NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4839 0.0000 0.0000 62.4239 33.4273 174.7168 2 L 4.9893 9.2591 123.4780 53.0770 44.6348 173.3071 3 L 5.0946 10.0504 128.0924 52.9492 44.8617 174.9628 4 K 5.0949 8.9705 123.9142 54.6476 35.1436 175.0254 5 F 5.2516 9.6142 124.6534 55.9166 41.5216 174.4055 6 D 5.5705 9.4141 124.0782 52.5087 43.2607 175.4975 7 L 4.9326 8.5599 122.4868 54.0357 44.6798 175.2421 8 F 5.1555 8.5141 117.9275 56.9089 39.8913 175.5554 9 Y 4.6383 8.3992 120.4316 57.7380 37.8728 176.5560 10 G 4.2289 8.7694 119.6693 46.3515 0.0000 173.7287 11 R 4.4702 7.4757 119.5014 55.4891 31.2488 176.8796 12 T 4.2135 8.6486 112.0117 61.5294 70.8365 175.5073 13 D 4.3416 8.6327 120.9605 57.4070 40.6845 178.9756 14 A 3.9670 7.9232 120.9146 55.2069 18.4796 179.5336 15 Q 3.9052 8.1305 116.5674 59.0915 28.7320 178.8701 16 I 3.5997 7.8264 120.8588 64.4024 37.1673 178.3742 17 K 3.8751 8.2870 120.5514 59.3288 31.9194 178.7278 18 S 4.0176 8.2654 113.7320 61.1990 62.3435 175.6927 19 L 3.8748 7.7991 122.8847 58.3773 41.7120 179.0528 20 L 3.6905 8.0152 119.0232 57.7137 41.5253 179.2772 21 D 4.3372 8.5634 119.0285 57.2442 40.7581 178.6897 22 A 3.9860 8.2378 121.1296 55.1664 18.3631 179.5356 23 A 4.0875 8.1474 119.2927 55.5756 18.4467 179.1496 24 H 4.2112 8.7517 117.2365 59.4692 29.8141 177.5711 25 G 3.5846 8.2414 107.1023 47.9188 0.0000 175.5302 26 A 4.0185 8.1000 123.5186 54.8452 18.2723 179.4312 27 M 3.0956 8.3604 117.0218 58.5186 32.3000 178.7194 28 V 3.4907 7.8013 118.5193 65.9071 31.4620 177.6343 29 D 4.3231 8.0259 117.5919 57.4269 40.7784 178.4971 30 A 4.1352 7.8549 119.8311 54.8394 18.5568 179.0040 31 F 4.8977 8.2220 114.2786 57.0100 39.5223 177.0012 32 G 3.9047 7.9857 105.9052 46.3113 0.0000 174.3419 33 V 3.9846 7.5983 111.8673 59.3784 32.7707 174.4184 34 P 4.3231 0.0000 0.0000 62.6356 31.6587 177.8786 35 A 4.0429 8.5637 124.0788 54.7065 18.4729 178.1475 36 N 4.6960 7.9346 111.3344 52.8567 37.8311 175.9765 37 D 4.5365 7.7000 120.6376 53.2826 39.3544 173.9481 38 R 4.3762 7.0977 118.7768 54.1239 32.5846 174.3150 39 Y 4.6448 8.3762 123.3102 56.9050 41.4770 174.0593 40 Q 5.4477 8.8018 122.7180 54.3762 32.9991 174.8159 41 T 4.8975 9.2420 112.4907 59.9352 72.7210 172.8297 42 V 4.9834 8.3690 121.5496 61.3874 34.6792 174.5184 43 S 4.7467 9.4271 123.7988 56.8136 65.4032 172.9367 44 Q 4.7900 8.2626 122.9447 54.4550 30.9931 174.2366 45 H 5.1483 8.4828 119.4296 53.9510 32.7617 173.9947 46 R 4.8040 9.5509 121.0269 55.1416 30.8760 175.9133 47 P 4.0090 0.0000 0.0000 65.9648 31.2648 178.1574 48 G 3.8453 8.2145 104.2972 47.1249 0.0000 173.3798 49 E 4.7503 8.5634 117.7687 56.1055 30.7801 175.7065 50 M 4.6970 8.0344 117.8546 53.6064 35.9367 174.4602 51 V 4.3206 8.4159 121.9759 61.0538 33.4305 174.8555 52 L 4.7211 8.5586 127.0718 53.2745 44.2915 175.6791 53 E 4.8138 8.5532 128.6025 55.7939 30.5878 177.2587 54 D 4.7462 8.3223 123.6674 53.9963 40.8801 175.4793 55 T 3.5158 9.1258 113.6260 65.0333 66.0481 172.9797 56 G 3.8681 8.3940 106.3940 46.0218 0.0000 175.5480 57 L 3.7923 7.6133 119.9108 55.2627 41.9432 176.9925 58 G 3.5524 8.4466 106.5654 46.7183 0.0000 173.8471 59 Y 5.1988 7.3558 116.1320 56.4724 39.1439 176.1466 60 G 3.8469 8.8769 114.3555 46.4803 0.0000 172.4330 61 R 4.5517 8.1414 119.0508 54.7197 31.0560 176.3508 62 S 4.8381 9.3659 118.5989 56.0017 65.5230 174.8132 63 S 4.1925 8.5168 113.5122 60.3113 62.6175 174.6303 64 A 4.4081 7.9927 123.4862 52.4148 18.7595 177.8605 65 V 4.0310 7.7083 116.4219 62.3347 32.0378 175.9949 66 V 4.4088 9.3284 123.6219 61.0206 34.3482 173.6188 67 L 4.9991 8.7699 130.1883 53.2130 44.2806 174.4389 68 L 4.8822 9.1743 128.7995 53.5167 44.6909 174.8020 69 T 5.0051 8.9125 123.4586 61.8579 71.0122 173.5067 70 V 4.9054 8.9738 126.5121 61.1968 34.3680 174.0736 71 I 5.0937 8.7969 128.6149 59.8971 39.5506 174.6363 72 S 5.0861 9.0237 119.9134 56.7504 66.1825 173.6295 73 R 4.7885 8.4501 123.3611 54.8284 30.7834 174.8463 74 P 4.5507 0.0000 0.0000 62.4705 31.8512 176.3379 75 R 4.5800 8.1182 120.3162 53.5071 33.6269 176.3345 76 S 4.3108 8.4248 115.9646 58.1773 65.0129 175.1623 77 E 3.9701 8.6840 123.0530 59.6091 29.2848 179.0594 78 E 3.9943 8.1002 118.2322 59.3903 29.5805 179.0213 79 Q 4.1121 8.1166 118.1727 58.8874 28.7850 179.1391 80 K 3.9899 7.9608 119.0003 59.4315 31.9993 179.5373 81 V 3.6050 7.8382 118.5192 66.2982 31.4468 177.8710 82 C 4.1464 8.4793 116.8541 62.5496 27.9327 175.8218 83 F 4.1216 8.1509 122.3554 61.6373 38.9630 176.7585 84 Y 4.0911 7.2689 116.1709 60.9688 37.5421 179.0451 85 K 3.9649 7.8434 119.5189 59.3472 32.1584 179.3567 86 L 3.9353 8.3044 119.6564 57.6070 41.4465 179.4006 87 L 3.8303 8.1227 120.6649 58.4442 42.0278 179.2590 88 T 3.9278 7.8494 109.8141 64.4347 68.6640 176.7802 89 G 3.5260 8.2741 108.6716 47.6164 0.0000 175.6535 90 A 4.0163 8.3367 123.8610 54.7832 18.4727 179.6938 91 L 3.9649 8.1269 117.7695 57.8547 41.4963 179.4099 92 E 4.3425 8.2787 120.6393 58.7576 29.3740 178.9589 93 R 3.8900 7.8909 117.4658 59.4086 30.3521 177.5561 94 D 4.6505 8.3825 116.8217 55.2546 41.4222 176.9356 95 C 4.6457 7.8282 114.0795 58.2737 30.0309 174.5381 96 G 3.8921 7.8022 107.2052 46.2829 0.0000 173.3725 97 I 4.1053 7.4670 120.8771 59.4554 38.1868 175.5067 98 S 4.3222 8.6558 120.1284 57.9279 62.3282 173.1008 99 P 4.4103 0.0000 0.0000 65.7221 31.4892 177.6855 100 D 4.2502 8.0934 116.7336 56.0096 41.0116 176.7677 101 D 5.0435 8.4242 119.6629 53.7893 42.2662 175.5852 102 V 4.7377 7.3982 117.8683 61.1607 33.9959 174.8685 103 I 4.5755 8.8406 128.4532 59.4018 40.5726 174.6911 104 V 4.9537 8.2612 124.9274 61.0036 34.6462 174.3302 105 A 4.8132 9.1000 128.1875 50.1703 22.1335 174.7792 106 L 5.3365 8.7714 121.5041 53.0105 44.8336 176.1690 107 V 4.5416 8.8902 121.4087 61.2681 35.1143 173.9528 108 E 5.4508 8.8303 125.9887 54.9754 32.5799 174.9364 109 N 5.2677 8.9839 120.0996 51.9141 41.2250 171.9538 110 S 4.8822 8.9409 112.6170 57.0545 66.2541 173.9669 111 D 4.3839 8.8069 118.6027 57.7524 40.4813 177.6763 112 A 4.2946 7.6200 118.9661 53.6106 18.5340 177.3038 113 D 4.7455 8.0841 115.1307 53.3332 41.1200 176.2115 114 W 4.5867 7.8938 119.0638 54.7183 32.5242 174.3302 115 S 5.1443 7.9931 115.4415 55.4775 63.5334 173.5481 116 F 4.3544 9.7235 127.6770 58.2388 39.4696 176.3088 117 G 4.0195 8.1015 109.6714 46.3756 0.0000 173.3369 118 R 3.6127 9.5044 117.1741 56.5837 27.5983 177.2255 119 G 3.9138 8.2097 103.2777 46.2638 0.0000 174.2183 120 R 4.3100 7.8978 118.4996 55.0331 31.3359 175.9026 121 A 4.8364 7.9926 124.9493 50.0755 18.9368 177.4475 122 E 4.2384 8.2351 124.5609 58.8424 29.6287 178.7829 123 F 4.7021 7.9668 117.0764 60.2277 38.7781 177.3429 124 L 4.2453 8.0250 118.6917 58.0025 41.7014 179.1744 125 T 4.0384 8.3117 109.1540 62.6082 68.5772 176.1094 126 G 4.0820 7.5175 109.9635 45.5960 0.0000 174.0817 127 D 4.5009 8.1298 119.7884 56.3866 41.0278 176.7644 128 L 4.7997 7.7376 118.9892 53.3968 45.0830 177.5303 *129 V 3.9411 8.3908 117.1045 61.0820 31.7250 176.5191 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 P 0.00 4.48 0.00 2.08 2.25 0.00 3.69 0.00 0.00 3.64 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 2 L 9.26 4.99 0.00 2.17 1.76 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 L 10.05 5.09 0.00 1.79 1.27 1.08 0.67 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 4 K 8.97 5.09 0.00 1.64 1.72 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 5 F 9.61 5.25 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.41 5.57 0.00 2.48 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 7 L 8.56 4.93 0.00 1.67 1.72 0.87 0.96 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 8 F 8.51 5.16 0.00 3.23 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.40 4.64 0.00 2.93 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 10 G 8.77 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.48 4.47 0.00 1.83 1.87 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 12 T 8.65 4.21 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 1.26 0.00 0.00 13 D 8.63 4.34 0.00 2.79 2.76 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 14 A 7.92 3.97 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 15 Q 8.13 3.91 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 I 7.83 3.60 1.97 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 1.35 0.79 0.80 0.00 0.00 17 K 8.29 3.88 0.00 1.77 1.94 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.40 7.81 18 S 8.27 4.02 0.00 3.90 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 19 L 7.80 3.87 0.00 1.84 1.74 0.70 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.02 3.69 0.00 1.71 1.77 0.81 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.56 4.34 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.24 3.99 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 23 A 8.15 4.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.75 4.21 0.00 3.37 3.51 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.24 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 26 A 8.10 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.36 3.10 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.71 0.00 28 V 7.80 3.49 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 1.00 0.00 0.00 0.73 0.00 0.00 29 D 8.03 4.32 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.85 4.14 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 31 F 8.22 4.90 0.00 2.96 2.87 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 32 G 7.99 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 33 V 7.60 3.98 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 0.76 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.32 0.00 2.26 1.95 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 35 A 8.56 4.04 1.28 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 0.00 0.00 0.00 36 N 7.93 4.70 0.00 2.73 2.86 0.00 0.00 6.00 8.06 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 37 D 7.70 4.54 0.00 2.62 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 38 R 7.10 4.38 0.00 1.46 1.45 0.00 2.75 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 39 Y 8.38 4.64 0.00 3.27 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 40 Q 8.80 5.45 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 41 T 9.24 4.90 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 1.31 0.00 0.00 42 V 8.37 4.98 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 0.78 0.00 0.00 0.82 0.00 0.00 43 S 9.43 4.75 0.00 3.91 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 44 Q 8.26 4.79 0.00 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 45 H 8.48 5.15 0.00 2.93 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 9.55 4.80 0.00 2.03 1.97 0.00 3.21 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 47 P 0.00 4.01 0.00 2.02 2.01 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 48 G 8.21 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 49 E 8.56 4.75 0.00 2.22 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 0.00 2.31 2.35 0.00 50 M 8.03 4.70 0.00 1.72 1.41 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 51 V 8.42 4.32 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 0.88 0.00 0.00 0.98 0.00 0.00 52 L 8.56 4.72 0.00 1.69 1.58 0.86 0.93 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 53 E 8.55 4.81 0.00 1.96 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 2.26 2.30 0.00 54 D 8.32 4.75 0.00 2.71 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 55 T 9.13 3.52 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 56 G 8.39 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 57 L 7.61 3.79 0.00 0.71 0.87 0.86 0.72 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 58 G 8.45 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.36 5.20 0.00 2.94 2.76 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 60 G 8.88 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 61 R 8.14 4.55 0.00 1.88 1.97 0.00 3.40 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 62 S 9.37 4.84 0.00 3.94 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 63 S 8.52 4.19 0.00 3.93 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 64 A 7.99 4.41 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 65 V 7.71 4.03 2.41 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 0.87 0.00 0.00 0.97 0.00 0.00 66 V 9.33 4.41 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 1.24 0.00 0.00 1.06 0.00 0.00 67 L 8.77 5.00 0.00 1.74 1.57 0.94 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 68 L 9.17 4.88 0.00 1.47 1.38 -0.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.91 5.01 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 70 V 8.97 4.91 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 1.21 0.00 0.00 1.11 0.00 0.00 71 I 8.80 5.09 2.03 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 1.13 0.67 0.88 0.00 0.00 72 S 9.02 5.09 0.00 3.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 4.79 0.00 1.44 1.63 0.00 2.95 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.33 0.00 74 P 0.00 4.55 0.00 1.95 1.93 0.00 3.56 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 1.98 2.04 0.00 75 R 8.12 4.58 0.00 1.45 1.55 0.00 2.23 0.00 0.00 2.78 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 76 S 8.42 4.31 0.00 4.05 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 77 E 8.68 3.97 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 2.41 2.45 0.00 78 E 8.10 3.99 0.00 2.10 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 2.41 2.47 0.00 79 Q 8.12 4.11 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 80 K 7.96 3.99 0.00 1.91 1.67 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.59 7.81 81 V 7.84 3.61 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 1.08 0.00 0.00 1.07 0.00 0.00 82 C 8.48 4.15 0.00 3.10 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 83 F 8.15 4.12 0.00 2.69 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 84 Y 7.27 4.09 0.00 3.02 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 85 K 7.84 3.96 0.00 1.86 1.84 0.00 1.91 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 86 L 8.30 3.94 0.00 1.91 1.71 0.91 0.56 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 87 L 8.12 3.83 0.00 0.93 1.37 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.85 3.93 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 1.15 0.00 0.00 89 G 8.27 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 0.00 0.00 0.00 90 A 8.34 4.02 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 91 L 8.13 3.96 0.00 1.68 1.73 0.97 1.03 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 92 E 8.28 4.34 0.00 2.13 1.92 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 2.30 2.17 0.00 93 R 7.89 3.89 0.00 1.95 1.98 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 94 D 8.38 4.65 0.00 2.72 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 95 C 7.83 4.65 0.00 3.13 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 96 G 7.80 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 97 I 7.47 4.11 1.87 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 1.31 0.99 0.92 0.00 0.00 98 S 8.66 4.32 0.00 3.85 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 99 P 0.00 4.41 0.00 2.13 2.03 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 100 D 8.09 4.25 0.00 2.81 2.87 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 0.00 101 D 8.42 5.04 0.00 2.71 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 0.00 102 V 7.40 4.74 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 0.70 0.00 0.00 0.95 0.00 0.00 103 I 8.84 4.58 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.87 0.00 0.00 104 V 8.26 4.95 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 1.07 0.00 0.00 0.84 0.00 0.00 105 A 9.10 4.81 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 0.00 106 L 8.77 5.34 0.00 1.64 1.69 1.18 1.24 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 0.00 107 V 8.89 4.54 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 0.98 0.00 0.00 0.95 0.00 0.00 108 E 8.83 5.45 0.00 1.94 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 2.28 2.28 0.00 109 N 8.98 5.27 0.00 2.91 2.84 0.00 0.00 6.48 8.15 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 0.00 110 S 8.94 4.88 0.00 3.95 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 0.00 111 D 8.81 4.38 0.00 2.74 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 0.00 112 A 7.62 4.29 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 0.00 113 D 8.08 4.75 0.00 2.73 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 0.00 0.00 0.00 0.00 114 W 7.89 4.59 0.00 3.38 2.40 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 0.00 115 S 7.99 5.14 0.00 3.68 3.61 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 0.00 116 F 9.72 4.35 0.00 3.30 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.10 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 0.00 118 R 9.50 3.61 0.00 1.99 2.04 0.00 3.34 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 119 G 8.21 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 0.00 120 R 7.90 4.31 0.00 2.19 1.86 0.00 3.12 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 121 A 7.99 4.84 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 0.00 122 E 8.24 4.24 0.00 1.94 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 2.40 2.32 0.00 123 F 7.97 4.70 0.00 3.35 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 0.00 124 L 8.02 4.25 0.00 2.03 1.76 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.31 4.04 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 1.28 0.00 0.00 126 G 7.52 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 0.00 127 D 8.13 4.50 0.00 2.65 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 0.00 128 L 7.74 4.80 0.00 1.34 1.51 0.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *129 V 8.39 3.94 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.