NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3055 0.0000 0.0000 62.5892 33.4624 174.6019 3 E 4.9637 8.5044 118.8605 53.7099 32.6758 170.3703 4 V 4.5746 9.3020 123.5202 61.2022 35.7595 173.8828 5 R 5.1125 8.3996 124.2571 54.7319 33.1903 173.7394 6 A 4.8528 8.8737 127.2622 50.0336 22.3289 174.5694 7 E 5.0628 8.5365 120.4143 54.4921 33.0059 175.0252 8 R 4.6678 8.8028 125.7336 55.2817 34.2214 172.8339 9 Y 5.0456 8.7752 127.5517 57.0027 40.6371 173.7715 10 I 4.3161 8.1877 127.2188 58.4730 40.5772 174.0288 11 P 4.6970 0.0000 0.0000 61.0627 28.5680 175.0185 12 A 4.4143 7.4497 126.4800 51.3882 22.8174 174.2234 13 P 4.3447 0.0000 0.0000 61.9861 32.4261 175.8502 14 P 4.9559 0.0000 0.0000 65.3078 31.2016 178.7365 15 E 4.0042 8.1606 115.6554 59.3121 29.4830 179.1749 16 R 3.8035 7.7662 119.1208 59.1434 30.3753 178.4263 17 V 3.5695 7.8992 118.0879 66.0806 31.4190 177.0731 18 Y 2.4261 8.2365 119.5452 60.4558 38.3810 178.3878 19 R 3.6711 7.9285 119.3515 59.2425 29.9536 178.3312 20 L 3.9148 7.6075 117.5210 57.0340 41.7093 178.7183 21 A 4.0689 7.4537 119.9758 54.2665 18.4613 179.1464 22 K 2.5309 6.7623 117.8796 58.0063 33.2182 177.8546 23 D 4.4284 7.1873 120.0063 52.8216 38.1617 176.0757 24 L 3.9093 7.7310 123.9504 57.5639 41.8954 178.6189 25 E 3.9694 7.9669 117.2360 59.1784 29.5562 179.1732 26 G 3.7593 8.2166 106.3028 46.7439 0.0000 175.1532 27 L 4.2950 7.7262 122.4287 57.4908 42.1031 178.4088 28 K 3.7123 7.8364 120.2011 59.0559 31.8023 176.6373 29 P 4.2500 0.0000 0.0000 64.8440 31.3518 176.2308 30 Y 4.4132 8.0451 115.6280 57.7700 38.4540 175.1320 31 L 4.7701 7.6540 122.1526 53.1173 40.8880 177.4081 32 K 4.0923 8.5665 124.0410 58.5729 32.3953 178.2435 33 E 4.3981 8.2116 116.6416 56.2379 30.2249 175.2383 34 V 4.4139 7.4120 119.9058 61.5733 32.5513 175.1262 35 E 4.4710 9.1635 127.7838 58.3033 30.6384 177.2874 36 S 4.5163 7.6079 113.0990 56.6560 66.6573 173.2466 37 L 4.5577 8.1944 124.7558 53.3169 44.6016 174.6002 38 E 4.6866 8.4944 127.9174 54.0986 32.4618 174.8708 39 V 4.2210 8.8881 128.2287 62.8950 31.2971 175.8590 40 V 4.0510 8.8725 128.9184 64.3932 32.3645 175.3071 41 A 4.5665 7.6794 119.4550 51.7350 22.5264 175.2275 42 R 4.9220 8.3795 119.3208 55.5156 33.0236 174.7896 43 E 4.5399 9.4803 126.3504 55.1303 32.4016 177.5912 44 G 3.8534 8.3017 116.4874 46.9325 0.0000 172.0495 45 A 4.7477 8.8762 127.0844 51.4708 18.9480 177.1061 46 R 5.4328 7.8292 114.0372 56.7842 33.4068 174.0896 47 T 5.2696 9.1482 116.0514 62.0462 73.3547 173.0406 48 R 5.3484 8.6591 122.2518 54.5881 33.6635 175.0567 49 S 5.0911 9.4647 116.9658 56.7784 67.3883 172.7547 50 R 4.9201 9.0761 122.5886 54.7026 31.9361 174.5141 51 W 4.7580 8.7457 127.2256 54.8070 31.8201 175.6148 52 V 4.8191 8.7151 123.0988 61.2367 33.8255 174.1339 53 A 5.3274 9.2700 129.7091 50.1685 22.5492 174.6559 54 V 4.6734 8.7614 119.5877 60.3854 33.5731 175.9736 55 A 4.7079 8.1397 131.4746 51.5194 19.1579 176.6678 *57 G 3.9434 8.0278 110.7542 45.1141 0.0000 172.9736 58 K 4.7051 7.6907 120.0400 54.5219 34.8596 175.2928 59 K 4.8869 8.4873 123.4410 55.7182 34.6937 175.8944 60 V 4.6883 8.8510 115.8445 59.7397 34.6326 174.8314 61 R 5.3356 9.8007 124.1064 54.2788 33.5225 174.7150 62 W 5.5604 8.8681 118.9188 55.4296 32.0919 173.3625 63 L 5.1053 9.0369 121.2338 53.6742 43.5349 175.3792 64 E 4.9698 9.5928 123.0626 54.5020 33.5569 173.4922 65 E 5.0220 9.0575 128.0509 54.2160 31.8671 174.0668 66 E 4.9334 8.8260 125.0424 54.4511 32.5911 174.5329 67 E 4.7964 9.5161 123.8094 54.5131 31.8558 174.7270 68 W 5.0586 9.1254 125.5729 55.4177 31.0420 176.3028 69 D 4.8114 9.5792 126.4233 52.4997 39.8098 176.2159 70 D 4.1032 8.7468 123.9066 56.8100 41.5266 177.8786 71 E 3.9859 8.4438 118.5880 59.0478 29.6034 177.0986 72 N 4.7268 8.1087 111.7837 52.0717 39.5245 174.7117 73 L 2.8292 7.5551 117.6822 55.6354 39.6924 173.4937 74 R 5.6123 7.6303 115.4870 55.0714 35.2939 175.2010 75 N 5.5725 9.6606 118.3098 52.2676 43.0847 172.9650 76 R 5.0719 9.1219 123.5710 54.5575 33.8304 173.9958 77 F 5.7975 8.6981 119.3129 54.6882 42.1189 173.2272 78 F 5.3151 8.0723 112.3635 56.1282 40.9357 172.4328 79 S 5.5020 9.1421 116.5781 55.6921 62.9336 172.2649 80 P 4.7464 0.0000 0.0000 64.2821 32.2598 175.3145 81 E 4.7578 7.6686 115.6063 55.6217 32.7580 174.5439 82 G 4.1681 8.3815 105.4608 45.0410 0.0000 173.1802 83 D 4.4783 8.5702 120.3208 56.3225 41.3259 176.8531 84 F 4.6856 7.8653 116.9570 56.8224 39.5536 176.0336 85 D 4.6557 9.0382 122.7403 57.0309 41.4738 177.0959 86 R 4.6988 7.9885 117.3718 54.9378 34.1982 173.9623 87 Y 4.6930 8.5361 127.1589 57.2444 40.8168 172.6736 88 E 4.5836 8.1807 124.2862 54.9781 33.7067 175.5549 89 G 3.9116 5.9138 105.2503 45.9677 0.0000 171.3583 90 T 5.3024 7.3366 108.3180 59.0566 72.6880 172.8196 91 W 5.2037 9.5125 123.5267 55.4427 31.4136 175.6601 92 V 5.0025 8.6410 117.0942 59.5737 35.5401 174.8958 93 F 5.0123 9.0798 121.7258 56.0339 41.3300 174.4668 94 L 4.9932 8.8166 124.6427 51.9717 44.5229 174.4278 95 P 4.8567 0.0000 0.0000 62.7863 32.2900 175.6035 96 E 4.5001 9.4462 126.3546 54.5268 31.2788 176.6835 97 G 3.7454 8.1286 118.5471 46.8645 0.0000 174.2335 98 E 4.2126 9.1835 125.7803 56.9105 30.0820 175.0739 99 G 4.9159 8.2618 106.0619 44.1060 0.0000 171.1425 100 T 5.2591 8.3623 116.2254 61.7935 71.5657 173.8103 101 R 4.6474 9.3288 127.7377 55.2412 31.4187 174.9743 102 V 4.3409 8.8493 128.3020 61.7002 33.4028 174.6647 103 V 4.6875 8.3837 127.6461 60.8857 34.2474 173.6689 104 L 4.7707 8.8080 130.3199 53.4940 44.4837 174.8680 105 T 4.8895 8.6381 123.2562 61.5870 71.7369 173.1789 106 L 4.8276 8.9965 127.7607 53.6011 45.4657 174.6236 107 T 4.9380 9.0361 122.5931 60.5854 69.0085 172.8730 108 Y 5.0916 8.4873 126.1980 55.1732 42.2492 173.8764 109 E 4.5986 9.3877 121.1475 54.5331 33.4173 173.8374 110 L 5.1984 8.7306 128.1673 53.3187 44.5121 175.6215 111 T 4.1533 8.2419 117.8502 61.1846 69.4064 174.2983 112 I 4.4739 8.1727 126.3882 58.3478 39.5823 173.1884 113 P 4.3004 0.0000 0.0000 64.1754 31.7548 175.6846 114 I 3.3867 8.4992 129.0541 62.5900 35.3560 175.1947 115 F 4.8992 7.0521 117.0220 57.4814 38.7730 177.9064 116 G 3.8679 8.2072 106.5842 47.8198 0.0000 175.6145 117 G 3.8138 8.0269 107.1685 47.4186 0.0000 175.8511 118 L 4.2539 8.0559 119.6815 56.3890 41.8941 177.7378 119 L 4.6940 7.5275 117.2721 54.1795 42.6940 177.7887 120 R 3.9375 7.8072 120.7541 59.9823 29.8711 178.6470 121 K 4.0783 7.9850 117.4186 59.1768 32.1764 178.9927 122 L 4.0374 7.7757 120.3360 57.9541 41.9286 178.9088 123 V 3.6823 8.0392 117.8834 65.8496 31.4831 177.8351 124 Q 4.4778 7.9907 118.5230 58.4223 28.9640 178.2729 125 K 4.1481 7.9608 120.2789 59.3422 32.1792 179.2707 126 L 4.0171 7.7556 115.9025 55.5345 41.1412 178.6449 *128 Q 4.1962 8.0252 122.2954 56.2372 30.8299 177.1110 129 E 4.0807 8.0890 117.1477 58.8008 29.3628 178.8372 130 N 4.6524 8.1102 118.7710 56.5104 39.2609 177.4829 131 V 3.6357 7.6580 112.9905 64.0396 31.7891 178.3079 132 E 4.0206 8.0171 118.9411 59.0117 29.3853 178.9453 133 S 4.3817 8.1865 113.7266 60.2985 62.8430 176.2218 134 L 4.1402 8.0348 124.8550 58.2669 41.8592 178.6833 135 L 4.2244 7.7913 118.1823 57.0294 41.6619 179.0748 136 K 4.1753 8.0479 119.6141 58.9721 32.2361 178.8663 137 G 4.0393 8.1919 106.8889 46.1185 0.0000 175.7232 138 L 3.9718 7.6190 122.2208 58.3224 42.2447 178.3243 139 E 3.8693 8.1334 119.2560 59.5200 29.3250 178.7179 140 E 3.8632 8.2613 118.5542 59.0309 29.3805 179.2223 141 R 2.5898 7.3144 118.8271 59.0202 29.8828 178.8387 142 V 3.5225 7.5503 117.4672 65.4874 31.9000 177.7682 143 L 4.0566 8.0049 119.6175 58.9950 40.3834 178.6838 144 A 3.9309 7.6327 121.7528 54.8389 18.1506 179.1812 145 A 4.1670 8.1672 118.3371 54.1031 18.6374 178.7544 146 S 4.3909 7.6340 111.7527 57.5463 63.4013 174.3790 147 S 4.0366 8.3689 123.9651 59.0612 63.4519 171.9213 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 2 P 0.00 4.31 0.00 1.93 2.08 0.00 3.20 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.71 0.00 3 E 8.50 4.96 0.00 1.82 1.78 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 2.10 2.31 0.00 4 V 9.30 4.57 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 0.94 0.00 0.00 1.08 0.00 0.00 5 R 8.40 5.11 0.00 1.72 1.66 0.00 3.17 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 6 A 8.87 4.85 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 7 E 8.54 5.06 0.00 1.90 1.77 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 2.17 2.23 0.00 8 R 8.80 4.67 0.00 1.94 1.68 0.00 3.40 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 9 Y 8.78 5.05 0.00 3.15 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 10 I 8.19 4.32 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.82 0.00 0.00 11 P 0.00 4.70 0.00 2.07 2.15 0.00 3.62 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 12 A 7.45 4.41 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.20 2.07 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 14 P 0.00 4.96 0.00 2.22 2.29 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 15 E 8.16 4.00 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 16 R 7.77 3.80 0.00 1.89 2.13 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 17 V 7.90 3.57 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 1.26 0.00 0.00 0.99 0.00 0.00 18 Y 8.24 2.43 0.00 2.45 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 19 R 7.93 3.67 0.00 2.05 2.02 0.00 3.08 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 20 L 7.61 3.91 0.00 1.62 1.64 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.45 4.07 1.33 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 22 K 6.76 2.53 0.00 0.79 1.21 0.00 1.08 0.00 0.00 1.10 0.00 0.00 2.27 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.21 7.81 23 D 7.19 4.43 0.00 2.60 2.39 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 24 L 7.73 3.91 0.00 1.64 1.54 1.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.97 3.97 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 26 G 8.22 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 0.00 0.00 0.00 27 L 7.73 4.29 0.00 1.94 1.83 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.84 3.71 0.00 1.64 1.85 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.30 7.81 29 P 0.00 4.25 0.00 1.73 1.94 0.00 3.77 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 1.74 1.88 0.00 30 Y 8.05 4.41 0.00 3.22 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 31 L 7.65 4.77 0.00 1.98 1.73 1.13 0.80 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 32 K 8.57 4.09 0.00 1.79 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 33 E 8.21 4.40 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 34 V 7.41 4.41 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 0.62 0.00 0.00 1.23 0.00 0.00 35 E 9.16 4.47 0.00 1.98 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 2.30 2.26 0.00 36 S 7.61 4.52 0.00 3.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 4.56 0.00 0.94 1.06 -0.44 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.49 4.69 0.00 1.95 1.63 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 2.11 2.14 0.00 39 V 8.89 4.22 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 0.80 0.00 0.00 0.87 0.00 0.00 40 V 8.87 4.05 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 0.79 0.00 0.00 0.98 0.00 0.00 41 A 7.68 4.57 1.22 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 0.00 0.00 0.00 42 R 8.38 4.92 0.00 1.80 1.78 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 43 E 9.48 4.54 0.00 1.98 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 2.25 2.42 0.00 44 G 8.30 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 0.00 0.00 0.00 45 A 8.88 4.75 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 46 R 7.83 5.43 0.00 2.23 2.09 0.00 2.80 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 47 T 9.15 5.27 4.69 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 1.44 0.00 0.00 48 R 8.66 5.35 0.00 1.80 1.81 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 49 S 9.46 5.09 0.00 3.76 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 50 R 9.08 4.92 0.00 1.81 1.74 0.00 3.03 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 51 W 8.75 4.76 0.00 1.78 1.84 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 52 V 8.72 4.82 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 0.97 0.00 0.00 0.87 0.00 0.00 53 A 9.27 5.33 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.76 4.67 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 0.82 0.00 0.00 1.00 0.00 0.00 55 A 8.14 4.71 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 *57 G 8.03 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 58 K 7.69 4.71 0.00 1.89 1.66 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 K 8.49 4.89 0.00 1.80 1.80 0.00 1.48 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.53 7.81 60 V 8.85 4.69 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 0.66 0.00 0.00 1.26 0.00 0.00 61 R 9.80 5.34 0.00 1.73 1.82 0.00 3.14 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 62 W 8.87 5.56 0.00 3.41 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 63 L 9.04 5.11 0.00 1.96 1.72 0.95 0.71 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 64 E 9.59 4.97 0.00 2.20 1.87 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 2.39 2.40 0.00 65 E 9.06 5.02 0.00 1.33 1.12 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 2.12 2.35 0.00 66 E 8.83 4.93 0.00 1.16 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 67 E 9.52 4.80 0.00 1.95 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 2.33 2.34 0.00 68 W 9.13 5.06 0.00 3.32 3.26 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 69 D 9.58 4.81 0.00 2.83 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 70 D 8.75 4.10 0.00 2.72 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 71 E 8.44 3.99 0.00 1.92 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 2.28 2.29 0.00 72 N 8.11 4.73 0.00 3.06 2.84 0.00 0.00 7.18 7.33 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 73 L 7.56 2.83 0.00 1.97 1.73 0.94 0.24 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 74 R 7.63 5.61 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 75 N 9.66 5.57 0.00 2.46 2.81 0.00 0.00 6.93 8.48 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 76 R 9.12 5.07 0.00 1.90 1.74 0.00 3.13 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 77 F 8.70 5.80 0.00 3.14 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 78 F 8.07 5.32 0.00 3.07 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 79 S 9.14 5.50 0.00 4.14 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.75 0.00 2.38 2.46 0.00 4.20 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 81 E 7.67 4.76 0.00 2.06 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 2.30 2.33 0.00 82 G 8.38 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 0.00 0.00 0.00 0.00 83 D 8.57 4.48 0.00 2.51 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 84 F 7.87 4.69 0.00 2.92 3.23 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 85 D 9.04 4.66 0.00 2.65 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 86 R 7.99 4.70 0.00 1.84 1.76 0.00 3.16 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 87 Y 8.54 4.69 0.00 2.60 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 88 E 8.18 4.58 0.00 1.87 1.97 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 2.07 2.07 0.00 89 G 5.91 3.91 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 0.00 0.00 0.00 90 T 7.34 5.30 4.32 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 1.15 0.00 0.00 91 W 9.51 5.20 0.00 3.52 3.34 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 92 V 8.64 5.00 2.17 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 0.82 0.00 0.00 0.96 0.00 0.00 93 F 9.08 5.01 0.00 3.14 3.19 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 94 L 8.82 4.99 0.00 1.73 1.61 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.86 0.00 2.13 2.13 0.00 3.77 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 2.03 2.01 0.00 96 E 9.45 4.50 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 97 G 8.13 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.18 4.21 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 99 G 8.26 4.92 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 0.00 100 T 8.36 5.26 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 1.51 0.00 0.00 101 R 9.33 4.65 0.00 2.16 1.90 0.00 3.28 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 102 V 8.85 4.34 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.03 0.00 0.00 103 V 8.38 4.69 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 0.82 0.00 0.00 0.89 0.00 0.00 104 L 8.81 4.77 0.00 1.19 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.64 4.89 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 1.10 0.00 0.00 106 L 9.00 4.83 0.00 1.49 1.30 -0.19 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 107 T 9.04 4.94 4.09 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 1.07 0.00 0.00 108 Y 8.49 5.09 0.00 2.72 2.47 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 0.00 109 E 9.39 4.60 0.00 1.90 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 0.00 2.21 2.17 0.00 110 L 8.73 5.20 0.00 2.06 1.75 0.57 1.03 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 0.00 111 T 8.24 4.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 112 I 8.17 4.47 1.95 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 1.46 1.16 1.04 0.00 0.00 113 P 0.00 4.30 0.00 2.03 1.99 0.00 3.83 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 2.05 2.13 0.00 114 I 8.50 3.39 1.03 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.14 0.05 0.00 0.00 115 F 7.05 4.90 0.00 3.14 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 G 8.21 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 0.00 117 G 8.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.06 4.25 0.00 1.79 1.83 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.53 4.69 0.00 1.69 1.67 0.89 0.69 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 0.00 120 R 7.81 3.94 0.00 1.98 1.98 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 121 K 7.99 4.08 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.51 7.81 122 L 7.78 4.04 0.00 1.77 1.80 0.93 0.89 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 0.00 123 V 8.04 3.68 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 1.09 0.00 0.00 1.05 0.00 0.00 124 Q 7.99 4.48 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 125 K 7.96 4.15 0.00 2.02 1.94 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 126 L 7.76 4.02 0.00 1.90 1.67 0.94 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 *128 Q 8.03 4.20 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 129 E 8.09 4.08 0.00 2.18 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 2.66 2.46 0.00 130 N 8.11 4.65 0.00 3.01 2.81 0.00 0.00 7.19 7.11 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 0.00 131 V 7.66 3.64 1.89 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 0.72 0.00 0.00 0.91 0.00 0.00 132 E 8.02 4.02 0.00 1.96 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 2.29 2.47 0.00 133 S 8.19 4.38 0.00 4.12 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 0.00 134 L 8.03 4.14 0.00 2.04 1.78 1.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.79 4.22 0.00 1.89 1.68 0.83 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.05 4.18 0.00 2.04 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.19 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.62 3.97 0.00 2.17 2.04 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.13 3.87 0.00 2.08 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 2.27 2.31 0.00 140 E 8.26 3.86 0.00 2.13 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 2.33 2.64 0.00 141 R 7.31 2.59 0.00 1.82 1.81 0.00 3.17 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 142 V 7.55 3.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 143 L 8.00 4.06 0.00 1.93 1.85 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.63 3.93 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 0.00 145 A 8.17 4.17 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 0.00 146 S 7.63 4.39 0.00 4.09 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 0.00 147 S 8.37 4.04 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.