NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3556 8.2493 123.5826 52.4715 20.0090 176.2807 2 T 4.6183 8.3858 110.5432 60.9735 71.2086 172.0579 3 K 5.2859 8.3321 123.2637 54.8579 37.1877 176.1703 4 A 5.4251 9.3329 124.6753 50.5728 23.3206 175.0884 5 V 5.0047 8.7583 117.4153 60.7096 35.5193 173.6117 6 C 4.9243 9.1183 122.0292 58.0409 35.3544 172.6023 7 V 4.5876 8.4473 126.1436 61.4670 33.0664 174.2517 8 L 4.7711 8.9812 129.5447 54.1166 42.9598 176.3041 9 K 4.8537 9.1729 122.2438 55.3651 37.1368 176.2568 10 G 4.3736 7.9989 108.5640 44.8144 0.0000 171.9094 11 D 4.5292 8.7909 117.7300 55.6450 41.7304 176.8887 12 G 4.3167 7.6247 108.9460 44.0611 0.0000 171.6106 13 P 4.4775 0.0000 0.0000 63.1590 32.1130 175.5175 14 V 4.2693 7.5378 120.7483 62.9930 32.0152 174.9556 15 Q 5.0739 8.0427 124.8268 55.2426 32.5251 173.5561 16 G 4.2371 7.8725 106.2141 46.2770 0.0000 171.8327 17 I 5.1386 7.8303 120.1249 59.3509 40.6846 174.9702 18 I 4.5242 8.8114 127.8306 59.4776 40.1293 174.3975 19 N 4.9664 8.5796 124.2449 51.4294 41.0755 173.9376 20 F 5.2837 8.9172 120.2903 55.7224 43.0008 173.7664 21 E 5.1907 9.7010 123.3283 54.8602 33.2486 174.1438 22 Q 4.6415 9.4198 127.6394 54.3090 29.3388 174.5018 23 K 4.1829 8.7935 124.4386 57.7161 32.9137 177.3074 24 E 4.6920 7.9116 118.5252 53.8814 31.6638 175.4821 25 S 4.2145 8.7021 119.5903 60.4396 63.2699 174.2058 26 N 4.2063 8.9473 119.9380 53.8104 36.0230 174.3681 27 G 4.0252 7.9387 108.3777 43.3663 0.0000 171.9275 28 P 4.5654 0.0000 0.0000 62.7863 32.1669 176.4234 29 V 4.6075 8.9444 123.4256 61.3125 33.5777 174.7808 30 K 4.8620 9.2230 128.3306 55.9293 33.8447 175.9916 31 V 4.8136 9.2556 124.9361 60.8080 34.3153 174.2609 32 W 5.9989 7.8712 123.6376 55.4404 31.9584 175.4588 33 G 3.7024 7.6839 106.4248 45.8522 0.0000 171.0500 34 S 5.0979 7.7272 114.3446 56.8310 66.6040 174.4172 35 I 5.0076 8.7986 125.8135 59.3661 40.9834 174.6395 36 K 4.7751 9.2644 125.2456 55.5149 36.3188 176.9256 37 G 3.7882 8.8093 105.5397 46.6963 0.0000 173.4383 38 L 4.4574 7.5746 119.8651 53.1020 43.0783 176.4249 39 T 4.2409 8.1071 110.9152 60.9242 69.6412 174.2007 40 E 4.1190 8.6141 124.5987 57.2972 30.4532 175.2428 41 G 3.7701 8.1408 110.7354 44.0595 0.0000 172.2057 42 L 4.9005 8.2074 119.3112 54.5276 43.0523 176.4539 43 H 4.9963 9.1360 119.2848 53.6618 33.0273 173.2690 44 G 3.9606 9.2229 111.2417 46.8021 0.0000 172.3050 45 F 5.6290 9.2538 125.1141 56.7396 42.2305 173.0701 46 H 5.4719 9.0426 122.9823 53.8775 33.2851 172.9022 47 V 4.4170 8.8316 122.2288 62.5943 32.9522 174.8591 48 H 5.2115 9.4219 125.2267 53.9666 31.2639 175.3766 49 E 3.7131 8.9625 122.1415 58.6535 29.9795 177.1179 50 F 4.9887 8.3756 118.2524 54.7892 41.7705 176.9499 51 G 4.4178 8.3312 112.8115 44.1613 0.0000 174.3992 52 D 4.7281 7.8386 117.1528 52.7838 42.6240 174.1822 53 N 5.0822 8.4768 124.7741 53.4481 39.2272 176.4616 54 T 3.8882 8.4836 109.6223 63.4935 68.8923 174.2781 55 A 4.7111 7.9843 125.6140 51.5067 20.2308 176.3001 56 G 4.1971 8.0491 110.9869 47.3737 0.0000 175.9444 57 C 4.2104 8.5369 116.3549 62.4547 28.4674 175.7953 58 T 3.9834 7.5286 109.4142 63.7600 68.3009 175.1697 59 S 4.5901 7.8249 115.9686 57.9880 63.4848 175.5793 60 A 4.1849 7.3887 124.5686 52.9482 18.4643 179.0258 61 G 4.0435 7.4640 104.2833 43.9469 0.0000 171.3589 62 P 4.5928 0.0000 0.0000 62.0209 32.9171 175.5465 63 H 3.8387 8.7701 120.6355 56.8450 30.2808 174.3127 64 F 4.3060 9.1773 128.7424 58.6421 40.1016 174.3204 65 N 4.5309 7.9658 121.9913 51.8756 40.1948 170.5934 66 P 4.2037 0.0000 0.0000 62.1210 32.1595 177.0845 67 L 4.1173 8.4332 123.2329 57.0501 41.8761 178.4171 68 S 4.0636 8.0057 112.4284 60.7343 63.1356 174.5830 *80 R 4.1220 7.6818 119.5105 55.6064 31.0748 176.1601 81 V 3.4281 8.4666 121.5981 66.2382 31.5446 177.7117 82 G 3.7592 8.3458 106.6460 46.3655 0.0000 172.4936 83 D 4.9256 7.9635 120.5094 53.7362 40.3683 175.5521 84 L 4.5208 8.6705 126.4935 54.4672 42.9638 178.3580 85 G 4.0481 8.8507 105.8950 44.6556 0.0000 172.0689 86 N 5.6395 8.5222 118.8084 51.6998 41.5472 174.7906 87 V 4.3428 8.5589 114.9685 60.0858 34.8704 175.0119 88 T 4.9828 8.2272 119.1888 61.8447 71.0733 173.1630 89 A 4.6901 8.9776 129.8361 51.1655 20.6784 177.3182 90 D 4.8484 8.7296 122.0497 52.0109 41.7265 177.0507 91 K 4.0350 8.5191 117.0091 59.7212 32.6425 177.1438 92 D 4.5284 8.2901 117.6481 54.1406 41.3216 176.9555 93 G 4.0336 8.4924 108.4284 44.3896 0.0000 172.5474 94 V 4.7334 8.1301 119.9324 60.8464 33.6669 174.3515 95 A 5.2572 9.1294 130.1502 49.6134 20.9281 174.9755 96 D 4.9349 8.6496 122.9150 53.8008 42.3666 176.2448 97 V 4.2950 8.7917 123.8190 61.1215 34.1006 174.6640 98 S 4.7465 8.5486 122.7566 57.6273 64.2645 172.7654 99 I 4.8477 9.3921 128.1967 59.3541 41.6171 174.1146 100 E 5.1913 8.8654 125.1048 54.5108 32.1403 174.4682 101 D 4.9740 9.3308 126.3535 52.5058 44.4172 175.6984 102 S 4.6917 8.9625 118.7995 58.1982 63.7665 174.4739 103 V 4.0544 8.4140 122.1178 64.7175 32.1396 176.4329 104 I 4.1402 7.8002 111.1172 60.9706 38.2950 174.3079 105 S 4.6189 8.1476 114.3268 57.6509 65.2747 173.6241 106 L 4.5065 8.9330 123.4950 54.2892 41.4574 176.1864 107 S 4.4319 7.9739 112.7513 58.2076 64.9141 174.7877 108 G 3.8640 8.5020 108.1645 44.9023 0.0000 173.4765 109 D 4.5073 8.7728 117.3009 56.9621 41.0525 176.3403 110 H 4.9354 7.6612 115.5600 54.2430 29.6331 175.5844 *112 I 3.7588 8.1489 117.4204 59.6920 39.2057 175.5263 113 I 3.6890 7.3682 122.7568 63.0030 37.4636 176.3527 114 G 3.8114 9.3035 113.3785 45.4851 0.0000 173.1149 115 R 4.8468 7.4226 119.3934 54.9513 33.4976 174.6127 116 T 4.9898 8.0278 115.4010 62.0908 71.3737 173.6050 117 L 4.8363 8.6588 128.5610 53.9850 44.0332 175.3425 118 V 5.0280 8.9656 125.9263 61.0024 35.1702 174.1469 119 V 5.0186 8.5850 127.0034 60.5596 33.5185 174.9049 120 H 5.1898 9.0543 122.1055 54.2281 30.4047 174.9530 121 E 4.1988 9.2218 121.9793 58.8523 30.0579 176.6608 122 K 4.7531 8.5989 117.4958 53.7625 36.0874 175.8544 123 A 4.3610 8.3877 123.8548 52.2290 18.8298 176.8494 124 D 4.3858 9.5750 122.1907 53.1986 41.3260 175.7333 *139 N 4.3475 8.5837 124.5819 53.6380 39.6002 173.4569 140 A 4.4616 8.5803 127.5874 51.6115 19.6934 178.2266 141 G 3.7287 8.3655 105.5334 45.3527 0.0000 173.9784 142 S 4.3600 8.5293 114.9049 58.6832 64.6579 174.3579 143 R 4.4462 8.3388 120.2722 55.0978 29.8885 176.3895 144 L 4.2876 8.8180 125.9647 57.4928 42.9740 177.2639 145 A 5.0531 7.7534 117.9013 51.3381 22.7984 174.8132 146 C 5.4235 8.5143 113.7845 58.5900 33.7237 172.7698 147 G 4.6117 8.0962 103.7997 46.1214 0.0000 172.6009 148 V 4.3563 8.2827 121.5053 62.2679 32.8281 175.5951 149 I 4.1068 8.8907 129.5674 61.0139 37.8802 175.3493 150 G 4.3966 8.8973 114.8808 43.9311 0.0000 172.1247 151 I 4.2541 8.2863 121.6255 61.3077 37.0666 175.8897 152 A 4.6166 8.4550 127.9725 52.1915 21.3041 176.2673 153 Q 4.1756 7.8558 120.3747 56.9484 29.1326 173.2707 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 A 8.25 4.36 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.39 4.62 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 1.24 0.00 0.00 3 K 8.33 5.29 0.00 1.79 1.72 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.55 1.51 7.81 4 A 9.33 5.43 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 0.00 0.00 0.00 0.00 0.00 5 V 8.76 5.00 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 0.81 0.00 0.00 0.98 0.00 0.00 6 C 9.12 4.92 0.00 3.12 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 7 V 8.45 4.59 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.98 4.77 0.00 1.70 1.59 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.17 4.85 0.00 1.64 1.62 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.00 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 0.00 0.00 0.00 0.00 11 D 8.79 4.53 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.62 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 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.22 2.28 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 14 V 7.54 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 15 Q 8.04 5.07 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 16 G 7.87 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 0.00 0.00 0.00 17 I 7.83 5.14 1.83 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 1.21 1.27 0.84 0.00 0.00 18 I 8.81 4.52 1.85 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 1.26 1.22 0.45 0.00 0.00 19 N 8.58 4.97 0.00 1.44 1.48 0.00 0.00 6.42 8.80 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 20 F 8.92 5.28 0.00 2.79 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 21 E 9.70 5.19 0.00 2.42 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 0.00 2.33 2.57 0.00 22 Q 9.42 4.64 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 23 K 8.79 4.18 0.00 1.82 1.89 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.56 7.81 24 E 7.91 4.69 0.00 2.06 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 2.30 2.36 0.00 25 S 8.70 4.21 0.00 3.87 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 26 N 8.95 4.21 0.00 2.89 2.95 0.00 0.00 6.96 7.65 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 27 G 7.94 4.03 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 0.00 0.00 0.00 28 P 0.00 4.57 0.00 1.99 2.13 0.00 3.68 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 2.05 2.12 0.00 29 V 8.94 4.61 2.22 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 1.35 0.00 0.00 1.09 0.00 0.00 30 K 9.22 4.86 0.00 2.03 1.91 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.45 7.81 31 V 9.26 4.81 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 0.68 0.00 0.00 1.04 0.00 0.00 32 W 7.87 6.00 0.00 3.49 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 33 G 7.68 3.70 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 0.00 0.00 0.00 34 S 7.73 5.10 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.80 5.01 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.89 0.00 0.00 36 K 9.26 4.78 0.00 1.72 1.87 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.33 7.81 37 G 8.81 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 38 L 7.57 4.46 0.00 1.81 1.43 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.11 4.24 4.27 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 1.24 0.00 0.00 40 E 8.61 4.12 0.00 1.95 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 2.30 2.47 0.00 41 G 8.14 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 42 L 8.21 4.90 0.00 1.51 1.59 0.92 0.93 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 43 H 9.14 5.00 0.00 3.00 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.22 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.25 5.63 0.00 3.01 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 46 H 9.04 5.47 0.00 3.15 2.84 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.83 4.42 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 0.87 0.00 0.00 0.86 0.00 0.00 48 H 9.42 5.21 0.00 3.02 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.96 3.71 0.00 1.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.03 0.00 50 F 8.38 4.99 0.00 3.11 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 51 G 8.33 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.84 4.73 0.00 2.62 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 53 N 8.48 5.08 0.00 2.81 2.71 0.00 0.00 6.88 7.22 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 54 T 8.48 3.89 4.22 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 1.22 0.00 0.00 55 A 7.98 4.71 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 56 G 8.05 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 0.00 0.00 0.00 0.00 57 C 8.54 4.21 0.00 2.98 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 58 T 7.53 3.98 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 59 S 7.82 4.59 0.00 4.07 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 60 A 7.39 4.18 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 61 G 7.46 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 62 P 0.00 4.59 0.00 2.07 2.00 0.00 3.65 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 2.24 2.14 0.00 63 H 8.77 3.84 0.00 3.03 3.13 0.00 5.93 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 64 F 9.18 4.31 0.00 2.97 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 65 N 7.97 4.53 0.00 2.49 2.50 0.00 0.00 7.26 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.20 0.00 1.95 1.91 0.00 3.14 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 67 L 8.43 4.12 0.00 1.61 1.70 0.90 0.88 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 68 S 8.01 4.06 0.00 3.97 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 *80 R 7.68 4.12 0.00 1.66 1.75 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 81 V 8.47 3.43 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.53 0.00 0.00 82 G 8.35 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 0.00 0.00 0.00 83 D 7.96 4.93 0.00 2.64 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 84 L 8.67 4.52 0.00 1.94 1.86 0.74 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.85 4.05 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 0.00 0.00 0.00 86 N 8.52 5.64 0.00 2.62 2.73 0.00 0.00 6.64 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 87 V 8.56 4.34 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 -0.05 0.00 0.00 0.82 0.00 0.00 88 T 8.23 4.98 4.22 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 1.20 0.00 0.00 89 A 8.98 4.69 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 90 D 8.73 4.85 0.00 2.90 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 91 K 8.52 4.03 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.29 4.53 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.49 4.03 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 0.00 0.00 0.00 94 V 8.13 4.73 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 1.00 0.00 0.00 0.92 0.00 0.00 95 A 9.13 5.26 1.15 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 96 D 8.65 4.93 0.00 2.56 2.61 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 97 V 8.79 4.29 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 0.88 0.00 0.00 0.59 0.00 0.00 98 S 8.55 4.75 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.39 4.85 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 1.01 0.00 0.00 100 E 8.87 5.19 0.00 1.97 1.83 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 2.21 2.31 0.00 101 D 9.33 4.97 0.00 2.87 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 0.00 102 S 8.96 4.69 0.00 4.03 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 0.00 103 V 8.41 4.05 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 0.74 0.00 0.00 0.94 0.00 0.00 104 I 7.80 4.14 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 1.01 0.00 0.00 105 S 8.15 4.62 0.00 3.81 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 0.00 106 L 8.93 4.51 0.00 1.78 1.64 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.97 4.43 0.00 3.97 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 0.00 108 G 8.50 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 0.00 0.00 0.00 109 D 8.77 4.51 0.00 2.57 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 0.00 110 H 7.66 4.94 0.00 3.21 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.15 3.76 1.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.29 0.87 0.00 0.00 113 I 7.37 3.69 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.83 0.00 0.00 114 G 9.30 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 0.00 115 R 7.42 4.85 0.00 1.55 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.00 116 T 8.03 4.99 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 1.20 0.00 0.00 117 L 8.66 4.84 0.00 1.78 1.54 0.44 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.97 5.03 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 0.71 0.00 0.00 0.76 0.00 0.00 119 V 8.58 5.02 2.25 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 0.79 0.00 0.00 0.94 0.00 0.00 120 H 9.05 5.19 0.00 3.17 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.22 4.20 0.00 2.01 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 0.00 2.36 2.34 0.00 122 K 8.60 4.75 0.00 1.69 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 123 A 8.39 4.36 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 0.00 124 D 9.57 4.39 0.00 2.69 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 *139 N 8.58 4.35 0.00 2.74 2.78 0.00 0.00 7.18 7.96 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 0.00 140 A 8.58 4.46 1.20 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 0.00 0.00 0.00 141 G 8.37 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.53 4.36 0.00 3.95 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 0.00 143 R 8.34 4.45 0.00 1.67 1.84 0.00 3.23 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 144 L 8.82 4.29 0.00 1.70 1.69 0.92 0.48 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 0.00 145 A 7.75 5.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.51 5.42 0.00 3.02 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 0.00 147 G 8.10 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 0.00 148 V 8.28 4.36 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 0.77 0.00 0.00 0.94 0.00 0.00 149 I 8.89 4.11 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.34 0.40 0.00 0.00 150 G 8.90 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 0.00 0.00 0.00 0.00 151 I 8.29 4.25 1.85 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 1.25 0.54 0.90 0.00 0.00 152 A 8.45 4.62 1.20 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 0.00 0.00 0.00 153 Q 7.86 4.18 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.60 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.