952 29.3636 179.4514 55 M 3.9803 8.1821 118.8594 58.4533 31.8802 179.0405 56 K 3.9599 8.5259 116.9416 58.6194 32.2480 178.2890 57 A 4.5382 7.3864 118.6336 51.3189 19.5780 176.9337 58 S 4.2692 7.4454 114.0675 57.5785 62.6820 174.4280 59 E 4.0414 8.8567 129.3196 59.1870 29.5166 177.9062 60 D 4.4164 8.1703 117.9005 57.0285 41.3911 177.7644 61 L 3.7792 8.1437 121.0183 57.8776 42.0634 178.5920 62 K 3.7947 7.8304 119.1006 59.7699 32.0171 178.5063 63 K 3.9213 8.3002 118.5960 60.1795 31.9902 179.0372 64 H 4.3630 8.6042 116.3062 58.4616 28.5780 178.1433 65 G 3.5621 8.1211 107.9378 47.8642 0.0000 176.0271 66 V 3.6773 7.8712 120.8993 65.7926 31.4996 178.3246 67 T 3.9141 7.6952 115.4949 66.4870 68.3149 176.9029 68 V 3.6671 7.8771 120.1540 66.1550 31.5690 178.1918 69 L 4.3177 8.0424 118.7644 57.9698 41.4749 179.7249 70 T 3.9420 8.1650 115.6653 66.6013 68.3011 176.6391 71 A 4.0043 7.8902 122.2325 55.0666 18.3565 179.4497 72 L 3.7489 8.1309 119.0570 58.1171 42.1224 179.3790 73 G 3.3625 8.5626 105.8110 47.7112 0.0000 175.5057 74 A 4.0252 7.7116 121.9680 54.7773 18.6161 179.6911 75 I 3.7826 7.3050 118.3356 64.5537 37.2979 178.4624 76 L 3.8961 7.6877 119.8512 57.8705 41.4689 179.3061 77 K 4.1070 7.6791 114.7805 57.5152 32.0552 177.6300 78 K 4.0581 7.8566 118.5751 55.5486 33.0776 176.2173 79 K 2.0000 8.1719 118.3366 56.4797 29.6850 174.7804 80 G 3.9781 7.8227 105.6604 45.7156 0.0000 173.4532 81 H 4.7865 7.8982 118.7187 54.2585 27.4053 174.7641 82 H 5.3597 7.1136 110.9428 54.5404 29.5485 177.1558 83 E 3.9938 8.5393 121.5329 60.6198 29.0387 178.9209 84 A 4.0447 7.9403 118.4431 54.8202 18.8602 178.8029 85 E 4.1878 8.1015 116.6015 58.7593 29.8143 178.5105 86 L 4.0445 8.1087 120.5254 57.3700 42.1552 178.6612 87 K 3.8966 7.9023 119.3194 59.2782 32.2092 177.1242 88 P 4.3167 0.0000 0.0000 65.1026 31.2194 178.5352 89 L 3.9434 7.4533 116.8349 58.1187 42.0448 178.7533 90 A 4.1719 8.2177 120.8945 55.3735 18.4668 179.6043 91 Q 3.8029 8.0820 116.7383 59.0628 28.8226 179.2980 92 S 4.0114 8.0551 115.2792 61.8697 63.0717 176.2942 93 H 4.3133 8.4972 119.7022 58.0171 28.3200 177.6874 94 A 3.1164 7.8734 123.2572 54.8368 17.9675 179.5616 95 T 3.7812 6.8380 107.3027 62.8938 69.3536 175.3918 96 K 4.1398 7.4264 119.4076 58.3486 33.2897 177.3262 97 H 4.2584 8.5017 117.9648 56.4915 29.6536 175.7790 98 K 4.0163 7.5200 116.8621 56.2319 28.6969 175.2804 99 I 4.2094 8.4319 118.7998 58.8113 38.6588 175.1189 100 P 4.6441 0.0000 0.0000 62.1123 32.1298 177.4760 101 I 3.4196 8.4010 122.6184 64.5890 36.8776 178.5592 102 K 3.6024 7.9146 119.7355 59.8751 31.7910 178.1538 103 Y 4.0825 7.8549 116.5465 60.6069 37.7741 178.0762 104 L 4.1476 7.9674 120.3991 57.4311 41.7911 178.9641 105 E 3.9717 7.8858 119.0312 59.1739 29.6730 178.6132 106 F 4.5501 7.9577 117.8745 60.9358 39.0478 177.5991 107 I 3.8456 8.2594 118.2188 64.0116 37.7456 177.9626 108 S 4.2273 8.3179 116.2964 61.8403 62.6500 176.5971 109 E 4.0958 8.3218 120.4570 59.3048 29.1625 179.2813 110 A 4.0365 8.1618 120.9587 55.0560 18.4027 179.8240 111 I 3.6750 7.9143 118.3771 64.6453 37.3292 178.7308 112 I 3.7925 7.8825 120.6493 64.5360 36.7208 177.8373 113 H 4.0993 8.2380 118.0842 59.3597 29.9842 177.1273 114 V 3.6367 7.7616 119.7781 66.0453 31.4315 177.7559 115 L 3.7870 7.8110 118.6973 58.2113 41.0894 179.1567 116 H 4.3956 7.7846 116.5017 59.2020 29.8431 177.1863 117 S 4.2530 7.7876 116.5014 60.4291 62.8296 175.6434 118 R 4.3687 7.6801 117.3996 56.0053 32.0873 175.8739 119 H 4.9302 8.0397 116.6226 53.6724 29.8066 172.9465 120 P 4.1992 0.0000 0.0000 65.5659 31.8765 178.7507 121 G 3.6944 8.1951 107.3421 48.5678 0.0000 174.2164 122 D 4.7321 8.0860 116.6951 54.1903 41.7190 176.4481 123 F 4.9127 7.7632 121.0019 56.2739 39.1105 174.1993 124 G 3.8974 7.5396 111.3848 43.2837 0.0000 171.4321 125 A 3.9158 8.4190 121.2170 55.3169 18.2484 179.5523 126 D 4.1807 7.9352 116.7534 56.5661 39.5216 178.5234 127 A 3.9741 7.6954 121.6974 54.5960 18.4531 179.2383 128 Q 3.3966 7.9931 118.8564 58.9325 29.0244 178.6555 129 G 3.4898 8.1811 106.8117 47.6146 0.0000 175.6276 130 A 3.8341 7.7962 123.0077 54.9943 18.4386 179.3058 131 M 4.0210 8.2031 116.8200 58.8458 32.3209 178.1342 132 N 4.3578 8.3368 116.5340 56.4670 38.7885 177.4624 133 K 3.8833 7.9607 119.5116 59.3544 32.1819 179.2874 134 A 3.8455 7.9461 120.9307 55.2390 18.3451 179.7909 135 L 4.1237 8.0704 117.3948 57.7839 41.5677 179.6121 136 E 4.0386 8.4106 118.9577 59.0190 29.2719 178.9824 137 L 3.9545 7.9820 120.5251 58.0784 42.2266 178.5837 138 F 4.1567 8.1791 120.2472 61.7101 39.2038 177.3944 139 R 3.5076 8.0384 117.4350 58.7823 29.6550 179.0662 140 K 3.8481 8.2064 119.6696 59.6638 32.2818 178.7122 141 D 4.3570 8.3694 119.5206 57.2813 40.5830 178.9665 142 I 3.6452 7.5385 120.1616 64.2412 36.9947 178.0893 143 A 3.6392 7.9302 121.6122 55.2632 18.0352 179.5746 144 A 3.9687 7.7647 119.2186 55.0541 18.5692 180.0679 145 K 4.0324 7.6991 115.8587 59.7054 32.0586 179.2034 146 Y 4.0457 8.5399 117.4546 60.9820 37.8134 178.4826 147 K 4.0042 8.5201 120.8577 59.5391 32.0585 178.3498 148 E 3.9731 7.8842 118.1893 59.2294 29.6907 178.2499 149 L 4.3715 7.7119 116.3219 55.5051 41.8752 177.7633 150 G 3.8662 8.1436 107.3984 45.6388 0.0000 173.6868 151 Y 4.4078 8.0120 115.9166 57.6309 39.5876 175.1365 152 Q 3.6496 7.6464 120.6279 58.1232 28.4719 177.0898 153 G 4.0232 9.0971 114.4055 45.7228 0.0000 172.1619 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 4.12 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 0.94 0.00 0.00 1.05 0.00 0.00 2 L 8.09 4.21 0.00 0.60 0.59 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.94 4.52 0.00 4.04 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 4 E 8.77 4.27 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 5 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.00 3.96 0.00 2.09 1.71 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 2.21 2.26 0.00 7 W 8.32 4.38 0.00 3.54 3.14 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 8 Q 8.55 4.18 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 9 L 7.80 4.05 0.00 1.88 1.75 0.93 0.78 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 10 V 7.88 3.72 2.45 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 1.19 0.00 0.00 0.87 0.00 0.00 11 L 8.60 4.28 0.00 1.90 1.81 0.93 0.90 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 12 H 8.20 4.25 0.00 3.29 3.59 0.00 5.95 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 13 V 7.82 3.70 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 0.80 0.00 0.00 1.35 0.00 0.00 14 W 8.48 3.90 0.00 3.65 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 15 A 8.00 3.99 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 16 K 7.85 3.97 0.00 1.58 1.66 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.45 7.81 17 V 7.04 2.90 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 0.02 0.00 0.00 0.22 0.00 0.00 18 E 7.72 3.90 0.00 2.02 1.94 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 2.19 2.35 0.00 19 A 7.38 4.18 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 7.75 4.57 0.00 2.65 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 21 V 7.66 3.42 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 0.86 0.00 0.00 0.82 0.00 0.00 22 A 8.05 4.04 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 23 G 8.05 3.56 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 0.00 0.00 0.00 24 H 8.28 4.15 0.00 3.31 3.21 0.00 5.82 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 8.55 3.56 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 0.00 0.00 0.00 26 Q 8.24 3.82 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 27 D 7.87 4.31 0.00 2.82 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 28 I 7.69 3.70 1.82 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 1.66 0.68 0.89 0.00 0.00 29 L 7.54 3.43 0.00 1.29 0.74 0.72 0.50 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 30 I 7.48 3.52 1.83 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 1.34 0.50 0.86 0.00 0.00 31 R 7.86 3.80 0.00 1.94 2.08 0.00 3.07 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 32 L 7.93 3.94 0.00 1.77 1.46 1.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.56 4.62 0.00 3.15 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 34 K 8.06 4.03 0.00 1.74 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.67 7.81 35 S 7.95 4.29 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.68 0.00 2.99 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.64 0.00 2.15 2.09 0.00 3.81 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 2.09 1.97 0.00 38 E 8.19 4.08 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 39 T 8.23 3.74 4.41 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 0.87 0.00 0.00 40 L 7.74 3.60 0.00 1.21 1.71 0.14 0.60 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 41 E 7.79 4.09 0.00 2.14 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 2.37 2.43 0.00 42 K 8.01 4.41 0.00 1.81 1.57 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.87 7.81 43 F 7.88 4.64 0.00 3.30 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.58 4.43 0.00 2.68 2.71 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 45 R 7.76 4.16 0.00 1.62 1.85 0.00 2.23 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 46 F 7.99 5.15 0.00 2.97 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 47 K 7.83 4.14 0.00 1.94 2.15 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.43 7.81 48 H 8.16 4.53 0.00 3.31 3.46 0.00 5.52 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 49 L 7.58 4.43 0.00 1.63 1.57 0.84 0.86 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 50 K 9.50 4.38 0.00 1.66 1.82 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.51 7.81 51 T 7.55 4.69 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 8.58 3.86 0.00 2.03 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 2.35 2.35 0.00 53 A 7.88 3.99 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 54 E 8.34 4.07 0.00 2.18 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 2.34 0.00 55 M 8.18 3.98 0.00 2.01 2.24 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 2.66 2.55 0.00 56 K 8.53 3.96 0.00 1.73 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.39 4.54 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 58 S 7.45 4.27 0.00 3.83 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 59 E 8.86 4.04 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 60 D 8.17 4.42 0.00 2.92 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 61 L 8.14 3.78 0.00 1.50 1.67 0.09 0.21 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 62 K 7.83 3.79 0.00 1.88 2.03 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.30 3.92 0.00 2.16 1.91 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 64 H 8.60 4.36 0.00 3.60 3.56 0.00 5.62 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 8.12 3.56 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 0.00 0.00 0.00 66 V 7.87 3.68 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 1.03 0.00 0.00 0.99 0.00 0.00 67 T 7.70 3.91 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 1.27 0.00 0.00 68 V 7.88 3.67 2.15 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 1.13 0.00 0.00 1.15 0.00 0.00 69 L 8.04 4.32 0.00 1.79 1.77 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.17 3.94 4.53 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 1.25 0.00 0.00 71 A 7.89 4.00 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 72 L 8.13 3.75 0.00 1.80 1.68 0.13 0.69 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 8.56 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 0.00 0.00 0.00 74 A 7.71 4.03 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 7.31 3.78 1.82 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 1.54 0.69 0.85 0.00 0.00 76 L 7.69 3.90 0.00 1.32 1.49 -0.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 4.11 0.00 1.69 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 78 K 7.86 4.06 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.51 7.81 79 K 8.17 2.00 0.00 1.23 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.77 7.81 80 G 7.82 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 0.00 0.00 0.00 81 H 7.90 4.79 0.00 3.03 3.23 0.00 5.58 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 7.11 5.36 0.00 3.30 3.45 0.00 5.66 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 83 E 8.54 3.99 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 84 A 7.94 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 8.10 4.19 0.00 2.10 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 2.38 2.42 0.00 86 L 8.11 4.04 0.00 1.86 1.74 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.90 3.90 0.00 2.02 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 88 P 0.00 4.32 0.00 2.23 2.10 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 L 7.45 3.94 0.00 1.84 1.91 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.17 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 91 Q 8.08 3.80 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 92 S 8.06 4.01 0.00 3.99 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 0.00 93 H 8.50 4.31 0.00 3.52 3.56 0.00 5.81 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 7.87 3.12 -0.12 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 0.00 0.00 95 T 6.84 3.78 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 96 K 7.43 4.14 0.00 1.60 1.30 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.26 7.81 97 H 8.50 4.26 0.00 2.94 3.18 0.00 5.81 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 7.52 4.02 0.00 1.86 1.82 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 99 I 8.43 4.21 2.03 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 0.96 1.08 0.00 0.00 100 P 0.00 4.64 0.00 1.83 1.78 0.00 2.52 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.69 0.00 101 I 8.40 3.42 1.73 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.72 0.00 0.00 102 K 7.91 3.60 0.00 1.71 1.63 0.00 1.43 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 0.54 7.81 103 Y 7.85 4.08 0.00 3.12 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 0.00 104 L 7.97 4.15 0.00 1.78 1.75 0.62 0.71 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 0.00 105 E 7.89 3.97 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 106 F 7.96 4.55 0.00 3.28 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 0.00 107 I 8.26 3.85 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 1.09 0.00 0.00 108 S 8.32 4.23 0.00 4.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.10 0.00 2.29 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 2.68 2.60 0.00 110 A 8.16 4.04 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 0.00 111 I 7.91 3.67 2.12 0.00 0.00 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 1.61 0.98 1.06 0.00 0.00 112 I 7.88 3.79 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.07 1.11 0.00 0.00 113 H 8.24 4.10 0.00 3.22 3.54 0.00 5.95 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 0.00 114 V 7.76 3.64 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 0.87 0.00 0.00 0.95 0.00 0.00 115 L 7.81 3.79 0.00 0.85 0.56 0.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.78 4.40 0.00 3.47 3.51 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.79 4.25 0.00 3.97 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 0.00 118 R 7.68 4.37 0.00 1.53 1.63 0.00 3.13 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.67 0.00 119 H 8.04 4.93 0.00 3.24 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.77 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 4.20 0.00 2.15 2.11 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 121 G 8.20 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.09 4.73 0.00 2.76 2.85 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 0.00 123 F 7.76 4.91 0.00 2.93 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 0.00 124 G 7.54 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.42 3.92 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 0.00 126 D 7.94 4.18 0.00 2.86 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 0.00 127 A 7.70 3.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.99 3.40 0.00 1.45 1.96 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 2.29 2.34 0.00 129 G 8.18 3.49 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 0.00 130 A 7.80 3.83 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 0.00 131 M 8.20 4.02 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 N 8.34 4.36 0.00 3.09 2.85 0.00 0.00 7.05 7.08 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 0.00 133 K 7.96 3.88 0.00 1.94 1.66 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 134 A 7.95 3.85 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 0.00 135 L 8.07 4.12 0.00 1.91 1.82 1.00 0.61 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 0.00 136 E 8.41 4.04 0.00 2.18 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 2.34 2.54 0.00 137 L 7.98 3.95 0.00 1.93 2.00 0.99 1.18 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 0.00 138 F 8.18 4.16 0.00 3.06 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 0.00 139 R 8.04 3.51 0.00 2.03 1.83 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 140 K 8.21 3.85 0.00 1.95 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.37 4.36 0.00 2.72 2.73 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 0.00 142 I 7.54 3.65 1.30 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.08 0.37 0.00 0.00 143 A 7.93 3.64 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 0.00 144 A 7.76 3.97 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 0.00 145 K 7.70 4.03 0.00 2.12 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.64 7.81 146 Y 8.54 4.05 0.00 3.00 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 0.00 147 K 8.52 4.00 0.00 1.96 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.88 3.97 0.00 2.03 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 0.00 2.35 2.37 0.00 149 L 7.71 4.37 0.00 1.98 1.98 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.14 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 0.00 151 Y 8.01 4.41 0.00 2.79 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 0.00 152 Q 7.65 3.65 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 153 G 9.10 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00