NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1337 8.1633 120.7151 55.2395 33.7781 173.9967 2 R 5.1467 9.1399 121.4283 51.0300 34.3680 169.6759 3 V 5.5780 7.8648 119.9869 60.7597 35.6014 172.8170 4 V 4.8204 8.7549 124.2038 61.4431 33.6919 173.9651 5 I 4.9048 8.8751 129.9779 60.0949 39.0093 174.7507 6 Q 5.1774 9.1028 126.4860 54.0367 31.9214 174.7813 7 R 4.7885 8.7684 124.1643 55.7943 31.4131 175.5585 8 V 4.9247 8.4397 117.3857 59.5755 36.4219 175.6688 9 K 4.7887 9.5883 121.5294 54.6539 32.7087 175.9852 10 G 4.5590 7.2412 106.0366 42.9463 0.0000 173.0845 11 A 5.2264 8.2836 121.7750 51.7339 22.9214 175.7262 12 I 4.2543 8.4592 124.2405 60.8685 39.0948 174.7556 13 L 5.2085 9.0503 128.7683 53.4276 44.9193 175.2764 14 S 5.2474 9.6385 121.1633 56.9925 67.5621 173.3278 15 V 4.7899 8.2320 114.8193 59.1865 35.6655 175.1053 16 R 4.3497 8.6108 123.2761 57.1125 30.3160 177.7580 *26 E 4.2807 8.5711 118.2590 55.5125 31.5394 172.4576 27 L 5.0275 7.8713 118.0118 53.8347 45.0495 176.3105 28 E 4.5126 8.9263 121.0437 54.0545 31.7518 173.9352 29 I 4.2844 8.4781 126.2554 62.2956 37.0806 175.7300 30 I 4.6743 9.1785 118.4132 60.3250 39.5239 175.7099 31 S 4.8622 7.9764 117.7584 56.9275 67.1747 172.8417 32 E 5.3420 8.5842 121.2536 55.1751 33.5765 174.4061 33 I 4.9053 8.2858 115.8585 57.8744 41.8083 175.1247 34 K 4.5791 8.7855 123.6248 55.6750 31.3310 177.1807 35 N 4.7262 7.9992 123.1488 53.4508 39.8804 173.3220 36 G 4.3976 7.3686 109.3420 45.3626 0.0000 172.8833 37 L 5.2516 9.0105 124.9918 52.9229 45.8893 174.8733 38 I 4.6026 8.5150 124.0461 59.8319 40.1092 174.0705 39 C 5.2294 9.0529 126.1859 58.1317 31.8858 172.7659 40 F 5.1406 9.4663 123.7090 55.8687 40.8520 174.7045 41 L 5.1865 9.5019 126.2097 53.3547 45.0030 175.0840 42 G 4.6505 9.1864 114.7740 45.1617 0.0000 171.9684 43 I 5.0308 8.6382 126.3687 60.1221 38.8165 175.2193 44 H 3.8476 9.8941 127.8605 55.1185 30.5458 176.1065 45 K 3.7798 7.8688 124.4231 59.3926 31.9428 177.8902 46 N 4.7705 8.1381 113.0201 52.9102 38.6512 174.3806 47 D 4.6651 7.6145 119.9092 54.5233 40.7386 177.3301 48 T 4.5487 8.4663 116.1859 60.4481 71.5562 175.2969 49 W 4.3916 9.0990 131.7845 61.0663 30.5590 178.1544 50 E 4.0235 8.3555 118.2611 61.1500 28.8075 182.7862 51 D 4.6045 7.8939 118.7896 57.2634 40.8734 178.8417 52 A 3.9137 7.7623 121.1145 54.7501 18.1378 179.7989 53 L 3.4899 7.6528 117.9806 57.7991 41.6088 178.7391 54 Y 3.9047 7.8818 119.4907 61.0274 38.6473 178.0803 55 I 3.7272 7.5011 119.7458 64.5279 37.1029 178.0840 56 I 2.7980 7.9167 120.5390 64.4186 37.0512 178.1954 57 R 3.7686 8.4220 120.0469 59.5997 30.0587 178.7848 58 K 3.9111 8.1160 118.1789 59.3238 31.7337 179.3840 59 C 4.2436 7.8332 116.6394 62.9353 27.0049 175.7845 60 L 4.1546 7.8875 120.5961 56.9116 40.9882 178.4150 61 N 4.8490 7.7460 113.9715 52.4452 40.2904 175.5149 62 L 4.0069 7.3966 121.1790 55.1767 42.1406 176.8743 63 R 4.8606 8.5944 123.0633 55.4882 28.7857 176.0747 64 L 4.9777 8.6161 119.1405 53.9967 42.9548 175.8783 65 W 4.7630 8.5844 119.4739 54.5990 32.8240 174.8535 66 N 4.7922 8.5829 119.3136 53.0512 39.8902 174.1144 67 N 5.0071 9.4246 121.3733 52.2436 41.6443 176.7012 68 D 4.3659 9.2037 128.4225 55.6110 40.2629 175.1828 69 N 4.4503 9.6089 123.8779 57.3083 39.4959 176.5352 70 K 4.2854 8.3641 120.3030 54.2256 32.5242 178.0384 71 T 4.8518 8.1111 111.5311 58.7121 71.6280 174.0352 72 W 4.0027 7.5532 119.4102 57.3363 26.5802 173.8714 73 D 4.9145 8.0343 117.4840 54.7714 43.8535 176.9850 74 K 4.9567 8.3218 118.2045 54.5568 34.9950 176.4381 75 N 5.6419 9.2756 122.8395 50.7540 39.7402 176.5616 76 V 3.5056 8.6463 117.8839 64.7763 31.8595 178.7843 77 K 3.6338 7.7291 119.8992 59.3021 31.5769 178.6070 78 D 4.3524 8.3257 117.9388 57.7160 40.8337 178.6420 79 L 3.9718 6.8072 114.8184 52.9993 42.8647 177.2217 80 N 4.3004 7.3203 113.7792 53.2457 36.0251 172.1617 81 Y 5.4389 8.0914 116.0968 56.1562 41.7628 174.8395 82 E 5.1587 8.6000 117.7383 55.2059 33.9618 175.2965 83 L 5.0421 9.0787 120.7621 52.9935 45.6657 175.3389 84 L 5.5099 9.0313 126.1250 52.7687 44.0421 174.9819 85 I 4.7455 8.3337 127.0929 59.6428 39.5035 174.9347 86 V 4.5138 8.5591 128.0562 60.6758 34.0948 174.8346 87 S 4.8227 8.6803 122.8128 58.7534 63.3370 174.2433 88 Q 4.7029 9.3508 127.6679 54.5791 29.3959 174.7742 89 F 4.5031 8.7259 119.0526 59.1370 38.7302 178.3226 90 T 3.4204 6.7264 110.8965 63.3816 68.5950 175.9508 91 L 4.0208 7.8384 121.8957 57.0545 41.8262 177.3009 92 F 4.7118 8.4575 117.8688 57.4605 40.1497 176.4040 93 G 3.9490 8.2513 108.8633 44.8656 0.0000 172.2321 94 N 4.4474 8.8501 124.9191 54.6465 39.4290 174.7595 95 T 4.4880 8.6896 116.7518 61.8139 70.1390 176.7003 96 K 4.0620 8.0617 123.6978 57.4235 31.8992 183.3247 97 K 4.2785 7.9771 115.9419 56.8360 32.7572 177.9917 98 G 3.8371 6.2444 103.9556 46.1346 0.0000 171.4422 99 N 4.5033 8.2580 115.8312 54.1420 39.7133 175.1072 100 K 4.0849 7.8274 119.2975 54.8922 32.0631 174.6056 101 P 4.5379 0.0000 0.0000 62.3530 32.3795 175.1176 102 D 4.2733 7.7600 117.5721 52.8365 44.3277 175.3055 103 F 5.9300 7.9524 123.1313 56.6848 39.9826 177.1508 104 H 4.4888 8.3737 119.2318 58.4783 29.0678 176.9134 105 L 4.1761 8.0532 117.4736 54.7433 41.8903 175.1925 106 A 4.5626 7.6243 124.2176 50.4362 20.1906 178.2937 107 K 3.8059 8.8535 127.1060 55.6976 32.5424 173.2258 108 E 3.6574 8.9277 124.7114 55.2895 30.1680 175.9790 109 P 4.3957 0.0000 0.0000 66.1250 31.6120 178.0471 110 N 4.3138 8.5797 114.4660 56.5219 38.6804 177.1108 111 E 4.0159 8.6419 119.5762 59.4050 29.5095 179.5064 112 A 4.1090 8.6318 121.2030 55.0259 18.4486 179.2839 113 L 2.7938 7.7105 118.8586 58.0364 42.0432 179.1691 114 I 3.7064 7.6335 118.1074 64.0295 38.0621 177.4399 115 F 4.2964 8.3633 121.5741 61.5042 39.0587 176.5190 116 Y 4.1742 8.7469 119.4739 60.8112 38.7157 177.4993 117 N 4.2879 8.4792 117.4787 56.5982 38.7965 177.4537 118 K 4.0051 8.5753 119.9171 59.6325 31.9761 179.4971 119 I 3.7127 7.5944 119.6255 64.2697 36.9849 178.4072 120 I 3.7686 7.9111 120.9822 64.3129 36.7500 178.1012 121 D 4.3802 8.1890 119.7123 57.6230 40.8058 178.6730 122 E 3.4953 8.3144 119.0530 58.6796 29.3505 178.9391 123 F 4.0735 8.1871 117.8525 60.6024 39.3558 177.2975 124 K 4.1915 8.5415 118.4916 59.2563 31.6233 179.0988 125 K 3.8865 8.7302 119.9658 59.8211 32.2497 178.1644 126 Q 4.3991 7.8359 114.1642 55.7464 28.9937 175.3108 127 Y 5.2118 8.4938 121.5778 57.3794 43.3872 174.7357 128 N 4.6088 8.8674 112.0494 52.3271 42.6680 173.9757 129 D 4.5863 8.9023 125.6395 55.6737 39.3656 176.6483 130 D 4.7828 7.9227 117.6466 54.1591 41.5643 176.5107 131 K 4.3662 8.3226 118.6573 55.8925 33.8587 175.7681 132 I 4.7247 7.3433 120.6551 59.4398 36.4739 174.8269 133 K 4.3234 8.3086 124.3492 56.0475 33.8149 177.2021 134 I 4.8695 8.1972 117.3721 58.9800 40.3228 174.2066 135 G 4.1931 7.9483 106.4601 43.7212 0.0000 173.3374 136 K 4.2021 8.4156 120.7015 54.7901 30.6335 174.6086 137 F 3.7302 8.4609 125.1442 59.2986 39.6505 175.6491 138 G 3.8634 8.0778 116.1483 45.5096 0.0000 173.2950 139 N 4.7182 7.4317 115.8616 51.8640 39.6319 174.4219 140 Y 4.0503 8.5709 122.1510 58.7750 39.2757 175.5903 141 M 4.9370 7.1734 124.4864 53.5620 36.2076 173.7896 142 N 4.8285 9.3669 122.2236 52.0123 41.2190 173.4422 143 I 4.8787 8.2268 126.3738 59.5039 40.2600 174.8359 144 D 4.6580 8.7040 128.1535 54.0375 42.0357 176.0488 145 V 4.5634 8.2607 122.1919 61.6616 34.6569 175.8392 146 T 4.5009 8.6010 126.0492 61.3012 67.4816 172.3827 147 N 4.6519 8.3289 119.9782 53.9760 39.7536 173.9029 148 D 4.3308 9.6792 124.2292 56.6794 42.3448 174.3646 149 G 3.7681 9.1267 117.5201 45.1656 0.0000 171.8361 150 P 4.6410 0.0000 0.0000 60.8436 32.7658 175.5517 151 V 4.4762 8.0951 117.4811 61.4016 34.2823 173.9183 152 T 5.1154 8.7005 124.0274 61.8637 71.1268 173.3198 153 I 4.5868 9.2089 127.6521 59.5673 40.2433 173.9563 154 Y 5.1396 8.6290 126.6402 55.9020 41.1809 174.4742 155 I 4.3323 7.6457 126.5226 59.4688 41.2206 174.4444 156 D 4.5590 8.1191 124.2235 52.4531 42.5054 175.6088 157 T 3.4626 8.5206 116.1929 64.4971 69.0117 176.2825 158 H 4.4446 8.1881 114.7719 55.8446 28.1325 175.0882 159 D 4.5245 8.1116 126.1691 54.4953 40.7984 176.3977 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 5.13 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 5.15 0.00 1.45 1.73 0.00 2.21 0.00 0.00 3.17 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.27 0.00 3 V 7.86 5.58 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 0.81 0.00 0.00 1.10 0.00 0.00 4 V 8.75 4.82 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 1.16 0.00 0.00 1.09 0.00 0.00 5 I 8.88 4.90 1.91 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 1.28 0.85 0.94 0.00 0.00 6 Q 9.10 5.18 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 7 R 8.77 4.79 0.00 1.63 1.76 0.00 2.21 0.00 0.00 2.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.00 8 V 8.44 4.92 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 0.77 0.00 0.00 0.99 0.00 0.00 9 K 9.59 4.79 0.00 1.60 1.80 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.24 7.81 10 G 7.24 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 0.00 0.00 0.00 0.00 11 A 8.28 5.23 1.24 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 0.00 0.00 12 I 8.46 4.25 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 1.37 1.13 0.92 0.00 0.00 13 L 9.05 5.21 0.00 1.64 1.59 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.64 5.25 0.00 3.76 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 15 V 8.23 4.79 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 0.85 0.00 0.00 0.97 0.00 0.00 16 R 8.61 4.35 0.00 1.85 1.88 0.00 3.16 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 *26 E 8.57 4.28 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 27 L 7.87 5.03 0.00 1.61 1.60 0.98 1.01 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 28 E 8.93 4.51 0.00 1.99 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 2.21 2.28 0.00 29 I 8.48 4.28 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 0.92 0.00 0.00 30 I 9.18 4.67 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 1.25 0.68 0.96 0.00 0.00 31 S 7.98 4.86 0.00 3.74 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 32 E 8.58 5.34 0.00 1.79 1.78 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 2.21 2.31 0.00 33 I 8.29 4.91 1.86 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 1.22 1.21 0.89 0.00 0.00 34 K 8.79 4.58 0.00 1.83 1.41 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.52 7.81 35 N 8.00 4.73 0.00 1.44 1.66 0.00 0.00 7.48 8.04 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 36 G 7.37 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 37 L 9.01 5.25 0.00 1.63 1.57 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.51 4.60 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 1.45 1.05 0.00 0.00 39 C 9.05 5.23 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.47 5.14 0.00 2.93 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 41 L 9.50 5.19 0.00 1.84 1.72 1.14 1.11 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 42 G 9.19 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.64 5.03 2.02 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.99 0.00 0.00 44 H 9.89 3.85 0.00 3.05 3.34 0.00 5.60 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 45 K 7.87 3.78 0.00 1.69 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.32 7.81 46 N 8.14 4.77 0.00 2.68 2.79 0.00 0.00 6.92 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 7.61 4.67 0.00 2.56 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 48 T 8.47 4.55 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 1.27 0.00 0.00 49 W 9.10 4.39 0.00 3.49 3.21 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 50 E 8.36 4.02 0.00 2.01 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 2.31 1.97 0.00 51 D 7.89 4.60 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 52 A 7.76 3.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.49 0.00 1.72 1.58 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.88 3.90 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.50 3.73 2.01 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 1.81 0.86 1.01 0.00 0.00 56 I 7.92 2.80 1.46 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.05 0.18 0.00 0.00 57 R 8.42 3.77 0.00 1.79 1.74 0.00 3.00 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 58 K 8.12 3.91 0.00 1.77 1.77 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.45 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.90 1.16 7.81 59 C 7.83 4.24 0.00 3.45 3.21 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 60 L 7.89 4.15 0.00 1.72 1.59 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.75 4.85 0.00 2.65 2.81 0.00 0.00 7.04 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 62 L 7.40 4.01 0.00 1.94 1.66 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.86 0.00 2.02 2.10 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 64 L 8.62 4.98 0.00 0.92 1.31 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.58 4.76 0.00 3.24 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 66 N 8.58 4.79 0.00 2.59 2.75 0.00 0.00 6.33 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 67 N 9.42 5.01 0.00 2.68 2.68 0.00 0.00 7.37 7.20 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 68 D 9.20 4.37 0.00 2.80 2.19 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 69 N 9.61 4.45 0.00 2.70 2.88 0.00 0.00 6.71 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 70 K 8.36 4.29 0.00 1.67 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 71 T 8.11 4.85 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 1.18 0.00 0.00 72 W 7.55 4.00 0.00 3.39 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 73 D 8.03 4.91 0.00 2.82 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 74 K 8.32 4.96 0.00 1.83 1.67 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.47 7.81 75 N 9.28 5.64 0.00 3.08 3.15 0.00 0.00 6.60 7.75 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 76 V 8.65 3.51 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 0.76 0.00 0.00 1.09 0.00 0.00 77 K 7.73 3.63 0.00 1.86 1.73 0.00 1.53 0.00 0.00 1.31 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.90 7.81 78 D 8.33 4.35 0.00 2.60 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 79 L 6.81 3.97 0.00 0.27 0.70 0.29 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.32 4.30 0.00 2.66 2.75 0.00 0.00 6.76 8.19 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 81 Y 8.09 5.44 0.00 2.82 2.85 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 82 E 8.60 5.16 0.00 1.88 1.90 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 2.21 2.30 0.00 83 L 9.08 5.04 0.00 1.42 1.32 1.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.03 5.51 0.00 1.63 1.41 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.33 4.75 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.33 0.83 0.00 0.00 86 V 8.56 4.51 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 0.92 0.00 0.00 0.77 0.00 0.00 87 S 8.68 4.82 0.00 3.79 3.45 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 88 Q 9.35 4.70 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 89 F 8.73 4.50 0.00 3.33 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 90 T 6.73 3.42 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 -0.01 0.00 0.00 91 L 7.84 4.02 0.00 1.70 1.56 1.08 0.67 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 92 F 8.46 4.71 0.00 3.32 3.18 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 0.00 0.00 0.00 0.00 93 G 8.25 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 94 N 8.85 4.45 0.00 2.80 2.73 0.00 0.00 6.67 6.51 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 95 T 8.69 4.49 4.18 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 0.00 0.00 0.00 1.23 0.00 0.00 96 K 8.06 4.06 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 97 K 7.98 4.28 0.00 1.78 1.85 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 98 G 6.24 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 99 N 8.26 4.50 0.00 2.70 2.86 0.00 0.00 6.71 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 7.83 4.08 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 101 P 0.00 4.54 0.00 1.64 1.79 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 102 D 7.76 4.27 0.00 2.46 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 0.00 0.00 0.00 0.00 103 F 7.95 5.93 0.00 3.33 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 0.00 104 H 8.37 4.49 0.00 3.13 3.35 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 8.05 4.18 0.00 1.78 1.48 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.62 4.56 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.81 0.00 1.51 1.65 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.28 7.81 108 E 8.93 3.66 0.00 2.00 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 2.38 2.34 0.00 109 P 0.00 4.40 0.00 2.22 2.16 0.00 3.63 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 2.04 2.06 0.00 110 N 8.58 4.31 0.00 2.93 2.86 0.00 0.00 7.10 7.66 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 0.00 111 E 8.64 4.02 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 2.34 2.34 0.00 112 A 8.63 4.11 1.68 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 0.00 0.00 113 L 7.71 2.79 0.00 1.02 1.66 0.43 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.63 3.71 1.89 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 1.44 1.01 1.05 0.00 0.00 115 F 8.36 4.30 0.00 3.48 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 0.00 116 Y 8.75 4.17 0.00 3.30 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 0.00 117 N 8.48 4.29 0.00 2.99 2.90 0.00 0.00 7.10 6.96 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 0.00 118 K 8.58 4.01 0.00 2.06 2.06 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.48 7.81 119 I 7.59 3.71 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.42 0.98 0.00 0.00 120 I 7.91 3.77 1.88 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 1.10 0.51 0.87 0.00 0.00 121 D 8.19 4.38 0.00 3.03 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 0.00 122 E 8.31 3.50 0.00 2.53 1.99 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 2.66 2.38 0.00 123 F 8.19 4.07 0.00 3.31 3.02 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 0.00 124 K 8.54 4.19 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 125 K 8.73 3.89 0.00 1.82 2.06 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 7.84 4.40 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 127 Y 8.49 5.21 0.00 2.96 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 0.00 128 N 8.87 4.61 0.00 2.44 1.93 0.00 0.00 6.62 8.49 0.00 0.00 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 8.90 4.59 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.92 4.78 0.00 2.60 2.65 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 0.00 0.00 0.00 0.00 131 K 8.32 4.37 0.00 1.27 1.83 0.00 1.82 0.00 0.00 1.55 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.95 0.67 7.81 132 I 7.34 4.72 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.78 0.00 0.00 133 K 8.31 4.32 0.00 1.86 1.70 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.42 7.81 134 I 8.20 4.87 2.07 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 1.41 0.75 0.94 0.00 0.00 135 G 7.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.42 4.20 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.48 7.81 137 F 8.46 3.73 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.08 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 0.00 139 N 7.43 4.72 0.00 2.92 2.80 0.00 0.00 6.90 7.06 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 0.00 140 Y 8.57 4.05 0.00 2.95 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 0.00 141 M 7.17 4.94 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 142 N 9.37 4.83 0.00 2.92 2.72 0.00 0.00 6.73 7.83 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 0.00 143 I 8.23 4.88 1.93 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 1.33 0.78 0.96 0.00 0.00 144 D 8.70 4.66 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.56 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 0.87 0.00 0.00 1.00 0.00 0.00 146 T 8.60 4.50 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 0.00 147 N 8.33 4.65 0.00 2.61 2.79 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 9.68 4.33 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 149 G 9.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.64 0.00 2.20 2.08 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 151 V 8.10 4.48 1.99 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 1.20 0.00 0.00 0.97 0.00 0.00 152 T 8.70 5.12 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 1.30 0.00 0.00 153 I 9.21 4.59 1.90 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 1.13 1.11 0.91 0.00 0.00 154 Y 8.63 5.14 0.00 2.92 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 0.00 155 I 7.65 4.33 1.78 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 1.12 0.87 0.97 0.00 0.00 156 D 8.12 4.56 0.00 2.76 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 0.00 157 T 8.52 3.46 4.18 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 0.00 0.00 0.00 1.30 0.00 0.00 158 H 8.19 4.44 0.00 3.17 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.11 4.52 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.