NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6515 8.4249 119.2143 51.5860 41.2403 175.3120 -4 L 4.5630 7.6048 119.1378 51.0130 45.2158 173.7864 -3 Y 4.9295 8.2092 117.5525 55.2855 41.7518 174.4728 -2 F 4.7760 8.4897 118.0079 54.4032 42.5321 175.4255 -1 Q 4.1265 8.7445 123.4803 57.2230 27.6080 175.6724 0 G 3.6485 8.3770 117.5404 45.2858 0.0000 171.1588 -3 K 4.6995 8.3792 117.6525 53.5855 37.0518 175.1729 -2 R 4.4960 8.4197 118.2079 52.7032 33.8321 175.9255 -1 H 4.5165 8.8445 121.8803 56.5230 27.2080 173.7724 0 Y 4.2385 8.1670 129.0404 58.0858 35.2062 172.1588 6 I 4.7059 8.6339 124.6806 59.5472 40.2967 174.4576 7 F 5.4010 9.1344 126.5141 56.2692 40.8067 174.7463 8 A 5.3673 9.0372 125.8006 50.1691 21.8700 174.9872 9 S 5.1661 9.1630 116.5644 56.6546 67.3576 173.1042 10 H 4.5193 9.8476 119.2387 57.0245 28.9036 177.6776 11 G 3.9544 9.0446 113.1203 46.0906 0.0000 174.6630 12 S 4.7051 8.5001 118.3202 58.3236 63.3616 175.1074 13 F 4.3465 8.3929 125.7914 62.0974 38.9802 176.7371 14 A 3.8646 8.3518 120.3821 55.4320 18.1910 179.4016 15 N 4.4837 8.2988 114.5294 56.3637 38.6757 177.7950 16 G 3.6838 8.3477 107.2457 47.7158 0.0000 175.5377 17 L 4.0459 8.5782 123.3955 57.7487 42.0590 178.6189 18 L 4.1750 8.1362 120.3890 58.2539 41.9509 178.4015 19 N 4.2832 8.2988 116.7922 56.9053 38.7131 176.6841 20 S 4.1384 8.0387 116.4061 61.8743 62.9886 176.9852 21 V 3.6207 7.9787 120.6001 66.2424 31.3227 177.9214 22 E 4.8294 8.3738 119.5300 58.6523 29.0975 179.1772 23 L 4.0998 8.0592 118.3124 56.7962 41.6296 178.6340 24 I 4.2299 7.1652 118.4385 62.6865 38.1208 176.6796 25 L 4.3836 8.2773 116.1620 53.9956 42.1029 177.5054 26 G 3.9641 7.9067 106.8250 44.4083 0.0000 173.3899 27 K 4.3911 8.2741 117.6792 56.7952 32.4021 177.7546 28 Q 4.4530 8.9946 121.4627 53.0843 29.4373 174.2823 29 P 4.2227 0.0000 0.0000 64.9803 31.8090 177.6001 30 D 4.8310 8.0513 117.2251 54.0410 40.8901 175.2776 31 I 4.9771 7.1723 120.7918 59.9535 38.8656 174.9234 32 H 5.0980 8.6192 123.2238 54.0377 32.4265 172.6708 33 T 5.0883 8.5253 110.9887 59.8097 71.6504 173.1483 34 L 4.6507 9.2849 125.6924 53.7725 44.8197 174.9929 35 C 5.1376 8.8050 124.8691 58.1643 29.4313 173.4312 36 A 4.1971 9.0587 127.1846 51.4579 20.0768 176.6184 37 Y 3.9016 7.9061 116.2288 59.5897 35.4562 171.4312 38 V 4.1711 8.0461 112.3173 61.8445 32.5115 177.1237 39 E 4.4803 7.9249 120.0135 55.3737 31.7346 180.8401 40 E 4.1346 9.1540 124.8253 58.6518 29.8858 176.1272 41 E 4.1344 8.1747 112.5194 58.3982 30.0573 181.1312 42 V 4.0577 7.6487 118.1943 61.9761 32.2676 175.4888 43 D 4.5845 8.4936 126.8448 53.7571 42.8631 176.5619 44 L 3.8550 8.4624 128.0277 58.4330 42.2338 179.0626 45 T 4.0017 7.8599 116.5994 66.1463 68.3323 176.1013 46 Q 3.9137 8.5752 121.4497 58.9893 28.9166 177.9050 47 Q 3.9017 8.1097 120.6285 59.2045 29.1486 178.6294 48 V 3.4257 7.9401 119.3951 66.0214 31.5700 177.8452 49 E 4.1558 8.3628 118.2766 59.4207 29.0911 179.2402 50 A 3.9786 8.0580 120.0035 54.9961 18.5269 179.1382 51 L 4.0577 7.7308 118.8158 58.4081 42.2522 179.4553 52 V 3.6715 7.9500 117.9999 65.8314 31.1404 177.8040 53 A 4.1112 7.8326 119.5171 54.6890 18.2380 179.4539 54 R 3.8505 7.4963 115.9742 57.7502 30.4266 177.1964 55 F 4.1949 7.3711 117.1541 55.6671 39.9256 173.8291 56 P 4.2703 0.0000 0.0000 62.7546 31.5915 177.4099 57 A 4.1879 8.6307 125.3122 54.3728 18.4904 178.1337 58 Q 4.3292 8.0116 112.0991 56.9649 29.4748 175.2941 59 D 4.8835 7.5189 118.1799 52.8038 43.2919 175.6679 60 E 4.5322 8.4010 119.8081 55.6623 30.8779 175.8548 61 L 4.4032 8.7760 126.0695 53.3389 44.8523 175.1462 62 I 4.4934 7.8920 127.9924 59.6932 39.2693 174.6417 63 V 4.4085 8.2722 128.6107 61.1705 33.4203 174.5744 64 I 4.9157 8.8432 129.2290 59.8936 39.2214 175.0235 65 T 4.9400 8.8801 118.5617 60.0918 70.9525 175.6220 66 D 4.5481 8.7785 122.8889 56.3961 40.2871 176.5485 67 I 4.5805 7.5421 116.6493 59.0198 41.3000 173.6627 68 F 4.2103 9.3155 129.8439 61.4392 39.3596 176.7092 69 A 4.1186 8.3132 120.6048 53.6176 18.5019 177.0686 70 G 4.1884 7.6074 105.2718 43.7025 0.0000 175.1532 71 S 4.1615 8.7000 114.6862 61.4108 62.3798 177.4177 72 V 3.5926 7.6432 119.7418 65.9462 31.7783 176.9812 73 N 4.6023 8.2777 116.2268 57.1679 38.5193 175.9611 74 N 4.2038 8.2620 117.6619 56.8930 38.1716 177.1781 75 E 3.8957 8.1026 119.5253 58.9037 29.4602 178.7828 76 F 4.7785 8.6803 117.4190 59.0358 39.2979 177.8937 77 V 3.7065 7.5992 118.7049 65.9627 31.0018 177.7919 78 R 3.7422 7.7987 114.4874 59.0836 29.0705 177.6721 79 F 4.3329 7.6736 116.2268 57.4928 38.7453 177.3082 80 L 4.1970 7.7120 119.8343 57.4265 41.5477 178.1658 81 S 4.5075 7.8315 110.3706 58.1548 63.8118 174.1397 82 R 4.0612 7.9764 123.8823 55.2735 30.3799 173.8469 83 P 4.1205 0.0000 0.0000 64.6895 31.8798 175.5642 84 H 4.1917 8.8501 117.1681 56.7092 26.2664 173.2117 85 F 5.1347 7.7791 121.5282 57.0391 40.8597 174.7761 86 H 4.7655 8.3861 122.5882 53.7432 32.3470 171.9829 87 L 4.9851 8.6088 124.8053 53.1263 44.4297 175.2432 88 L 5.0395 9.3290 126.3721 52.8344 45.1017 175.5575 89 S 5.1256 8.4774 116.6636 56.2339 65.6724 174.3256 90 G 4.1527 9.1407 109.6087 45.3465 0.0000 173.8752 91 L 3.6745 7.5146 117.3259 55.2531 42.5171 177.7744 92 N 4.7216 7.9647 118.1905 50.8188 40.7897 175.6284 93 L 3.8972 8.2145 123.0529 57.8221 42.3556 177.1804 94 P 4.1821 0.0000 0.0000 65.7326 31.0103 177.6795 95 L 3.8813 8.3696 120.1855 58.2506 41.9565 179.2236 96 I 3.6260 7.3597 119.4595 64.2940 36.9612 178.4457 97 I 3.6549 7.8857 120.8310 64.4145 36.9883 177.9675 98 D 4.2692 8.1970 118.7101 57.3157 40.8662 178.0148 99 L 3.9919 7.5387 118.1552 58.0955 41.8253 179.3712 100 L 4.1234 7.9867 118.5922 57.7245 41.4143 179.5514 101 I 3.8128 7.9112 118.7364 63.3518 37.1389 177.6000 102 S 4.7008 7.6339 113.9493 58.0604 62.9136 175.6962 103 A 4.0249 7.6820 126.5162 54.7313 18.2415 179.5331 104 A 4.0434 7.9077 117.5917 54.1940 18.7420 176.8773 105 E 3.9352 8.1755 117.2580 56.7274 29.3996 176.4102 106 D 4.4109 8.5838 126.1110 54.6970 40.4116 176.5814 107 N 4.5419 8.4092 119.3902 53.2885 39.1043 175.2326 108 T 3.8881 8.3415 126.2556 66.4043 68.6704 176.6240 109 E 4.0325 8.2100 120.4138 58.8614 29.5986 178.9667 110 K 3.9047 8.4401 119.8259 59.3184 32.3419 178.3079 111 L 3.9343 7.9620 120.6242 58.5764 41.9920 179.1784 112 I 3.7615 7.8226 119.6329 64.5615 36.9924 178.6469 113 T 3.9829 8.0975 110.6940 64.6758 68.6130 176.7165 114 E 3.9256 8.3894 121.3294 59.0548 29.4353 179.1758 115 A 4.7029 8.0303 122.2097 54.5596 18.3938 179.5555 116 L 3.8900 7.9570 117.4854 58.3828 41.6614 179.7895 117 T 3.8526 8.0525 115.5984 66.9008 68.4531 176.4081 118 N 4.3256 8.4784 118.1920 56.0990 38.5670 177.2230 119 A 3.9745 8.4123 122.6105 55.3850 18.2841 179.9756 120 K 4.0259 8.1011 115.5893 59.3996 32.1100 179.2393 121 E 4.1207 7.7967 118.3529 59.2917 29.4614 178.8400 122 S 4.4397 7.8642 112.2685 59.7553 62.5162 174.1430 123 I 3.9095 7.4310 123.0849 61.2846 36.6859 175.0866 124 Q 4.4959 8.2204 121.9905 54.1660 31.1716 174.1886 125 Y 4.7115 8.3732 120.1250 56.7929 39.2547 175.8751 126 C 4.3719 8.5258 127.9723 62.0304 28.1425 175.5623 127 N 4.0609 7.5417 117.0851 55.8420 38.0172 176.3860 128 Q 4.1364 7.1522 117.9476 57.8805 29.6661 177.4217 129 T 4.2486 7.8174 110.2069 62.4462 70.3045 174.6372 130 I 4.3419 7.5018 124.0300 57.2567 35.8666 175.4551 131 A 4.0542 7.6884 125.8761 52.9487 18.9211 176.7763 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 -5 N 8.42 4.65 0.00 2.75 2.83 0.00 0.00 6.84 6.89 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 -4 L 7.60 4.56 0.00 1.48 1.03 0.95 0.27 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 -3 Y 8.21 4.93 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 F 8.49 4.78 0.00 3.13 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 -1 Q 8.74 4.13 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 0 G 8.38 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 -3 K 8.38 4.70 0.00 1.70 1.55 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.48 7.81 -2 R 8.42 4.50 0.00 1.85 1.67 0.00 2.21 0.00 0.00 3.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 -1 H 8.84 4.52 0.00 3.28 3.33 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 Y 8.17 4.24 0.00 2.96 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 6 I 8.63 4.71 1.67 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 1.19 0.40 0.92 0.00 0.00 7 F 9.13 5.40 0.00 2.80 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 8 A 9.04 5.37 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 9 S 9.16 5.17 0.00 3.99 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 10 H 9.85 4.52 0.00 3.14 3.52 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.04 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 12 S 8.50 4.71 0.00 4.13 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 0.00 13 F 8.39 4.35 0.00 3.04 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 14 A 8.35 3.86 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 15 N 8.30 4.48 0.00 2.93 2.93 0.00 0.00 6.98 7.58 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 16 G 8.35 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 17 L 8.58 4.05 0.00 1.86 1.59 0.91 -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 0.00 0.00 0.00 0.00 18 L 8.14 4.18 0.00 2.08 1.95 0.86 0.52 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 19 N 8.30 4.28 0.00 2.98 3.05 0.00 0.00 7.22 7.05 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 20 S 8.04 4.14 0.00 4.13 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 21 V 7.98 3.62 2.34 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 1.05 0.00 0.00 1.03 0.00 0.00 22 E 8.37 4.83 0.00 2.07 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 0.00 2.45 2.47 0.00 23 L 8.06 4.10 0.00 1.82 1.74 0.97 0.72 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 24 I 7.17 4.23 1.87 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 1.52 0.54 0.91 0.00 0.00 25 L 8.28 4.38 0.00 1.66 1.65 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.91 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 0.00 0.00 0.00 27 K 8.27 4.39 0.00 1.75 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.41 7.81 28 Q 8.99 4.45 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 29 P 0.00 4.22 0.00 2.18 2.18 0.00 3.75 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 2.00 1.99 0.00 30 D 8.05 4.83 0.00 2.81 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 31 I 7.17 4.98 1.57 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.42 -0.35 0.00 0.00 32 H 8.62 5.10 0.00 3.09 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.53 5.09 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 1.26 0.00 0.00 34 L 9.28 4.65 0.00 1.76 1.67 1.05 0.93 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 35 C 8.80 5.14 0.00 2.91 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 36 A 9.06 4.20 0.68 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 37 Y 7.91 3.90 0.00 3.20 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 38 V 8.05 4.17 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 1.01 0.00 0.00 39 E 7.92 4.48 0.00 1.84 1.79 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 2.22 1.87 0.00 40 E 9.15 4.13 0.00 1.98 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 2.24 1.90 0.00 41 E 8.17 4.13 0.00 1.98 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 2.23 1.87 0.00 42 V 7.65 4.06 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 0.87 0.00 0.00 0.94 0.00 0.00 43 D 8.49 4.58 0.00 2.84 2.51 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 44 L 8.46 3.85 0.00 1.69 1.64 0.71 0.86 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 45 T 7.86 4.00 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 1.16 0.00 0.00 46 Q 8.58 3.91 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 47 Q 8.11 3.90 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 48 V 7.94 3.43 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 0.02 0.00 0.00 0.55 0.00 0.00 49 E 8.36 4.16 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 2.50 2.43 0.00 50 A 8.06 3.98 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 51 L 7.73 4.06 0.00 1.91 1.93 1.01 1.35 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 52 V 7.95 3.67 1.41 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 0.16 0.00 0.00 0.72 0.00 0.00 53 A 7.83 4.11 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 54 R 7.50 3.85 0.00 1.37 1.63 0.00 3.05 0.00 0.00 3.02 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 55 F 7.37 4.19 0.00 2.95 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 56 P 0.00 4.27 0.00 2.33 2.00 0.00 3.63 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 2.13 2.07 0.00 57 A 8.63 4.19 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 Q 8.01 4.33 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 59 D 7.52 4.88 0.00 2.78 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 60 E 8.40 4.53 0.00 1.83 1.72 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 2.27 2.20 0.00 61 L 8.78 4.40 0.00 1.55 1.40 -0.05 0.61 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 62 I 7.89 4.49 1.76 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 1.05 0.40 0.90 0.00 0.00 63 V 8.27 4.41 1.60 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 -0.08 0.00 0.00 0.53 0.00 0.00 64 I 8.84 4.92 1.80 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.79 0.00 0.00 65 T 8.88 4.94 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 1.18 0.00 0.00 66 D 8.78 4.55 0.00 3.16 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 67 I 7.54 4.58 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.04 0.00 0.00 68 F 9.32 4.21 0.00 3.19 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 69 A 8.31 4.12 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 70 G 7.61 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.70 4.16 0.00 4.11 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 72 V 7.64 3.59 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 1.07 0.00 0.00 0.76 0.00 0.00 73 N 8.28 4.60 0.00 3.08 2.85 0.00 0.00 7.06 6.71 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 74 N 8.26 4.20 0.00 2.95 2.84 0.00 0.00 7.14 7.18 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 75 E 8.10 3.90 0.00 1.85 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 2.48 2.36 0.00 76 F 8.68 4.78 0.00 3.31 3.44 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 77 V 7.60 3.71 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 1.06 0.00 0.00 0.99 0.00 0.00 78 R 7.80 3.74 0.00 1.57 1.73 0.00 2.21 0.00 0.00 2.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 79 F 7.67 4.33 0.00 1.53 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 0.00 0.00 0.00 80 L 7.71 4.20 0.00 1.71 1.83 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.83 4.51 0.00 3.96 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 82 R 7.98 4.06 0.00 1.91 2.05 0.00 3.11 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 83 P 0.00 4.12 0.00 1.89 1.76 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 84 H 8.85 4.19 0.00 3.52 3.36 0.00 5.62 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 85 F 7.78 5.13 0.00 2.98 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 86 H 8.39 4.77 0.00 2.85 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.61 4.99 0.00 1.80 1.66 0.97 1.24 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 88 L 9.33 5.04 0.00 1.66 1.49 0.89 0.78 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 89 S 8.48 5.13 0.00 4.11 4.19 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 0.00 0.00 0.00 0.00 90 G 9.14 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 0.00 0.00 0.00 0.00 91 L 7.51 3.67 0.00 1.42 1.50 -0.15 0.14 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 92 N 7.96 4.72 0.00 2.94 2.89 0.00 0.00 5.91 6.67 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 93 L 8.21 3.90 0.00 1.77 1.68 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.18 0.00 2.28 2.29 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 95 L 8.37 3.88 0.00 1.81 1.92 0.90 1.12 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 96 I 7.36 3.63 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.21 0.96 0.00 0.00 97 I 7.89 3.65 1.98 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 1.55 0.83 0.89 0.00 0.00 98 D 8.20 4.27 0.00 2.89 2.64 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 0.00 0.00 0.00 99 L 7.54 3.99 0.00 1.78 1.72 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.99 4.12 0.00 1.63 1.64 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.91 3.81 1.93 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 1.51 0.54 0.91 0.00 0.00 102 S 7.63 4.70 0.00 3.91 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 0.00 103 A 7.68 4.02 1.41 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 0.00 0.00 0.00 104 A 7.91 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 0.00 105 E 8.18 3.94 0.00 1.95 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 2.33 2.45 0.00 106 D 8.58 4.41 0.00 2.84 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 0.00 107 N 8.41 4.54 0.00 2.80 2.93 0.00 0.00 7.05 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 0.00 108 T 8.34 3.89 4.14 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 0.96 0.00 0.00 109 E 8.21 4.03 0.00 2.20 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 2.43 2.47 0.00 110 K 8.44 3.90 0.00 1.92 2.00 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 111 L 7.96 3.93 0.00 1.79 1.85 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.82 3.76 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.91 0.00 0.00 113 T 8.10 3.98 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 1.27 0.00 0.00 114 E 8.39 3.93 0.00 2.13 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 0.00 2.33 2.44 0.00 115 A 8.03 4.70 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 0.00 116 L 7.96 3.89 0.00 1.86 1.72 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.05 3.85 4.37 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 1.21 0.00 0.00 118 N 8.48 4.33 0.00 2.93 2.85 0.00 0.00 6.94 8.85 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 0.00 119 A 8.41 3.97 1.42 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 0.00 0.00 0.00 120 K 8.10 4.03 0.00 1.72 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 121 E 7.80 4.12 0.00 2.08 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 2.52 2.45 0.00 122 S 7.86 4.44 0.00 3.89 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 0.00 123 I 7.43 3.91 1.87 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 1.36 0.78 0.92 0.00 0.00 124 Q 8.22 4.50 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 125 Y 8.37 4.71 0.00 2.95 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 0.00 126 C 8.53 4.37 0.00 2.99 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 0.00 127 N 7.54 4.06 0.00 1.52 2.54 0.00 0.00 6.89 7.69 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 0.00 128 Q 7.15 4.14 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 129 T 7.82 4.25 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 1.26 0.00 0.00 130 I 7.50 4.34 1.92 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 1.20 0.57 0.88 0.00 0.00 131 A 7.69 4.05 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00