NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5281 8.1627 120.3618 55.9784 34.4279 177.2430 2 M 3.9501 8.1399 117.5078 57.9947 32.2621 176.1621 3 D 4.3444 8.3990 117.9409 57.4721 41.7787 177.0776 4 Y 4.1285 7.9310 119.5620 60.7631 38.8559 177.7342 5 L 3.7371 8.4014 120.3365 57.5672 41.4435 179.6164 6 I 3.9517 7.8388 119.4233 64.7460 37.2430 178.4081 7 T 4.1293 8.1039 109.2100 63.7463 68.7597 175.1856 8 Q 4.3032 7.6561 118.8173 54.6570 29.3479 175.4779 9 N 4.0931 7.9778 113.4393 54.2823 36.2097 174.6715 10 G 4.0351 8.8699 100.3553 45.1312 0.0000 174.6916 11 G 3.9001 7.7816 109.8542 47.4147 0.0000 175.5598 12 M 4.0146 8.2041 120.1520 59.1029 32.0383 178.5115 13 V 3.5098 7.5727 111.8067 64.3358 31.5305 178.5281 14 F 4.4441 7.8640 116.9749 60.2421 38.7907 177.7550 15 A 4.0753 8.1196 120.2647 54.9303 18.2349 179.6948 16 V 3.5047 8.0185 117.0169 66.1184 31.6673 177.9700 17 L 4.0145 8.0819 119.8674 58.0552 41.8673 178.7944 18 A 4.1848 8.1979 122.2057 54.9705 18.3733 179.5283 19 M 4.0169 8.1346 116.9540 58.3395 32.0098 178.7626 20 A 3.9741 8.1397 121.1057 55.3677 18.2421 179.5806 21 T 4.0194 8.4964 108.3357 65.1537 68.5973 176.1301 22 A 4.0982 8.1660 124.0342 54.9952 18.3915 179.7911 23 T 3.8813 7.9341 113.9861 66.8889 68.5219 177.0402 24 I 3.5160 8.0336 121.9127 64.5723 37.2231 178.7068 25 F 4.1051 7.7369 118.2828 60.2447 38.6603 178.1345 26 S 4.2747 7.8560 113.8662 61.4693 62.8671 176.7369 27 G 3.6415 8.2712 109.6796 47.4323 0.0000 175.7141 28 I 3.7774 8.1629 122.5550 63.9804 37.1442 178.5915 29 G 3.6655 7.9348 106.3512 48.0634 0.0000 175.8668 30 S 4.5601 8.4040 119.1260 60.6382 62.7891 176.5827 31 A 3.9307 8.3325 123.8456 55.1930 18.0278 179.9243 32 K 4.0243 8.3995 117.2576 59.4233 32.1332 179.9726 33 G 3.5585 8.1824 106.0165 47.8813 0.0000 176.0082 34 V 3.9576 8.0294 123.1816 64.8162 31.4995 178.2579 35 G 3.5828 8.3820 105.8674 48.1532 0.0000 175.3058 36 M 4.2107 8.3706 121.8602 58.5585 32.2054 178.4780 37 T 4.0491 8.1149 116.0873 66.3231 68.5040 176.9314 38 G 3.7163 8.5270 108.2834 47.9320 0.0000 175.5576 39 E 3.9750 8.3789 120.6243 59.1616 29.4866 179.3721 40 A 4.0021 7.8922 120.5663 55.0014 18.4429 179.5706 41 A 3.9436 8.5083 119.6077 55.2149 18.3046 179.7348 42 A 3.9821 8.4526 119.4962 55.2584 18.2373 179.7116 43 A 3.9563 7.7995 118.3365 55.1844 18.7394 179.3007 44 L 4.0658 8.0054 118.9001 58.6653 40.6705 179.3677 45 T 4.2387 8.1330 115.6077 66.3140 68.0910 176.5746 46 T 4.1137 7.6374 111.4170 63.7306 68.7791 175.1584 47 S 4.6213 7.5496 113.8004 58.4506 65.7030 174.3427 48 Q 4.7563 8.4227 119.5249 53.4593 28.5985 174.2273 49 P 4.4707 0.0000 0.0000 64.7516 32.1852 178.9308 50 E 4.1621 8.1652 116.0577 58.1062 29.9466 177.2632 51 K 4.4688 8.0161 119.3844 56.4942 32.6193 177.8593 52 F 4.3136 8.3009 123.9420 61.5217 39.2097 177.3363 53 G 3.4970 8.1667 104.4940 48.1285 0.0000 175.4524 54 Q 3.9662 7.9879 120.2450 58.3367 28.7462 178.5754 55 A 3.9555 7.9848 121.9672 54.9232 18.5089 179.4819 56 L 3.6947 7.9321 119.3485 58.0526 41.8416 179.1596 57 I 3.6155 7.2273 118.6599 64.4860 36.8658 177.9930 58 L 4.0966 7.7934 119.6754 57.9039 41.2943 179.4173 59 Q 3.9830 7.9877 119.4496 58.9803 28.9839 177.9368 60 L 4.2399 7.7220 118.6669 56.0922 41.5577 178.8916 61 L 3.9448 7.2415 118.2680 57.6675 41.7407 177.1218 62 P 5.2713 0.0000 0.0000 62.6465 31.0084 177.9366 63 G 3.8561 8.1031 106.8327 46.0093 0.0000 176.1889 64 T 3.7234 7.7093 111.6063 63.8710 69.1573 176.5136 65 Q 4.3406 8.3134 121.0545 59.4020 28.7886 179.5531 66 G 3.6873 8.4340 106.4301 47.6139 0.0000 175.7827 67 L 3.9888 7.1745 118.9489 57.7654 41.5902 178.9467 68 Y 4.2757 8.0056 117.2187 61.1597 37.7639 179.0318 69 G 4.3368 8.3339 107.8891 47.3369 0.0000 175.3594 70 F 4.1981 8.4254 123.2159 61.1260 39.4004 177.3579 71 V 3.7461 8.3663 117.8997 66.1243 31.3725 178.0571 72 I 3.8220 8.3892 119.3743 64.4299 37.0027 178.1933 73 A 4.0030 8.3827 121.9457 55.2752 18.1804 179.5170 74 F 3.9348 8.3328 119.2373 61.0589 39.1647 177.2417 75 L 3.9636 7.9706 119.6213 57.9644 42.1622 178.7297 76 I 3.5673 7.8430 119.9137 64.0141 36.8781 177.8328 77 F 3.9527 8.0417 121.8091 61.3727 38.9782 176.9944 78 I 3.5904 7.1426 109.3393 62.2223 37.4773 176.5090 79 N 4.8937 7.4066 117.6116 52.6325 38.8990 174.5463 80 L 4.5323 6.9677 119.1421 55.4163 41.2362 178.1421 81 G 3.8497 7.6816 109.1065 45.0432 0.0000 172.8925 82 S 4.6857 7.3237 115.4539 57.4704 65.6502 174.2292 83 D 4.8666 8.3546 112.9473 52.8026 39.0803 175.8952 84 M 4.0595 8.0139 119.2653 56.7672 33.2974 175.5283 85 S 4.3950 8.4845 120.7938 57.8551 65.6330 175.3850 86 V 3.7469 8.2850 121.9469 66.1130 31.2144 178.1720 87 V 3.4700 7.7973 117.5018 66.2412 31.3675 177.5486 88 Q 3.9303 8.0116 118.7595 59.0171 28.8679 178.4907 89 G 3.9236 8.3171 106.6560 48.1303 0.0000 175.7259 90 L 3.9566 8.4358 122.2820 57.2283 41.4429 179.3104 91 N 4.2402 8.4571 116.9717 56.3785 38.5498 177.4316 92 F 4.2618 8.1909 119.0768 60.3486 38.7703 177.4205 93 L 4.1941 8.0973 119.1516 58.2978 42.1062 179.0096 94 G 3.7446 8.5563 105.7935 47.7646 0.0000 175.4152 95 A 4.0929 8.3921 123.5523 54.9136 18.4413 179.6192 96 S 4.3076 8.0824 111.8343 60.7646 63.3133 176.7603 97 L 4.1852 7.8089 123.2103 57.3365 41.3988 177.2473 98 P 4.3636 0.0000 0.0000 65.9090 31.3490 178.5038 99 I 3.8416 7.9304 116.9507 63.7681 37.8968 177.4624 100 A 3.9579 7.9716 121.5990 55.3651 18.1893 179.3329 101 F 4.5236 8.2910 115.4536 59.8661 39.4311 178.6386 102 T 4.2452 8.3287 109.8814 64.5930 68.4899 176.8520 103 G 3.7569 8.4065 108.6048 47.5710 0.0000 175.2044 104 L 3.9836 8.0339 123.4485 57.9939 42.1629 179.1995 105 F 4.2635 8.4506 117.8176 60.4227 38.8701 178.0950 106 S 4.4473 8.7499 114.3370 61.1319 62.8856 176.8262 107 G 3.6407 8.2617 109.5233 47.7408 0.0000 175.7929 108 I 3.7309 7.6156 122.2999 64.0084 36.9074 178.4240 109 A 4.0602 8.1744 121.6081 55.2368 18.2675 179.4804 110 Q 4.0756 8.6739 118.6532 59.2759 29.1170 178.5243 111 G 3.7274 8.2524 106.7858 47.8978 0.0000 175.7618 112 K 4.0561 7.8612 120.4977 59.2015 32.0466 179.6977 113 V 3.6101 7.5708 118.1993 65.8914 31.3567 178.0266 114 A 4.0274 8.5167 120.8357 55.0290 17.9890 179.4121 115 A 3.9371 8.2795 118.6264 55.3549 18.6523 179.4212 116 A 4.1863 8.2412 119.3665 55.2306 18.3878 180.1145 117 G 3.6691 8.2679 104.3190 47.8614 0.0000 175.8660 118 I 3.7649 7.5268 122.0743 64.6353 37.0934 178.4384 119 Q 4.0152 8.0191 118.5899 58.7158 28.3736 178.8475 120 I 3.7378 7.6468 120.6184 64.3089 37.0553 177.8144 121 L 3.8507 7.7573 119.6330 58.1227 41.8943 178.6338 122 A 4.1378 8.0420 119.8682 54.9934 18.4628 179.0789 123 K 4.3174 7.9582 114.8765 57.2643 34.4408 177.6772 124 K 4.7099 8.5604 117.9419 53.5448 32.6971 174.9367 125 P 4.4736 0.0000 0.0000 65.6245 31.6978 179.1527 126 E 4.0800 8.1761 115.0572 58.2913 29.9130 176.8816 127 H 4.7755 8.5016 116.8699 55.5817 29.3505 176.0905 128 A 4.0611 7.8756 124.6188 55.6194 17.9156 180.6048 129 T 3.8217 7.9251 113.8637 66.7069 68.4400 176.5965 130 K 3.7575 8.2041 120.6591 59.2598 32.1388 179.5596 131 G 3.7438 7.9223 105.5257 47.7569 0.0000 175.6573 132 I 3.7316 7.4945 121.7132 64.1751 37.0009 178.5521 133 I 3.6158 7.7200 120.5463 64.3882 36.7171 178.2334 134 F 4.4629 7.5680 116.9017 60.9572 39.1460 177.4595 135 A 4.2127 8.1504 119.5089 55.0983 17.9876 179.5357 136 A 4.0732 8.2615 118.5498 55.2599 18.4411 179.4507 137 M 4.2080 7.7316 116.8392 57.8699 32.2374 177.4787 138 V 4.0861 7.7220 119.9766 63.2293 31.5860 177.8047 *140 T 4.0768 7.9800 117.3212 63.7334 70.5271 176.5401 141 Y 4.1183 7.1120 117.5824 60.5063 37.7788 178.0412 142 A 4.1153 8.0642 121.7189 54.9619 18.4904 179.4435 143 I 3.1942 7.5634 117.8290 64.4920 37.2722 178.3867 144 L 4.0674 8.0465 119.8616 57.7475 41.3980 179.8433 145 G 3.8405 8.1256 106.9602 47.1876 0.0000 175.3881 146 F 4.2200 8.4916 123.7050 61.0352 39.3006 177.4111 147 V 3.3972 8.0631 117.9455 65.9449 31.3067 178.0034 148 I 3.6887 7.7725 119.4924 64.5422 36.9024 178.4363 149 S 4.4460 8.1452 117.3279 60.9257 62.8071 176.5515 150 F 3.7556 8.3809 123.4128 61.3094 38.8814 177.1176 151 L 4.0730 7.9741 117.1872 57.9583 41.6020 179.3360 152 L 4.0914 8.1506 118.9684 57.5177 41.0306 179.7411 153 V 3.6627 7.9925 118.6301 65.9948 31.2998 178.1586 154 L 4.0217 7.5569 117.0128 56.5779 41.4462 177.8471 155 N 4.7199 7.2119 114.5673 52.9820 39.2457 174.1846 156 A 3.8177 7.2234 126.7281 52.7720 18.2668 177.6289 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 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.14 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.40 4.34 0.00 2.80 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 4 Y 7.93 4.13 0.00 3.10 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 5 L 8.40 3.74 0.00 1.93 1.74 0.90 0.70 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 6 I 7.84 3.95 2.08 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 1.60 0.55 0.92 0.00 0.00 7 T 8.10 4.13 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 1.27 0.00 0.00 8 Q 7.66 4.30 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 9 N 7.98 4.09 0.00 2.74 2.92 0.00 0.00 7.02 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 10 G 8.87 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 11 G 7.78 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 12 M 8.20 4.01 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.57 3.51 1.82 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 0.68 0.00 0.00 0.14 0.00 0.00 14 F 7.86 4.44 0.00 3.30 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 15 A 8.12 4.08 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 16 V 8.02 3.50 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 0.99 0.00 0.00 0.95 0.00 0.00 17 L 8.08 4.01 0.00 2.03 2.02 1.02 1.15 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 18 A 8.20 4.18 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 4.02 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 20 A 8.14 3.97 1.42 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 21 T 8.50 4.02 4.47 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 1.47 0.00 0.00 22 A 8.17 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 3.88 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 1.30 0.00 0.00 24 I 8.03 3.52 1.44 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.24 0.00 0.00 25 F 7.74 4.11 0.00 2.80 2.77 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 26 S 7.86 4.27 0.00 4.37 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 0.00 27 G 8.27 3.64 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 0.00 28 I 8.16 3.78 1.96 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.88 0.00 0.00 29 G 7.93 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 0.00 0.00 0.00 30 S 8.40 4.56 0.00 3.88 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 31 A 8.33 3.93 1.32 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 32 K 8.40 4.02 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.03 3.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.02 0.00 0.00 35 G 8.38 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 36 M 8.37 4.21 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 37 T 8.11 4.05 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 1.25 0.00 0.00 38 G 8.53 3.72 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 0.00 0.00 0.00 39 E 8.38 3.97 0.00 2.23 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 2.34 2.53 0.00 40 A 7.89 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.51 3.94 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 42 A 8.45 3.98 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 43 A 7.80 3.96 1.37 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 44 L 8.01 4.07 0.00 1.81 1.88 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.13 4.24 4.44 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 1.25 0.00 0.00 46 T 7.64 4.11 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 1.31 0.00 0.00 47 S 7.55 4.62 0.00 4.02 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 48 Q 8.42 4.76 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 49 P 0.00 4.47 0.00 2.20 2.40 0.00 3.70 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 2.07 1.94 0.00 50 E 8.17 4.16 0.00 2.12 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 0.00 2.30 2.29 0.00 51 K 8.02 4.47 0.00 2.04 1.86 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.30 4.31 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 53 G 8.17 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 7.98 3.96 1.37 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 56 L 7.93 3.69 0.00 0.99 1.36 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.23 3.62 1.95 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 1.45 0.67 0.86 0.00 0.00 58 L 7.79 4.10 0.00 1.83 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.99 3.98 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 60 L 7.72 4.24 0.00 1.85 1.63 0.85 0.32 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 61 L 7.24 3.94 0.00 1.85 1.76 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.27 0.00 2.19 2.07 0.00 4.06 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 63 G 8.10 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 64 T 7.71 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.09 1.00 0.00 0.00 73 A 8.38 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.33 3.93 0.00 2.75 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 75 L 7.97 3.96 0.00 1.89 1.87 0.80 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.84 3.57 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.27 0.00 0.00 77 F 8.04 3.95 0.00 2.97 2.80 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 0.00 0.00 0.00 78 I 7.14 3.59 1.70 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 1.54 0.62 0.51 0.00 0.00 79 N 7.41 4.89 0.00 2.83 2.94 0.00 0.00 6.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 6.97 4.53 0.00 1.43 1.33 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.68 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 82 S 7.32 4.69 0.00 3.92 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 83 D 8.35 4.87 0.00 2.73 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 84 M 8.01 4.06 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.65 0.00 85 S 8.48 4.39 0.00 4.09 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 86 V 8.28 3.75 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 0.88 0.00 0.00 1.11 0.00 0.00 87 V 7.80 3.47 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 1.00 0.00 0.00 0.90 0.00 0.00 88 Q 8.01 3.93 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 89 G 8.32 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.44 3.96 0.00 1.65 1.57 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.46 4.24 0.00 2.64 2.61 0.00 0.00 6.97 7.76 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 92 F 8.19 4.26 0.00 3.36 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 93 L 8.10 4.19 0.00 1.93 1.96 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.56 3.74 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 0.00 95 A 8.39 4.09 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 96 S 8.08 4.31 0.00 4.27 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 0.00 97 L 7.81 4.19 0.00 1.79 1.98 0.97 1.58 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 98 P 0.00 4.36 0.00 2.36 2.18 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.93 3.84 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.13 0.00 0.00 100 A 7.97 3.96 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 0.00 101 F 8.29 4.52 0.00 3.28 3.30 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 0.00 102 T 8.33 4.25 4.53 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 1.41 0.00 0.00 103 G 8.41 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 0.00 104 L 8.03 3.98 0.00 2.04 1.81 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.45 4.26 0.00 3.32 3.15 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 0.00 106 S 8.75 4.45 0.00 4.38 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 0.00 107 G 8.26 3.64 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 0.00 108 I 7.62 3.73 1.90 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 1.44 0.78 0.94 0.00 0.00 109 A 8.17 4.06 1.47 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 0.00 110 Q 8.67 4.08 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 111 G 8.25 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 0.00 112 K 7.86 4.06 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.57 3.61 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 1.14 0.00 0.00 1.02 0.00 0.00 114 A 8.52 4.03 1.40 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 0.00 115 A 8.28 3.94 1.36 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 0.00 0.00 0.00 116 A 8.24 4.19 1.40 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 0.00 117 G 8.27 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 0.00 0.00 0.00 118 I 7.53 3.76 2.06 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 1.73 0.96 0.96 0.00 0.00 119 Q 8.02 4.02 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 120 I 7.65 3.74 2.09 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 1.61 0.95 0.98 0.00 0.00 121 L 7.76 3.85 0.00 1.65 1.97 0.93 1.18 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 0.00 122 A 8.04 4.14 1.40 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 0.00 123 K 7.96 4.32 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.62 7.81 124 K 8.56 4.71 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.47 0.00 2.21 2.43 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.18 4.08 0.00 2.02 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 0.00 1.98 2.17 0.00 127 H 8.50 4.78 0.00 3.29 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.88 4.06 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 0.00 129 T 7.93 3.82 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 0.00 130 K 8.20 3.76 0.00 1.91 1.57 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 G 7.92 3.74 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 0.00 132 I 7.49 3.73 2.00 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 1.50 0.80 0.88 0.00 0.00 133 I 7.72 3.62 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.78 0.00 0.00 134 F 7.57 4.46 0.00 3.21 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 0.00 135 A 8.15 4.21 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 0.00 136 A 8.26 4.07 1.37 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 0.00 137 M 7.73 4.21 0.00 2.05 2.41 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.00 0.00 138 V 7.72 4.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.03 0.00 0.00 *140 T 7.98 4.08 3.15 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 0.68 0.00 0.00 141 Y 7.11 4.12 0.00 3.27 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 0.00 142 A 8.06 4.12 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 0.00 143 I 7.56 3.19 1.89 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 1.54 0.81 0.82 0.00 0.00 144 L 8.05 4.07 0.00 1.74 1.76 0.97 0.71 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 G 8.13 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 0.00 0.00 0.00 146 F 8.49 4.22 0.00 2.81 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 V 8.06 3.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 148 I 7.77 3.69 1.90 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 1.73 0.71 0.93 0.00 0.00 149 S 8.15 4.45 0.00 4.11 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 0.00 150 F 8.38 3.76 0.00 2.58 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 0.00 151 L 7.97 4.07 0.00 1.83 1.74 0.94 1.21 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 0.00 152 L 8.15 4.09 0.00 1.87 1.68 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.99 3.66 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 1.12 0.00 0.00 1.07 0.00 0.00 154 L 7.56 4.02 0.00 1.75 1.65 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.21 4.72 0.00 2.67 2.74 0.00 0.00 7.15 7.81 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 0.00 156 A 7.22 3.82 0.20 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 * Residues marked with a * may have inaccurate shift predictions.