NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8711 8.3544 109.7371 45.9109 0.0000 171.4599 2 L 4.0412 7.7683 119.6905 53.8792 44.5100 169.9319 3 E 4.4112 8.5390 120.6731 54.9314 32.6781 174.8264 4 C 4.4136 8.5481 131.2813 59.1348 30.8030 172.2956 5 D 4.7210 7.6589 119.1369 53.5312 43.2459 178.6438 6 G 3.8807 8.4183 112.7950 45.5958 0.0000 175.2997 7 K 4.3070 8.5183 120.3658 54.5046 31.3657 173.0497 8 V 3.7102 7.3663 119.1797 63.5993 31.2495 175.6363 9 N 5.0101 8.7255 118.5640 52.3765 38.1801 173.5795 10 I 4.6814 7.3244 113.6548 59.7185 40.2655 176.8457 11 C 4.3264 8.8960 119.6695 58.1572 38.4292 173.4883 12 C 4.0539 8.4069 114.8389 58.4227 30.5409 173.4572 13 K 5.2038 8.4254 121.9085 55.3245 32.7110 176.5339 14 K 4.2084 7.8647 130.0190 54.3620 32.7921 173.3761 15 Q 4.1782 8.7585 126.8496 56.2906 29.9298 175.7974 16 F 5.1606 8.6093 124.2696 57.4810 43.0972 171.9447 17 F 4.4921 9.4587 128.6710 56.2960 40.6919 174.3990 18 V 3.8458 7.5193 127.2303 60.8906 33.6779 174.2670 19 S 4.6596 8.2089 122.0597 56.3068 63.6282 174.6958 20 F 4.2126 7.7872 127.1258 60.4022 39.4793 177.6703 21 K 3.9369 8.3399 122.0922 59.6845 31.9417 178.1565 22 D 4.6465 8.0874 115.6609 55.6122 40.6992 176.6315 23 I 4.1552 7.5586 117.5043 60.1585 39.9518 176.0133 24 G 4.2329 8.7971 108.0301 45.3096 0.0000 174.4355 25 W 4.9015 8.3753 118.2657 57.2010 29.3677 177.9803 26 N 4.1508 7.7595 118.1327 56.9791 38.6955 175.6667 27 D 4.6409 8.2488 116.7573 56.5750 40.9184 177.5737 28 W 4.8467 8.1874 114.7255 57.4781 29.1115 175.5089 29 I 3.8152 6.7749 120.5696 60.9328 37.6491 173.5819 30 I 3.8692 8.7992 130.0728 62.6025 36.9986 178.6286 31 A 4.6583 9.0032 134.7065 50.6646 22.1132 177.7598 32 P 4.4777 0.0000 0.0000 62.8638 30.2435 177.5844 33 S 3.6789 8.7685 118.1546 60.3572 65.3645 171.6954 34 G 3.2907 8.2131 113.5580 44.5169 0.0000 171.5905 35 Y 4.0879 5.3700 118.9819 54.5970 37.4364 168.8438 36 H 4.3679 7.7186 118.1496 54.3766 28.8208 175.1678 37 A 4.1603 7.6983 126.0428 50.4972 21.0856 176.3481 38 N 4.4722 7.7948 110.8035 56.3519 38.4342 171.1432 39 Y 4.6941 7.2128 112.2645 58.0538 42.6744 171.2406 40 C 5.1826 8.7714 115.7696 55.6485 43.0738 173.6268 41 E 4.6443 7.6320 120.9950 54.1796 32.6653 174.8211 42 G 4.3284 8.5925 117.2972 44.0749 0.0000 171.6004 43 E 4.0893 7.7822 122.1406 56.3358 30.2127 176.9098 44 C 4.9349 8.4379 123.6900 54.8003 40.4756 172.9085 45 P 4.7807 0.0000 0.0000 62.6803 32.2878 175.7013 46 S 4.2364 9.1286 115.5608 59.8687 61.2320 177.4170 *47 H 4.4056 9.5086 108.5630 54.6874 28.0039 177.9699 48 I 4.6118 11.1000 120.7001 61.9747 39.5334 177.7941 49 A 4.0622 8.1945 122.4536 54.5161 18.4313 178.5633 50 G 4.3469 7.8197 102.5317 46.8602 0.0000 174.8703 51 T 4.1342 7.8711 115.9362 65.4563 69.1478 177.0641 52 S 3.8838 7.5549 115.9136 60.0455 62.6097 174.8039 53 G 4.1170 7.9171 107.8548 45.3244 0.0000 174.0136 54 S 4.3090 7.3824 112.9002 57.8662 63.2932 174.3587 55 S 4.2458 8.8694 116.1030 62.0957 62.0519 177.7286 56 L 4.3091 8.3179 118.3936 54.7661 40.4435 179.4734 57 S 4.5235 9.1068 117.3938 60.6000 62.7573 175.7363 58 F 3.9110 8.2105 122.4210 61.9370 39.2378 176.9490 59 H 4.3661 8.6567 116.9262 59.5914 29.6543 176.5506 60 S 4.1085 7.8063 113.7176 61.9138 62.0947 176.3051 61 T 3.7816 8.2694 118.5970 66.6369 68.0910 176.8371 62 V 3.6563 7.6015 118.8836 64.1746 30.8349 177.4715 63 I 3.6849 7.6383 121.6535 63.0725 37.1870 176.9969 64 N 4.5458 8.5037 117.7406 57.4143 38.7373 176.2227 65 H 4.1731 7.9345 117.6863 59.2618 30.1048 175.3398 66 Y 4.1069 9.4414 118.3634 60.2503 37.8287 177.0709 67 R 3.5294 7.9769 123.4318 59.4618 30.5016 178.1394 68 M 4.1904 8.3603 118.2125 57.4601 33.3374 177.1580 69 R 4.4041 8.2924 118.9620 56.7877 29.3019 177.4308 70 G 3.9658 6.6238 105.7048 46.0551 0.0000 171.8568 71 H 4.9787 8.3123 129.8817 54.9646 32.1374 174.2086 72 S 4.6357 9.1322 109.2948 57.6029 62.3658 174.7724 73 P 4.6787 0.0000 0.0000 63.9440 29.7536 176.3286 74 F 4.9442 7.7436 116.9303 59.8013 42.3218 177.7793 75 A 4.2544 7.7069 122.1840 54.3253 18.3026 177.0859 76 N 5.0911 7.9685 112.8769 52.4867 37.6567 175.5231 77 L 4.6295 8.0074 119.1217 53.6215 43.4838 176.5582 78 K 4.0415 8.4158 122.9511 55.6966 32.6617 177.1950 79 S 4.0187 8.7231 118.1664 58.9299 62.2444 172.8440 80 C 4.7819 8.3663 122.8050 56.7197 31.9421 173.6318 81 C 4.7288 8.6265 121.0063 56.3095 42.4789 172.7254 82 V 4.5971 8.7290 119.5778 59.0609 35.9379 172.7672 83 P 4.8053 0.0000 0.0000 63.0678 31.8018 176.7860 84 T 4.7250 10.0086 113.7626 61.6826 70.3589 174.5907 85 K 4.6310 7.7235 125.6288 54.4139 36.4158 179.7738 86 L 5.6951 8.7055 124.5684 51.2886 45.7552 176.1901 87 R 4.5171 8.6851 121.0689 55.1142 31.3867 174.4235 88 P 5.1656 0.0000 0.0000 62.9110 33.4199 174.8188 89 M 4.7731 9.5736 120.0412 53.9576 35.5718 173.6236 90 S 4.9012 8.7929 121.2429 58.4928 63.4178 172.8446 91 M 4.8401 9.3899 128.7078 54.4483 36.4469 174.1755 92 L 5.0313 8.4072 124.1787 55.3499 45.8779 175.4136 93 Y 4.6473 8.0273 123.6139 56.4120 42.1602 172.9185 94 Y 5.7899 8.1847 116.9056 56.0595 38.4949 176.2241 95 D 4.7803 8.5099 125.4315 53.2766 39.7479 176.3123 96 D 4.4811 8.7417 117.0507 55.8636 41.1519 176.8046 97 G 3.8712 8.2046 105.4529 45.8210 0.0000 174.3701 98 Q 3.8613 8.6419 118.2059 56.2765 26.6971 173.0782 99 N 4.8766 8.7698 117.5714 52.4936 41.4048 173.5681 100 I 4.6828 8.1928 120.2266 60.0947 39.0651 175.7204 101 I 4.2553 8.0522 128.3570 59.0433 40.4117 174.8348 102 K 5.0664 8.4896 128.7758 54.7138 32.4957 175.4056 103 K 4.7642 8.6138 125.8873 54.7624 37.1750 175.3496 104 D 5.1517 8.5433 121.4007 52.6585 41.6383 176.6054 105 I 3.8063 8.3517 126.1239 61.3561 37.8995 176.5916 106 Q 4.1286 9.0903 126.3466 55.8763 29.5762 176.9650 107 N 4.3258 7.7945 114.7268 53.7277 35.6296 173.4886 108 M 4.5709 8.1540 122.4945 57.0297 34.0403 175.8663 109 I 4.8093 7.5989 110.6025 59.6922 42.0245 173.6178 110 V 4.6238 7.6783 120.0330 61.8175 32.1473 175.0811 111 E 4.3480 10.7800 130.5100 59.2654 29.4897 177.3370 112 E 4.8508 8.0265 115.9842 54.9111 34.3023 176.9044 113 C 4.9728 8.7419 118.5265 55.8585 41.7957 173.0244 114 G 4.2919 9.7486 107.2055 45.7287 0.0000 171.3499 115 C 5.0299 8.7181 120.1664 56.0164 42.1279 175.0790 *116 S 4.2747 8.4659 117.7002 58.4747 62.6347 173.4172 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 G 8.35 3.87 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 0.00 0.00 0.00 2 L 7.77 4.04 0.00 1.62 1.50 0.90 0.48 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 3 E 8.54 4.41 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.69 0.00 4 C 8.55 4.41 0.00 2.95 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 5 D 7.66 4.72 0.00 2.69 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 6 G 8.42 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 0.00 0.00 0.00 7 K 8.52 4.31 0.00 1.79 1.69 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.99 7.81 8 V 7.37 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 0.95 0.00 0.00 0.92 0.00 0.00 9 N 8.73 5.01 0.00 2.82 2.98 0.00 0.00 5.78 7.68 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 10 I 7.32 4.68 1.86 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 1.28 0.78 0.90 0.00 0.00 11 C 8.90 4.33 0.00 2.94 3.13 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 0.00 0.00 0.00 0.00 12 C 8.41 4.05 0.00 2.95 3.05 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 13 K 8.43 5.20 0.00 1.74 1.86 0.00 1.18 0.00 0.00 2.56 0.00 0.00 3.25 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.25 7.81 14 K 7.86 4.21 0.00 1.47 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.00 7.81 15 Q 8.76 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 16 F 8.61 5.16 0.00 3.19 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 17 F 9.46 4.49 0.00 3.05 2.86 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 18 V 7.52 3.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.05 0.00 0.00 19 S 8.21 4.66 0.00 3.94 3.87 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 20 F 7.79 4.21 0.00 3.17 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 21 K 8.34 3.94 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.59 7.81 22 D 8.09 4.65 0.00 2.81 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 23 I 7.56 4.16 1.53 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.66 0.12 0.00 0.00 24 G 8.80 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 0.00 0.00 0.00 0.00 25 W 8.38 4.90 0.00 3.10 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 0.00 0.00 0.00 0.00 26 N 7.76 4.15 0.00 2.87 2.93 0.00 0.00 7.14 8.35 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 27 D 8.25 4.64 0.00 2.89 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 28 W 8.19 4.85 0.00 3.72 3.41 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 29 I 6.77 3.82 1.30 0.00 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.49 0.00 0.00 30 I 8.80 3.87 1.84 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.11 0.83 0.00 0.00 31 A 9.00 4.66 1.24 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 32 P 0.00 4.48 0.00 2.38 2.27 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 33 S 8.77 3.68 0.00 4.19 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 34 G 8.21 3.29 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 0.00 0.00 0.00 0.00 35 Y 5.37 4.09 0.00 3.07 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 36 H 7.72 4.37 0.00 2.97 3.20 0.00 5.84 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 37 A 7.70 4.16 0.96 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 38 N 7.79 4.47 0.00 3.10 3.15 0.00 0.00 5.92 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 39 Y 7.21 4.69 0.00 3.18 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 40 C 8.77 5.18 0.00 2.86 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 41 E 7.63 4.64 0.00 1.76 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 2.10 2.18 0.00 42 G 8.59 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 0.00 0.00 0.00 0.00 43 E 7.78 4.09 0.00 1.92 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 2.32 2.28 0.00 44 C 8.44 4.93 0.00 3.20 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 45 P 0.00 4.78 0.00 2.17 1.88 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 46 S 9.13 4.24 0.00 4.01 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 *47 H 9.51 4.41 0.00 2.95 3.00 0.00 7.14 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 11.10 4.61 1.86 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 1.22 0.89 0.90 0.00 0.00 49 A 8.19 4.06 1.31 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 0.00 0.00 0.00 50 G 7.82 4.35 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 0.00 51 T 7.87 4.13 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 52 S 7.55 3.88 0.00 3.85 3.97 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 53 G 7.92 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 0.00 0.00 0.00 54 S 7.38 4.31 0.00 4.04 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 55 S 8.87 4.25 0.00 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.32 4.31 0.00 1.74 1.85 0.94 1.17 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 57 S 9.11 4.52 0.00 3.93 3.89 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 0.00 0.00 0.00 0.00 58 F 8.21 3.91 0.00 3.16 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 59 H 8.66 4.37 0.00 3.33 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.81 4.11 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 61 T 8.27 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 62 V 7.60 3.66 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 0.70 0.00 0.00 0.95 0.00 0.00 63 I 7.64 3.68 1.96 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 1.19 0.22 0.74 0.00 0.00 64 N 8.50 4.55 0.00 2.80 2.85 0.00 0.00 6.98 8.31 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 65 H 7.93 4.17 0.00 3.33 3.36 0.00 5.99 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.44 4.11 0.00 2.95 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 67 R 7.98 3.53 0.00 2.05 2.05 0.00 3.53 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 68 M 8.36 4.19 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 3.08 0.00 69 R 8.29 4.40 0.00 1.64 1.85 0.00 3.14 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 70 G 6.62 3.97 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 0.00 0.00 0.00 71 H 8.31 4.98 0.00 3.31 3.72 0.00 5.78 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.13 4.64 0.00 3.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.68 0.00 1.87 1.89 0.00 3.04 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.62 0.00 74 F 7.74 4.94 0.00 3.19 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 A 7.71 4.25 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 76 N 7.97 5.09 0.00 2.81 2.87 0.00 0.00 5.81 7.79 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 77 L 8.01 4.63 0.00 1.72 1.68 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.42 4.04 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 79 S 8.72 4.02 0.00 3.82 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 80 C 8.37 4.78 0.00 3.02 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 81 C 8.63 4.73 0.00 3.11 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 82 V 8.73 4.60 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 0.84 0.00 0.00 0.95 0.00 0.00 83 P 0.00 4.81 0.00 1.97 2.01 0.00 3.65 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 2.08 2.14 0.00 84 T 10.01 4.73 4.25 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 1.25 0.00 0.00 85 K 7.72 4.63 0.00 1.42 1.66 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.04 7.81 86 L 8.71 5.70 0.00 1.60 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.69 4.52 0.00 1.91 2.07 0.00 3.00 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 88 P 0.00 5.17 0.00 2.12 2.41 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 89 M 9.57 4.77 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 90 S 8.79 4.90 0.00 4.35 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 91 M 9.39 4.84 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 92 L 8.41 5.03 0.00 1.66 1.36 0.83 0.64 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 93 Y 8.03 4.65 0.00 3.33 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.18 5.79 0.00 3.12 3.05 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 95 D 8.51 4.78 0.00 2.87 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 96 D 8.74 4.48 0.00 2.64 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 97 G 8.20 3.87 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 0.00 0.00 0.00 98 Q 8.64 3.86 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 99 N 8.77 4.88 0.00 2.58 2.77 0.00 0.00 6.85 7.26 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 0.00 100 I 8.19 4.68 1.84 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 1.24 0.68 0.80 0.00 0.00 101 I 8.05 4.26 0.96 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 0.84 1.03 0.75 0.00 0.00 102 K 8.49 5.07 0.00 1.70 1.69 0.00 1.56 0.00 0.00 2.37 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.22 7.81 103 K 8.61 4.76 0.00 1.91 1.72 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 104 D 8.54 5.15 0.00 2.56 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 0.00 105 I 8.35 3.81 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.89 0.00 0.00 106 Q 9.09 4.13 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 107 N 7.79 4.33 0.00 2.95 3.37 0.00 0.00 6.27 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 0.00 108 M 8.15 4.57 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 109 I 7.60 4.81 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 1.10 0.00 0.00 110 V 7.68 4.62 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 0.82 0.00 0.00 1.04 0.00 0.00 111 E 10.78 4.35 0.00 1.97 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 2.33 2.28 0.00 112 E 8.03 4.85 0.00 1.60 1.74 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 2.19 1.87 0.00 113 C 8.74 4.97 0.00 2.87 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 0.00 114 G 9.75 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 0.00 0.00 0.00 0.00 115 C 8.72 5.03 0.00 2.87 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 S 8.47 4.27 0.00 3.75 3.71 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 * Residues marked with a * may have inaccurate shift predictions.