NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 G 3.9328 8.3544 109.7383 45.4247 0.0000 173.7433 53 R 3.8049 8.6272 124.2731 58.5220 31.5047 176.0205 54 G 3.9893 8.3181 105.6793 47.1828 0.0000 173.6549 55 L 4.4373 8.7035 124.1829 53.9600 41.6010 176.1688 56 G 3.8790 8.0440 109.5502 44.0513 0.0000 171.9034 57 P 4.3909 0.0000 0.0000 62.3032 31.7194 176.5038 58 L 4.1690 8.2068 120.1853 55.2857 42.4684 177.8952 59 Q 4.4556 8.2950 121.6436 54.6942 27.7347 173.1189 60 I 4.9264 7.8112 121.4565 59.0842 41.0274 174.6715 61 W 5.5077 8.9726 126.5723 55.3728 32.1581 174.9414 62 Q 5.2844 8.9913 120.5048 54.6138 31.3089 174.9766 63 T 5.2327 8.7707 119.4454 62.1213 72.2554 172.5998 64 D 4.9271 9.0597 123.5395 53.4439 45.6700 173.3250 65 F 5.4533 8.9651 119.3731 56.0499 41.4070 175.4510 66 T 4.9207 9.4456 116.7517 60.4137 71.0616 172.1446 67 L 3.9033 8.3715 130.4275 54.1144 43.1020 175.7766 68 E 4.4481 9.0738 127.4480 53.3601 30.7055 174.0540 69 P 4.1722 0.0000 0.0000 64.6344 31.9619 179.0604 70 R 3.9557 8.6353 117.7314 58.7281 30.0236 177.7863 71 M 4.5444 7.9682 115.6710 54.6410 32.2386 176.1238 72 A 4.1994 7.4565 122.6954 51.5273 18.9367 176.8477 73 P 4.3566 0.0000 0.0000 64.8955 32.4215 177.5515 74 R 4.4861 7.6642 120.7482 55.1714 28.7267 176.2202 75 S 4.4902 7.6040 112.5165 58.9520 65.4719 175.4108 76 W 4.8627 8.3088 122.7954 56.2856 30.0944 175.1830 77 L 5.1642 9.2495 126.2353 53.3713 43.1974 175.5954 78 A 4.2463 8.8503 126.6594 50.4281 20.6013 175.9309 79 V 4.7588 8.4705 122.8778 61.2864 34.7099 174.3371 80 T 5.1812 8.9524 124.6713 61.5893 71.8107 173.2534 81 V 4.6549 8.5842 125.6226 59.7243 34.2750 174.2307 82 D 4.9414 8.8886 126.0702 53.9102 41.3054 176.9353 83 T 3.9982 9.0323 117.6927 64.4653 68.9395 176.1590 84 A 4.1595 8.6176 125.1390 54.5642 18.5400 178.1116 85 S 4.5366 7.6242 105.8788 57.4315 64.5004 175.2832 86 S 3.8962 8.5799 115.7363 58.5941 60.9694 170.4964 87 A 4.2569 7.7789 123.2133 52.3142 19.2707 176.9859 88 I 4.8521 8.6421 121.5732 59.3824 39.9730 175.3745 89 V 4.5180 8.6289 126.3399 60.9239 34.2119 174.5900 90 V 5.1415 8.3951 126.3451 60.1744 34.2788 174.7126 91 T 4.9028 8.9111 112.7941 59.9578 72.4459 172.4872 92 Q 5.2302 8.5185 119.9014 55.1138 31.5285 174.3690 93 H 4.9063 9.1055 116.6437 54.3790 33.0950 175.1417 94 G 3.7407 8.9929 110.5303 48.0814 0.0000 174.2259 95 R 4.6288 7.5857 116.5707 54.2136 34.0512 175.3302 96 V 2.7896 7.5308 121.3739 60.5596 30.8410 175.8053 97 T 4.3667 7.0253 114.6517 58.7397 72.7627 174.5422 98 S 4.1232 8.2247 118.6691 61.2933 62.8095 177.3431 99 V 3.4100 7.5725 119.9121 65.5767 31.1808 177.6632 100 A 3.8038 7.9711 120.6306 54.9912 18.1080 179.3707 101 A 3.3872 7.6748 119.1811 55.2043 18.2465 179.9454 102 Q 2.7989 7.5635 116.3773 58.9894 28.7550 178.6171 103 H 4.2609 8.2992 117.6419 59.0337 28.6384 177.2926 104 H 4.0809 8.2355 120.0683 59.2586 29.6813 177.4521 105 W 4.4411 8.0881 120.6708 59.5378 28.8843 178.2601 106 A 4.2553 8.5571 121.2419 55.7090 17.8794 179.8010 107 T 3.8312 7.9402 113.5303 66.8349 68.5825 176.7350 108 A 3.8874 8.2655 122.9061 55.1908 18.2337 179.7673 109 I 4.3410 8.7327 119.8980 64.0335 36.9107 178.3700 110 A 4.0382 7.7781 120.4834 55.1541 18.2418 179.6507 111 V 3.7293 7.6307 115.5557 65.7400 31.8987 177.5617 112 L 4.5880 8.5173 116.0319 53.6724 42.7831 176.9633 113 G 3.9529 8.3584 105.0840 44.4562 0.0000 172.1703 114 R 4.0313 8.0833 119.1603 54.6538 30.4012 174.3612 115 P 4.2540 0.0000 0.0000 61.8752 32.5376 176.3122 116 K 4.1458 8.5004 118.5195 59.1766 33.0634 177.1576 117 A 5.0003 7.3536 118.9735 50.5907 23.0918 175.1852 118 I 4.8814 8.5883 120.0941 59.3428 41.2286 174.4074 119 K 5.1290 9.2193 128.8715 55.2469 34.1480 175.2890 120 T 5.2189 8.5759 116.6681 59.9374 73.0383 172.6459 121 D 5.0454 8.3918 121.0621 52.8573 41.1969 175.6918 122 N 4.9190 8.6483 115.6033 53.3417 38.7686 175.9246 123 G 3.8920 8.6411 108.5378 45.5992 0.0000 175.5676 124 S 4.1182 8.5670 116.5931 61.2838 62.3911 176.4423 125 C 3.9976 7.6156 118.3492 59.5070 29.1362 174.7652 126 F 5.1248 7.8811 118.8752 57.6984 39.9793 176.2346 127 T 4.6245 7.7550 106.2440 60.9773 69.4495 174.7785 128 S 4.3251 7.6769 117.9973 58.1289 63.8776 175.0623 129 K 3.8695 8.8376 122.5277 59.8935 31.7974 178.8938 130 S 4.1671 8.0659 112.6462 61.8964 62.3943 176.2270 131 T 4.1355 8.1233 118.3242 66.7593 68.2545 176.9521 132 R 4.0785 8.4298 120.2681 59.4396 30.0168 178.7736 133 E 4.0557 8.6004 119.1424 58.8284 29.4933 178.6491 134 W 4.1845 8.6031 128.5766 60.6153 30.8993 178.0233 135 L 4.1856 8.7043 118.8688 57.7617 41.0383 179.3688 136 A 4.0071 8.2626 120.8582 55.1091 18.0921 179.4648 137 R 3.7124 8.0651 116.5992 59.2469 30.1602 178.0647 138 W 4.1519 7.7199 116.2256 56.0534 29.4220 176.4724 139 G 3.8229 7.8339 106.8868 46.6532 0.0000 173.3215 140 I 4.3542 7.6117 120.1217 58.8265 38.7519 176.1548 141 A 4.2227 8.5249 129.4197 52.1376 19.6542 175.5871 142 H 5.3134 8.6625 119.9225 54.6342 32.9071 172.5352 143 T 4.7475 8.9295 119.3877 60.4941 70.8145 174.0279 144 T 5.2857 8.1605 114.8032 60.4300 70.2740 174.3195 145 G 3.8206 7.6783 106.9042 44.3665 0.0000 174.6036 *152 G 4.0211 8.5050 107.4730 45.3563 0.0000 172.9855 153 Q 4.6686 7.5344 117.0628 53.8496 28.7314 176.0283 154 A 4.0302 8.0729 121.8043 56.3729 18.8062 179.2597 155 M 4.0234 8.0384 117.0289 58.5742 32.1059 179.2223 156 V 3.6794 8.2551 119.2990 64.6691 31.7168 178.2774 157 E 3.9689 8.2079 119.3899 59.2104 29.1988 179.2356 158 R 3.8747 8.2522 118.6020 59.2642 30.0788 178.2614 159 A 3.9667 8.1080 120.6002 55.3330 18.3311 179.1922 160 N 4.2609 8.4601 115.1697 56.7486 38.6256 177.9189 161 R 3.9405 7.8998 118.8022 59.1744 30.1456 179.0516 162 L 3.9850 8.2560 119.1914 57.7017 41.5241 179.6641 163 L 3.9698 8.2603 119.2043 57.8348 41.6467 179.7324 164 K 4.0010 8.1916 118.4503 59.5055 31.9519 179.2166 165 D 4.3552 8.2983 119.2983 57.2206 40.6639 178.7603 166 K 3.9628 8.2479 120.2150 59.4092 32.1033 178.8262 167 I 3.6941 8.1275 120.5760 64.3670 37.0009 178.2140 168 R 3.8722 8.0012 119.3233 59.5199 29.8928 178.6263 169 V 3.5866 7.8590 117.8426 66.0582 31.6452 177.9962 170 L 3.9765 8.3218 118.7966 57.6037 41.3814 179.3218 171 A 4.1672 8.3301 120.9720 55.4903 18.3700 179.6404 172 E 4.1019 8.7039 117.6240 59.4064 29.2409 179.7733 173 G 3.6160 8.0689 105.2437 47.5982 0.0000 174.5172 174 D 4.4415 7.4889 117.6995 54.0304 41.0923 177.3684 175 G 3.6310 7.9141 108.5828 44.9978 0.0000 173.9421 176 F 4.8507 7.4692 119.0827 56.5758 38.1384 175.6116 177 M 4.5218 8.5357 124.9782 55.8634 33.6186 176.8801 178 K 4.6550 7.2337 117.6608 55.9319 32.4749 178.8264 179 R 4.1150 8.6635 128.2946 57.0825 30.4691 174.6621 180 I 3.6074 8.2941 127.4761 60.1969 37.8373 174.2749 181 P 4.0255 0.0000 0.0000 63.4260 31.8768 177.4289 182 T 3.7766 8.7220 120.4160 66.8275 68.2593 176.6117 183 S 4.3185 7.9309 113.2908 59.9511 63.5857 175.1811 184 K 4.4023 7.9472 121.7152 56.9762 32.5855 178.3556 185 Q 4.0679 7.8605 119.2803 58.7176 28.6642 178.5843 186 G 3.6193 8.0031 106.2077 48.0665 0.0000 175.4665 187 E 4.0311 8.1073 121.0821 58.7395 29.4670 179.0930 188 L 3.9746 7.8557 120.1040 57.9471 42.1871 178.7202 189 L 3.9255 8.4272 120.5672 58.1916 41.9592 178.8122 190 A 4.0368 8.1402 120.6905 55.0119 18.1961 179.5341 191 K 3.9743 8.3299 118.1303 59.5642 32.4026 178.9444 192 A 3.9995 8.2992 121.2609 55.3032 18.3021 179.2523 193 M 3.9473 8.2093 116.7178 58.8790 32.3508 177.5453 194 Y 4.2409 8.3752 119.7204 61.0242 38.7149 178.1985 195 A 3.5278 8.0624 120.1128 54.8239 18.5159 179.0488 196 L 4.1214 7.5994 115.5904 56.5085 41.9837 178.1403 197 N 4.5866 7.5600 114.6964 53.8613 39.5785 174.6390 198 H 4.4968 7.6931 121.1037 55.7800 29.2273 173.7516 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 52 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.63 3.80 0.00 1.94 1.92 0.00 3.59 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 54 G 8.32 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 55 L 8.70 4.44 0.00 1.64 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.04 3.88 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 0.00 0.00 0.00 57 P 0.00 4.39 0.00 2.21 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 58 L 8.21 4.17 0.00 1.66 1.63 0.91 0.92 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 59 Q 8.30 4.46 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 60 I 7.81 4.93 1.90 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 1.30 0.70 0.93 0.00 0.00 61 W 8.97 5.51 0.00 3.19 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 62 Q 8.99 5.28 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 63 T 8.77 5.23 4.45 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 1.07 0.00 0.00 64 D 9.06 4.93 0.00 2.78 2.50 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 65 F 8.97 5.45 0.00 2.79 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 66 T 9.45 4.92 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 1.27 0.00 0.00 67 L 8.37 3.90 0.00 0.27 1.05 -0.22 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.07 4.45 0.00 1.97 1.70 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 2.16 2.25 0.00 69 P 0.00 4.17 0.00 2.14 2.00 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 70 R 8.64 3.96 0.00 1.92 1.97 0.00 3.10 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 71 M 7.97 4.54 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 72 A 7.46 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.36 0.00 2.19 2.18 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 74 R 7.66 4.49 0.00 1.82 1.96 0.00 3.20 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 75 S 7.60 4.49 0.00 3.65 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 76 W 8.31 4.86 0.00 3.64 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 77 L 9.25 5.16 0.00 1.77 1.62 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.85 4.25 0.44 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 79 V 8.47 4.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 80 T 8.95 5.18 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 81 V 8.58 4.65 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 0.70 0.00 0.00 0.98 0.00 0.00 82 D 8.89 4.94 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 83 T 9.03 4.00 4.28 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 1.30 0.00 0.00 84 A 8.62 4.16 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 85 S 7.62 4.54 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 86 S 8.58 3.90 0.00 4.02 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 87 A 7.78 4.26 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 88 I 8.64 4.85 1.93 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 1.05 0.83 0.86 0.00 0.00 89 V 8.63 4.52 1.85 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 0.99 0.00 0.00 0.73 0.00 0.00 90 V 8.40 5.14 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 0.82 0.00 0.00 0.97 0.00 0.00 91 T 8.91 4.90 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 1.23 0.00 0.00 92 Q 8.52 5.23 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 93 H 9.11 4.91 0.00 3.36 3.26 0.00 5.61 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 94 G 8.99 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 R 7.59 4.63 0.00 1.65 1.67 0.00 3.42 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 96 V 7.53 2.79 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 0.00 0.00 -0.11 0.00 0.00 -0.95 0.00 0.00 97 T 7.03 4.37 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 1.02 0.00 0.00 98 S 8.22 4.12 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.57 3.41 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 0.88 0.00 0.00 0.88 0.00 0.00 100 A 7.97 3.80 1.19 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 0.00 101 A 7.67 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.56 2.80 0.00 1.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.39 2.11 0.00 103 H 8.30 4.26 0.00 3.36 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.24 4.08 0.00 3.02 3.10 0.00 5.78 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 0.00 105 W 8.09 4.44 0.00 3.17 3.25 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 0.00 106 A 8.56 4.26 1.73 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 0.00 107 T 7.94 3.83 4.38 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 1.21 0.00 0.00 108 A 8.27 3.89 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 0.00 109 I 8.73 4.34 1.82 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.59 0.00 0.00 110 A 7.78 4.04 1.43 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 0.00 0.00 111 V 7.63 3.73 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 0.85 0.00 0.00 0.97 0.00 0.00 112 L 8.52 4.59 0.00 1.94 1.90 0.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.36 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 0.00 0.00 0.00 114 R 8.08 4.03 0.00 1.82 1.84 0.00 3.63 0.00 0.00 3.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 115 P 0.00 4.25 0.00 1.37 0.49 0.00 3.15 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.00 116 K 8.50 4.15 0.00 1.71 1.80 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 117 A 7.35 5.00 1.10 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 0.00 118 I 8.59 4.88 1.50 0.00 0.00 -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 0.85 0.31 0.99 0.00 0.00 119 K 9.22 5.13 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.59 7.81 120 T 8.58 5.22 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 0.93 0.00 0.00 121 D 8.39 5.05 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.65 4.92 0.00 2.78 2.92 0.00 0.00 6.76 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 0.00 123 G 8.64 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.57 4.12 0.00 3.98 4.09 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 0.00 125 C 7.62 4.00 0.00 2.76 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 0.00 126 F 7.88 5.12 0.00 3.30 3.24 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 0.00 127 T 7.76 4.62 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 128 S 7.68 4.33 0.00 4.01 4.21 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 0.00 0.00 0.00 0.00 129 K 8.84 3.87 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 130 S 8.07 4.17 0.00 3.97 3.88 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 0.00 131 T 8.12 4.14 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 1.67 0.00 0.00 132 R 8.43 4.08 0.00 1.95 2.09 0.00 3.22 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 133 E 8.60 4.06 0.00 2.16 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 0.00 2.38 2.46 0.00 134 W 8.60 4.18 0.00 3.75 3.52 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 0.00 135 L 8.70 4.19 0.00 1.83 1.87 0.67 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.26 4.01 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 0.00 137 R 8.07 3.71 0.00 1.78 1.97 0.00 2.66 0.00 0.00 2.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.45 0.00 138 W 7.72 4.15 0.00 3.02 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 0.00 139 G 7.83 3.82 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 0.00 0.00 0.00 140 I 7.61 4.35 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.53 0.00 0.00 141 A 8.52 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.66 5.31 0.00 3.02 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.93 4.75 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 144 T 8.16 5.29 4.29 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 0.00 0.00 0.00 1.23 0.00 0.00 145 G 7.68 3.82 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 0.00 0.00 0.00 *152 G 8.50 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.53 4.67 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 154 A 8.07 4.03 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 0.00 155 M 8.04 4.02 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 156 V 8.26 3.68 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 1.07 0.00 0.00 1.00 0.00 0.00 157 E 8.21 3.97 0.00 2.23 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 2.36 2.59 0.00 158 R 8.25 3.87 0.00 1.88 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 159 A 8.11 3.97 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 0.00 160 N 8.46 4.26 0.00 2.92 2.91 0.00 0.00 7.08 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 0.00 161 R 7.90 3.94 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 162 L 8.26 3.99 0.00 1.78 1.70 0.90 0.59 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 0.00 163 L 8.26 3.97 0.00 1.80 1.71 0.90 0.89 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 0.00 164 K 8.19 4.00 0.00 1.79 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.63 7.81 165 D 8.30 4.36 0.00 2.89 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 0.00 166 K 8.25 3.96 0.00 1.94 1.92 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 167 I 8.13 3.69 2.00 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 1.42 0.67 0.92 0.00 0.00 168 R 8.00 3.87 0.00 1.89 2.09 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 169 V 7.86 3.59 2.20 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 0.98 0.00 0.00 0.94 0.00 0.00 170 L 8.32 3.98 0.00 1.75 1.74 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.33 4.17 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 0.00 172 E 8.70 4.10 0.00 2.05 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 2.34 2.49 0.00 173 G 8.07 3.62 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 0.00 0.00 0.00 174 D 7.49 4.44 0.00 2.42 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 0.00 0.00 0.00 175 G 7.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 7.47 4.85 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 M 8.54 4.52 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 178 K 7.23 4.65 0.00 1.70 0.92 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 179 R 8.66 4.11 0.00 1.78 1.76 0.00 3.40 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 180 I 8.29 3.61 1.85 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 1.30 0.64 0.67 0.00 0.00 181 P 0.00 4.03 0.00 1.76 1.81 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 182 T 8.72 3.78 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 1.18 0.00 0.00 183 S 7.93 4.32 0.00 4.00 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 0.00 184 K 7.95 4.40 0.00 1.70 1.93 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.60 7.81 185 Q 7.86 4.07 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 186 G 8.00 3.62 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 0.00 0.00 0.00 187 E 8.11 4.03 0.00 2.04 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 2.40 2.37 0.00 188 L 7.86 3.97 0.00 1.90 1.81 1.09 0.73 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 0.00 189 L 8.43 3.93 0.00 1.83 1.79 0.93 0.90 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 0.00 190 A 8.14 4.04 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 0.00 191 K 8.33 3.97 0.00 1.97 2.05 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.55 7.81 192 A 8.30 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 0.00 193 M 8.21 3.95 0.00 2.28 2.09 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 2.70 2.57 0.00 194 Y 8.38 4.24 0.00 3.10 3.25 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 0.00 195 A 8.06 3.53 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 0.00 196 L 7.60 4.12 0.00 1.61 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.56 4.59 0.00 2.50 2.52 0.00 0.00 6.82 9.07 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 0.00 198 H 7.69 4.50 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.