NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6637 8.2893 120.3270 55.3353 33.5567 174.2391 2 D 4.8877 8.4486 121.9479 49.8521 42.7266 172.9867 3 E 3.9412 9.6002 119.5901 59.7904 30.1856 179.9827 4 I 3.7507 7.8139 119.1954 64.4400 37.2355 177.8934 5 D 4.3790 8.6268 119.8740 57.4138 40.5505 178.8489 6 L 4.0774 7.8082 118.9884 57.9262 41.6693 179.8537 7 R 3.9590 7.8432 117.5502 59.0247 29.8587 179.2820 8 I 3.8401 7.6694 119.7483 64.4292 37.1591 178.4255 9 L 3.9602 8.3428 120.2660 57.7077 41.2161 179.4754 10 K 3.9071 8.2291 118.8900 59.2489 32.3004 178.7004 11 I 4.1204 7.3412 118.7448 64.3117 36.9812 178.2808 12 L 4.3627 8.2389 119.9009 57.5889 41.1500 179.5206 13 Q 3.9547 8.1552 117.0422 58.5801 28.5647 177.4093 14 Y 4.5487 7.1870 114.6173 58.4933 38.7350 175.5293 15 N 4.6058 8.1632 118.8992 52.4752 40.7401 173.5159 16 A 4.4921 8.5990 128.0838 52.6511 19.3267 177.0606 17 K 4.3580 8.3549 115.6298 56.3723 32.0689 176.6519 18 Y 4.5334 7.6110 117.2120 57.5853 39.0507 174.9123 19 S 4.7682 8.9438 116.0057 56.9500 64.8902 175.5278 20 L 4.0656 8.5053 122.1050 58.2485 41.2041 179.2744 21 D 4.3517 8.0810 118.9225 56.9126 40.8069 177.8178 22 E 3.8793 8.1099 118.5735 59.8462 29.7134 179.8027 23 I 3.5208 7.5494 118.6273 64.4045 37.1557 178.2924 24 A 4.0109 7.9879 121.4464 55.3037 17.9549 179.7090 25 R 3.8052 8.2265 116.5951 59.2872 30.1826 178.1459 26 E 4.0257 8.0279 118.6485 59.2917 29.8407 178.4799 27 I 3.8444 8.1594 118.0329 61.4836 38.0885 175.7180 28 R 3.8547 8.1604 117.7416 56.7646 27.2760 175.5677 29 I 4.7187 7.2081 108.3668 57.3299 41.4259 173.8779 30 P 4.2971 0.0000 0.0000 62.8085 32.7566 177.6999 31 K 3.9914 8.7479 122.6984 59.5996 32.1311 179.2339 32 S 4.1938 8.0226 114.2424 61.5619 62.9826 176.4963 33 T 4.0303 7.7473 119.0366 66.1279 68.2615 176.2896 34 L 3.9437 8.0756 122.3470 58.3169 42.2345 178.6628 35 S 4.1199 8.2752 113.0246 61.7814 62.1317 175.8104 36 Y 4.0680 7.9483 121.3539 60.8389 38.6262 177.9480 37 R 3.6800 8.3447 119.2875 59.4248 30.3321 179.1604 38 I 3.7057 8.1264 119.7396 64.3999 37.1094 178.7291 39 K 4.2990 8.0252 120.6063 58.6467 31.7087 179.4174 40 K 3.7893 7.8370 120.2486 59.3514 32.0699 178.9460 41 L 3.9275 7.9794 119.3394 57.7096 41.0702 179.4448 42 E 4.3500 7.9660 119.6406 58.8120 29.2519 179.4743 43 K 4.0303 7.8364 117.4949 59.1561 32.1936 178.4731 44 D 4.5914 8.1807 117.3828 54.6967 41.0898 177.4776 45 G 3.9260 7.5843 107.9446 45.2322 0.0000 174.9247 46 V 3.5142 7.7048 119.7982 65.4694 31.6643 176.3838 47 I 4.0333 7.4010 124.2227 59.7795 36.6453 176.3709 48 K 4.0496 8.3806 125.4487 56.4571 32.5372 177.3934 49 G 3.7260 6.1943 104.4725 45.7547 0.0000 170.5479 50 Y 4.4197 8.0547 115.8370 56.3007 41.1381 174.5672 51 Y 5.1001 8.3841 120.8879 56.0581 41.4764 174.6031 52 A 4.4854 8.4746 124.3399 51.1242 20.1691 176.7079 53 Y 4.5175 8.5484 124.2941 56.5435 38.4401 174.4624 54 I 3.9028 7.7086 128.6268 59.2744 38.6347 175.3407 55 N 3.9990 8.1895 123.7756 52.7685 38.7512 173.1853 56 P 4.1483 0.0000 0.0000 65.8218 31.2086 178.3803 57 A 4.0127 8.0405 118.9811 55.1949 18.1617 179.5595 58 S 4.1419 7.9756 112.4718 60.5879 62.0174 175.2721 59 L 4.5169 7.5763 120.7548 53.8809 41.8593 176.4505 60 N 4.4361 8.3679 115.1941 54.4721 36.7750 174.8899 61 L 4.6192 7.1100 119.3814 54.1927 39.8636 176.0938 62 D 4.4932 8.0190 119.8100 55.5467 42.8962 175.5580 63 Y 4.2899 8.8798 120.8903 56.1793 39.1559 173.4092 64 I 4.8175 7.7291 126.4108 59.4159 39.9375 174.8121 65 V 4.6526 8.4410 125.6757 61.2422 35.3308 173.7477 66 I 4.5575 8.9662 128.8367 60.1204 39.1296 174.5102 67 T 5.2542 9.0901 125.0562 61.6836 71.3377 173.6864 68 S 5.2223 9.1570 121.4697 57.0437 65.5219 173.2289 69 V 4.9913 9.2785 122.8593 61.1589 34.7127 173.9437 70 K 4.9200 9.5299 127.4172 54.8645 33.9806 175.2953 71 A 5.2037 8.5622 126.8807 50.0027 20.8742 176.7660 72 K 4.4045 8.6785 120.5563 57.0773 33.5151 176.7439 73 Y 4.2726 8.8529 119.5290 58.3164 39.0013 174.4787 74 G 3.6760 9.8018 110.0062 45.5620 0.0000 176.1421 75 K 4.6037 7.8740 120.9192 57.0419 27.7810 173.2563 76 N 4.3255 8.3101 117.4247 52.4126 35.8582 175.7218 77 Y 4.6452 7.8565 118.8063 62.5654 37.6798 178.2679 78 H 4.2378 8.4797 118.9759 59.8384 29.0020 178.7902 79 V 3.7725 7.7800 120.5399 66.0314 31.4861 180.0433 80 E 4.2898 8.0827 119.0139 59.2991 29.3095 179.1598 81 L 4.0121 8.0897 120.5228 57.7994 42.1127 179.1995 82 G 3.0348 7.6888 105.8727 47.8247 0.0000 175.5013 83 N 4.4121 7.4813 116.3264 55.5093 38.3969 177.5063 84 K 4.0920 7.6953 119.8909 59.2617 32.0781 179.3845 85 L 3.9735 7.9231 119.2093 57.6269 41.3411 179.2356 86 A 4.1263 7.7608 119.3297 53.9583 18.3996 178.5249 87 Q 4.3292 7.3707 113.1896 55.5615 29.7469 176.0993 88 I 3.9077 7.1955 123.6617 60.4183 37.7088 173.7776 89 P 4.5133 0.0000 0.0000 64.2391 31.7887 176.6321 90 G 3.6499 9.1901 111.3166 44.9521 0.0000 172.8526 91 V 4.3336 7.5064 120.0964 61.7770 31.6278 175.2347 92 W 4.8180 8.3064 124.3545 56.4483 29.7240 176.3622 93 G 3.6916 7.0620 107.7741 44.4104 0.0000 171.9154 94 V 4.7979 7.4916 123.1831 61.4834 34.5299 173.5832 95 Y 5.0076 9.0890 124.9182 56.2116 42.1491 173.9926 96 F 4.8866 9.1224 125.0913 56.6657 41.1487 175.0726 97 V 4.3891 7.5144 119.0034 59.3078 34.9339 174.4961 98 L 4.6637 8.6446 125.2091 53.8161 42.6586 173.5191 99 G 3.7974 9.2728 120.2763 46.3650 0.0000 175.9801 100 D 4.0877 8.2088 123.6849 53.6425 41.1741 178.4538 101 N 4.2947 7.5489 113.6602 52.7130 36.5322 171.7488 102 D 4.5784 6.5215 115.8393 52.3695 44.0305 175.1410 103 F 5.1638 9.1441 117.5477 56.8941 40.9053 175.3191 104 I 4.9126 9.1393 124.0498 59.6362 39.7083 174.5977 105 V 4.8099 9.2945 128.1504 61.3166 34.1447 173.9220 106 M 4.6116 8.4512 127.8603 53.5891 33.7705 175.0769 107 A 5.0471 8.4711 124.1289 50.3886 23.5367 174.7971 108 R 5.0094 8.3303 117.4245 54.8254 33.9497 174.6342 109 Y 4.8583 9.0421 119.7691 56.3177 42.4972 176.7283 110 K 4.8186 9.9756 121.2397 59.0542 32.5586 177.9226 111 T 4.7580 7.5415 107.2321 58.8904 73.1844 174.5408 112 R 2.5100 7.9724 119.9306 59.0881 29.8941 177.9480 113 E 3.8513 7.9520 117.7700 59.4004 29.5196 178.8296 114 E 3.8353 7.9090 118.6424 59.1942 29.7057 178.3992 115 F 3.0553 7.9969 120.5709 61.3772 39.3714 177.0388 116 M 3.6047 8.0672 118.2721 58.1660 31.5274 178.4740 117 E 3.8704 7.8468 118.1391 59.2132 29.9536 178.5086 118 K 4.1250 8.1512 117.2662 58.5522 32.5644 177.2956 119 F 4.3482 7.6936 118.9836 59.3430 40.4188 176.9830 120 L 3.6487 6.8352 118.7082 58.4463 41.7552 179.0043 121 E 3.7970 8.1949 117.5018 59.4645 29.6214 179.3135 122 R 3.8706 7.5698 117.8915 59.4274 30.3945 178.5584 123 V 3.3227 7.5716 118.3697 66.1761 31.1706 177.9022 124 M 4.0742 7.9245 118.0125 57.8724 31.8435 178.0442 125 S 4.4853 7.4581 112.3251 58.2111 63.3903 174.2174 126 I 3.9281 7.1143 125.4438 60.0982 37.0142 174.9785 127 P 4.2540 0.0000 0.0000 65.7537 31.5623 177.4837 128 E 3.7562 8.0976 118.1984 58.9116 30.5875 177.7232 129 V 3.8252 7.2012 118.9441 63.5352 31.4042 175.7693 130 E 4.2159 9.6869 130.8433 58.7407 29.8007 176.4931 131 R 4.9283 7.7156 116.1402 55.4521 35.1060 173.2440 132 T 5.2020 8.2513 109.4912 60.8589 72.5630 173.5540 133 S 4.4894 9.1243 116.9028 57.3857 65.5401 172.4239 134 A 5.0628 8.7674 130.0361 50.6923 20.4221 175.7432 135 Q 4.3728 9.4365 123.8357 54.6945 30.6297 175.3127 136 V 4.0459 8.1988 124.9532 61.9938 32.3605 175.4402 137 V 3.8545 8.2793 129.4546 62.7413 31.3977 176.1322 138 V 4.1363 8.3499 120.4957 61.0504 32.5203 176.0237 139 K 4.2272 7.5645 120.3725 55.5180 34.6220 174.6373 140 I 4.2675 8.2567 128.0848 59.9942 36.9947 175.5282 141 I 3.9802 8.2824 127.5827 63.6571 37.5039 176.7775 142 K 4.4204 7.6166 117.1541 55.8604 34.5629 175.0530 143 E 4.6789 8.2702 124.6032 55.9395 31.0683 174.4200 144 S 4.6411 7.9070 122.5917 55.6685 63.5153 173.4365 145 P 4.4058 0.0000 0.0000 65.0128 31.8284 178.4973 146 N 4.2283 7.8498 115.7876 55.1605 37.3766 175.1668 147 I 3.7455 7.1341 119.7299 60.5369 35.6295 175.4980 148 V 4.1639 8.0330 117.9658 61.0150 32.8066 176.2817 149 I 4.4215 7.9518 120.8768 59.6009 38.2063 175.6151 150 F 4.3584 9.0069 123.3749 57.5152 39.0200 175.9961 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 M 8.29 4.66 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 D 8.45 4.89 0.00 2.86 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 3 E 9.60 3.94 0.00 2.03 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 2.39 2.37 0.00 4 I 7.81 3.75 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.51 0.93 0.00 0.00 5 D 8.63 4.38 0.00 2.84 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 6 L 7.81 4.08 0.00 1.91 1.73 0.93 1.17 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 7 R 7.84 3.96 0.00 2.02 1.97 0.00 3.59 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 8 I 7.67 3.84 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 1.53 0.83 0.94 0.00 0.00 9 L 8.34 3.96 0.00 1.76 1.68 0.90 0.80 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 10 K 8.23 3.91 0.00 1.89 2.02 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.55 7.81 11 I 7.34 4.12 2.09 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 1.02 0.00 0.00 12 L 8.24 4.36 0.00 1.72 1.84 1.05 1.17 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 13 Q 8.16 3.95 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 1.73 0.00 14 Y 7.19 4.55 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.61 0.00 2.55 2.44 0.00 0.00 7.22 7.24 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 16 A 8.60 4.49 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 17 K 8.35 4.36 0.00 1.74 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 18 Y 7.61 4.53 0.00 3.01 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 19 S 8.94 4.77 0.00 4.03 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 20 L 8.51 4.07 0.00 1.72 1.79 0.93 1.09 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 21 D 8.08 4.35 0.00 2.77 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 22 E 8.11 3.88 0.00 1.99 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 2.34 2.40 0.00 23 I 7.55 3.52 1.86 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 1.33 0.70 0.89 0.00 0.00 24 A 7.99 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.81 0.00 1.81 2.10 0.00 3.24 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 26 E 8.03 4.03 0.00 2.01 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 2.25 2.27 0.00 27 I 8.16 3.84 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 1.50 0.79 0.91 0.00 0.00 28 R 8.16 3.85 0.00 1.96 2.02 0.00 3.11 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 29 I 7.21 4.72 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.98 0.00 0.00 30 P 0.00 4.30 0.00 2.18 2.03 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 K 8.75 3.99 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.67 7.81 32 S 8.02 4.19 0.00 4.10 4.11 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 33 T 7.75 4.03 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 1.28 0.00 0.00 34 L 8.08 3.94 0.00 1.79 1.89 0.94 0.65 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 35 S 8.28 4.12 0.00 3.96 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 36 Y 7.95 4.07 0.00 3.17 3.20 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 37 R 8.34 3.68 0.00 2.06 1.96 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 38 I 8.13 3.71 1.89 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 1.56 1.27 0.99 0.00 0.00 39 K 8.03 4.30 0.00 1.89 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 40 K 7.84 3.79 0.00 1.25 1.66 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.34 7.81 41 L 7.98 3.93 0.00 1.85 1.65 0.90 0.75 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 42 E 7.97 4.35 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 2.36 2.55 0.00 43 K 7.84 4.03 0.00 1.83 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.60 7.81 44 D 8.18 4.59 0.00 2.65 2.69 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 45 G 7.58 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 46 V 7.70 3.51 2.13 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 0.75 0.00 0.00 0.90 0.00 0.00 47 I 7.40 4.03 1.75 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.42 0.00 0.00 48 K 8.38 4.05 0.00 1.63 1.82 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.37 7.81 49 G 6.19 3.73 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 0.00 0.00 0.00 50 Y 8.05 4.42 0.00 2.92 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 51 Y 8.38 5.10 0.00 2.94 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 52 A 8.47 4.49 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 53 Y 8.55 4.52 0.00 2.87 2.95 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 54 I 7.71 3.90 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.78 0.00 0.00 55 N 8.19 4.00 0.00 2.59 2.58 0.00 0.00 7.19 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 56 P 0.00 4.15 0.00 2.15 2.05 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 57 A 8.04 4.01 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 58 S 7.98 4.14 0.00 3.98 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 59 L 7.58 4.52 0.00 1.80 1.62 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.37 4.44 0.00 2.94 2.91 0.00 0.00 7.05 6.66 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 61 L 7.11 4.62 0.00 1.93 1.64 0.87 0.93 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 62 D 8.02 4.49 0.00 2.72 2.95 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 63 Y 8.88 4.29 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.73 4.82 1.81 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 1.21 0.77 1.02 0.00 0.00 65 V 8.44 4.65 1.80 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 0.82 0.00 0.00 0.18 0.00 0.00 66 I 8.97 4.56 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.89 0.00 0.00 67 T 9.09 5.25 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 1.47 0.00 0.00 68 S 9.16 5.22 0.00 3.89 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 69 V 9.28 4.99 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 1.15 0.00 0.00 1.07 0.00 0.00 70 K 9.53 4.92 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 71 A 8.56 5.20 1.14 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 0.00 0.00 72 K 8.68 4.40 0.00 1.85 1.95 0.00 1.36 0.00 0.00 0.92 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.07 7.81 73 Y 8.85 4.27 0.00 3.02 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 74 G 9.80 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 75 K 7.87 4.60 0.00 1.84 1.77 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.05 7.81 76 N 8.31 4.33 0.00 2.74 2.82 0.00 0.00 6.77 7.57 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 77 Y 7.86 4.65 0.00 3.15 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 78 H 8.48 4.24 0.00 3.07 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.78 3.77 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 0.86 0.00 0.00 0.93 0.00 0.00 80 E 8.08 4.29 0.00 2.03 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 2.35 2.56 0.00 81 L 8.09 4.01 0.00 1.88 1.89 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.69 3.03 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 0.00 0.00 0.00 83 N 7.48 4.41 0.00 2.73 2.86 0.00 0.00 7.14 7.49 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 84 K 7.70 4.09 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.67 7.81 85 L 7.92 3.97 0.00 1.62 1.62 0.52 0.69 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 86 A 7.76 4.13 1.25 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 0.00 0.00 87 Q 7.37 4.33 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 88 I 7.20 3.91 2.12 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 1.15 0.00 0.00 89 P 0.00 4.51 0.00 2.17 2.08 0.00 3.73 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 2.08 2.13 0.00 90 G 9.19 3.65 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 0.00 0.00 0.00 91 V 7.51 4.33 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 0.82 0.00 0.00 1.19 0.00 0.00 92 W 8.31 4.82 0.00 3.39 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 93 G 7.06 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 94 V 7.49 4.80 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 0.73 0.00 0.00 0.83 0.00 0.00 95 Y 9.09 5.01 0.00 2.93 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 96 F 9.12 4.89 0.00 2.95 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 97 V 7.51 4.39 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 0.67 0.00 0.00 0.78 0.00 0.00 98 L 8.64 4.66 0.00 1.58 1.55 1.03 1.10 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 99 G 9.27 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 0.00 100 D 8.21 4.09 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.55 4.29 0.00 2.71 3.05 0.00 0.00 6.74 7.94 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 0.00 102 D 6.52 4.58 0.00 2.98 2.74 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 0.00 0.00 0.00 0.00 103 F 9.14 5.16 0.00 3.08 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 0.00 104 I 9.14 4.91 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.29 0.95 0.00 0.00 105 V 9.29 4.81 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 0.88 0.00 0.00 1.03 0.00 0.00 106 M 8.45 4.61 0.00 0.97 0.57 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.30 0.00 107 A 8.47 5.05 1.11 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 0.00 0.00 108 R 8.33 5.01 0.00 1.57 1.77 0.00 3.10 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 109 Y 9.04 4.86 0.00 3.10 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 0.00 110 K 9.98 4.82 0.00 1.91 1.93 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.47 7.81 111 T 7.54 4.76 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 1.24 0.00 0.00 112 R 7.97 2.51 0.00 1.33 1.71 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 113 E 7.95 3.85 0.00 2.04 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 2.37 2.39 0.00 114 E 7.91 3.84 0.00 2.09 2.18 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 2.46 2.40 0.00 115 F 8.00 3.06 0.00 3.17 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 0.00 116 M 8.07 3.60 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.95 0.00 117 E 7.85 3.87 0.00 1.87 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 2.25 2.28 0.00 118 K 8.15 4.13 0.00 1.59 1.94 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 119 F 7.69 4.35 0.00 3.03 2.49 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 0.00 120 L 6.84 3.65 0.00 0.87 1.45 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.19 3.80 0.00 1.86 1.90 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 2.26 2.29 0.00 122 R 7.57 3.87 0.00 1.72 1.84 0.00 3.11 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 123 V 7.57 3.32 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 0.81 0.00 0.00 -0.02 0.00 0.00 124 M 7.92 4.07 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.50 0.00 125 S 7.46 4.49 0.00 3.91 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 0.00 126 I 7.11 3.93 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.18 0.91 0.00 0.00 127 P 0.00 4.25 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 128 E 8.10 3.76 0.00 1.87 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 2.35 2.15 0.00 129 V 7.20 3.83 2.22 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 0.69 0.00 0.00 0.88 0.00 0.00 130 E 9.69 4.22 0.00 2.02 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 0.00 2.39 2.37 0.00 131 R 7.72 4.93 0.00 1.76 1.79 0.00 3.33 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 132 T 8.25 5.20 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 1.25 0.00 0.00 133 S 9.12 4.49 0.00 3.93 3.76 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 0.00 134 A 8.77 5.06 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 0.00 135 Q 9.44 4.37 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 136 V 8.20 4.05 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 0.34 0.00 0.00 0.71 0.00 0.00 137 V 8.28 3.85 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 0.80 0.00 0.00 0.90 0.00 0.00 138 V 8.35 4.14 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 0.67 0.00 0.00 0.89 0.00 0.00 139 K 7.56 4.23 0.00 1.64 1.63 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.51 7.81 140 I 8.26 4.27 1.89 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 1.44 0.72 0.94 0.00 0.00 141 I 8.28 3.98 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.92 0.00 0.00 142 K 7.62 4.42 0.00 1.69 1.65 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.41 7.81 143 E 8.27 4.68 0.00 1.96 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 2.13 2.29 0.00 144 S 7.91 4.64 0.00 3.80 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 0.00 145 P 0.00 4.41 0.00 2.17 2.20 0.00 3.62 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 1.88 1.76 0.00 146 N 7.85 4.23 0.00 2.65 2.84 0.00 0.00 6.08 7.81 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 0.00 147 I 7.13 3.75 1.57 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 0.92 0.41 -0.10 0.00 0.00 148 V 8.03 4.16 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 0.71 0.00 0.00 0.90 0.00 0.00 149 I 7.95 4.42 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.94 0.00 0.00 150 F 9.01 4.36 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00