NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7420 8.4449 117.8247 56.1905 30.0295 172.9352 1D H 4.5002 8.7228 118.7348 56.0375 29.6505 173.2291 1E H 5.1101 7.6691 115.0585 53.4723 33.3284 171.9846 1F H 4.6372 8.8384 116.8839 55.8251 29.0804 174.3674 1G F 4.7884 8.3539 119.4446 57.8177 39.8754 174.0245 2 N 4.6679 8.4356 116.9097 52.2189 39.2954 174.5954 3 L 4.8364 8.0760 122.7951 51.9429 44.5349 174.5308 4 P 4.5814 0.0000 0.0000 61.5524 32.7304 175.6067 5 P 4.3956 0.0000 0.0000 63.1196 32.7215 175.5591 6 G 3.7969 8.5594 110.4149 45.4683 0.0000 171.7893 7 N 4.6908 8.0571 115.5017 51.2067 39.7482 174.5060 8 Y 4.7397 8.3574 119.6519 58.8473 38.7532 177.2901 9 K 4.1203 8.3821 123.7424 57.1741 31.7822 181.2433 10 K 4.7630 7.6354 117.0809 53.1827 34.5041 174.3231 11 P 4.7449 0.0000 0.0000 63.2899 32.2297 175.0882 12 K 4.9538 9.5096 119.3799 55.1319 37.3927 174.9662 13 L 5.1813 9.2191 121.2948 53.5473 44.3278 176.3099 14 L 5.0589 8.9121 122.8193 53.4811 43.1217 174.0136 15 Y 4.7939 9.3359 126.3671 56.7082 40.6313 173.4064 16 C 3.9452 8.5506 128.2680 57.5027 32.5333 173.9368 17 S 3.6969 7.7132 121.4772 61.5997 62.0042 174.6491 18 N 3.9891 8.0962 116.5073 56.2755 38.6738 174.9549 19 G 3.9196 7.5636 104.0243 44.5106 0.0000 172.5190 20 G 3.5286 7.5447 106.1885 44.9459 0.0000 173.3533 21 H 4.9738 7.1196 114.0985 53.6435 33.3554 174.1167 22 F 5.3446 9.2693 120.0190 55.7123 40.6530 175.4425 23 L 4.5525 9.1100 126.2499 55.7820 43.2158 175.7602 24 R 5.1002 9.4477 125.3777 54.8584 34.0670 173.6362 25 I 4.8833 8.2929 126.5795 59.5028 39.0559 175.7538 26 L 4.1327 9.3897 128.4910 53.3732 42.3245 176.6021 27 P 4.1439 0.0000 0.0000 65.9351 31.2567 177.1498 28 D 4.5341 7.9939 114.4456 53.5738 39.6873 177.0734 29 G 4.5376 8.9455 109.9882 45.4821 0.0000 173.8225 30 T 4.3906 8.6081 118.0456 63.1770 69.1443 173.7097 31 V 4.9513 7.8207 124.8892 61.3273 34.3725 174.7104 32 D 4.5604 8.4615 123.8475 53.2662 43.4947 174.2999 33 G 4.5970 8.7518 104.8545 45.3232 0.0000 172.4770 34 T 5.0058 9.0304 115.9546 60.3808 70.9832 174.6604 35 R 4.2441 8.9006 124.5330 56.7029 30.9724 176.3519 36 D 4.6030 8.1207 119.0175 53.2824 40.1379 176.5998 37 R 3.4874 8.6182 127.7174 58.0602 30.2213 177.1458 38 S 4.3700 8.2564 110.9207 58.8571 63.6865 174.1162 39 D 4.3640 7.7171 121.6572 54.9885 41.2808 175.9022 40 Q 4.1809 8.4102 122.9217 56.7456 29.1654 175.9162 41 H 4.7547 9.4337 116.4421 55.4839 29.1621 174.9430 42 I 4.5766 6.9171 111.2119 60.0185 38.4410 175.2713 43 Q 4.4778 7.3456 123.1171 54.8730 30.4725 174.5988 44 F 5.2780 9.0798 122.0566 55.6095 43.6630 173.7752 45 Q 4.8844 9.3895 123.3334 54.5945 30.7131 174.4409 46 L 5.3597 8.7359 126.7323 53.8528 43.6975 176.2548 47 S 4.4930 8.6992 115.2934 56.7094 66.8917 172.4498 48 A 4.3503 8.2125 125.9879 52.2646 19.6239 176.1530 49 E 3.9732 9.3008 120.6878 56.1564 29.9591 175.9620 50 S 4.7403 6.8065 112.0567 56.4654 65.7512 174.0339 51 V 3.8109 8.1520 121.4671 64.6923 31.5039 176.2608 52 G 3.9393 9.2136 114.9266 45.1786 0.0000 171.8785 53 E 5.1619 8.2828 120.1092 54.6784 32.0021 175.6561 54 V 4.9336 9.1367 116.6217 59.9061 36.8192 173.8035 55 Y 5.0858 8.7301 119.3197 56.4912 41.0001 175.3903 56 I 4.4688 8.6621 123.1052 59.5969 40.2163 173.9041 57 K 4.8287 8.7229 129.0841 53.9690 34.8953 175.1867 58 S 4.4163 9.1291 123.4222 58.7500 62.6066 174.9650 59 T 3.7907 8.4579 118.5606 64.5491 68.8285 176.0172 60 E 4.0070 8.2234 122.6351 58.7057 29.8858 177.1642 61 T 4.2257 7.9794 106.5354 61.0340 69.9702 175.7916 62 G 3.8233 8.1856 109.7176 45.0938 0.0000 173.4836 63 Q 4.4038 7.6135 119.5155 56.0032 30.0729 174.8303 64 Y 4.8716 9.3076 121.4394 56.5984 40.0615 174.8519 65 L 4.4064 9.0204 126.2876 55.2402 43.3733 175.5867 66 A 5.0617 8.6979 126.2248 50.7421 23.3623 174.2840 67 M 5.3409 8.6692 119.0915 53.8185 34.8178 175.6085 68 D 5.2249 9.5052 126.0734 52.0548 41.0352 176.9408 69 T 4.0116 8.5569 112.7993 64.8364 67.2923 174.1417 70 D 4.7512 8.5227 118.8933 53.9516 41.1601 176.9502 71 G 3.3948 8.5982 108.0445 45.1222 0.0000 172.8844 72 L 4.7601 8.5641 120.4730 53.2721 43.3618 176.1898 73 L 5.0089 8.5559 123.6193 55.0627 42.6905 175.6779 74 Y 5.0198 9.0581 120.2768 55.9182 42.1211 173.6247 75 G 4.3410 8.8951 108.3321 45.1733 0.0000 173.1017 76 S 5.0735 9.2044 121.5842 56.8432 63.8973 175.3266 77 Q 4.1983 9.1284 126.1114 58.0558 28.9791 176.4624 78 T 4.7461 7.6497 106.2302 58.6196 71.3776 171.7872 79 P 3.8785 0.0000 0.0000 62.4438 32.0813 175.0787 80 N 4.9918 8.1806 117.6094 51.1978 40.5985 174.6359 81 E 3.8785 8.7553 115.0373 59.2730 29.2899 178.4014 82 E 4.0893 9.0116 118.4817 57.7530 29.7633 177.5938 83 C 4.9134 7.8828 115.4077 59.4832 29.0809 173.5638 84 L 4.3195 7.0189 120.6003 53.8319 42.7943 175.9548 85 F 5.1520 8.9987 121.0805 55.6324 43.7478 174.0867 86 L 4.8977 9.0902 122.5131 53.7280 42.7710 175.5151 87 E 4.4010 8.9930 127.1548 55.2907 30.2017 175.6627 88 R 4.7859 8.5031 125.3955 54.0342 34.7928 174.4995 89 L 4.7733 8.6134 123.5089 54.9567 43.1320 175.7448 90 E 4.6809 9.0260 125.2886 55.1971 33.8163 174.8997 91 E 3.9564 10.1880 124.1295 57.4201 27.8687 176.8035 92 N 4.3775 8.5593 113.1602 54.3614 37.1534 174.7461 93 H 4.7614 7.9614 110.8938 55.0218 31.5605 172.5787 94 Y 4.7424 8.3149 117.4555 56.5750 40.9536 174.0108 95 N 5.6186 9.8139 117.7086 51.9379 41.6933 174.4967 96 T 5.2363 8.8541 112.0718 60.1935 72.8663 172.7143 97 Y 4.9503 8.5884 119.1830 56.5842 41.5076 174.1678 98 I 4.4765 8.6095 126.3234 59.4064 39.2903 175.5847 99 S 3.8740 8.8632 122.7379 58.2980 62.4168 173.9707 100 K 3.9436 8.6748 129.5374 59.3342 32.3536 178.6229 101 K 3.7045 7.9172 118.4324 59.3729 32.2039 176.9508 102 H 4.6198 8.0862 114.2752 55.2382 29.1852 176.5556 103 A 3.9219 7.6378 126.0973 55.2999 18.2254 180.8902 104 E 3.6191 7.8736 112.1642 58.7453 29.5923 177.7889 105 K 4.0727 7.6502 116.8277 55.6187 32.8485 175.8628 106 N 3.9616 7.5865 115.7252 53.9915 36.3379 174.5336 107 W 5.0957 7.6175 117.6288 55.6257 31.3035 177.4472 108 F 5.4620 9.3012 123.4464 55.3290 41.7354 175.1597 109 V 4.0030 8.9961 121.1126 62.9938 32.4537 175.1646 110 G 4.3827 8.4637 112.2123 45.4501 0.0000 171.6320 111 L 5.2914 8.4809 121.2407 52.4665 45.2108 177.1733 112 K 4.2614 9.1733 123.2377 55.4676 32.8956 178.2911 113 K 3.8627 8.4758 119.6881 59.4366 31.9137 177.9117 114 N 4.5333 8.0604 113.6117 52.7779 37.8075 175.8670 115 G 3.5438 8.4115 108.9623 45.1808 0.0000 173.2954 116 S 4.8442 7.9444 114.8803 57.2663 65.0095 173.7607 117 C 4.7539 8.5169 119.3020 59.9166 28.7232 173.4190 118 K 4.3735 8.6346 122.0520 55.5018 33.1432 176.8109 119 R 4.1544 8.5173 123.3415 55.5599 30.9960 177.1156 120 G 3.1595 8.1045 114.6264 48.3913 0.0000 174.0754 121 P 4.2851 0.0000 0.0000 64.0252 31.4691 177.6458 122 R 4.2237 7.7691 116.3737 56.8006 30.4360 176.4872 123 T 5.0663 7.7432 108.4481 60.0134 70.6771 173.3597 124 H 4.7114 7.7454 115.0208 54.9459 30.5201 173.1237 125 Y 3.9050 8.6594 118.4119 59.7511 38.1389 176.9646 126 G 4.0685 9.0215 111.2827 45.5151 0.0000 174.0521 127 Q 4.2206 7.3937 118.7758 55.2406 29.7422 177.1516 128 K 3.8467 8.3074 119.0350 58.7586 32.8358 179.4659 129 A 3.9988 8.0285 121.1274 53.9782 18.3410 178.5200 130 I 4.4067 7.1843 106.1120 60.7228 38.0293 175.3610 131 L 4.3933 7.3518 123.3786 53.9371 42.6881 175.7235 132 F 5.0503 9.4305 122.7404 55.4442 43.0953 174.0508 133 L 5.2095 9.1781 124.2980 52.5981 44.4766 173.5959 134 P 5.1563 0.0000 0.0000 62.8360 32.1717 175.6479 135 L 5.0930 9.2083 124.5435 51.7053 45.3794 174.2460 136 P 4.6067 0.0000 0.0000 62.7012 32.2177 176.5071 137 V 3.7096 8.2513 120.6204 63.2962 31.5108 175.6485 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 1C H 8.44 4.74 0.00 3.13 3.45 0.00 5.67 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 1D H 8.72 4.50 0.00 3.23 3.23 0.00 5.64 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 1E H 7.67 5.11 0.00 3.18 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.84 4.64 0.00 3.31 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.35 4.79 0.00 2.82 3.02 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 N 8.44 4.67 0.00 2.92 2.75 0.00 0.00 6.82 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 3 L 8.08 4.84 0.00 1.48 1.40 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.16 2.18 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 5 P 0.00 4.40 0.00 2.17 2.08 0.00 3.90 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 8.56 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 7 N 8.06 4.69 0.00 2.74 2.76 0.00 0.00 5.87 7.55 0.00 0.00 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 Y 8.36 4.74 0.00 3.05 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 9 K 8.38 4.12 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.31 7.81 10 K 7.64 4.76 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 11 P 0.00 4.74 0.00 2.07 2.06 0.00 3.72 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 1.98 2.00 0.00 12 K 9.51 4.95 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.65 7.81 13 L 9.22 5.18 0.00 1.80 1.79 0.58 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.91 5.06 0.00 1.53 1.56 0.17 0.82 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 15 Y 9.34 4.79 0.00 3.26 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 16 C 8.55 3.95 0.00 2.33 2.46 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 0.00 17 S 7.71 3.70 0.00 3.57 3.51 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 18 N 8.10 3.99 0.00 2.60 2.70 0.00 0.00 6.71 7.98 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 19 G 7.56 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 20 G 7.54 3.53 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 0.00 21 H 7.12 4.97 0.00 3.00 3.25 0.00 5.80 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 22 F 9.27 5.34 0.00 3.14 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 23 L 9.11 4.55 0.00 1.81 1.57 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.45 5.10 0.00 1.99 2.09 0.00 3.21 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 25 I 8.29 4.88 2.00 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 1.31 1.08 0.97 0.00 0.00 26 L 9.39 4.13 0.00 1.79 1.52 0.93 0.64 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 27 P 0.00 4.14 0.00 2.00 2.11 0.00 3.50 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 28 D 7.99 4.53 0.00 2.78 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 29 G 8.95 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 30 T 8.61 4.39 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 1.24 0.00 0.00 31 V 7.82 4.95 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 0.90 0.00 0.00 0.99 0.00 0.00 32 D 8.46 4.56 0.00 2.85 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 33 G 8.75 4.60 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 0.00 0.00 0.00 34 T 9.03 5.01 4.34 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 1.38 0.00 0.00 35 R 8.90 4.24 0.00 1.89 2.00 0.00 3.23 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 36 D 8.12 4.60 0.00 2.86 2.65 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 0.00 0.00 0.00 0.00 37 R 8.62 3.49 0.00 1.89 1.88 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.00 38 S 8.26 4.37 0.00 3.97 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 39 D 7.72 4.36 0.00 2.75 2.59 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 40 Q 8.41 4.18 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 41 H 9.43 4.75 0.00 3.29 3.46 0.00 5.78 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 42 I 6.92 4.58 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 1.07 0.00 0.00 43 Q 7.35 4.48 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 44 F 9.08 5.28 0.00 2.94 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 45 Q 9.39 4.88 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 46 L 8.74 5.36 0.00 1.90 1.73 1.00 1.04 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 47 S 8.70 4.49 0.00 3.87 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 48 A 8.21 4.35 1.05 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 0.00 0.00 0.00 0.00 0.00 49 E 9.30 3.97 0.00 1.96 1.66 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 2.23 2.15 0.00 50 S 6.81 4.74 0.00 4.04 3.86 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 51 V 8.15 3.81 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 0.95 0.00 0.00 1.03 0.00 0.00 52 G 9.21 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 53 E 8.28 5.16 0.00 2.06 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 2.29 0.00 54 V 9.14 4.93 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 0.73 0.00 0.00 1.15 0.00 0.00 55 Y 8.73 5.09 0.00 3.01 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 56 I 8.66 4.47 1.60 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.66 0.29 0.00 0.00 57 K 8.72 4.83 0.00 1.45 1.46 0.00 1.16 0.00 0.00 1.03 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.94 0.25 7.81 58 S 9.13 4.42 0.00 3.90 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 T 8.46 3.79 4.16 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 0.00 0.00 0.00 1.16 0.00 0.00 60 E 8.22 4.01 0.00 1.91 1.95 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 2.21 2.35 0.00 61 T 7.98 4.23 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 1.22 0.00 0.00 62 G 8.19 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 0.00 0.00 0.00 63 Q 7.61 4.40 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 64 Y 9.31 4.87 0.00 2.95 2.97 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 65 L 9.02 4.41 0.00 1.50 1.35 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.70 5.06 0.53 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 67 M 8.67 5.34 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 68 D 9.51 5.22 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 T 8.56 4.01 4.33 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 1.27 0.00 0.00 70 D 8.52 4.75 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 71 G 8.60 3.39 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 0.00 72 L 8.56 4.76 0.00 1.94 1.64 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.56 5.01 0.00 1.57 1.62 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.06 5.02 0.00 2.98 2.99 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 75 G 8.90 4.34 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 0.00 76 S 9.20 5.07 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 77 Q 9.13 4.20 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.65 4.75 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 1.25 0.00 0.00 79 P 0.00 3.88 0.00 1.57 0.49 0.00 3.59 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 1.65 1.38 0.00 80 N 8.18 4.99 0.00 2.92 2.94 0.00 0.00 6.00 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 81 E 8.76 3.88 0.00 2.11 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 2.30 0.00 82 E 9.01 4.09 0.00 2.29 2.30 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 2.40 2.35 0.00 83 C 7.88 4.91 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 7.02 4.32 0.00 1.46 1.30 0.73 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.00 5.15 0.00 3.08 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 86 L 9.09 4.90 0.00 1.49 1.59 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.99 4.40 0.00 2.14 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 0.00 2.16 1.90 0.00 88 R 8.50 4.79 0.00 1.75 1.78 0.00 3.05 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 89 L 8.61 4.77 0.00 1.58 1.66 1.01 1.16 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 E 9.03 4.68 0.00 2.21 1.83 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 2.29 2.40 0.00 91 E 10.19 3.96 0.00 2.38 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 0.00 2.28 2.32 0.00 92 N 8.56 4.38 0.00 2.54 2.72 0.00 0.00 6.90 8.16 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 93 H 7.96 4.76 0.00 2.69 3.00 0.00 5.83 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 94 Y 8.31 4.74 0.00 2.93 3.07 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 0.00 0.00 0.00 95 N 9.81 5.62 0.00 3.01 2.49 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 96 T 8.85 5.24 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 97 Y 8.59 4.95 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 98 I 8.61 4.48 1.66 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.60 0.00 0.00 99 S 8.86 3.87 0.00 3.93 4.06 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 0.00 100 K 8.67 3.94 0.00 1.68 1.66 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.30 7.81 101 K 7.92 3.70 0.00 1.57 1.60 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.75 1.14 7.81 102 H 8.09 4.62 0.00 3.10 2.20 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.64 3.92 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 0.00 104 E 7.87 3.62 0.00 1.82 1.64 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 2.07 2.12 0.00 105 K 7.65 4.07 0.00 0.95 1.45 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.99 7.81 106 N 7.59 3.96 0.00 3.06 3.09 0.00 0.00 6.88 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 0.00 107 W 7.62 5.10 0.00 3.30 3.08 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 0.00 108 F 9.30 5.46 0.00 2.82 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 0.00 109 V 9.00 4.00 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 0.57 0.00 0.00 0.57 0.00 0.00 110 G 8.46 4.38 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 0.00 111 L 8.48 5.29 0.00 1.47 1.45 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.17 4.26 0.00 1.90 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 113 K 8.48 3.86 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.38 7.81 114 N 8.06 4.53 0.00 2.79 2.90 0.00 0.00 6.18 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 0.00 115 G 8.41 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 0.00 116 S 7.94 4.84 0.00 3.90 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 0.00 117 C 8.52 4.75 0.00 2.88 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 0.00 118 K 8.63 4.37 0.00 1.75 1.68 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.52 4.15 0.00 1.73 1.60 0.00 3.25 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 120 G 8.10 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.29 0.00 1.99 2.25 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 122 R 7.77 4.22 0.00 1.84 1.92 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.74 5.07 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 1.36 0.00 0.00 124 H 7.75 4.71 0.00 3.39 3.51 0.00 5.47 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 0.00 125 Y 8.66 3.90 0.00 3.16 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 0.00 126 G 9.02 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.39 4.22 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 128 K 8.31 3.85 0.00 1.64 1.65 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.24 7.81 129 A 8.03 4.00 1.20 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 0.00 130 I 7.18 4.41 1.65 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 1.32 0.99 0.49 0.00 0.00 131 L 7.35 4.39 0.00 0.96 0.77 0.50 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.43 5.05 0.00 3.42 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 0.00 133 L 9.18 5.21 0.00 2.11 1.78 0.86 1.12 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 0.00 134 P 0.00 5.16 0.00 2.22 2.21 0.00 3.88 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 2.07 2.14 0.00 135 L 9.21 5.09 0.00 1.72 1.65 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.61 0.00 2.07 2.06 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 V 8.25 3.71 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 0.70 0.00 0.00 0.94 0.00 0.00