NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2044 8.2601 123.5776 52.1079 19.8165 176.4872 16 A 4.3388 8.4051 125.4494 52.3925 19.8941 174.9832 17 W 6.1461 7.8079 109.8037 56.7330 31.7905 172.8472 18 R 4.7469 8.8670 120.6544 55.2770 33.0991 173.5391 19 R 4.9393 9.2571 127.2291 55.8731 31.5128 175.3570 20 A 4.7331 9.2814 129.1958 51.0782 22.0747 176.5233 21 G 4.0146 8.4980 113.6514 47.8462 0.0000 175.8392 22 D 4.3598 8.8921 126.4256 55.5196 41.3682 175.8053 23 F 5.0323 8.1105 117.7349 56.7687 40.7747 174.8635 24 I 5.0260 8.7085 122.9995 59.5992 40.1065 174.4398 25 F 5.1838 9.6656 125.3441 55.7732 41.4600 174.4212 26 L 5.3017 8.3164 123.8215 52.9152 43.2249 176.8760 27 S 4.3194 8.6821 119.6809 58.6872 63.6455 174.7500 28 G 4.1541 8.7125 109.2785 46.4419 0.0000 172.5580 29 I 4.7923 8.7660 124.4908 59.1907 39.8201 175.0571 30 I 4.7227 8.3426 119.8618 58.5011 40.6782 174.4169 31 P 4.6692 0.0000 0.0000 61.7919 30.4124 173.3795 32 V 4.6768 7.6963 119.5794 59.9489 34.0877 174.7016 33 N 4.5532 9.4973 125.7028 53.2538 38.8343 173.7445 34 P 4.3957 0.0000 0.0000 64.5704 31.9119 177.1082 35 L 4.5568 7.9357 117.0952 54.9248 42.4149 176.6265 36 T 4.4178 7.3533 108.2798 60.3110 69.4560 174.9590 37 G 4.1622 8.5060 109.6571 46.5920 0.0000 173.1735 38 T 4.7092 7.0953 108.9845 59.1810 72.4956 172.9058 39 I 4.4387 8.0854 122.9123 60.4639 37.8859 176.4074 40 V 3.7668 8.0538 127.7269 63.5545 31.4046 175.4677 41 N 4.8380 10.3078 123.1796 51.4693 38.8994 173.9403 42 G 3.7489 7.5219 105.9656 45.6599 0.0000 173.3070 43 F 4.4360 7.9679 117.0066 60.5846 38.9722 177.8790 44 Q 4.0499 8.2374 117.4837 59.1422 28.2699 177.0628 45 D 4.6956 8.2291 116.4388 55.0567 41.1519 176.3378 46 V 4.5049 7.5444 112.5390 58.3582 34.9303 173.9351 47 P 4.3518 0.0000 0.0000 62.2755 31.7343 177.1523 48 E 3.8483 8.9156 122.2268 59.1430 29.0649 177.6704 49 P 4.3039 0.0000 0.0000 65.3679 31.4488 178.4788 50 V 3.4445 7.5156 118.2193 65.4756 31.2583 178.0244 51 R 3.6409 7.3651 116.9824 59.1221 29.8791 178.3656 52 E 3.7762 7.9450 118.3464 59.2339 29.3785 178.3787 53 L 3.9278 7.1686 118.4266 58.2603 42.2623 178.7677 54 L 4.3389 8.0290 117.5903 55.8983 41.5532 177.9859 55 G 4.1519 7.8595 107.1144 45.0463 0.0000 173.6638 56 A 3.8922 7.5387 122.2741 52.6941 18.4650 178.4291 57 T 4.3454 9.1312 110.7133 60.9868 70.3673 175.7009 58 G 3.9829 8.1994 110.5043 45.5842 0.0000 173.9539 59 E 4.3111 7.8176 120.1634 55.4650 30.6331 176.5708 60 F 4.1473 9.0398 126.6276 62.0544 39.5370 177.6852 61 S 3.9386 8.1297 113.7820 61.5252 62.8670 176.4982 62 T 3.8978 7.9206 118.0223 66.9149 68.1401 176.1543 63 D 4.5611 8.1512 120.2958 57.1561 40.7294 178.3761 64 A 3.7802 7.6653 120.4818 55.3393 18.3083 179.5285 65 K 3.9998 7.7512 115.7715 58.8307 32.5827 178.8681 66 Q 3.7872 8.1204 117.2788 57.3944 29.0557 178.0282 67 G 2.4839 7.7984 108.4298 46.9173 0.0000 173.7502 68 P 4.1328 0.0000 0.0000 65.2598 31.4253 178.6207 69 I 3.5877 7.2917 116.8601 63.9057 37.9728 177.7602 70 L 4.1004 7.8046 119.7206 57.8022 41.5045 179.3737 71 A 4.2540 8.1655 121.0865 55.3029 18.3788 179.7670 72 Q 4.0550 8.4650 116.9644 59.1984 28.7742 179.0775 73 S 4.3143 8.7242 116.8102 61.2174 62.7798 176.5240 74 W 4.1731 8.5863 131.1828 60.8401 30.6416 177.7434 75 Y 3.7048 8.5902 116.7405 60.7054 37.2459 178.8592 76 V 3.5522 7.7334 118.8011 66.0924 31.6852 178.2232 77 L 3.6191 7.5703 118.7204 57.5007 41.2693 179.1228 78 E 3.8724 7.7572 119.3125 58.7629 29.2983 179.0470 79 S 4.0581 7.5109 115.2026 61.3842 62.7710 176.5879 80 I 3.6546 7.6381 122.5376 64.2386 36.8909 178.2806 81 R 3.8418 8.0883 119.8107 59.7700 30.0524 178.8280 82 R 4.0260 7.9614 117.6280 59.3964 29.6770 179.2740 83 T 3.9234 7.9768 115.8173 66.6104 68.4498 177.0322 84 V 3.5292 8.0634 120.3107 65.6339 31.5259 177.8002 85 A 4.1819 8.7256 122.5629 54.6344 18.0199 179.7635 86 S 4.2069 7.8674 110.4920 60.4819 63.1058 175.4279 87 A 4.4711 6.9905 123.1940 51.5772 18.9961 177.7394 88 G 3.7857 8.1778 108.8687 45.8209 0.0000 174.4114 89 G 4.0811 7.5056 108.8135 44.5604 0.0000 173.2510 90 Q 4.5261 9.0560 120.5928 56.1650 29.6973 178.7921 *92 S 4.5286 9.1811 124.0053 58.9524 65.0912 174.5380 93 D 4.5085 8.1601 120.9139 56.0098 40.9217 176.1442 94 V 4.4957 7.6465 118.6882 62.1539 30.2131 174.8909 95 I 4.1483 8.5802 121.4472 62.4309 39.2336 175.9781 96 K 5.1418 8.0597 123.1325 54.4129 35.8019 174.9350 97 L 5.2728 9.0646 126.4696 52.9280 45.6893 175.3871 98 V 4.6382 8.8611 123.4490 61.1247 34.2912 174.2428 99 Q 4.7054 8.5432 126.0568 54.3679 32.2088 173.6754 100 Y 5.3706 8.7627 122.7360 56.2641 40.4648 175.1175 101 F 5.2126 9.3250 122.1688 55.8723 42.4642 176.4877 102 R 4.3131 8.5861 120.3423 57.6685 31.1713 176.4397 103 N 4.9592 8.2449 116.7091 50.7938 40.8740 174.4670 104 L 4.0719 9.6655 127.8453 57.4251 41.4212 178.8705 105 D 4.6907 8.2216 117.8790 56.6069 41.0282 177.2703 106 H 5.0073 8.7496 116.6827 56.5107 29.0676 176.6625 107 F 4.0703 8.4504 124.2666 61.1940 39.1399 175.0667 108 P 4.1099 0.0000 0.0000 65.7869 31.0955 178.2257 109 Y 4.0426 7.8135 114.8052 61.3352 37.9174 177.5188 110 Y 4.2262 8.3455 120.4407 60.9978 38.9273 178.2713 111 S 3.5863 8.2798 114.2290 60.7955 62.1120 175.9200 112 R 3.8355 7.6818 120.9554 59.5022 29.9059 178.4097 113 V 3.8676 7.5354 117.4419 65.9724 31.5889 177.9398 114 R 3.8797 7.8588 118.7323 59.2590 29.2591 178.5849 115 K 4.0481 7.9307 117.9586 59.5161 31.8374 178.9383 116 L 3.9945 7.5564 118.0706 57.7967 41.6566 178.9781 117 F 4.2313 8.3531 115.2699 57.4920 40.6080 175.7911 118 Y 4.7823 7.3380 115.3891 55.4595 37.7085 173.4102 119 P 4.4640 0.0000 0.0000 64.7479 32.5642 177.5829 120 D 4.8247 8.3141 115.4916 55.4622 42.8149 176.8583 121 Q 4.6295 7.7597 118.1376 52.2324 28.5310 172.8785 122 P 3.9256 0.0000 0.0000 62.4912 31.8348 175.3495 123 P 4.6342 0.0000 0.0000 61.9602 33.0162 175.6180 124 V 3.8686 9.1363 121.3607 63.0178 32.6617 174.6829 125 S 5.1192 8.4694 120.0416 56.9287 65.6156 173.0135 126 T 4.7371 8.7124 122.3840 61.7686 72.4113 173.1411 127 V 4.9894 8.2641 124.2565 61.5004 34.3856 174.6838 128 V 4.6004 8.8092 119.9855 59.7066 36.5391 174.0629 129 Q 5.0039 8.7117 124.1890 55.3746 30.0587 175.0974 130 V 4.5028 8.7150 120.2113 59.7380 34.9308 176.9559 131 S 4.2287 8.7065 116.4591 61.6302 63.0004 173.7321 132 E 4.4870 7.4643 116.9817 55.7318 32.0656 173.7615 *134 L 4.1264 8.2374 117.9454 54.2307 42.5368 175.3687 135 P 4.4897 0.0000 0.0000 64.0333 32.1362 174.7919 136 D 4.4495 7.2995 116.9842 52.7344 41.4661 175.2433 137 A 4.2646 8.4929 120.7312 53.7352 18.3113 178.2195 138 T 4.1695 8.6011 106.0137 62.0115 69.5359 175.3601 139 V 3.7287 7.3465 123.8123 62.9962 31.8750 175.2212 140 L 4.6156 9.2190 127.1188 55.3670 43.7622 176.2627 141 I 4.4986 7.4073 117.5256 59.1241 41.2165 173.8906 142 E 4.8409 8.9986 129.0478 54.5004 33.4667 173.9142 143 V 4.7533 8.4906 125.6383 61.0869 34.7632 173.4796 144 E 4.8579 9.6166 129.5219 54.8887 31.1101 174.2326 145 A 5.3271 8.6915 128.4681 50.5458 22.3932 174.9832 146 T 4.6208 8.9359 118.1147 61.6554 71.9519 173.2075 147 V 4.8083 8.5901 126.3114 60.8169 34.2171 174.0122 148 W 4.6526 8.9193 135.0000 55.9163 31.3184 175.4938 149 L 4.2622 8.3061 130.5271 51.7280 41.9947 174.3570 150 P 4.2160 0.0000 0.0000 62.3749 30.9957 177.1000 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 15 A 8.26 4.20 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 16 A 8.41 4.34 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 17 W 7.81 6.15 0.00 3.50 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 18 R 8.87 4.75 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 19 R 9.26 4.94 0.00 2.14 2.08 0.00 3.33 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 20 A 9.28 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.50 4.01 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 0.00 0.00 0.00 22 D 8.89 4.36 0.00 2.63 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 0.00 0.00 0.00 0.00 23 F 8.11 5.03 0.00 2.88 2.37 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 24 I 8.71 5.03 1.68 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.80 0.00 0.00 25 F 9.67 5.18 0.00 3.09 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 26 L 8.32 5.30 0.00 1.75 1.69 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.68 4.32 0.00 3.86 3.86 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 28 G 8.71 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 29 I 8.77 4.79 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.92 0.00 0.00 30 I 8.34 4.72 1.85 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 1.40 0.64 0.92 0.00 0.00 31 P 0.00 4.67 0.00 2.04 2.44 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 32 V 7.70 4.68 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 0.68 0.00 0.00 0.96 0.00 0.00 33 N 9.50 4.55 0.00 2.67 2.73 0.00 0.00 6.61 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 34 P 0.00 4.40 0.00 2.28 2.24 0.00 3.95 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 35 L 7.94 4.56 0.00 1.71 1.78 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.35 4.42 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 1.29 0.00 0.00 37 G 8.51 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.10 4.71 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 1.24 0.00 0.00 39 I 8.09 4.44 1.82 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 1.19 0.77 0.88 0.00 0.00 40 V 8.05 3.77 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 0.60 0.00 0.00 -0.25 0.00 0.00 41 N 10.31 4.84 0.00 2.62 2.87 0.00 0.00 6.82 6.88 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 42 G 7.52 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 43 F 7.97 4.44 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.24 4.05 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 45 D 8.23 4.70 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.54 4.50 1.55 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 0.87 0.00 0.00 1.00 0.00 0.00 47 P 0.00 4.35 0.00 2.01 1.90 0.00 2.99 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 48 E 8.92 3.85 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 2.32 2.32 0.00 49 P 0.00 4.30 0.00 2.24 2.23 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 50 V 7.52 3.44 1.69 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 0.05 0.00 0.00 0.65 0.00 0.00 51 R 7.37 3.64 0.00 1.89 1.43 0.00 3.05 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 52 E 7.95 3.78 0.00 1.97 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 2.32 2.38 0.00 53 L 7.17 3.93 0.00 1.62 1.82 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.03 4.34 0.00 1.98 1.99 1.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.86 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 56 A 7.54 3.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.13 4.35 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 1.32 0.00 0.00 58 G 8.20 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 0.00 0.00 0.00 59 E 7.82 4.31 0.00 2.09 1.96 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 2.36 2.34 0.00 60 F 9.04 4.15 0.00 3.12 3.17 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 61 S 8.13 3.94 0.00 3.95 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 62 T 7.92 3.90 4.30 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 1.30 0.00 0.00 63 D 8.15 4.56 0.00 2.97 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 64 A 7.67 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.75 4.00 0.00 1.88 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 66 Q 8.12 3.79 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 67 G 7.80 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 0.00 0.00 0.00 68 P 0.00 4.13 0.00 1.99 1.97 0.00 3.28 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 69 I 7.29 3.59 1.56 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.43 0.60 0.00 0.00 70 L 7.80 4.10 0.00 1.64 1.86 1.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.17 4.25 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 72 Q 8.47 4.06 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 73 S 8.72 4.31 0.00 4.14 4.16 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 0.00 0.00 0.00 74 W 8.59 4.17 0.00 3.65 3.56 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 75 Y 8.59 3.70 0.00 3.32 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 76 V 7.73 3.55 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 1.00 0.00 0.00 0.99 0.00 0.00 77 L 7.57 3.62 0.00 0.80 0.13 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.76 3.87 0.00 1.16 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 1.47 1.82 0.00 79 S 7.51 4.06 0.00 4.08 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 80 I 7.64 3.65 1.92 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 1.41 0.81 0.90 0.00 0.00 81 R 8.09 3.84 0.00 2.13 1.95 0.00 2.98 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 82 R 7.96 4.03 0.00 2.06 1.94 0.00 3.12 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 83 T 7.98 3.92 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 1.33 0.00 0.00 84 V 8.06 3.53 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 0.90 0.00 0.00 0.87 0.00 0.00 85 A 8.73 4.18 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 86 S 7.87 4.21 0.00 4.13 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 87 A 6.99 4.47 0.81 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 88 G 8.18 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 0.00 0.00 0.00 89 G 7.51 4.08 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 0.00 0.00 0.00 90 Q 9.06 4.53 0.00 2.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.33 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 *92 S 9.18 4.53 0.00 4.07 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 93 D 8.16 4.51 0.00 2.85 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 V 7.65 4.50 2.32 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 0.96 0.00 0.00 1.01 0.00 0.00 95 I 8.58 4.15 1.93 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 1.31 0.92 1.01 0.00 0.00 96 K 8.06 5.14 0.00 1.83 1.68 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 97 L 9.06 5.27 0.00 1.62 1.55 1.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.86 4.64 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 0.57 0.00 0.00 0.92 0.00 0.00 99 Q 8.54 4.71 0.00 2.19 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 100 Y 8.76 5.37 0.00 2.79 2.82 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 0.00 101 F 9.33 5.21 0.00 3.01 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 0.00 102 R 8.59 4.31 0.00 1.75 2.04 0.00 3.07 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 103 N 8.24 4.96 0.00 2.68 2.54 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.67 4.07 0.00 1.71 1.56 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.22 4.69 0.00 2.76 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 0.00 106 H 8.75 5.01 0.00 3.64 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.45 4.07 0.00 2.74 3.06 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 0.00 0.00 0.00 108 P 0.00 4.11 0.00 1.84 1.95 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 109 Y 7.81 4.04 0.00 3.41 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 0.00 110 Y 8.35 4.23 0.00 3.38 3.38 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 0.00 111 S 8.28 3.59 0.00 3.06 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 0.00 112 R 7.68 3.84 0.00 1.81 2.16 0.00 3.47 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 113 V 7.54 3.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.15 0.00 0.00 114 R 7.86 3.88 0.00 1.15 1.64 0.00 3.20 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 115 K 7.93 4.05 0.00 2.07 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.61 7.81 116 L 7.56 3.99 0.00 2.12 1.72 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.35 4.23 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.34 4.78 0.00 3.03 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 0.00 119 P 0.00 4.46 0.00 2.18 2.17 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 120 D 8.31 4.82 0.00 2.69 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 0.00 121 Q 7.76 4.63 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 122 P 0.00 3.93 0.00 2.09 2.00 0.00 3.92 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 1.99 0.00 123 P 0.00 4.63 0.00 1.99 2.12 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 0.00 124 V 9.14 3.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 125 S 8.47 5.12 0.00 3.87 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 0.00 126 T 8.71 4.74 4.16 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 0.00 0.00 1.16 0.00 0.00 127 V 8.26 4.99 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 0.62 0.00 0.00 1.08 0.00 0.00 128 V 8.81 4.60 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 0.64 0.00 0.00 1.06 0.00 0.00 129 Q 8.71 5.00 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 130 V 8.72 4.50 2.10 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 1.00 0.00 0.00 0.99 0.00 0.00 131 S 8.71 4.23 0.00 3.86 3.92 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 0.00 132 E 7.46 4.49 0.00 1.85 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 2.12 2.26 0.00 *134 L 8.24 4.13 0.00 1.67 1.60 0.89 0.94 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 0.00 135 P 0.00 4.49 0.00 2.15 2.15 0.00 3.78 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 1.93 1.92 0.00 136 D 7.30 4.45 0.00 2.86 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 0.00 137 A 8.49 4.26 1.29 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 0.00 138 T 8.60 4.17 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 1.19 0.00 0.00 139 V 7.35 3.73 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 0.75 0.00 0.00 0.97 0.00 0.00 140 L 9.22 4.62 0.00 1.65 1.65 0.77 0.34 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 0.00 141 I 7.41 4.50 1.57 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.34 0.84 0.00 0.00 142 E 9.00 4.84 0.00 2.00 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 2.29 2.36 0.00 143 V 8.49 4.75 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 1.07 0.00 0.00 0.81 0.00 0.00 144 E 9.62 4.86 0.00 2.22 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 2.36 2.38 0.00 145 A 8.69 5.33 1.29 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 0.00 146 T 8.94 4.62 4.30 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 1.10 0.00 0.00 147 V 8.59 4.81 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 0.75 0.00 0.00 0.88 0.00 0.00 148 W 8.92 4.65 0.00 3.08 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 0.00 149 L 8.31 4.26 0.00 1.35 1.23 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.22 0.00 1.88 1.63 0.00 2.61 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.00 * Residues marked with a * may have inaccurate shift predictions.