NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3097 0.0000 0.0000 61.9100 32.5751 175.7691 3 K 3.9379 8.6123 121.3564 55.5612 32.4763 175.1086 4 K 3.9558 9.1233 127.5529 57.2083 33.8177 175.1522 5 V 5.0415 8.2786 124.1344 61.2261 34.4812 174.3083 6 L 4.9840 8.8815 126.2459 53.0503 46.3912 175.6248 7 T 5.3512 7.7577 109.6306 59.3132 71.3953 173.0393 8 G 4.1982 8.3730 112.5910 45.1993 0.0000 170.3713 9 V 4.8999 8.1517 112.2709 59.4027 34.5275 176.1133 10 V 4.2877 8.7611 125.1184 62.9517 32.1523 176.4471 11 V 4.4394 8.5181 120.6316 60.9066 33.0482 175.6315 12 S 4.6764 7.5968 114.5095 57.4842 65.5863 174.5484 13 D 4.9746 8.6718 123.8960 52.9340 40.2998 176.7072 14 K 4.4247 7.7842 115.9671 57.6245 31.7115 176.4802 15 M 4.8178 7.4442 118.4679 53.1706 34.8793 175.4882 16 Q 4.0487 8.5104 120.5947 56.6533 29.2702 177.0380 17 K 4.7309 8.8785 120.1456 56.8567 30.0268 174.8128 18 T 5.2271 7.2805 113.1648 62.1276 72.2472 173.7377 19 V 5.0232 8.1241 113.9360 61.0326 36.7470 173.7876 20 T 4.6624 8.5409 121.1748 62.8628 70.4752 173.9795 21 V 4.7457 8.6738 125.4553 60.7819 34.5685 174.1178 22 L 4.3939 8.5717 131.8461 54.8733 43.1965 175.7060 23 V 4.3200 8.9397 127.0605 60.9995 33.4206 174.7513 24 E 4.6297 8.7452 127.4536 56.6077 30.6442 176.3413 25 R 4.7428 8.5908 116.1232 55.6438 33.0979 173.6936 26 Q 5.2346 8.3256 118.5653 54.0641 32.9834 174.4410 27 F 4.7593 8.1448 113.5795 55.8549 41.4752 171.5155 28 P 4.8692 0.0000 0.0000 62.5178 32.1325 175.9568 29 H 4.3239 9.2610 125.8737 55.4117 30.1776 174.2330 30 P 4.4145 0.0000 0.0000 64.9416 31.1036 176.2694 31 L 4.4910 7.8347 116.2088 55.4960 45.3721 175.7817 32 Y 4.7422 8.1246 113.2721 56.7129 37.7461 175.1405 33 G 3.8447 6.7523 108.5400 44.4103 0.0000 174.1351 34 K 4.9504 7.0491 124.3210 51.6448 31.9810 175.2530 35 V 3.8962 8.4670 127.6790 63.3650 31.9146 175.0957 36 I 4.5042 8.6609 121.2678 59.0552 40.7047 174.5088 37 K 5.0091 7.8924 121.4325 55.1329 35.3577 174.9461 38 R 4.6413 8.3876 120.3192 56.2751 34.2067 173.0400 39 S 5.1810 8.5297 115.9575 57.1455 66.6525 172.8480 40 K 4.5528 8.6211 120.3020 54.9378 35.7560 174.5597 41 K 5.0245 8.3428 125.2251 55.0337 34.0776 175.2570 42 Y 4.7132 8.6770 121.0979 56.1297 41.8402 174.7030 43 L 5.0090 8.6325 122.1075 53.5359 43.5969 175.5812 44 A 4.9167 8.8556 126.6466 50.9387 21.7639 175.4681 45 H 4.5565 9.1957 120.8440 55.5252 31.1013 173.7323 46 D 5.0818 9.0845 128.5115 51.4430 40.9163 174.8724 47 P 4.3939 0.0000 0.0000 64.2268 31.4729 177.3110 48 E 4.6362 8.2647 117.0958 56.2100 31.2444 175.1976 49 E 3.9504 8.1741 116.0424 57.6107 27.0915 175.6553 50 K 4.5297 8.6074 114.3742 56.8767 33.2515 176.5075 51 Y 4.6932 8.0073 117.5446 55.4548 37.6374 175.1022 52 K 4.0133 8.0170 123.1273 56.2564 33.4550 177.1107 53 L 3.9942 8.1186 120.9403 56.1262 42.7210 176.7232 54 G 4.0850 8.7834 111.5015 45.3014 0.0000 173.6091 55 D 4.9356 7.6639 118.9126 54.4160 42.4292 176.0436 56 V 4.5650 8.8894 122.8476 61.5747 33.0697 175.0206 57 V 4.8158 8.3412 120.9060 59.7089 35.0988 174.2989 58 E 5.1825 8.7440 120.7770 54.9576 31.6568 175.8929 59 I 4.9744 9.0399 125.2996 59.5134 40.5267 174.3214 60 I 4.9986 8.3155 123.1890 58.8481 41.3452 173.1537 61 E 2.7821 9.3300 130.9003 57.0795 29.8273 175.8436 62 S 4.7456 7.3399 121.9402 55.8682 66.3701 174.2425 63 R 3.9532 8.3033 120.5588 55.5012 30.3619 174.3030 64 P 4.4501 0.0000 0.0000 63.2086 31.7195 176.3206 65 I 4.2724 8.1000 122.5721 60.8672 39.1191 175.3311 66 S 4.5129 7.4068 111.8486 57.8311 64.8983 175.9321 67 K 3.9962 7.9290 121.2844 56.9670 32.4993 178.0916 68 R 3.5374 8.7887 118.6769 58.2579 29.5023 177.3587 69 K 4.6024 9.9055 117.8737 56.1708 30.9431 176.9829 70 R 4.9033 8.3648 126.2555 55.0498 32.1180 175.0441 71 F 5.1685 8.0694 116.0298 57.0690 43.8287 173.8923 72 R 4.9568 8.6744 122.2158 54.4980 32.9017 175.5320 73 V 3.5857 7.7512 122.8332 64.0014 31.5843 174.1971 74 L 4.1300 9.6037 133.6051 56.3328 41.5425 177.4120 75 R 4.9539 8.6543 111.2738 54.2188 34.4759 175.3637 76 L 4.7532 8.6055 121.5757 54.8034 42.5658 176.1343 77 V 4.3240 8.2190 124.9631 63.9641 33.4339 175.9079 78 E 4.8236 7.5716 114.0868 55.6014 32.0394 175.1485 79 S 4.7428 9.4792 118.6354 56.6607 63.9670 172.7169 80 G 3.5445 8.2259 118.6870 46.4226 0.0000 174.1161 81 R 4.8591 7.9322 115.5551 54.5217 30.0258 178.1943 82 M 4.2431 7.7493 118.7940 57.8301 32.2222 178.2188 83 D 4.3897 8.0578 119.6339 56.3320 39.4725 178.5541 84 L 4.0136 7.9810 120.3672 57.5927 41.8229 179.4507 85 V 3.7961 7.9258 117.3561 65.6510 31.2569 177.8201 86 E 3.9615 7.9134 118.2250 59.5369 29.6821 178.8515 87 K 4.0752 7.8038 118.1154 60.3363 32.0475 177.1964 88 Y 4.5406 8.1748 119.5255 58.5351 38.7696 176.7642 89 L 3.4112 8.3402 119.2166 58.0176 42.1495 180.1302 90 I 3.5720 8.1937 119.6522 64.4474 36.9311 178.2683 91 R 3.7196 7.1251 117.0960 59.5012 29.8711 178.1367 92 R 3.3917 8.0203 118.6752 59.2036 29.5448 178.3533 93 Q 3.8842 7.8802 119.3370 59.0058 29.0841 177.6397 94 N 4.3175 8.0192 117.3384 55.7617 38.3411 176.5990 95 Y 4.3867 7.2232 118.8732 61.4495 36.4305 178.2124 96 E 4.0147 7.9468 118.4742 59.7021 29.2738 179.2009 97 S 4.6108 7.7350 111.5505 58.8220 62.5183 174.7577 98 L 4.6639 8.1339 121.7460 55.6643 44.3946 177.8717 99 S 4.5706 7.0082 109.2782 58.5148 62.2956 174.6174 100 K 4.1181 8.3616 118.8139 57.5595 32.8252 175.5284 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 2 P 0.00 4.31 0.00 2.19 2.12 0.00 3.74 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 1.88 1.99 0.00 3 K 8.61 3.94 0.00 1.73 1.92 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 4 K 9.12 3.96 0.00 1.94 1.79 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 V 8.28 5.04 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 0.89 0.00 0.00 1.02 0.00 0.00 6 L 8.88 4.98 0.00 1.16 1.21 -0.24 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.76 5.35 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 1.22 0.00 0.00 8 G 8.37 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 0.00 0.00 0.00 0.00 9 V 8.15 4.90 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 0.75 0.00 0.00 0.90 0.00 0.00 10 V 8.76 4.29 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 1.02 0.00 0.00 1.06 0.00 0.00 11 V 8.52 4.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.81 0.00 0.00 12 S 7.60 4.68 0.00 3.92 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 13 D 8.67 4.97 0.00 2.84 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 14 K 7.78 4.42 0.00 1.92 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.44 4.82 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 16 Q 8.51 4.05 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.12 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 17 K 8.88 4.73 0.00 2.00 1.94 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 18 T 7.28 5.23 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 19 V 8.12 5.02 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 1.05 0.00 0.00 0.86 0.00 0.00 20 T 8.54 4.66 4.24 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 1.16 0.00 0.00 21 V 8.67 4.75 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 0.90 0.00 0.00 0.87 0.00 0.00 22 L 8.57 4.39 0.00 1.48 1.36 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.94 4.32 2.24 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 0.88 0.00 0.00 0.94 0.00 0.00 24 E 8.75 4.63 0.00 1.90 1.88 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 2.32 2.31 0.00 25 R 8.59 4.74 0.00 1.95 2.04 0.00 2.89 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 26 Q 8.33 5.23 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 27 F 8.14 4.76 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.87 0.00 2.06 2.10 0.00 3.89 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 2.10 2.15 0.00 29 H 9.26 4.32 0.00 3.19 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.14 2.15 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 31 L 7.83 4.49 0.00 1.32 1.20 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.12 4.74 0.00 2.72 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 33 G 6.75 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 0.00 0.00 0.00 34 K 7.05 4.95 0.00 1.83 1.88 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.47 7.81 35 V 8.47 3.90 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 0.81 0.00 0.00 0.94 0.00 0.00 36 I 8.66 4.50 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.29 0.87 0.00 0.00 37 K 7.89 5.01 0.00 1.59 1.72 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.34 7.81 38 R 8.39 4.64 0.00 2.00 1.87 0.00 3.28 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 S 8.53 5.18 0.00 3.85 3.79 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 40 K 8.62 4.55 0.00 1.68 1.60 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.00 7.81 41 K 8.34 5.02 0.00 1.54 1.60 0.00 1.60 0.00 0.00 1.34 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.30 7.81 42 Y 8.68 4.71 0.00 2.66 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 43 L 8.63 5.01 0.00 1.66 1.65 0.94 0.84 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 44 A 8.86 4.92 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 45 H 9.20 4.56 0.00 3.25 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.08 5.08 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.39 0.00 2.24 2.20 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 48 E 8.26 4.64 0.00 2.00 1.93 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 2.26 2.30 0.00 49 E 8.17 3.95 0.00 2.05 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 0.00 2.33 2.24 0.00 50 K 8.61 4.53 0.00 1.66 1.91 0.00 1.39 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.38 7.81 51 Y 8.01 4.69 0.00 2.98 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 52 K 8.02 4.01 0.00 1.92 1.99 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.41 7.81 53 L 8.12 3.99 0.00 1.66 1.65 1.04 1.15 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 54 G 8.78 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.66 4.94 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.89 4.56 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 0.98 0.00 0.00 0.94 0.00 0.00 57 V 8.34 4.82 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 0.93 0.00 0.00 0.85 0.00 0.00 58 E 8.74 5.18 0.00 1.92 1.82 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 2.22 2.26 0.00 59 I 9.04 4.97 1.53 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.73 0.97 0.00 0.00 60 I 8.32 5.00 1.90 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 1.09 1.49 1.01 0.00 0.00 61 E 9.33 2.78 0.00 1.89 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 2.12 2.00 0.00 62 S 7.34 4.75 0.00 3.66 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 63 R 8.30 3.95 0.00 1.71 1.77 0.00 3.20 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 P 0.00 4.45 0.00 2.05 1.96 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 65 I 8.10 4.27 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.84 0.00 0.00 66 S 7.41 4.51 0.00 3.98 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 67 K 7.93 4.00 0.00 1.81 1.76 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.48 7.81 68 R 8.79 3.54 0.00 1.97 2.02 0.00 3.26 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 69 K 9.91 4.60 0.00 1.86 1.83 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.41 7.81 70 R 8.36 4.90 0.00 1.83 1.63 0.00 3.20 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 71 F 8.07 5.17 0.00 2.95 2.81 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 72 R 8.67 4.96 0.00 1.78 1.85 0.00 3.14 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 73 V 7.75 3.59 1.52 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 -0.17 0.00 0.00 0.62 0.00 0.00 74 L 9.60 4.13 0.00 1.74 1.51 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.65 4.95 0.00 1.92 2.01 0.00 3.03 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 76 L 8.61 4.75 0.00 1.78 1.62 1.04 0.88 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 77 V 8.22 4.32 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 0.85 0.00 0.00 0.95 0.00 0.00 78 E 7.57 4.82 0.00 2.03 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 2.14 2.17 0.00 79 S 9.48 4.74 0.00 3.88 3.79 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 80 G 8.23 3.54 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 81 R 7.93 4.86 0.00 1.96 1.97 0.00 3.31 0.00 0.00 3.45 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 82 M 7.75 4.24 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.06 4.39 0.00 2.87 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 84 L 7.98 4.01 0.00 1.87 1.77 0.93 0.87 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 85 V 7.93 3.80 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.03 0.00 0.00 86 E 7.91 3.96 0.00 2.24 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 2.65 2.49 0.00 87 K 7.80 4.08 0.00 1.88 1.92 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.64 7.81 88 Y 8.17 4.54 0.00 2.99 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 89 L 8.34 3.41 0.00 1.92 1.64 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.19 3.57 1.89 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 1.04 0.84 0.00 0.00 91 R 7.13 3.72 0.00 2.04 2.01 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 92 R 8.02 3.39 0.00 1.27 1.62 0.00 2.81 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 93 Q 7.88 3.88 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 94 N 8.02 4.32 0.00 2.75 2.76 0.00 0.00 6.92 7.00 0.00 0.00 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 Y 7.22 4.39 0.00 2.97 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 96 E 7.95 4.01 0.00 2.04 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 97 S 7.74 4.61 0.00 3.96 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 98 L 8.13 4.66 0.00 1.78 1.69 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.01 4.57 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.36 4.12 0.00 1.72 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81