NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3618 8.3231 115.4121 57.9987 64.3096 172.1139 30 G 3.7151 8.2696 109.6910 44.2479 0.0000 171.5764 31 I 3.6846 8.3943 120.0940 61.6308 38.2889 174.0130 32 S 4.7513 8.5656 119.2380 56.5079 64.2539 173.2714 33 L 4.3856 8.5662 126.4119 54.3626 43.1215 176.1160 34 D 4.3901 7.8894 116.1726 55.4947 38.0268 173.9351 35 N 4.6278 8.1508 115.0137 53.8257 39.6094 175.8652 36 S 4.6579 7.4804 111.6679 55.8469 66.0689 173.4701 37 Y 4.2171 8.3568 119.8405 58.1135 38.1581 176.4244 38 K 4.1988 8.8676 124.5168 57.0649 31.8351 176.0582 39 M 4.8255 8.7325 125.8247 55.2278 32.3841 176.0533 40 D 4.9379 7.8711 116.8284 53.2275 39.9323 175.9478 41 Y 4.2273 7.7566 117.2430 57.8432 38.6107 174.2057 42 P 4.4956 0.0000 0.0000 65.3498 31.9291 176.9849 43 E 4.6979 8.4706 117.7558 54.5542 32.6563 177.6020 44 M 3.7657 8.5000 122.7961 58.5260 33.3769 175.6092 45 G 4.3686 7.5761 102.3512 44.2698 0.0000 172.0838 46 L 4.9226 8.5213 118.7359 54.1811 43.9414 176.2326 47 C 4.5004 8.7581 121.5767 57.5574 33.8149 172.0359 48 I 4.5444 8.3182 127.8063 60.1532 38.4294 174.8826 49 I 4.6429 8.6967 128.8737 59.5937 39.6712 174.8092 50 I 4.5516 8.6854 129.3243 59.8665 38.9447 174.6964 51 N 4.9885 9.4506 128.4624 52.1187 40.0013 173.2890 52 N 4.8507 8.8035 124.9153 51.9780 39.0347 174.6327 53 K 4.3367 9.3216 125.8878 57.2346 33.6009 175.8173 54 N 5.2804 8.0606 114.6913 51.3787 40.3692 174.0309 55 F 4.8374 8.6552 120.9153 55.3480 42.1804 175.0759 56 H 4.3768 8.8891 120.6800 55.7321 29.2598 176.7020 57 K 3.9097 9.0533 125.4557 59.6333 32.0578 178.6179 58 S 4.2114 8.1945 112.1226 60.9353 62.8142 175.1681 59 T 4.0627 8.2294 110.7868 61.7850 69.0971 176.0969 60 G 3.8749 8.1412 109.2320 45.7466 0.0000 173.3948 61 M 4.0096 7.5610 119.4358 54.6115 32.6423 176.4469 62 T 4.3547 7.8131 112.7057 60.4416 70.3909 174.7060 63 S 4.7493 8.4075 116.9559 58.7625 64.2005 174.9818 64 R 4.4737 8.5390 122.8570 53.9721 28.6618 175.3148 65 S 4.2890 7.9775 114.7734 59.8005 63.8564 176.0340 66 G 3.9888 8.9239 111.6843 45.9177 0.0000 175.1342 67 T 3.9263 7.7442 113.4896 65.0965 67.2322 175.7585 68 D 4.3428 8.0790 120.5914 57.0331 40.8358 178.6234 69 V 3.6329 7.5926 118.6896 65.8422 31.4142 177.8678 70 D 4.3156 7.9673 117.9669 57.3548 40.8427 178.2541 71 A 3.9666 8.2809 121.3067 55.2924 18.3720 179.6141 72 A 3.9630 8.1067 119.1607 55.1807 18.3895 179.3509 73 N 4.2637 8.3139 115.6364 56.8294 38.9523 177.1451 74 L 4.0944 8.2988 120.7367 57.7087 41.7162 179.3512 75 R 3.9110 8.0728 118.6599 59.5081 30.0536 178.2244 76 E 3.9392 8.2608 118.9601 59.4863 29.7831 178.7675 77 T 3.7326 8.0804 115.8775 66.8866 68.5518 176.6753 78 F 4.1966 8.4950 119.2146 59.7485 38.7976 177.9658 79 R 3.9781 8.1093 119.0915 59.5737 29.7523 178.2150 80 N 4.4253 8.0384 114.3889 55.2785 38.5378 176.2532 81 L 4.4685 7.1663 117.9193 53.7867 42.0030 176.5954 82 K 3.9773 8.0594 117.4369 57.5910 29.7896 175.6225 83 Y 4.3290 8.1289 115.7942 57.3874 39.5689 175.8822 84 E 4.3621 9.1593 124.1669 55.2145 29.7333 174.5368 85 V 4.4638 8.1765 126.0884 62.2988 32.8248 175.0620 86 R 4.6003 8.9143 126.3700 54.5202 33.1612 173.8765 87 N 5.3794 8.8372 122.6936 51.9971 41.2870 174.0688 88 K 4.7247 9.0247 123.2425 54.8007 36.5260 174.9798 89 N 5.2498 8.7616 120.8606 52.2110 41.3971 174.4346 90 D 4.1644 8.2702 118.9220 55.3071 38.7573 172.8631 91 L 4.7401 8.6852 120.8525 53.1029 43.9309 177.4471 92 T 4.8481 9.4067 116.0153 60.5721 71.0654 175.8850 93 R 3.9844 9.5622 118.6689 59.5580 29.1887 178.9011 94 E 4.0062 8.1200 118.7313 59.3243 29.5040 179.0347 95 E 4.0122 8.2354 118.5338 59.1291 29.4363 179.5459 96 I 3.7300 7.8495 120.1261 64.4058 37.1507 178.6059 97 V 3.7523 7.6974 118.6110 65.9544 31.2886 177.6605 98 E 3.8040 8.3662 119.1677 59.0249 29.4261 178.4666 99 L 3.9023 8.2049 120.6856 58.5553 42.1971 178.8852 100 M 4.2060 8.1393 118.5560 58.3332 31.6881 178.7580 101 R 2.5100 7.2532 117.7701 58.9790 30.4642 177.9219 102 D 4.3670 7.9807 118.8320 57.4454 40.9138 179.0591 103 V 3.6536 7.9378 119.0345 65.9568 31.3450 178.1414 104 S 3.9295 7.7825 112.7291 60.2744 62.7881 175.4987 105 K 4.2977 7.1509 119.8105 55.4661 32.2679 176.4214 106 E 4.1007 7.1795 119.4672 55.6548 30.2133 176.1077 107 D 4.5458 8.2551 120.2083 53.9440 40.6970 175.1325 108 H 4.7453 8.5532 123.3561 55.7112 29.1084 177.3294 109 S 4.0437 8.4245 118.6851 61.7514 62.8433 175.7703 110 K 4.5688 8.0173 116.7747 56.2634 32.0597 175.4268 111 R 5.0247 7.5797 118.8148 54.6877 31.2764 176.9236 112 S 4.2687 9.0334 120.2537 61.5300 63.9871 173.7936 113 S 4.6558 8.1091 112.6308 57.7003 66.6412 172.9850 114 F 5.1302 8.8246 120.7544 56.8000 42.9433 173.8713 115 V 4.0844 7.5088 124.6150 60.8261 34.9110 173.5840 116 C 4.6232 8.0020 127.2116 57.3289 34.8348 172.3873 117 V 4.6451 8.8345 126.3785 61.0346 33.7239 173.9360 118 L 4.8995 9.0102 128.4610 53.0196 44.2135 175.4063 119 L 4.9815 8.3283 124.6444 53.9447 43.8338 175.6857 120 S 4.8644 8.2606 118.0690 58.2632 67.3428 175.0030 121 H 4.5905 8.7175 117.6607 56.0054 30.0734 174.7100 122 G 4.4071 8.2287 105.8786 46.5564 0.0000 171.4192 123 E 4.9653 8.4020 118.1931 54.0884 34.8405 174.9677 124 E 3.9210 8.8781 121.2059 58.0886 29.8169 176.8314 125 G 3.9436 9.0426 112.9324 45.8940 0.0000 172.2730 126 I 4.9750 7.9374 120.0085 59.1588 41.5681 174.1841 127 I 4.7733 8.3565 124.9303 59.2311 41.1946 173.9808 128 F 4.9940 9.0099 128.2667 56.5471 39.7201 176.4700 129 G 4.0691 9.6832 114.3274 44.3955 0.0000 174.4778 130 T 3.9319 8.5213 109.0262 63.4682 68.7344 175.5145 131 N 5.0847 9.2666 117.7962 50.5737 38.0457 173.9450 132 G 4.3954 7.1151 107.6129 44.3584 0.0000 170.3933 133 P 4.5699 0.0000 0.0000 62.3196 32.8028 176.0115 134 V 4.4017 8.2508 120.0167 61.0764 35.1356 174.2412 135 D 4.7516 8.6952 127.9387 54.2234 41.3667 177.5292 136 L 3.9534 8.8598 123.9688 57.6819 41.5624 179.6552 137 K 3.8316 7.9037 120.5206 58.6735 31.8433 178.4943 138 K 3.6903 7.4696 118.4061 59.3833 32.0052 178.6395 139 I 4.1684 7.6243 119.7337 64.8412 37.2636 178.4968 140 T 3.9762 8.0506 110.6881 64.6695 68.5144 176.1971 141 N 4.3404 8.2073 119.5263 56.2164 38.2283 177.1388 142 F 4.2736 7.4209 116.9783 59.5442 38.8745 176.0163 143 F 4.6873 7.8517 115.2345 56.8893 39.3340 176.1719 144 R 4.1131 7.8079 121.2874 56.2142 30.3859 177.9948 145 G 3.7589 8.7916 109.6260 48.3134 0.0000 174.0784 146 D 4.6639 8.0126 116.7228 53.6544 40.2303 176.9541 147 R 4.4730 7.9109 117.6298 56.4872 31.8358 176.1022 148 C 4.6933 7.4957 117.5015 56.7965 31.7117 173.8738 149 R 4.5459 8.4227 123.1364 58.0775 30.1734 178.6181 150 S 4.4534 8.0336 109.7924 59.3104 63.4344 174.2582 151 L 4.6067 7.9266 120.3964 54.4959 42.9844 176.4118 152 T 4.0012 7.5310 117.2933 65.0869 68.6707 175.3971 153 G 4.1124 9.0458 113.6220 45.4350 0.0000 173.1228 154 K 4.5267 7.7650 119.0025 53.3012 34.5484 174.2509 155 P 4.0818 0.0000 0.0000 62.8309 32.3338 175.0467 156 K 4.7339 8.7094 123.5958 54.7310 34.2204 175.2051 157 L 4.6915 8.6770 126.3947 52.7909 44.1021 175.7609 158 F 4.8573 8.8882 122.1920 55.7719 41.4793 174.7113 159 I 4.3368 8.6139 126.2594 59.8331 38.7738 175.0277 160 I 4.7910 8.4370 128.2215 59.6693 39.6342 175.3575 161 Q 4.5042 8.7753 130.2950 55.0560 29.5662 173.9364 162 A 4.8948 7.8377 124.8118 51.6397 21.8698 175.4452 163 C 4.3727 8.9472 117.1779 59.7769 29.1205 173.9510 164 R 4.5777 9.5725 117.7974 54.2657 31.3609 176.6135 165 G 3.9167 6.9641 105.3152 45.9516 0.0000 173.5005 166 T 4.5732 7.9898 113.0236 61.3262 69.1414 173.6866 167 E 4.3717 8.0932 120.5806 56.2507 30.5155 175.8385 168 L 4.6846 8.1934 120.9569 52.9187 44.6494 175.7437 169 D 4.7256 8.4819 122.3275 52.6452 41.3615 176.1199 170 C 4.1087 8.7070 122.5379 58.8574 30.0537 174.6632 171 G 3.9915 8.5693 110.5107 44.7571 0.0000 172.4686 172 I 4.6107 7.7383 117.1173 58.7340 40.9906 174.3822 173 E 4.0361 8.8291 127.0331 56.7526 29.8013 176.6438 174 T 4.3359 8.2422 115.4204 60.5377 71.4426 174.8584 *175 D 4.4254 8.3998 119.0387 53.5307 40.5341 173.1515 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 29 S 8.32 4.36 0.00 3.99 3.99 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 30 G 8.27 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 31 I 8.39 3.68 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 1.30 0.84 0.91 0.00 0.00 32 S 8.57 4.75 0.00 3.79 3.71 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 33 L 8.57 4.39 0.00 1.65 1.67 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.89 4.39 0.00 2.79 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 35 N 8.15 4.63 0.00 2.68 2.82 0.00 0.00 6.95 7.57 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 36 S 7.48 4.66 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 37 Y 8.36 4.22 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.87 4.20 0.00 1.79 1.97 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.44 7.81 39 M 8.73 4.83 0.00 2.08 2.09 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 2.61 2.77 0.00 40 D 7.87 4.94 0.00 2.73 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 41 Y 7.76 4.23 0.00 2.99 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 42 P 0.00 4.50 0.00 1.99 2.16 0.00 4.02 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 2.10 2.18 0.00 43 E 8.47 4.70 0.00 1.98 1.77 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 2.20 2.26 0.00 44 M 8.50 3.77 0.00 0.68 1.69 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.30 0.00 45 G 7.58 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.52 4.92 0.00 1.86 1.68 1.15 0.76 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 47 C 8.76 4.50 0.00 2.44 2.57 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 48 I 8.32 4.54 1.75 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.93 0.00 0.00 49 I 8.70 4.64 1.90 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 1.04 0.63 0.91 0.00 0.00 50 I 8.69 4.55 1.89 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 1.12 0.73 0.92 0.00 0.00 51 N 9.45 4.99 0.00 2.76 2.98 0.00 0.00 6.75 6.68 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 52 N 8.80 4.85 0.00 2.81 2.26 0.00 0.00 6.81 6.92 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 53 K 9.32 4.34 0.00 1.75 1.74 0.00 1.61 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.60 7.81 54 N 8.06 5.28 0.00 2.83 2.73 0.00 0.00 6.73 7.45 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 55 F 8.66 4.84 0.00 2.97 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 56 H 8.89 4.38 0.00 3.32 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.05 3.91 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 58 S 8.19 4.21 0.00 4.05 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 59 T 8.23 4.06 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 1.37 0.00 0.00 60 G 8.14 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 61 M 7.56 4.01 0.00 1.27 1.66 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 62 T 7.81 4.35 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 1.15 0.00 0.00 63 S 8.41 4.75 0.00 4.14 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 64 R 8.54 4.47 0.00 1.97 1.93 0.00 2.85 0.00 0.00 3.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 65 S 7.98 4.29 0.00 3.99 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 66 G 8.92 3.99 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 0.00 0.00 0.00 67 T 7.74 3.93 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 1.31 0.00 0.00 68 D 8.08 4.34 0.00 2.73 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 69 V 7.59 3.63 2.24 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 1.04 0.00 0.00 0.94 0.00 0.00 70 D 7.97 4.32 0.00 3.03 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 71 A 8.28 3.97 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 72 A 8.11 3.96 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 73 N 8.31 4.26 0.00 2.98 2.95 0.00 0.00 7.24 6.25 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 74 L 8.30 4.09 0.00 1.91 1.79 0.95 1.03 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 75 R 8.07 3.91 0.00 2.02 2.11 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 E 8.26 3.94 0.00 2.15 1.93 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 2.30 2.39 0.00 77 T 8.08 3.73 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 78 F 8.49 4.20 0.00 3.15 3.06 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 0.00 79 R 8.11 3.98 0.00 2.11 2.15 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 8.04 4.43 0.00 2.91 2.85 0.00 0.00 7.07 7.87 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 81 L 7.17 4.47 0.00 2.17 1.95 0.62 0.87 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 82 K 8.06 3.98 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.52 7.81 83 Y 8.13 4.33 0.00 3.17 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 84 E 9.16 4.36 0.00 2.06 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 2.29 2.27 0.00 85 V 8.18 4.46 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 0.81 0.00 0.00 1.06 0.00 0.00 86 R 8.91 4.60 0.00 1.75 1.78 0.00 3.18 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 N 8.84 5.38 0.00 2.68 2.67 0.00 0.00 7.00 6.68 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 88 K 9.02 4.72 0.00 1.63 1.61 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.54 7.81 89 N 8.76 5.25 0.00 2.54 2.65 0.00 0.00 7.28 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 90 D 8.27 4.16 0.00 2.66 2.53 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 91 L 8.69 4.74 0.00 1.65 1.56 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.41 4.85 4.56 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 1.23 0.00 0.00 93 R 9.56 3.98 0.00 2.05 2.46 0.00 2.83 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 94 E 8.12 4.01 0.00 2.10 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 2.42 2.48 0.00 95 E 8.24 4.01 0.00 2.16 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 2.33 2.36 0.00 96 I 7.85 3.73 2.09 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 0.94 1.00 0.00 0.00 97 V 7.70 3.75 2.28 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 1.29 0.00 0.00 1.10 0.00 0.00 98 E 8.37 3.80 0.00 2.16 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 2.39 2.28 0.00 99 L 8.20 3.90 0.00 1.85 1.92 0.94 0.94 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 0.00 100 M 8.14 4.21 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.03 0.00 101 R 7.25 2.51 0.00 0.67 1.69 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.00 102 D 7.98 4.37 0.00 2.88 2.64 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 0.00 103 V 7.94 3.65 2.26 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 1.26 0.00 0.00 1.05 0.00 0.00 104 S 7.78 3.93 0.00 3.42 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 0.00 105 K 7.15 4.30 0.00 1.77 1.80 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.47 7.81 106 E 7.18 4.10 0.00 2.03 1.71 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 2.29 2.36 0.00 107 D 8.26 4.55 0.00 2.60 2.57 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 0.00 108 H 8.55 4.75 0.00 3.32 3.24 0.00 5.70 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 0.00 109 S 8.42 4.04 0.00 3.89 3.99 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 0.00 110 K 8.02 4.57 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.48 7.81 111 R 7.58 5.02 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 112 S 9.03 4.27 0.00 3.88 4.15 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 0.00 113 S 8.11 4.66 0.00 4.02 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 0.00 114 F 8.82 5.13 0.00 2.96 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 0.00 115 V 7.51 4.08 1.25 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 -0.05 0.00 0.00 0.29 0.00 0.00 116 C 8.00 4.62 0.00 2.22 1.69 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 0.00 117 V 8.83 4.65 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 0.95 0.00 0.00 0.56 0.00 0.00 118 L 9.01 4.90 0.00 1.63 1.60 1.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.33 4.98 0.00 1.66 1.59 0.97 0.45 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 0.00 120 S 8.26 4.86 0.00 4.03 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 0.00 121 H 8.72 4.59 0.00 2.97 3.01 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.23 4.41 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 0.00 123 E 8.40 4.97 0.00 1.91 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 2.40 2.61 0.00 124 E 8.88 3.92 0.00 2.09 1.88 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 2.29 2.38 0.00 125 G 9.04 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 0.00 0.00 0.00 126 I 7.94 4.98 1.69 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 0.97 1.08 0.38 0.00 0.00 127 I 8.36 4.77 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.99 0.00 0.00 128 F 9.01 4.99 0.00 3.32 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 0.00 129 G 9.68 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.52 3.93 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 0.94 0.00 0.00 131 N 9.27 5.08 0.00 2.83 2.70 0.00 0.00 5.96 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 0.00 132 G 7.12 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.57 0.00 1.79 1.44 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 134 V 8.25 4.40 2.17 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 0.99 0.00 0.00 0.95 0.00 0.00 135 D 8.70 4.75 0.00 2.61 2.51 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 0.00 136 L 8.86 3.95 0.00 1.62 1.63 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.90 3.83 0.00 1.79 1.73 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.47 3.69 0.00 1.73 1.89 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 139 I 7.62 4.17 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 1.24 0.00 0.00 140 T 8.05 3.98 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 0.32 0.00 0.00 141 N 8.21 4.34 0.00 2.59 2.67 0.00 0.00 6.90 7.67 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 0.00 142 F 7.42 4.27 0.00 2.82 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 4.69 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.81 4.11 0.00 1.96 2.03 0.00 3.18 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 145 G 8.79 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 0.00 146 D 8.01 4.66 0.00 2.79 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 0.00 147 R 7.91 4.47 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 148 C 7.50 4.69 0.00 2.95 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 0.00 149 R 8.42 4.55 0.00 1.88 1.98 0.00 3.77 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.03 4.45 0.00 4.00 3.99 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 0.00 151 L 7.93 4.61 0.00 1.85 1.69 0.72 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.53 4.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 153 G 9.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 7.77 4.53 0.00 1.83 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.32 7.81 155 P 0.00 4.08 0.00 1.86 1.27 0.00 3.49 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 156 K 8.71 4.73 0.00 1.80 2.02 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.66 7.81 157 L 8.68 4.69 0.00 1.24 1.44 0.88 0.83 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 0.00 158 F 8.89 4.86 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.61 4.34 1.78 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 1.05 0.92 0.92 0.00 0.00 160 I 8.44 4.79 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.95 0.00 0.00 161 Q 8.78 4.50 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 162 A 7.84 4.89 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 0.00 163 C 8.95 4.37 0.00 3.18 3.06 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 0.00 164 R 9.57 4.58 0.00 1.75 2.06 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 165 G 6.96 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 0.00 166 T 7.99 4.57 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 1.21 0.00 0.00 167 E 8.09 4.37 0.00 1.98 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 2.33 0.00 168 L 8.19 4.68 0.00 1.59 1.53 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.48 4.73 0.00 2.63 2.59 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 0.00 0.00 0.00 0.00 170 C 8.71 4.11 0.00 3.12 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 0.00 171 G 8.57 3.99 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 0.00 0.00 0.00 172 I 7.74 4.61 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 1.41 0.79 0.91 0.00 0.00 173 E 8.83 4.04 0.00 2.00 1.88 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 2.31 2.24 0.00 174 T 8.24 4.34 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 1.21 0.00 0.00 *175 D 8.40 4.43 0.00 2.47 2.52 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 * Residues marked with a * may have inaccurate shift predictions.