NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4401 8.3349 115.4133 57.9060 64.5017 173.8633 2 K 4.0585 7.9783 119.0359 57.5846 32.9132 175.8911 3 T 4.2244 8.4127 117.1359 65.1994 70.8480 175.3654 4 N 4.4059 7.9542 120.3063 52.9426 39.7500 173.5173 5 P 4.2980 0.0000 0.0000 65.6625 31.4149 178.8557 6 R 3.8807 8.5520 117.2646 59.1870 30.1365 178.4374 7 L 3.8996 8.1917 119.5348 58.4373 41.9523 179.0237 8 S 4.0438 8.1282 112.7272 61.6003 62.3649 176.3520 9 S 4.1077 8.0442 117.8102 61.3483 62.5303 176.0942 10 L 3.8584 8.5112 123.3557 58.5006 41.7597 178.8817 11 I 3.6607 7.7745 119.0903 64.6751 37.1238 178.2652 12 A 4.0071 7.8417 120.9480 55.1413 18.1147 179.4389 13 D 4.2408 8.3711 117.8155 57.5949 40.9419 178.9363 14 L 3.8402 8.3011 119.7822 57.7413 41.6263 179.9024 15 K 4.0487 7.9973 118.5251 59.3321 31.9257 179.3230 16 S 4.0686 8.1275 113.2622 61.4324 62.4377 176.1202 17 A 3.9931 8.2484 123.3570 55.1159 17.8763 179.3762 18 A 4.2328 8.0291 118.1768 54.6547 18.5511 179.3636 19 R 4.2423 7.6381 115.6396 58.6680 30.6639 178.7754 20 S 4.3493 8.1713 114.5207 60.8001 63.3481 175.4768 21 S 4.4623 7.7885 115.8625 58.6740 63.3534 174.0517 22 G 4.0446 8.3853 107.6852 45.8127 0.0000 174.4804 23 G 3.8134 7.9475 108.6869 44.7412 0.0000 173.8888 24 A 4.5995 7.8698 117.2546 51.7600 22.4400 179.1172 25 V 3.5416 7.5403 109.2892 64.1063 31.4710 178.4793 26 W 5.0447 7.6712 118.3781 60.1294 29.0060 178.7274 27 G 3.6615 8.2224 104.7005 47.1981 0.0000 175.2791 28 D 4.2775 7.8883 120.2197 57.4680 41.2618 178.4128 29 V 3.6261 8.7650 119.7444 65.9239 31.6369 177.6447 30 A 4.0087 8.4500 120.8881 55.3658 17.9463 179.5344 31 E 4.2191 7.7917 117.0704 59.0849 29.8108 179.2711 32 R 4.0609 7.9610 118.3403 59.2154 29.9055 178.5129 33 L 3.7985 8.0564 118.4539 57.3794 41.4325 178.8806 34 E 4.1601 8.0410 118.1001 57.8952 29.3295 177.4868 35 K 4.1881 7.0230 117.2898 54.8536 33.1180 174.8956 36 P 4.1816 0.0000 0.0000 63.1545 32.0249 177.5659 37 R 3.5471 8.8006 121.3626 59.3569 30.1592 179.0614 38 R 3.9811 7.9206 112.9436 58.9448 29.4964 177.7309 39 T 4.1337 8.0856 108.5291 63.7613 69.3816 175.0555 40 H 4.2146 7.6014 117.9338 55.9038 29.4952 174.6622 41 A 4.2481 8.1362 123.3984 52.4124 19.6710 177.1616 42 E 4.9451 8.6311 119.8370 54.9904 31.9021 174.3353 43 V 4.4851 8.5377 123.8630 60.9631 34.8943 174.2650 44 N 5.7563 8.3863 122.8460 51.2423 40.8261 175.9231 45 L 4.0452 8.4164 121.3658 58.3617 41.2711 180.1053 46 G 3.8296 8.2418 104.8293 48.2095 0.0000 175.2588 47 R 3.9576 8.0188 120.2806 58.8005 30.1327 178.6869 48 I 3.7203 7.5338 119.3370 64.3422 37.0405 177.5060 49 E 3.8866 8.1262 119.1150 59.5818 29.3898 178.6832 50 R 3.8670 7.2523 116.3592 58.4347 30.1263 176.5320 51 Y 4.8214 7.2885 112.2627 57.5103 38.7836 175.1730 52 A 4.7686 7.8354 123.3974 50.7130 20.8745 177.1261 53 Q 4.5835 8.1247 116.8440 53.8652 31.7065 174.7086 54 E 4.0353 8.7757 120.2190 58.3352 29.9682 177.0660 55 D 4.4283 8.8617 119.2750 54.6045 38.6051 173.1513 56 E 4.7524 7.7613 120.1286 54.3320 31.7042 175.7493 57 T 4.2434 8.6141 125.4167 63.6623 69.8300 174.0247 58 V 4.3356 8.8589 127.8613 62.5095 33.0782 174.7022 59 V 4.8534 8.9586 128.5899 61.2204 33.9120 174.2118 60 V 4.7805 9.2388 129.2203 59.0286 33.0357 174.5490 61 P 4.7689 0.0000 0.0000 60.0254 29.8949 174.8427 62 G 4.2670 7.0270 118.1760 47.3651 0.0000 175.3226 63 K 4.9616 9.0742 126.9425 54.1932 35.8828 173.6710 64 V 4.6805 8.1871 126.2906 61.4393 33.4652 174.5213 65 L 5.0203 9.3860 128.4686 52.4045 44.8730 176.6817 66 G 3.7942 8.5473 107.7194 46.9971 0.0000 173.1416 67 S 4.5291 8.1295 115.9258 58.3389 64.0568 174.4247 68 G 3.9483 9.1297 112.2302 44.1375 0.0000 171.9096 69 V 4.3353 7.9465 116.9845 60.6909 34.0914 175.0838 70 L 4.8132 8.5552 128.0798 53.6074 43.8808 175.0215 71 Q 4.4286 10.0123 125.9000 57.3109 30.2997 176.8832 72 K 3.8417 8.2386 115.1344 57.4513 32.7054 176.8084 73 D 5.4629 8.3345 122.8678 52.3475 39.9824 174.8563 74 V 4.7143 7.7486 115.1736 59.1847 36.1001 174.3945 75 T 4.7986 8.3837 119.7089 62.7076 70.1415 173.7333 76 V 4.8872 8.8107 126.8347 61.0248 34.3347 174.0730 77 A 5.9400 9.7063 129.1562 49.4819 21.7872 174.9022 78 A 5.1590 8.4676 122.6271 48.9542 22.8727 176.7824 79 V 3.6821 8.5600 119.2851 66.2119 32.1547 175.3571 80 D 4.6776 7.2052 117.0599 53.7063 44.4240 174.3287 81 F 5.3996 8.8835 119.6501 55.4154 43.1533 175.1062 82 S 4.3920 8.9323 116.3661 57.8886 64.0491 175.4493 83 G 3.7183 8.9009 107.4379 48.4929 0.0000 176.1322 84 T 3.9305 7.8861 117.2476 66.1233 68.5320 176.4082 85 A 4.0381 8.0503 122.7847 55.5052 18.4153 179.4052 86 E 3.7173 8.2465 117.3918 59.4894 29.3311 179.1542 87 T 3.8117 7.3132 115.2077 66.4051 68.9197 176.2840 88 K 4.8105 8.0748 121.5459 59.2699 32.2201 179.3545 89 I 3.7443 7.9872 119.8694 64.4663 36.8235 177.5284 90 D 4.8589 7.5819 117.9244 54.9770 41.1731 177.9500 91 Q 4.2332 8.1394 119.2802 57.5665 28.9068 177.3957 92 V 4.5884 7.7263 110.1209 60.6607 34.6870 174.4023 93 G 4.2422 8.4032 111.5574 44.3684 0.0000 173.6580 94 E 5.0158 9.2768 126.2546 54.7828 33.2096 173.5318 95 A 4.7930 9.0714 130.2045 51.0010 19.8706 176.4986 96 V 4.5950 9.2186 122.2799 60.9507 35.8839 174.9740 97 S 5.1994 8.5234 118.7385 57.3333 64.5629 175.2834 98 L 3.9653 8.0761 121.1111 58.0272 41.0205 179.7390 99 E 3.8210 7.4261 118.1505 59.2471 29.5249 179.3347 100 Q 4.0464 7.9482 117.8467 58.8120 28.9313 177.8674 101 A 4.0171 8.0264 121.2142 55.7497 18.3050 179.4981 102 I 2.9792 7.6505 118.0768 63.9373 36.7184 178.2659 103 E 4.0515 8.3217 119.7224 59.1694 29.8668 178.1315 104 N 4.6060 8.0385 113.7008 54.9748 40.1994 175.2340 105 N 5.1576 8.4778 119.3226 51.7450 40.0176 172.8595 106 P 4.6701 0.0000 0.0000 65.3554 31.9613 178.1765 107 E 4.1224 8.4682 115.7394 56.4089 29.6346 177.0694 108 G 3.5550 8.2809 103.4406 46.0366 0.0000 172.4316 109 S 4.5914 8.2849 117.4487 57.1481 66.6099 173.7848 110 H 4.0281 8.3595 114.2848 56.9690 26.2032 174.4764 111 V 4.9307 7.6631 116.4715 59.8546 34.0370 174.8459 112 R 4.5100 9.0290 123.8386 54.3822 32.4701 174.6474 113 V 4.3983 8.4138 127.2077 62.9245 32.0746 175.1719 114 I 4.8278 8.8784 128.1876 59.4179 41.1673 175.9062 115 R 4.1885 8.4942 121.8626 56.3828 29.5348 174.9036 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 S 8.33 4.44 0.00 3.99 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 2 K 7.98 4.06 0.00 1.86 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.49 7.81 3 T 8.41 4.22 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 1.21 0.00 0.00 4 N 7.95 4.41 0.00 2.76 2.72 0.00 0.00 7.22 7.71 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 5 P 0.00 4.30 0.00 2.19 2.09 0.00 3.65 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 2.11 2.18 0.00 6 R 8.55 3.88 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.19 3.90 0.00 1.76 1.83 0.93 0.85 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 8 S 8.13 4.04 0.00 4.06 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 9 S 8.04 4.11 0.00 4.02 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 10 L 8.51 3.86 0.00 1.68 1.87 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.77 3.66 2.05 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 1.45 0.58 0.92 0.00 0.00 12 A 7.84 4.01 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 13 D 8.37 4.24 0.00 2.77 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 14 L 8.30 3.84 0.00 1.83 1.93 0.91 0.67 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 15 K 8.00 4.05 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.13 4.07 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.25 3.99 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 18 A 8.03 4.23 1.53 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 0.00 0.00 0.00 19 R 7.64 4.24 0.00 1.97 2.01 0.00 3.24 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 20 S 8.17 4.35 0.00 3.87 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 21 S 7.79 4.46 0.00 4.22 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 22 G 8.39 4.04 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 0.00 0.00 0.00 23 G 7.95 3.81 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 0.00 24 A 7.87 4.60 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 25 V 7.54 3.54 1.70 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 0.65 0.00 0.00 -0.32 0.00 0.00 26 W 7.67 5.04 0.00 3.34 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 27 G 8.22 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 28 D 7.89 4.28 0.00 3.07 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 29 V 8.77 3.63 2.42 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 1.12 0.00 0.00 1.12 0.00 0.00 30 A 8.45 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.79 4.22 0.00 2.15 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 2.29 0.00 32 R 7.96 4.06 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 8.06 3.80 0.00 1.76 1.68 0.90 1.02 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 34 E 8.04 4.16 0.00 2.32 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 2.36 0.00 35 K 7.02 4.19 0.00 2.00 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.18 0.00 2.15 1.99 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 R 8.80 3.55 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 38 R 7.92 3.98 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 8.09 4.13 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 1.22 0.00 0.00 40 H 7.60 4.21 0.00 3.26 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.14 4.25 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 42 E 8.63 4.95 0.00 1.80 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 2.20 2.30 0.00 43 V 8.54 4.49 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.39 5.76 0.00 2.69 2.90 0.00 0.00 7.60 6.74 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 45 L 8.42 4.05 0.00 1.74 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.24 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 0.00 0.00 0.00 0.00 47 R 8.02 3.96 0.00 1.94 1.96 0.00 3.21 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 48 I 7.53 3.72 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 1.57 0.53 0.95 0.00 0.00 49 E 8.13 3.89 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 50 R 7.25 3.87 0.00 1.67 1.25 0.00 2.40 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.34 0.00 51 Y 7.29 4.82 0.00 2.99 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 52 A 7.84 4.77 1.32 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 53 Q 8.12 4.58 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 54 E 8.78 4.04 0.00 1.98 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 2.56 2.37 0.00 55 D 8.86 4.43 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.76 4.75 0.00 1.95 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 2.22 2.40 0.00 57 T 8.61 4.24 4.31 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 1.36 0.00 0.00 58 V 8.86 4.34 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 0.84 0.00 0.00 0.98 0.00 0.00 59 V 8.96 4.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.14 0.00 0.00 60 V 9.24 4.78 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 0.97 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.77 0.00 2.13 2.23 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.03 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 0.00 0.00 0.00 0.00 63 K 9.07 4.96 0.00 1.73 1.55 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.19 4.68 1.92 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 1.03 0.00 0.00 0.72 0.00 0.00 65 L 9.39 5.02 0.00 1.78 1.54 0.92 0.73 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 66 G 8.55 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 0.00 0.00 0.00 67 S 8.13 4.53 0.00 3.93 3.81 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 68 G 9.13 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 0.00 0.00 0.00 69 V 7.95 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.56 4.81 0.00 1.59 1.52 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.01 4.43 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 72 K 8.24 3.84 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.33 5.46 0.00 2.83 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 74 V 7.75 4.71 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 1.01 0.00 0.00 1.00 0.00 0.00 75 T 8.38 4.80 4.29 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 1.27 0.00 0.00 76 V 8.81 4.89 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 0.91 0.00 0.00 1.03 0.00 0.00 77 A 9.71 5.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.47 5.16 0.50 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 0.00 0.00 79 V 8.56 3.68 2.14 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 0.72 0.00 0.00 0.89 0.00 0.00 80 D 7.21 4.68 0.00 2.79 2.40 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 81 F 8.88 5.40 0.00 2.84 2.94 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 82 S 8.93 4.39 0.00 3.96 4.03 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 0.00 0.00 0.00 83 G 8.90 3.72 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 0.00 0.00 0.00 84 T 7.89 3.93 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 1.23 0.00 0.00 85 A 8.05 4.04 1.53 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 0.00 0.00 0.00 86 E 8.25 3.72 0.00 1.99 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 2.15 1.98 0.00 87 T 7.31 3.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.07 4.81 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 89 I 7.99 3.74 1.94 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 1.58 0.68 0.91 0.00 0.00 90 D 7.58 4.86 0.00 2.78 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 91 Q 8.14 4.23 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.75 0.00 92 V 7.73 4.59 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 0.76 0.00 0.00 0.99 0.00 0.00 93 G 8.40 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 0.00 0.00 0.00 0.00 94 E 9.28 5.02 0.00 1.98 1.75 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 2.17 2.23 0.00 95 A 9.07 4.79 0.58 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 96 V 9.22 4.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 97 S 8.52 5.20 0.00 4.21 4.03 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 0.00 0.00 0.00 98 L 8.08 3.97 0.00 1.79 1.60 1.01 0.99 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 99 E 7.43 3.82 0.00 2.00 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 2.31 2.33 0.00 100 Q 7.95 4.05 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.03 4.02 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 0.00 102 I 7.65 2.98 1.68 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.35 0.62 0.00 0.00 103 E 8.32 4.05 0.00 1.86 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 2.29 2.32 0.00 104 N 8.04 4.61 0.00 2.78 2.90 0.00 0.00 6.60 8.00 0.00 0.00 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 8.48 5.16 0.00 2.86 3.01 0.00 0.00 6.77 8.49 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 0.00 106 P 0.00 4.67 0.00 2.31 2.31 0.00 3.51 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 107 E 8.47 4.12 0.00 2.01 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 2.34 2.40 0.00 108 G 8.28 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 0.00 109 S 8.28 4.59 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.36 4.03 0.00 3.35 3.39 0.00 5.57 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 0.00 111 V 7.66 4.93 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 0.44 0.00 0.00 0.91 0.00 0.00 112 R 9.03 4.51 0.00 2.13 1.82 0.00 3.13 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.41 4.40 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 0.82 0.00 0.00 0.88 0.00 0.00 114 I 8.88 4.83 1.91 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 1.50 1.45 1.00 0.00 0.00 115 R 8.49 4.19 0.00 1.85 1.83 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00