NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0435 8.1633 120.7032 55.1662 33.8055 173.8947 2 R 4.9324 9.1448 122.2041 51.7867 34.0341 169.7355 3 V 4.9810 8.5246 121.6999 60.0572 35.7123 173.8920 4 V 4.8074 9.0053 124.2599 61.4391 33.6369 174.1059 5 I 5.0174 8.9875 129.5026 59.7086 39.7358 174.6591 6 Q 5.1868 9.1529 126.0693 53.8000 32.3224 174.9000 7 R 4.3431 8.8533 125.0830 56.4694 31.3454 175.6831 8 V 5.0286 8.9084 118.5037 59.8458 35.7872 176.3900 9 K 4.1796 9.1579 122.3501 57.9264 32.9769 176.8916 10 G 4.3385 7.6844 105.2575 45.4577 0.0000 172.0468 11 A 5.2640 8.5889 121.1529 50.4574 23.4050 175.6561 12 I 4.7594 8.8592 121.5506 59.5091 40.7930 174.2266 13 L 4.9224 8.9034 130.6068 53.9760 43.6291 175.5798 14 S 5.3469 9.3732 121.5180 56.9314 67.3874 173.2944 15 V 4.9134 8.7613 117.1121 59.9003 35.8447 176.2560 16 R 4.3981 8.8422 122.6633 56.9798 30.1556 178.0463 17 K 4.2058 8.5949 122.1812 56.4587 32.5143 177.4607 *27 L 4.4654 7.4846 117.4988 54.3195 42.8422 175.8120 28 E 4.7572 9.0470 122.2965 54.4771 33.3142 174.4786 29 I 4.5909 8.4902 127.6024 61.5005 37.6173 175.7263 30 I 4.7001 8.6915 117.1554 60.3876 39.2036 174.9932 31 S 4.7042 7.8499 116.4979 57.5700 65.8363 172.2547 32 E 5.2812 8.4043 124.4431 55.2032 32.4009 174.0089 33 I 4.8465 8.8839 121.7718 59.0885 41.4939 175.9218 34 K 4.9203 9.0546 129.0929 53.8861 30.5480 178.3811 35 N 4.5710 8.6064 115.8776 54.2012 39.1872 175.4368 36 G 4.1965 7.1775 107.9386 45.9305 0.0000 170.4462 37 L 5.2105 8.0715 120.0421 53.0380 44.7942 175.4856 38 I 4.5955 8.4544 123.1981 59.5139 40.3488 173.9326 39 C 5.1913 8.6508 127.0836 57.9646 30.9458 173.1400 40 F 4.8635 9.2501 124.8442 56.6064 40.0496 174.7260 41 L 5.0607 9.7397 127.5445 53.2530 44.4914 175.0322 42 G 4.5246 9.6390 114.8468 44.7048 0.0000 171.8790 43 I 5.0173 8.7343 126.3329 60.3624 39.1220 174.8056 44 H 4.0190 9.5437 127.4543 54.5446 31.1185 175.7673 45 K 3.7064 7.8868 124.7274 59.2107 31.9411 177.6136 46 N 5.0060 8.2097 113.6736 52.9189 39.1418 174.2106 47 D 4.7360 7.6966 118.8849 54.2735 41.7095 176.6519 48 T 4.7656 8.7796 113.9798 59.7070 71.1373 175.5046 49 W 4.4665 8.9346 130.6399 60.7333 30.5112 177.5773 50 E 4.0202 8.0722 117.5177 59.2730 28.7101 179.0154 51 D 4.3074 8.1227 118.6846 57.3889 40.8844 178.6913 52 A 3.9816 8.0293 120.7014 54.9852 18.3321 179.2996 53 L 3.4024 7.6031 117.8821 57.9150 41.6331 179.0866 54 Y 3.8486 7.7625 119.0792 60.7214 38.6487 178.0674 55 I 3.6964 7.5490 120.3072 64.6819 37.2924 178.2709 56 I 3.1691 7.7112 122.8906 64.9050 36.6556 179.3264 57 R 3.7950 8.0072 121.5564 61.4890 29.2357 181.0124 58 K 4.0950 7.8853 119.6594 59.1266 31.7310 179.4096 59 C 4.2265 8.1942 116.7593 62.8970 28.2185 175.8479 60 L 4.2472 7.9900 118.8884 56.4914 41.3791 177.4100 61 N 4.9269 7.5451 113.3891 52.4894 40.7719 174.8987 62 L 3.9545 7.9034 119.9132 55.1572 42.0788 176.7880 63 R 4.7728 8.5875 123.1295 55.3083 28.9167 176.3867 64 L 5.1645 8.5722 119.9798 53.9649 43.0014 176.6196 65 W 4.6931 8.2766 119.5442 54.6941 31.6185 175.1591 66 N 4.8567 8.4102 118.5757 52.8492 39.2299 174.5718 67 N 4.8155 9.0996 121.4465 53.8323 42.9352 174.9650 68 D 4.3809 8.6621 128.1241 55.3408 38.4541 173.6997 69 N 4.5784 9.2753 119.4999 55.4443 38.0401 175.8621 70 K 4.6992 8.0563 118.7273 53.6581 33.8343 180.9913 71 T 4.7272 8.0385 109.8792 59.8006 71.9542 174.0001 72 W 4.2027 7.0882 119.0658 57.4065 26.9496 173.8188 73 D 4.9046 8.8306 119.2991 55.0449 43.6445 177.0746 74 K 4.9608 8.1667 117.1031 54.6606 34.9046 175.8978 75 N 5.7618 9.2577 121.8075 50.6249 39.8479 176.3060 76 V 3.3965 8.7262 118.3611 64.7456 31.0581 178.6295 77 K 3.5268 7.8598 118.5334 59.3703 31.8380 178.5235 78 D 4.2468 8.1414 118.0318 57.3077 40.8583 178.5195 79 L 3.9488 6.9184 115.4699 53.0789 41.8168 175.8578 80 N 4.3334 8.1827 116.2369 53.6684 37.8572 173.5872 81 Y 4.9063 7.8091 113.6284 57.1665 39.8519 174.6327 82 E 4.9363 8.8405 119.7710 55.0088 33.0750 175.3116 83 L 5.1098 8.6454 120.0234 53.0101 45.4561 175.6992 84 L 4.8303 8.8858 126.7492 53.7300 43.5397 175.0892 85 I 4.5702 8.6996 129.2368 59.8987 38.8692 175.1329 86 V 4.6023 8.7672 128.1119 60.6166 34.2195 174.8133 87 S 4.6895 8.7050 123.1617 58.6310 63.9218 174.7825 88 Q 4.4859 9.3099 125.2301 54.5458 29.3304 174.7768 89 F 4.5444 8.2401 119.0503 59.1758 38.7844 178.4064 90 T 4.2504 6.9207 111.2019 64.0119 68.3449 175.6568 91 L 3.9585 7.6525 121.1289 56.8268 41.6458 177.5642 92 F 4.7670 8.5525 116.5207 56.7825 39.2145 175.9142 93 G 3.4723 8.4040 111.4874 45.9772 0.0000 172.7545 94 N 4.6836 9.2745 125.9496 52.6203 39.7182 175.1355 95 T 4.4791 8.2166 113.3782 61.0763 69.8921 174.8196 96 K 3.9898 8.4431 125.5313 59.7441 32.6495 178.5404 97 K 4.4985 7.6696 118.0420 51.9428 31.7078 175.8908 98 G 4.1303 7.6668 107.4877 44.2817 0.0000 172.3281 99 N 4.5283 8.5572 115.5168 52.8780 38.7570 175.2671 100 K 4.3625 7.5945 120.6325 53.4416 32.6061 173.8958 101 P 4.3808 0.0000 0.0000 62.7123 31.8489 175.4223 102 D 4.5268 8.1664 120.1509 51.4700 42.1903 176.0500 103 F 5.4515 8.1079 118.3692 57.5349 39.7220 177.1702 104 H 4.4404 8.1396 119.0047 58.6385 29.1042 177.6276 105 L 3.9255 7.9607 118.2804 56.3180 41.9341 176.2945 106 A 4.1451 7.5570 121.5188 51.1535 18.6622 177.5164 107 K 3.7265 8.2067 124.7966 56.7435 32.8621 176.1924 108 E 3.9546 8.9156 127.3139 56.2250 30.4430 175.7474 109 P 4.4026 0.0000 0.0000 66.0172 30.9072 178.8309 110 N 4.3801 8.5427 117.5458 56.9473 38.5523 178.0813 111 E 4.0425 8.2622 118.7314 60.9288 29.8314 180.5224 112 A 4.3314 8.3396 122.2259 55.1426 18.3703 179.4530 113 L 2.9336 7.6173 118.2428 57.9873 41.9765 179.1645 114 I 3.6740 7.3604 119.0702 64.3774 37.0100 177.9332 115 F 4.0347 8.5472 121.5166 61.5943 39.1504 176.3322 116 Y 4.3837 8.9232 119.2536 61.1348 38.6814 177.8052 117 N 4.4077 8.8680 119.9606 57.0685 38.6886 178.1517 118 K 3.9912 8.5337 125.3367 59.8305 31.6943 181.1473 119 I 4.0518 8.2024 121.2345 64.4238 37.0360 178.6553 120 I 3.8754 8.1154 121.1071 64.3432 36.7784 178.2044 121 D 4.3766 8.2969 119.8427 57.4060 40.6032 178.4221 122 E 3.9938 8.4350 119.7293 59.2425 29.4915 178.6846 123 F 4.2034 8.3173 117.8444 60.8360 38.8671 177.9091 124 K 4.1466 8.3935 120.3460 59.9682 31.5731 180.3221 125 K 4.1049 8.1514 123.5759 59.6621 31.8027 181.0819 126 Q 4.5604 8.3451 116.8885 55.5479 29.2061 175.6689 127 Y 4.9288 8.3553 117.7603 57.3851 39.3494 175.3247 128 N 4.7296 5.7700 109.8481 52.2233 43.3705 173.6308 129 D 4.2856 8.8730 125.2648 57.5154 41.3908 177.3942 130 D 4.2612 9.0429 117.0081 55.5902 41.5339 176.4529 131 K 4.1118 7.7517 117.3061 56.7939 32.5304 175.5194 132 I 4.6833 6.9970 120.2482 59.6458 38.3039 175.4042 133 K 4.6773 8.9782 127.7910 55.1022 34.4938 175.7791 134 I 5.2172 7.5555 114.4597 58.6795 41.4049 173.7537 135 G 4.0955 8.3471 111.2576 44.9588 0.0000 174.5179 136 K 4.4292 8.4224 121.1123 52.8724 30.7820 172.4456 137 F 3.9925 8.6782 127.3442 59.0602 39.4724 175.9877 138 G 3.9672 8.1873 115.1252 45.6140 0.0000 172.8334 139 N 4.9448 7.6182 116.5583 51.2419 40.4728 174.2886 140 Y 4.0969 8.4773 122.0330 58.1154 39.4647 175.1819 141 M 4.9208 7.2927 125.1843 53.4119 36.3869 174.0393 142 N 4.7434 9.2760 121.2273 51.9903 41.2519 173.4626 143 I 4.9672 8.2471 126.9475 59.5268 39.8499 174.9763 144 D 4.6191 8.7713 128.8235 53.7923 41.8015 175.8939 145 V 4.6297 8.3774 123.6530 61.4246 34.2030 175.3601 146 T 4.3932 8.7500 125.4884 62.2247 68.7031 173.2541 147 N 4.8052 8.5976 124.1294 53.2580 39.4125 174.7575 148 D 4.2878 10.1262 125.4111 55.1936 40.6662 173.7092 149 G 3.5685 8.7512 116.4782 44.3444 0.0000 171.5353 150 P 4.5260 0.0000 0.0000 61.0037 33.1486 175.5791 151 V 4.3773 8.0412 116.7011 61.6694 34.2030 173.8603 152 T 5.0671 8.6620 124.7780 61.8400 70.7617 173.8396 153 I 4.6556 9.0016 127.4239 59.5353 40.6438 173.9893 154 Y 5.2668 8.5824 125.8065 55.9539 41.8294 174.6262 155 I 4.4346 7.5158 125.5581 59.4582 41.9329 173.5422 156 D 5.1680 8.3462 126.0497 52.3852 43.2633 176.5593 157 T 3.6481 8.8472 117.8861 64.6208 68.9076 175.3730 158 H 4.7769 8.0120 117.7493 56.2600 28.2519 175.4982 159 D 4.6890 8.0433 122.3932 54.8101 41.8899 176.6307 160 I 4.5125 7.2934 117.7663 58.4190 38.8929 181.4479 161 N 4.6230 8.2211 113.9867 53.9418 38.5459 172.8061 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 M 8.16 5.04 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.14 4.93 0.00 1.37 1.66 0.00 2.21 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 3 V 8.52 4.98 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 0.66 0.00 0.00 1.02 0.00 0.00 4 V 9.01 4.81 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 1.12 0.00 0.00 1.10 0.00 0.00 5 I 8.99 5.02 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 1.27 0.58 0.93 0.00 0.00 6 Q 9.15 5.19 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 7 R 8.85 4.34 0.00 1.62 1.79 0.00 2.21 0.00 0.00 2.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.00 8 V 8.91 5.03 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 0.85 0.00 0.00 1.01 0.00 0.00 9 K 9.16 4.18 0.00 1.59 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 G 7.68 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 0.00 0.00 0.00 0.00 11 A 8.59 5.26 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 12 I 8.86 4.76 1.87 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 1.11 0.93 0.91 0.00 0.00 13 L 8.90 4.92 0.00 1.69 1.51 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.37 5.35 0.00 3.75 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 15 V 8.76 4.91 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 0.70 0.00 0.00 1.03 0.00 0.00 16 R 8.84 4.40 0.00 1.83 1.71 0.00 3.25 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 1.55 1.19 0.00 17 K 8.59 4.21 0.00 1.76 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.02 7.81 *27 L 7.48 4.47 0.00 1.69 1.71 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.05 4.76 0.00 1.96 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 2.21 2.29 0.00 29 I 8.49 4.59 1.88 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 0.66 0.94 0.00 0.00 30 I 8.69 4.70 1.89 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 1.13 0.68 0.93 0.00 0.00 31 S 7.85 4.70 0.00 3.92 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 32 E 8.40 5.28 0.00 1.97 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 2.19 2.47 0.00 33 I 8.88 4.85 1.84 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 1.06 1.18 0.88 0.00 0.00 34 K 9.05 4.92 0.00 1.68 1.41 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.27 7.81 35 N 8.61 4.57 0.00 1.44 1.56 0.00 0.00 6.67 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 36 G 7.18 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 37 L 8.07 5.21 0.00 1.66 1.60 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.45 4.60 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 1.29 1.02 0.00 0.00 39 C 8.65 5.19 0.00 2.77 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 40 F 9.25 4.86 0.00 2.98 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 41 L 9.74 5.06 0.00 1.82 1.75 1.20 1.03 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 42 G 9.64 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.73 5.02 2.02 0.00 0.00 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 1.45 0.93 0.60 0.00 0.00 44 H 9.54 4.02 0.00 3.12 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.89 3.71 0.00 1.57 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.32 7.81 46 N 8.21 5.01 0.00 2.70 2.78 0.00 0.00 6.93 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 47 D 7.70 4.74 0.00 2.43 2.42 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 48 T 8.78 4.77 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 49 W 8.93 4.47 0.00 3.37 3.16 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 50 E 8.07 4.02 0.00 2.28 2.01 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 2.33 2.23 0.00 51 D 8.12 4.31 0.00 3.11 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 52 A 8.03 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.60 3.40 0.00 1.60 1.56 0.58 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.76 3.85 0.00 3.16 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 55 I 7.55 3.70 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.90 1.01 0.00 0.00 56 I 7.71 3.17 1.49 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.12 0.00 0.00 57 R 8.01 3.80 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 58 K 7.89 4.10 0.00 1.58 1.77 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.80 1.20 7.81 59 C 8.19 4.23 0.00 3.43 3.19 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 60 L 7.99 4.25 0.00 1.62 1.65 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.55 4.93 0.00 2.65 2.77 0.00 0.00 7.00 8.27 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 62 L 7.90 3.95 0.00 1.81 1.63 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.77 0.00 2.01 2.10 0.00 3.12 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 64 L 8.57 5.16 0.00 0.97 1.40 0.81 1.02 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 65 W 8.28 4.69 0.00 3.58 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.41 4.86 0.00 2.64 2.80 0.00 0.00 6.66 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.10 4.82 0.00 2.65 2.76 0.00 0.00 7.56 8.36 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 68 D 8.66 4.38 0.00 2.90 1.58 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 69 N 9.28 4.58 0.00 2.74 2.76 0.00 0.00 6.31 7.44 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 70 K 8.06 4.70 0.00 1.65 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.22 7.81 71 T 8.04 4.73 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 1.11 0.00 0.00 72 W 7.09 4.20 0.00 3.47 3.37 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 73 D 8.83 4.90 0.00 2.79 2.67 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 74 K 8.17 4.96 0.00 1.82 1.66 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.34 7.81 75 N 9.26 5.76 0.00 3.08 3.19 0.00 0.00 6.61 6.98 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 76 V 8.73 3.40 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 1.06 0.00 0.00 1.13 0.00 0.00 77 K 7.86 3.53 0.00 1.75 1.57 0.00 1.35 0.00 0.00 1.45 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.10 7.81 78 D 8.14 4.25 0.00 2.67 2.67 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 79 L 6.92 3.95 0.00 0.27 0.13 0.21 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.18 4.33 0.00 2.65 2.81 0.00 0.00 7.16 7.09 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 81 Y 7.81 4.91 0.00 2.69 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 82 E 8.84 4.94 0.00 1.92 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 0.00 2.22 2.29 0.00 83 L 8.65 5.11 0.00 1.40 1.28 1.11 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.89 4.83 0.00 1.67 1.44 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.70 4.57 1.79 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.28 0.97 0.00 0.00 86 V 8.77 4.60 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 0.99 0.00 0.00 0.73 0.00 0.00 87 S 8.71 4.69 0.00 3.41 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 88 Q 9.31 4.49 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 89 F 8.24 4.54 0.00 3.32 3.31 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 90 T 6.92 4.25 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 0.34 0.00 0.00 91 L 7.65 3.96 0.00 1.57 1.46 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.55 4.77 0.00 3.39 3.20 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 93 G 8.40 3.47 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 0.00 0.00 0.00 94 N 9.27 4.68 0.00 2.66 2.84 0.00 0.00 6.27 5.12 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 95 T 8.22 4.48 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 1.15 0.00 0.00 96 K 8.44 3.99 0.00 1.89 1.90 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.37 7.81 97 K 7.67 4.50 0.00 1.73 1.59 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.96 7.81 98 G 7.67 4.13 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 0.00 0.00 0.00 99 N 8.56 4.53 0.00 2.71 2.84 0.00 0.00 6.72 7.61 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 0.00 100 K 7.59 4.36 0.00 1.68 1.69 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 101 P 0.00 4.38 0.00 1.76 1.93 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 102 D 8.17 4.53 0.00 2.66 2.55 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 0.00 103 F 8.11 5.45 0.00 3.13 3.27 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 0.00 104 H 8.14 4.44 0.00 3.10 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.96 3.93 0.00 1.67 1.38 1.08 0.96 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 0.00 106 A 7.56 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.21 3.73 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.37 7.81 108 E 8.92 3.95 0.00 2.03 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 2.38 2.30 0.00 109 P 0.00 4.40 0.00 2.23 2.21 0.00 3.62 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 2.07 2.11 0.00 110 N 8.54 4.38 0.00 3.23 2.85 0.00 0.00 7.08 7.82 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 0.00 111 E 8.26 4.04 0.00 2.00 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 2.24 2.20 0.00 112 A 8.34 4.33 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.62 2.93 0.00 0.72 1.50 0.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.36 3.67 2.08 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 1.39 0.57 0.91 0.00 0.00 115 F 8.55 4.03 0.00 3.43 3.37 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 0.00 116 Y 8.92 4.38 0.00 3.47 3.33 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 0.00 117 N 8.87 4.41 0.00 2.96 2.90 0.00 0.00 7.22 8.36 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 0.00 118 K 8.53 3.99 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 I 8.20 4.05 2.17 0.00 0.00 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 1.41 0.76 0.98 0.00 0.00 120 I 8.12 3.88 1.93 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 1.09 0.57 0.90 0.00 0.00 121 D 8.30 4.38 0.00 2.93 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 0.00 122 E 8.44 3.99 0.00 2.50 2.01 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 2.18 2.27 0.00 123 F 8.32 4.20 0.00 3.31 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 0.00 124 K 8.39 4.15 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 125 K 8.15 4.10 0.00 1.85 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.35 4.56 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 127 Y 8.36 4.93 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 5.77 4.73 0.00 2.58 1.77 0.00 0.00 7.11 8.37 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 0.00 129 D 8.87 4.29 0.00 2.78 2.62 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 0.00 130 D 9.04 4.26 0.00 2.55 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 0.00 131 K 7.75 4.11 0.00 1.13 1.40 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.95 0.72 7.81 132 I 7.00 4.68 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 1.39 1.01 0.80 0.00 0.00 133 K 8.98 4.68 0.00 1.79 1.68 0.00 1.46 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.40 7.81 134 I 7.56 5.22 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.63 0.92 0.00 0.00 135 G 8.35 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.42 4.43 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 0.99 7.81 137 F 8.68 3.99 0.00 2.74 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 0.00 138 G 8.19 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 0.00 139 N 7.62 4.94 0.00 2.91 2.81 0.00 0.00 6.88 7.00 0.00 0.00 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 Y 8.48 4.10 0.00 2.96 2.88 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 0.00 141 M 7.29 4.92 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 142 N 9.28 4.74 0.00 2.90 2.70 0.00 0.00 6.99 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 0.00 143 I 8.25 4.97 1.91 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 1.31 0.76 0.91 0.00 0.00 144 D 8.77 4.62 0.00 2.64 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 0.00 145 V 8.38 4.63 2.13 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 0.87 0.00 0.00 1.04 0.00 0.00 146 T 8.75 4.39 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 1.22 0.00 0.00 147 N 8.60 4.81 0.00 2.62 2.78 0.00 0.00 6.99 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 0.00 148 D 10.13 4.29 0.00 2.73 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 0.00 149 G 8.75 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 0.00 150 P 0.00 4.53 0.00 2.18 2.09 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 151 V 8.04 4.38 2.01 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 1.23 0.00 0.00 0.99 0.00 0.00 152 T 8.66 5.07 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 1.25 0.00 0.00 153 I 9.00 4.66 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 0.89 0.00 0.00 154 Y 8.58 5.27 0.00 2.90 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 0.00 155 I 7.52 4.43 1.75 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 1.10 0.54 0.99 0.00 0.00 156 D 8.35 5.17 0.00 2.74 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 0.00 157 T 8.85 3.65 4.06 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 1.20 0.00 0.00 158 H 8.01 4.78 0.00 3.22 3.31 0.00 5.63 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.04 4.69 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.29 4.51 1.87 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 1.16 0.76 0.91 0.00 0.00 161 N 8.22 4.62 0.00 2.67 2.52 0.00 0.00 6.49 7.56 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 * Residues marked with a * may have inaccurate shift predictions.