NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3930 8.3344 115.4150 58.0987 64.3460 172.2528 3 V 4.3145 8.3091 123.4366 61.0566 33.0351 169.6488 4 V 4.4083 9.3744 122.9001 59.8607 34.0408 174.2735 5 I 5.0660 8.4113 126.7491 59.7835 38.7740 174.8975 6 E 4.8856 9.1087 123.7448 54.7070 33.4357 174.3697 7 R 4.0753 8.5888 121.5390 56.0381 30.8393 175.4227 8 I 4.7484 7.6507 118.3360 58.1073 40.8047 173.6061 9 P 4.4470 0.0000 0.0000 62.0996 32.2177 177.2504 10 K 3.8035 8.6544 119.6181 59.7454 31.9523 177.4982 11 E 4.3637 8.0656 112.7977 56.2125 29.7635 175.9733 12 A 4.7008 7.8697 120.6967 51.7659 19.6877 176.7174 13 I 3.8412 7.6872 112.0638 61.3867 38.3463 176.0190 14 P 4.5743 0.0000 0.0000 61.8017 28.9103 176.6789 15 K 3.9119 8.2845 126.7892 60.1750 32.0565 178.0028 16 S 4.1197 8.0982 113.3702 61.8736 62.7879 176.1554 17 L 4.1816 7.8629 123.7305 57.0271 42.0268 178.4900 18 L 4.1485 8.1061 118.9950 57.4239 41.2897 179.1487 19 L 4.7603 8.0791 119.7696 56.5193 41.6124 178.6552 20 L 4.0697 7.5389 120.0545 57.6063 42.0645 177.9877 21 A 4.7190 7.9335 118.7260 52.2663 20.1418 176.1537 22 D 4.6019 8.2505 116.2951 52.0787 42.5323 173.9771 23 P 4.4534 0.0000 0.0000 63.8267 31.8001 176.4396 24 S 4.8519 8.3586 114.3726 56.3544 63.9327 174.5656 25 E 4.0391 8.8790 127.9593 59.4177 28.9307 179.4513 26 R 3.9340 7.9387 115.8113 59.0648 29.1607 178.8494 27 Q 4.0266 8.0540 118.7626 58.8644 28.7640 178.5217 28 I 2.5179 7.6236 120.5128 64.0393 37.1745 178.0762 29 A 3.8520 7.8448 121.6236 55.3430 17.9043 179.6871 30 T 3.7716 7.3288 106.9680 65.3212 68.9581 176.2737 31 Y 4.3570 7.2870 120.7475 59.3167 37.8542 178.2149 32 V 3.7851 7.3702 113.6508 63.9460 31.6737 177.8464 33 Q 4.0885 7.7648 118.5137 58.6266 28.9835 177.4801 34 R 4.4108 7.7099 116.3928 58.2180 30.9407 175.6457 35 G 4.5438 8.0125 105.1814 44.2702 0.0000 171.5867 36 L 4.8785 9.0407 119.9329 53.2804 44.8694 175.9246 37 T 5.0341 8.3479 120.3767 62.0667 71.1618 173.1610 38 Y 4.8319 8.6378 123.0716 56.1330 41.7244 175.0751 39 V 4.9859 8.9018 115.5216 59.5533 35.7347 174.2364 40 A 5.1602 8.8737 124.8906 50.2999 21.4873 175.9363 41 K 5.0751 8.6641 121.7146 54.7845 35.6300 175.3642 42 Q 4.4896 9.0967 121.7412 56.1190 32.6688 173.9161 43 G 3.7727 9.2887 114.9875 46.6930 0.0000 174.2788 44 G 4.0270 9.6695 107.8272 44.7707 0.0000 173.7605 45 S 4.5884 7.4291 112.7249 56.3702 66.1534 173.1557 46 V 4.2651 8.2736 121.2804 62.8998 31.4745 175.3135 47 I 4.6015 9.0567 119.8672 60.4941 39.4146 175.0209 48 G 4.6875 7.8353 109.3443 45.5075 0.0000 172.0015 49 V 5.2050 8.7169 118.5727 60.9438 35.1696 172.0062 50 Y 5.4848 8.7060 119.7315 55.8034 41.9410 173.6317 51 V 4.7621 9.0179 120.4735 61.3069 34.8086 174.0545 52 L 5.1586 9.4945 127.8527 53.0881 44.1115 175.1581 53 L 4.9709 8.6644 124.9434 53.0678 44.9334 175.3147 54 E 4.3123 8.9070 127.6341 57.4756 30.1614 174.1938 55 T 4.1513 9.0332 116.8268 61.7905 68.9440 177.0842 56 R 4.1683 8.9568 118.3231 54.4762 31.5855 173.9198 57 P 4.3529 0.0000 0.0000 64.5537 31.7605 176.5191 58 K 3.8710 8.9097 119.5075 57.4536 29.8769 174.7774 59 T 5.4438 7.4104 115.7973 60.5810 71.6631 172.1163 *61 E 4.5413 8.2893 121.1986 56.5713 30.8028 175.7524 62 I 4.8179 8.5001 127.1707 60.4212 38.6212 174.8393 *64 N 4.5643 8.4491 121.2232 53.7539 40.3601 172.9181 65 I 5.2994 8.3171 124.6062 59.7127 41.3485 173.6796 66 A 4.8366 9.4177 130.3668 50.5054 22.9097 174.8454 67 V 4.9029 8.2944 120.0545 60.4358 34.8269 175.0965 68 A 3.9946 8.9596 129.1535 52.6091 18.6367 178.2523 69 E 3.8822 9.2397 122.4200 59.8375 29.6543 178.2377 70 H 4.5090 8.2111 111.0636 56.6754 29.1050 175.4717 71 L 4.5351 7.6341 119.2896 54.4418 42.3177 176.7347 72 Q 4.0960 7.9108 118.0236 56.6159 29.2510 175.4763 73 G 3.9954 8.6173 106.2710 47.1968 0.0000 174.2018 74 K 4.4995 8.1024 114.3456 55.6471 33.9711 177.8339 75 G 4.0049 8.4387 107.1314 45.8734 0.0000 176.1861 76 I 3.8775 7.7275 121.2610 64.0165 37.3070 177.9488 77 G 3.7776 8.1374 106.2303 48.0019 0.0000 175.1641 78 K 3.9574 8.1291 122.0376 59.1202 32.1954 178.7710 79 K 4.0284 7.9162 118.1601 59.4719 31.9561 179.3709 80 L 4.1536 8.1981 119.4149 57.5852 41.5381 179.4306 81 L 3.8134 7.8609 119.9819 58.3032 42.2395 179.2032 82 R 3.9360 7.9816 118.0571 59.4440 29.9421 178.6170 83 H 4.0571 8.2419 117.6565 59.0207 29.8666 176.9124 84 A 3.7024 7.8276 124.3252 54.6208 18.0521 180.0413 85 V 3.5213 7.7024 110.5391 64.5469 31.5041 178.7937 86 E 3.9008 7.9789 117.8160 59.6553 29.4266 179.4201 87 T 3.8059 8.2711 115.9530 66.7139 68.2901 176.5745 88 A 4.2283 8.0560 121.5839 54.8229 18.6579 179.5566 89 K 4.1393 8.3648 117.4547 59.6209 31.9452 179.3717 90 G 3.7699 7.9000 104.6712 48.3195 0.0000 174.5174 91 Y 4.5511 7.7050 115.3093 57.0340 38.5214 173.1293 92 G 3.5722 8.1495 114.1952 45.2347 0.0000 173.3779 *94 S 4.4944 8.1127 120.6312 57.0752 65.9687 173.4186 95 K 4.8063 8.1401 121.9599 54.2643 35.6798 174.4018 96 L 5.0025 8.4729 127.9881 53.3254 45.0309 174.6906 97 E 5.5571 8.8446 124.6784 54.8120 33.6235 175.1486 98 V 4.4113 8.5728 120.7234 60.2525 34.9025 173.6688 99 G 4.3283 8.3779 110.2683 44.9100 0.0000 172.0187 100 T 4.9027 8.5809 115.8940 59.9557 71.2287 173.6836 101 G 4.1861 8.6810 112.2768 45.6390 0.0000 174.4820 102 N 4.4602 8.8482 118.7968 55.4561 37.3824 176.5201 103 S 4.2176 7.7732 111.8466 60.2042 64.3396 175.3789 104 S 4.4089 7.6898 120.5825 57.6923 59.0823 174.9871 105 V 3.5473 7.3373 124.5070 65.9221 32.0421 177.1160 106 S 4.1064 7.8923 113.5239 61.2069 62.9528 176.3756 107 Q 3.4713 7.7757 121.4918 58.3858 28.2751 178.0061 108 L 3.9353 7.9202 120.0004 57.7906 41.5905 179.5297 109 A 3.9771 7.9915 120.4217 54.9663 18.3558 179.2960 110 L 3.8287 7.6669 118.7307 58.6393 42.2035 178.6232 111 Y 4.5544 7.8904 116.9169 61.6027 37.9358 179.0360 112 Q 4.9737 7.9568 120.0691 58.5143 28.5860 178.7984 113 K 4.0633 8.2313 118.9952 59.3993 32.1388 178.1474 114 C 4.5506 7.8546 114.3382 59.7576 28.3180 174.4414 115 G 3.9692 7.8602 109.0247 44.9271 0.0000 174.4415 116 F 4.5272 8.5132 119.6623 57.3429 40.4654 174.3222 117 R 4.9706 9.0358 123.5587 54.3139 32.5709 174.9352 118 I 4.5603 8.6057 127.7549 61.6531 37.0596 175.6739 119 F 5.0187 8.7787 120.5245 56.7790 39.8094 174.7472 120 S 4.4812 7.0025 112.1382 57.0493 65.8865 172.6815 121 I 4.3055 7.8600 123.8849 59.3521 39.7268 174.9019 122 D 4.5729 8.3537 127.3532 52.5232 40.9641 175.7265 123 F 4.5172 8.5231 125.3249 58.6717 39.7280 175.6856 124 D 4.8229 10.1860 123.2011 55.6847 39.3866 175.3994 125 Y 3.9838 7.7276 122.4213 61.1453 38.6151 178.1840 126 F 4.5393 8.4688 118.0866 60.5093 38.8781 177.9688 127 S 4.2763 8.3995 114.0516 61.1854 62.8295 175.9660 128 K 4.2105 7.7171 118.6223 58.2325 32.9635 177.6494 129 H 4.0991 7.6879 116.0262 55.6109 29.6075 174.7232 130 Y 4.8775 7.3895 116.9764 55.9459 40.9857 175.6613 131 E 4.1318 9.0740 123.7159 59.5192 29.9210 177.5258 132 E 4.2651 8.0431 117.1898 55.4520 30.3099 176.2090 133 E 4.1837 8.7551 124.8167 56.5301 30.8610 175.6636 134 I 4.4687 8.3509 126.2282 59.6295 39.6196 174.4302 135 I 4.9000 8.1942 127.2100 59.6200 40.4046 175.4538 136 E 4.2395 9.2789 126.7795 56.4014 31.3680 174.6142 137 N 4.3962 9.4049 124.5566 54.5393 35.6782 175.7717 138 G 3.9082 8.4453 104.3509 45.6787 0.0000 173.9557 139 I 4.3565 7.0955 120.8870 58.9400 38.9526 175.2516 140 V 3.9056 8.2150 125.3315 62.7406 31.7605 175.3868 141 C 4.2715 8.8345 128.8505 58.9720 30.4109 172.0399 142 R 4.7147 9.6629 127.8416 56.9911 32.6394 174.8013 143 D 5.2833 7.9165 117.6207 54.4468 44.9302 177.4017 *145 I 4.1176 8.2999 127.3991 62.2896 38.8722 174.0506 146 R 4.5352 8.7318 126.8407 54.6982 31.9183 175.6531 147 L 5.5867 8.9038 122.5033 53.5706 46.4509 175.8474 148 A 5.7210 8.7940 120.7969 51.1690 22.7653 174.1055 *150 E 4.2767 8.6290 115.5546 56.3364 30.6871 176.7876 151 L 4.2824 8.7239 125.6831 54.8751 41.4971 176.4686 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 4.39 0.00 4.01 3.95 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 3 V 8.31 4.31 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 0.83 0.00 0.00 0.95 0.00 0.00 4 V 9.37 4.41 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 0.72 0.00 0.00 1.00 0.00 0.00 5 I 8.41 5.07 1.86 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 1.44 0.58 0.75 0.00 0.00 6 E 9.11 4.89 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 7 R 8.59 4.08 0.00 1.34 1.72 0.00 2.50 0.00 0.00 2.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 8 I 7.65 4.75 1.80 0.00 0.00 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 1.17 0.82 0.85 0.00 0.00 9 P 0.00 4.45 0.00 2.35 2.18 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 10 K 8.65 3.80 0.00 1.74 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.45 7.81 11 E 8.07 4.36 0.00 2.05 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 0.00 2.21 2.22 0.00 12 A 7.87 4.70 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 13 I 7.69 3.84 1.86 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 1.65 0.61 0.90 0.00 0.00 14 P 0.00 4.57 0.00 2.30 2.26 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 15 K 8.28 3.91 0.00 1.82 1.92 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.50 7.81 16 S 8.10 4.12 0.00 4.03 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 17 L 7.86 4.18 0.00 1.81 1.73 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.11 4.15 0.00 1.95 1.79 0.95 0.65 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 19 L 8.08 4.76 0.00 1.86 1.76 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.54 4.07 0.00 1.64 1.89 0.93 1.24 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 A 7.93 4.72 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.60 0.00 2.87 2.86 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 23 P 0.00 4.45 0.00 2.04 2.05 0.00 3.28 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 24 S 8.36 4.85 0.00 4.05 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 25 E 8.88 4.04 0.00 2.06 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 2.40 2.38 0.00 26 R 7.94 3.93 0.00 2.01 2.16 0.00 2.95 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 27 Q 8.05 4.03 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 28 I 7.62 2.52 1.91 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 1.50 0.72 0.75 0.00 0.00 29 A 7.84 3.85 1.30 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 0.00 0.00 0.00 30 T 7.33 3.77 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 1.23 0.00 0.00 31 Y 7.29 4.36 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.37 3.79 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 0.66 0.00 0.00 0.90 0.00 0.00 33 Q 7.76 4.09 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 34 R 7.71 4.41 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 35 G 8.01 4.54 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 0.00 0.00 0.00 36 L 9.04 4.88 0.00 1.77 1.64 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.35 5.03 4.14 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 0.00 0.00 0.00 1.18 0.00 0.00 38 Y 8.64 4.83 0.00 1.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.90 4.99 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 0.69 0.00 0.00 0.91 0.00 0.00 40 A 8.87 5.16 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 41 K 8.66 5.08 0.00 1.68 1.69 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.35 7.81 42 Q 9.10 4.49 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.43 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 43 G 9.29 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 44 G 9.67 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 45 S 7.43 4.59 0.00 3.97 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 46 V 8.27 4.27 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 0.92 0.00 0.00 0.93 0.00 0.00 47 I 9.06 4.60 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 1.17 1.19 0.98 0.00 0.00 48 G 7.84 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.72 5.20 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 0.85 0.00 0.00 1.00 0.00 0.00 50 Y 8.71 5.48 0.00 3.17 3.10 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 51 V 9.02 4.76 2.27 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 1.20 0.00 0.00 1.12 0.00 0.00 52 L 9.49 5.16 0.00 1.78 1.63 1.08 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.66 4.97 0.00 1.59 1.48 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.91 4.31 0.00 1.96 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 2.27 2.44 0.00 55 T 9.03 4.15 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 56 R 8.96 4.17 0.00 1.89 1.90 0.00 3.16 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 57 P 0.00 4.35 0.00 2.03 2.01 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 58 K 8.91 3.87 0.00 1.93 1.87 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 59 T 7.41 5.44 4.35 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 1.30 0.00 0.00 *61 E 8.29 4.54 0.00 2.05 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 2.16 2.36 0.00 62 I 8.50 4.82 1.61 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 0.95 1.57 0.86 0.00 0.00 *64 N 8.45 4.56 0.00 2.97 2.92 0.00 0.00 6.26 7.94 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 65 I 8.32 5.30 1.94 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 1.38 1.23 1.01 0.00 0.00 66 A 9.42 4.84 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 67 V 8.29 4.90 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 0.83 0.00 0.00 0.96 0.00 0.00 68 A 8.96 3.99 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 69 E 9.24 3.88 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 70 H 8.21 4.51 0.00 3.27 3.41 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.63 4.54 0.00 1.63 1.64 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.91 4.10 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 73 G 8.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.50 0.00 1.84 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.54 7.81 75 G 8.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.88 1.88 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 1.59 0.56 0.94 0.00 0.00 77 G 8.14 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 0.00 0.00 0.00 78 K 8.13 3.96 0.00 1.85 2.02 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.58 7.81 79 K 7.92 4.03 0.00 2.09 1.89 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.58 7.81 80 L 8.20 4.15 0.00 1.93 1.87 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.86 3.81 0.00 2.08 1.81 0.89 1.10 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 82 R 7.98 3.94 0.00 1.93 1.97 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 83 H 8.24 4.06 0.00 3.41 3.55 0.00 5.61 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 84 A 7.83 3.70 0.70 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 85 V 7.70 3.52 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 0.74 0.00 0.00 0.92 0.00 0.00 86 E 7.98 3.90 0.00 2.04 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 2.48 2.44 0.00 87 T 8.27 3.81 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 1.40 0.00 0.00 88 A 8.06 4.23 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 89 K 8.36 4.14 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.59 7.81 90 G 7.90 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 91 Y 7.71 4.55 0.00 3.07 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 92 G 8.15 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.49 0.00 3.91 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 95 K 8.14 4.81 0.00 1.78 1.60 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.25 7.81 96 L 8.47 5.00 0.00 1.75 1.42 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.84 5.56 0.00 1.95 1.86 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 2.37 2.30 0.00 98 V 8.57 4.41 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 -0.57 0.00 0.00 0.13 0.00 0.00 99 G 8.38 4.33 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 0.00 100 T 8.58 4.90 4.51 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 1.25 0.00 0.00 101 G 8.68 4.19 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 0.00 102 N 8.85 4.46 0.00 2.83 2.97 0.00 0.00 6.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.77 4.22 0.00 4.10 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 0.00 104 S 7.69 4.41 0.00 3.94 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 0.00 105 V 7.34 3.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 106 S 7.89 4.11 0.00 4.01 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 0.00 107 Q 7.78 3.47 0.00 1.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 108 L 7.92 3.94 0.00 1.87 1.70 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.99 3.98 1.30 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 0.00 0.00 0.00 110 L 7.67 3.83 0.00 1.72 1.48 0.93 0.73 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 0.00 111 Y 7.89 4.55 0.00 2.94 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 0.00 112 Q 7.96 4.97 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 113 K 8.23 4.06 0.00 1.93 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 114 C 7.85 4.55 0.00 3.39 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.86 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 0.00 116 F 8.51 4.53 0.00 3.22 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 0.00 117 R 9.04 4.97 0.00 1.89 1.83 0.00 3.12 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 118 I 8.61 4.56 1.90 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 1.42 0.71 0.86 0.00 0.00 119 F 8.78 5.02 0.00 2.97 3.10 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 0.00 120 S 7.00 4.48 0.00 3.16 3.10 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 0.00 121 I 7.86 4.31 1.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.56 0.09 0.00 0.00 122 D 8.35 4.57 0.00 2.54 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.52 4.52 0.00 3.27 2.98 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 0.00 124 D 10.19 4.82 0.00 2.93 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 0.00 125 Y 7.73 3.98 0.00 3.18 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 0.00 126 F 8.47 4.54 0.00 3.50 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.40 4.28 0.00 3.91 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 0.00 128 K 7.72 4.21 0.00 1.75 1.88 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.19 7.81 129 H 7.69 4.10 0.00 2.46 2.34 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.39 4.88 0.00 3.11 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 0.00 131 E 9.07 4.13 0.00 2.02 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 2.33 2.35 0.00 132 E 8.04 4.27 0.00 1.99 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 2.33 2.37 0.00 133 E 8.76 4.18 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 134 I 8.35 4.47 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.40 0.74 0.00 0.00 135 I 8.19 4.90 1.84 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 0.58 0.92 0.00 0.00 136 E 9.28 4.24 0.00 1.84 1.67 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 2.14 2.21 0.00 137 N 9.40 4.40 0.00 2.89 2.89 0.00 0.00 7.21 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 0.00 138 G 8.45 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 0.00 139 I 7.10 4.36 1.93 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 1.16 0.92 0.89 0.00 0.00 140 V 8.21 3.91 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 0.88 0.00 0.00 0.93 0.00 0.00 141 C 8.83 4.27 0.00 2.64 2.56 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 0.00 142 R 9.66 4.71 0.00 1.88 1.98 0.00 3.19 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 143 D 7.92 5.28 0.00 2.62 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 I 8.30 4.12 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.82 0.00 0.00 146 R 8.73 4.54 0.00 0.67 1.24 0.00 2.96 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 147 L 8.90 5.59 0.00 1.59 1.68 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.79 5.72 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 E 8.63 4.28 0.00 1.92 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 2.13 2.36 0.00 151 L 8.72 4.28 0.00 1.47 1.50 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.