NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4664 8.3349 115.4128 58.4986 64.0986 173.1049 3 V 4.1260 8.0673 116.6320 58.9795 32.8189 173.7454 4 N 4.1902 9.3588 116.9805 54.7012 38.0333 174.5160 5 G 3.8780 8.4704 101.2588 46.1244 0.0000 175.2953 6 I 4.3180 7.6040 122.5630 59.1175 37.3457 175.7343 7 E 4.0624 8.5503 125.2125 59.3997 28.8599 179.0575 8 V 3.9698 7.9976 110.8521 63.4681 31.5884 178.0208 9 A 4.3081 8.1631 121.2703 54.6027 18.0991 179.5643 10 K 3.8986 8.0505 117.5550 59.3996 32.1853 177.6402 11 P 4.1761 0.0000 0.0000 65.8183 31.0351 178.4145 12 F 3.9470 7.6410 114.4049 60.2601 38.8058 177.7661 13 I 4.0685 8.3406 119.5675 64.3803 36.8928 178.2590 14 A 4.0022 8.2331 121.4360 55.1412 18.1472 179.4754 15 A 4.0377 8.0953 119.2469 55.6668 18.4787 179.9737 16 T 3.7306 8.1006 114.3040 66.7810 68.4642 177.1262 17 V 3.6635 8.0028 120.1032 66.0459 31.5534 177.8006 18 N 4.3186 8.3914 116.4562 56.2744 38.1680 177.6798 19 V 3.5491 7.8445 118.6343 66.0427 32.1234 177.7739 20 L 4.1061 7.9538 118.7626 57.7349 41.4838 179.5100 21 S 4.3841 8.1682 114.4540 61.1892 62.1438 175.8478 22 T 4.1853 7.6389 114.0879 64.3584 67.7853 175.3019 *24 A 4.1853 7.9299 124.0961 50.6868 20.3234 178.1270 25 G 3.8194 7.9872 102.7275 46.3050 0.0000 173.5177 26 I 4.3839 7.6297 120.0494 59.1707 39.1182 175.1613 27 Q 4.7350 8.5652 125.0232 53.6450 28.3133 173.2078 28 P 4.8493 0.0000 0.0000 62.4641 32.9745 175.5201 29 Q 4.7020 9.0308 124.3752 53.7375 30.5033 173.0323 30 P 3.7240 0.0000 0.0000 62.7736 32.0638 177.1518 31 G 3.9678 8.1801 111.4962 45.6141 0.0000 172.5603 32 K 4.3154 8.4686 124.0282 54.8930 32.7930 175.9128 33 P 4.8087 0.0000 0.0000 63.1017 32.0217 175.0718 34 Y 4.9603 8.1304 119.6883 56.0742 41.3733 174.2388 35 V 4.6632 8.3563 112.6919 59.6328 34.9925 175.3191 36 K 4.6235 8.8589 124.7671 54.6523 36.0075 175.2477 37 K 4.1594 8.8602 128.3654 57.9297 32.6519 176.1713 38 N 4.4004 8.8822 121.7813 53.8498 36.2552 173.9594 39 N 4.4114 7.4404 115.6475 54.0004 39.5671 173.9039 40 V 4.6695 8.2477 123.3242 61.0364 34.4844 174.1265 41 A 4.8353 8.6358 129.0120 50.1055 21.4466 175.3789 42 K 4.8519 8.1984 122.4515 54.9487 35.1181 175.8123 43 G 4.0154 8.0908 111.9362 46.7843 0.0000 172.3580 44 D 5.1445 9.0442 118.3734 54.0957 43.6023 177.5947 45 V 4.7834 7.7900 117.6796 61.4079 34.8468 174.6126 46 S 5.5314 9.4850 122.6266 56.8517 67.7850 172.6397 47 A 5.1555 9.2288 122.0872 50.3336 22.6983 175.2766 48 V 4.9499 8.8480 120.0091 61.1390 35.0383 174.4658 49 I 4.8166 9.0186 127.9260 59.4475 40.8929 174.7132 50 G 4.4122 8.9643 114.1775 45.2508 0.0000 172.5932 51 I 5.3664 8.7141 117.4535 59.1671 40.8504 174.5047 52 T 5.7989 9.3876 113.2649 58.6483 72.5191 173.8644 53 G 3.9416 7.6792 108.1056 45.9652 0.0000 172.6639 54 H 4.2259 8.5542 119.9137 58.2849 28.9249 176.3522 55 K 4.8656 7.5640 116.9628 54.4762 35.0327 174.3366 56 N 5.4771 8.7837 118.2452 51.7192 42.5802 173.9306 57 G 4.7743 8.6532 108.5439 47.2810 0.0000 172.3379 58 S 5.2827 8.0489 117.4937 57.1351 68.1131 173.1838 59 I 5.2926 8.9520 122.6485 59.7500 40.7070 174.8838 60 S 5.2080 9.0598 119.6077 56.9077 67.2055 172.9167 61 V 4.8711 8.7660 120.0543 61.5707 34.8540 174.1685 62 T 5.1430 8.7678 123.7805 60.8187 71.6692 172.9025 63 F 5.5349 9.5328 125.7004 55.5732 42.2436 175.6024 64 T 4.4596 8.7948 112.4947 61.5065 69.7331 175.3756 65 K 3.9034 9.5373 125.1792 60.0073 32.3477 179.4646 66 S 4.1312 8.0959 113.8946 61.4951 62.9265 175.8693 67 C 4.2909 8.0286 121.9505 62.2894 31.3213 175.4444 68 A 3.5430 8.2462 122.4799 54.9690 17.9227 179.6027 69 I 3.5415 8.0066 118.3871 64.5710 37.1153 178.5886 70 A 3.9079 7.8749 121.1958 54.7143 17.9067 179.3472 71 L 3.7827 7.7096 118.2339 58.4198 42.2271 179.1782 72 V 3.6326 7.5630 116.7383 65.8126 31.6716 177.7235 73 K 4.3655 8.1993 118.4531 59.3140 31.6166 179.9959 74 G 4.1490 7.7115 102.5550 45.1409 0.0000 174.3326 *76 L 4.1283 7.9492 121.4496 53.1986 43.5727 177.3147 77 G 3.8443 8.2087 104.2949 44.8144 0.0000 172.7404 78 D 4.5823 8.3902 118.7713 55.3688 41.3521 178.3739 79 D 4.7018 7.6597 120.5958 51.3443 38.3062 179.6208 80 I 4.6099 7.3592 114.3754 59.1454 40.3933 175.9307 81 Q 4.3080 8.8550 123.9248 57.0001 30.3104 176.1173 82 D 4.6521 7.5142 119.0854 52.3574 39.8544 175.9126 83 I 3.6091 7.7196 123.1770 63.5333 38.3929 176.5089 84 L 3.8853 7.8281 120.6721 58.3468 42.0761 178.6770 85 Q 3.9784 8.4129 119.4582 59.1306 28.8898 177.7838 86 D 4.3412 8.3905 120.3739 57.5910 40.7434 178.8822 87 T 3.7700 8.1862 116.5433 66.3523 68.3342 176.8323 88 K 3.9026 7.8920 120.1903 59.7372 32.0896 179.1738 89 D 4.3040 8.4509 119.1812 57.1204 40.6513 178.7629 90 A 3.8811 8.1661 121.4758 55.1976 18.4811 179.7992 91 V 3.4766 7.9130 117.0494 65.9731 31.5238 178.3597 92 G 3.6516 8.3465 105.7221 47.9040 0.0000 175.4931 93 E 3.9466 8.2258 120.4084 59.0156 29.5837 179.2225 94 V 3.7156 7.8427 117.3059 66.4074 31.7669 177.9039 95 T 4.1065 8.0317 115.3487 66.4671 68.1844 176.6519 96 N 4.3720 8.3314 115.8757 54.7144 38.8704 176.2253 *98 I 4.0071 7.6697 121.0458 61.0312 39.3944 177.8247 99 S 4.1639 8.5216 114.7171 61.2857 62.1146 176.4173 100 G 3.5803 8.2004 108.3691 48.1027 0.0000 175.7510 101 Q 3.9366 7.9307 120.4399 58.2494 28.8491 178.3940 102 A 3.5543 8.1309 122.2485 55.1189 18.1786 179.9758 103 R 3.9836 8.1205 116.5479 59.0527 30.0504 179.1418 104 A 4.0478 8.0184 120.9744 55.0662 18.1594 179.9583 105 G 3.4594 7.7827 102.9832 47.9240 0.0000 175.5424 106 L 4.1527 8.0924 120.6722 57.5234 41.7109 179.2379 107 A 4.1723 8.0760 119.9356 54.7890 18.4588 180.4052 108 E 4.2254 7.8186 117.1753 55.5531 30.9196 178.1620 *110 G 3.5235 7.8535 104.9297 45.2508 0.0000 172.9955 *112 V 3.7411 7.3923 116.8521 62.8545 32.7581 174.2653 113 F 5.2521 8.5947 124.9374 55.8801 42.2767 174.7722 114 Q 4.5718 9.2652 121.9090 55.0418 30.6271 174.9991 115 G 4.6058 8.5032 108.2726 44.4473 0.0000 172.8567 116 S 4.8440 8.7393 118.4452 57.0340 64.8536 173.8296 117 T 4.2174 8.2862 110.1430 60.6433 69.3859 172.3649 118 P 4.8691 0.0000 0.0000 62.7320 32.9779 175.3865 119 S 4.7471 8.9154 117.2359 56.8418 65.6931 173.2304 120 V 4.5822 8.4662 124.9329 61.8853 32.7076 174.9308 121 I 4.3311 8.8709 128.0504 59.2131 41.3597 174.7920 *123 G 3.8882 8.3113 110.5407 45.2781 0.0000 172.2888 124 D 4.4671 8.7688 125.6766 55.6500 41.2674 176.5475 125 G 3.8959 9.2105 112.0570 46.4799 0.0000 173.3633 126 H 4.6991 7.8268 115.3666 55.3924 29.9624 174.1014 127 T 5.2296 8.4374 108.6708 59.9955 71.7777 173.1463 128 I 4.4301 8.8300 124.4977 59.8439 39.8895 174.8200 129 S 4.6374 8.5192 122.8095 56.4923 64.8979 173.4080 130 H 4.1680 8.5087 122.0681 55.6050 29.0642 175.8257 131 V 4.1596 8.1867 124.0583 61.8153 31.3999 174.4590 132 T 4.6448 7.7865 119.9921 60.5970 70.0604 173.8849 133 K 4.1064 9.1144 126.1019 58.5536 32.3789 177.9769 134 S 4.5200 7.3155 114.0497 56.3502 64.0230 172.3045 135 P 4.4478 0.0000 0.0000 62.9251 32.3801 176.7785 136 I 4.4441 7.8422 121.3188 60.3393 40.6328 174.3463 *138 A 4.3055 8.4239 125.0750 52.8580 20.4555 176.4756 139 I 4.5724 8.5257 121.4043 58.7599 41.0169 173.3077 140 P 4.8083 0.0000 0.0000 62.5921 33.0335 175.2601 141 F 5.0124 9.1297 119.8933 55.6414 42.9133 173.8872 142 L 5.3474 8.8218 121.9419 53.3363 44.7595 175.5631 143 T 5.1549 9.0076 111.8351 59.6918 72.3202 174.5603 144 N 4.3939 9.1090 118.1039 55.9876 38.5674 175.9650 145 H 4.8461 9.4866 113.1393 54.1429 29.7642 175.3634 146 G 3.7702 6.4660 107.6720 44.8234 0.0000 172.0186 147 E 5.4060 8.5355 121.0078 54.6027 33.5624 176.0009 148 F 5.4480 8.7529 117.5923 55.8179 42.0765 173.0971 149 T 5.0312 9.0626 116.6975 61.8908 71.8345 173.0477 150 V 4.7143 8.9037 126.7224 61.6201 33.4815 174.5110 151 E 4.9960 9.1571 126.7775 54.7725 33.5772 174.6549 152 F 5.4400 8.2372 122.6546 57.3667 42.5153 172.9057 153 C 4.3183 8.5998 119.4410 57.0987 33.1838 172.5286 154 F 5.4255 7.3816 113.6447 55.8785 40.7809 173.8002 155 E 4.3581 9.2956 117.3788 56.8008 29.7680 174.9855 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 S 8.33 4.47 0.00 3.99 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 3 V 8.07 4.13 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 0.78 0.00 0.00 0.96 0.00 0.00 4 N 9.36 4.19 0.00 2.79 2.96 0.00 0.00 7.14 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.47 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 6 I 7.60 4.32 2.01 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 1.54 1.06 0.96 0.00 0.00 7 E 8.55 4.06 0.00 2.05 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 2.45 2.40 0.00 8 V 8.00 3.97 2.50 0.00 0.00 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 1.23 0.00 0.00 9 A 8.16 4.31 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 10 K 8.05 3.90 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.51 7.81 11 P 0.00 4.18 0.00 2.01 2.18 0.00 3.74 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 2.07 2.00 0.00 12 F 7.64 3.95 0.00 3.30 3.22 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 13 I 8.34 4.07 1.97 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 1.54 0.89 1.03 0.00 0.00 14 A 8.23 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.10 4.04 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 16 T 8.10 3.73 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 0.60 0.00 0.00 17 V 8.00 3.66 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 1.09 0.00 0.00 1.18 0.00 0.00 18 N 8.39 4.32 0.00 2.98 2.84 0.00 0.00 6.70 8.25 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 19 V 7.84 3.55 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 0.86 0.00 0.00 0.99 0.00 0.00 20 L 7.95 4.11 0.00 1.97 1.90 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.17 4.38 0.00 3.98 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 22 T 7.64 4.19 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 *24 A 7.93 4.19 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 25 G 7.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.63 4.38 1.92 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 1.35 0.96 1.03 0.00 0.00 27 Q 8.57 4.73 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 28 P 0.00 4.85 0.00 2.35 2.38 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 29 Q 9.03 4.70 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 30 P 0.00 3.72 0.00 1.77 1.43 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 31 G 8.18 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 32 K 8.47 4.32 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 P 0.00 4.81 0.00 2.13 1.93 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 34 Y 8.13 4.96 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.36 4.66 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 0.65 0.00 0.00 0.93 0.00 0.00 36 K 8.86 4.62 0.00 2.00 1.74 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.43 7.81 37 K 8.86 4.16 0.00 1.85 1.66 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 38 N 8.88 4.40 0.00 2.89 2.86 0.00 0.00 6.97 8.00 0.00 0.00 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 N 7.44 4.41 0.00 2.87 2.71 0.00 0.00 6.73 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.25 4.67 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 0.90 0.00 0.00 0.96 0.00 0.00 41 A 8.64 4.84 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 42 K 8.20 4.85 0.00 1.72 1.65 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.28 1.67 7.81 43 G 8.09 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 0.00 0.00 0.00 44 D 9.04 5.14 0.00 2.65 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 45 V 7.79 4.78 2.14 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 0.93 0.00 0.00 0.95 0.00 0.00 46 S 9.48 5.53 0.00 3.86 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 47 A 9.23 5.16 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 48 V 8.85 4.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 49 I 9.02 4.82 1.91 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 1.19 0.66 1.00 0.00 0.00 50 G 8.96 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 0.00 0.00 0.00 0.00 51 I 8.71 5.37 1.84 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 1.37 1.15 0.91 0.00 0.00 52 T 9.39 5.80 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 53 G 7.68 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 54 H 8.55 4.23 0.00 2.98 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.56 4.87 0.00 1.55 1.86 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.18 7.81 56 N 8.78 5.48 0.00 2.66 2.73 0.00 0.00 6.88 7.14 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 57 G 8.65 4.77 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 0.00 0.00 0.00 58 S 8.05 5.28 0.00 3.35 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.95 5.29 1.96 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 1.57 0.95 1.07 0.00 0.00 60 S 9.06 5.21 0.00 3.99 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 61 V 8.77 4.87 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 0.55 0.00 0.00 0.95 0.00 0.00 62 T 8.77 5.14 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 1.27 0.00 0.00 63 F 9.53 5.53 0.00 3.06 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 64 T 8.79 4.46 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 1.35 0.00 0.00 65 K 9.54 3.90 0.00 1.96 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.47 7.81 66 S 8.10 4.13 0.00 4.15 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 67 C 8.03 4.29 0.00 3.22 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 68 A 8.25 3.54 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 69 I 8.01 3.54 1.85 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 1.42 0.78 0.87 0.00 0.00 70 A 7.87 3.91 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 71 L 7.71 3.78 0.00 1.53 1.66 0.80 0.26 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 72 V 7.56 3.63 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 0.83 0.00 0.00 0.85 0.00 0.00 73 K 8.20 4.37 0.00 1.95 1.81 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.56 7.81 74 G 7.71 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 *76 L 7.95 4.13 0.00 1.71 1.76 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.21 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 0.00 0.00 0.00 78 D 8.39 4.58 0.00 2.65 2.70 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 0.00 0.00 0.00 79 D 7.66 4.70 0.00 2.69 2.48 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 80 I 7.36 4.61 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.95 0.00 0.00 81 Q 8.85 4.31 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.39 0.00 0.00 0.00 0.00 0.00 2.28 1.89 0.00 82 D 7.51 4.65 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.72 3.61 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.89 0.00 0.00 84 L 7.83 3.89 0.00 1.78 1.76 0.91 0.56 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 85 Q 8.41 3.98 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 86 D 8.39 4.34 0.00 2.87 2.66 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 87 T 8.19 3.77 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 1.11 0.00 0.00 88 K 7.89 3.90 0.00 1.99 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 89 D 8.45 4.30 0.00 2.62 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 90 A 8.17 3.88 1.23 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 91 V 7.91 3.48 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 1.08 0.00 0.00 0.56 0.00 0.00 92 G 8.35 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 93 E 8.23 3.95 0.00 2.07 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 2.33 2.42 0.00 94 V 7.84 3.72 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 0.83 0.00 0.00 0.91 0.00 0.00 95 T 8.03 4.11 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 96 N 8.33 4.37 0.00 2.83 2.92 0.00 0.00 7.22 7.43 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 *98 I 7.67 4.01 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.99 0.00 0.00 99 S 8.52 4.16 0.00 3.90 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.20 3.58 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 0.00 101 Q 7.93 3.94 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 102 A 8.13 3.55 0.31 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 0.00 103 R 8.12 3.98 0.00 1.91 2.05 0.00 3.46 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 104 A 8.02 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.15 0.00 1.79 1.93 0.71 0.97 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 0.00 107 A 8.08 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.82 4.23 0.00 2.12 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 2.33 2.44 0.00 *110 G 7.85 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 V 7.39 3.74 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 0.79 0.00 0.00 0.86 0.00 0.00 113 F 8.59 5.25 0.00 2.96 2.89 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 0.00 114 Q 9.27 4.57 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 115 G 8.50 4.61 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 0.00 0.00 0.00 116 S 8.74 4.84 0.00 3.90 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 0.00 117 T 8.29 4.22 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 1.22 0.00 0.00 118 P 0.00 4.87 0.00 2.12 2.11 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 119 S 8.92 4.75 0.00 3.77 3.78 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 0.00 120 V 8.47 4.58 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 0.82 0.00 0.00 1.00 0.00 0.00 121 I 8.87 4.33 1.77 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 1.11 0.48 0.58 0.00 0.00 *123 G 8.31 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 0.00 0.00 0.00 124 D 8.77 4.47 0.00 2.70 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 0.00 125 G 9.21 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 0.00 0.00 0.00 126 H 7.83 4.70 0.00 3.20 3.55 0.00 5.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.44 5.23 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 1.21 0.00 0.00 128 I 8.83 4.43 1.84 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 1.30 0.98 0.78 0.00 0.00 129 S 8.52 4.64 0.00 3.67 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 0.00 130 H 8.51 4.17 0.00 3.12 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.19 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 0.79 0.00 0.00 0.93 0.00 0.00 132 T 7.79 4.64 4.20 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 1.18 0.00 0.00 133 K 9.11 4.11 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.48 7.81 134 S 7.32 4.52 0.00 3.65 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.45 0.00 1.93 1.93 0.00 3.47 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 136 I 7.84 4.44 1.91 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 1.08 0.60 0.84 0.00 0.00 *138 A 8.42 4.31 0.71 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 0.00 0.00 139 I 8.53 4.57 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.34 0.00 0.00 140 P 0.00 4.81 0.00 2.02 2.15 0.00 3.51 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 141 F 9.13 5.01 0.00 1.51 2.33 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 0.00 142 L 8.82 5.35 0.00 1.56 1.56 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 T 9.01 5.15 4.39 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 1.54 0.00 0.00 144 N 9.11 4.39 0.00 2.73 2.84 0.00 0.00 6.73 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 9.49 4.85 0.00 3.21 3.33 0.00 5.67 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 0.00 146 G 6.47 3.77 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 0.00 0.00 0.00 147 E 8.54 5.41 0.00 2.02 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 2.44 2.20 0.00 148 F 8.75 5.45 0.00 2.44 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 0.00 149 T 9.06 5.03 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 1.21 0.00 0.00 150 V 8.90 4.71 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 1.09 0.00 0.00 1.04 0.00 0.00 151 E 9.16 5.00 0.00 1.93 1.75 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 2.12 2.19 0.00 152 F 8.24 5.44 0.00 1.78 2.35 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 0.00 153 C 8.60 4.32 0.00 2.71 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 0.00 154 F 7.38 5.43 0.00 3.13 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 0.00 155 E 9.30 4.36 0.00 2.01 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 2.36 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.