NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3670 8.3044 118.1963 54.4137 32.3466 178.3326 2 V 3.3706 8.9123 117.9822 61.1624 31.5443 171.3749 3 E 4.3308 9.3684 126.8850 55.7398 31.6693 175.4714 4 I 4.2806 8.0387 121.6454 60.4684 38.6017 175.2452 5 N 5.1166 8.1768 120.6578 50.4081 41.9290 174.9755 6 N 4.2809 8.6566 116.5926 56.6982 38.4575 177.6234 7 Q 4.1166 8.1579 118.8221 59.1157 28.9800 178.8168 8 R 4.0502 8.6596 119.3848 59.0031 30.0577 179.0389 9 K 3.9797 8.4888 119.6202 59.5352 32.2681 178.7294 10 A 3.8969 8.0892 121.0536 55.0409 18.0505 179.4383 11 F 4.3272 8.5435 119.3319 61.5426 39.4378 177.4534 12 L 3.9753 8.2782 118.7172 57.8725 41.1602 179.2836 13 D 4.3487 8.1733 118.2007 57.4108 40.8219 178.0819 14 M 4.1171 7.8877 117.8137 58.4319 32.5118 177.6834 15 L 4.0129 7.9971 120.4424 57.9969 42.2968 179.7889 16 A 4.1933 8.0899 117.7689 52.8421 17.9115 178.9939 *18 S 4.1037 7.9975 116.4273 59.9313 63.8971 175.5702 19 E 3.9498 8.4821 117.2095 57.2030 29.2674 177.9394 20 G 3.9437 7.6622 107.3735 46.0021 0.0000 174.5684 21 T 4.1492 7.6582 111.5547 62.9257 69.6647 173.3938 22 D 4.9241 7.7942 120.7829 51.8561 40.9842 173.9530 23 N 4.9001 7.7106 117.8742 51.6272 38.5082 177.3840 24 G 4.0003 8.4778 105.2592 46.7092 0.0000 174.5166 25 R 4.3583 7.8393 116.7000 57.5312 32.1046 176.6528 26 Q 4.0230 8.2941 118.4426 55.4842 29.4382 176.0947 27 K 4.1163 8.4444 124.6387 57.4225 33.3520 176.0075 28 T 4.3005 7.8578 112.9143 61.8163 69.7549 173.1160 29 R 4.4403 8.7975 124.9081 56.3554 31.6630 176.7028 30 N 4.8913 7.6940 116.3347 53.8115 39.2709 173.4259 31 H 4.1035 8.9447 108.2793 56.8535 27.3027 176.8821 32 G 3.8637 8.4662 108.4872 45.4867 0.0000 175.7936 33 Y 4.3299 7.9303 117.3856 59.9640 38.1726 176.6698 34 D 3.6035 7.8737 118.7197 52.4496 41.0939 175.2735 35 V 4.5256 7.7299 120.3611 62.6172 32.9142 174.9064 36 I 4.9456 8.8648 129.1620 59.1227 39.6534 175.7280 37 V 3.9739 7.6830 124.5836 62.9534 31.4081 175.6814 38 G 4.0092 8.7854 110.9661 45.0611 0.0000 174.1428 39 G 4.0217 7.9886 105.2297 45.1637 0.0000 173.8202 40 E 4.4243 8.1520 119.4496 55.9577 31.2353 175.3754 41 L 5.3632 8.3959 120.6965 53.0419 44.5691 175.6998 42 F 5.2121 8.2288 116.1419 55.4581 40.4177 175.0480 43 T 4.2503 8.6579 106.8892 60.9516 70.2901 173.2466 44 D 4.7111 8.1779 122.0268 53.5047 41.7369 174.9434 45 Y 4.9081 8.7089 123.7387 58.0722 38.3105 177.5634 46 S 4.5849 8.3105 117.0617 60.6838 63.4733 173.2274 47 D 4.4761 7.5276 117.9772 53.0584 42.4587 173.9145 48 H 2.7782 8.0441 122.3332 54.8611 30.1702 174.5023 49 P 4.0549 0.0000 0.0000 63.7998 31.5323 176.2116 50 R 3.7988 7.2502 116.4660 57.5842 28.0404 175.7169 51 K 4.7211 7.5664 115.1727 54.5371 35.9968 175.7964 52 L 5.5257 8.1061 118.8509 52.3168 45.1403 177.0393 53 V 4.4046 8.2178 111.1463 61.3482 32.9310 175.6945 54 T 4.6193 7.5259 112.9601 61.0314 69.9612 173.0169 55 L 4.4276 8.3076 125.8390 54.3438 42.6142 176.0958 56 N 4.3576 8.0166 119.3092 53.0670 38.9717 173.3499 57 P 4.2770 0.0000 0.0000 65.8168 31.6421 177.8983 58 K 4.1829 8.1017 115.9062 58.6666 32.1618 177.9107 59 L 4.4126 7.9308 115.7503 54.5695 42.2700 176.9538 60 K 3.8849 7.6375 118.8407 57.1322 32.5224 176.1486 61 S 4.6758 8.4770 116.5728 57.2208 65.4242 173.8074 62 T 5.2495 7.8932 114.5576 60.2973 69.1673 174.2746 63 G 3.8222 7.8896 111.5611 46.7530 0.0000 172.9653 64 A 4.9406 8.9482 124.6466 51.6971 22.6378 176.6097 65 G 4.3322 9.4553 107.0681 44.7822 0.0000 174.7390 66 R 3.5617 8.6585 118.6464 58.5744 29.7293 176.7860 67 Y 4.6395 7.3318 112.6379 56.8216 38.7255 175.7155 68 Q 3.5351 7.9338 117.8840 56.9219 27.0263 173.7549 69 L 4.5004 8.2806 119.9739 54.3548 43.3764 176.0779 70 L 4.4658 8.4803 126.3195 54.4187 42.4020 177.2332 71 S 3.7868 8.5504 117.7450 61.4228 63.3207 175.7174 72 R 4.1062 7.6346 121.9847 56.4358 27.4658 175.6681 *75 D 4.5119 8.0461 121.2973 54.0488 43.6556 178.0979 76 A 3.8988 7.8099 120.2509 55.6111 18.2937 179.4456 77 Y 4.1325 7.7927 114.5725 60.8391 37.9841 178.3868 78 R 3.9783 8.1602 119.4373 59.3488 30.0961 178.2884 79 K 3.8968 7.7954 119.2790 59.6549 32.0599 178.4137 80 Q 3.9889 7.9440 118.3088 58.8208 29.0945 177.4817 81 L 4.5361 8.3481 117.1173 53.4862 42.5243 176.4004 82 G 3.9008 7.7772 107.0357 46.4863 0.0000 174.1285 83 L 4.3706 7.8997 118.9661 53.9751 42.5300 177.7206 84 K 4.4157 8.5208 121.0710 56.6610 32.8803 175.2410 85 D 5.0288 7.6086 116.1877 53.7273 41.7778 174.4274 86 F 5.1156 9.0564 120.6967 57.9323 39.7451 176.2404 87 S 4.3788 8.4348 114.3053 56.9241 65.1171 171.8162 88 P 3.4911 0.0000 0.0000 65.4806 30.7719 178.7839 89 K 3.8671 7.6699 117.6309 59.6172 32.1853 178.8512 90 S 4.1645 7.7000 114.7614 61.6997 62.8414 176.6812 91 Q 4.0561 8.2136 120.8623 59.0856 28.3684 178.6704 92 D 4.5030 8.4736 119.6705 57.2438 40.8512 178.5124 93 A 3.9607 8.1151 121.2766 55.2921 18.4147 179.8436 94 V 3.2948 7.8986 116.3058 65.9367 31.6183 177.9937 95 A 3.8426 7.7949 120.1708 55.2544 18.1039 179.6371 96 L 3.8803 8.0074 117.6513 57.8230 41.6019 179.5614 97 Q 3.9028 8.1346 119.6263 59.3342 28.8633 178.4302 98 Q 4.1362 7.9453 119.0406 58.9744 28.8195 178.7784 99 I 3.6892 7.8109 120.9748 63.9613 37.0887 178.3628 100 K 3.8801 8.1952 120.8377 59.6858 31.8667 178.7628 101 E 4.0788 8.1361 117.4222 59.1019 29.3866 178.5863 102 R 4.4243 7.5912 115.9104 55.3739 30.2281 176.6500 103 G 3.8262 7.7860 106.2307 46.9765 0.0000 175.4763 104 A 4.2694 7.6312 121.9105 52.4736 19.1305 179.8455 105 L 3.7695 7.7729 117.8356 57.6518 41.7617 177.6662 106 P 4.2813 0.0000 0.0000 65.7480 31.1528 178.6212 107 M 4.0246 7.8376 117.0963 58.2777 31.9279 178.7216 108 I 3.5061 7.7588 120.0235 64.5296 37.0901 178.0673 109 D 4.4384 8.1642 118.9022 57.2363 40.7940 178.5241 110 R 4.3121 7.9336 113.6857 56.5332 30.2150 177.3161 111 G 3.9659 8.1500 108.9528 46.0413 0.0000 173.7164 112 D 5.0051 8.0971 122.4223 52.9521 37.6356 177.0215 113 I 3.5813 7.2996 124.0059 64.1323 37.8049 177.7992 114 R 3.9429 7.9135 119.1315 59.5383 29.7943 178.5196 115 Q 3.9591 7.9631 117.1227 58.7670 28.9015 178.1032 116 A 3.8859 7.8463 121.6730 55.1729 18.1423 179.6902 117 I 3.8198 8.0673 117.6065 64.6092 37.3678 177.8187 118 D 4.4841 8.0135 118.4989 57.5797 40.8730 178.5542 119 R 3.9719 8.0558 117.4081 59.0876 30.3528 177.9951 120 C 4.4968 8.1727 114.7741 60.3098 27.9941 175.5113 121 S 4.2598 7.8085 117.0018 60.7993 62.3017 175.5394 122 N 4.5172 8.1948 119.9529 55.6614 39.0493 175.1402 123 I 4.2355 7.6846 117.1336 61.4811 37.2623 176.2015 *125 A 4.2230 7.8591 124.6190 51.8465 20.0936 178.5083 126 S 4.5017 8.0419 109.4048 59.6403 63.8962 174.1075 127 L 4.2055 7.8824 123.1339 53.4344 41.7800 174.0910 128 P 4.2488 0.0000 0.0000 64.6245 31.0760 176.3576 129 G 3.9286 9.5555 112.4295 44.7826 0.0000 173.8563 130 A 4.2705 7.2610 122.1351 53.4422 18.3177 179.0014 131 G 3.8181 8.3520 101.3425 45.9291 0.0000 172.7913 132 Y 4.3721 7.8809 117.9807 56.0932 39.6997 176.2299 133 G 3.7854 8.5911 107.7042 46.7320 0.0000 174.0291 134 Q 4.3513 7.4171 118.9472 54.7635 29.5675 175.5811 135 F 4.2503 8.6306 121.8905 58.3202 39.9661 174.0164 136 E 4.5976 7.2995 126.1996 54.5064 31.9282 175.7036 137 H 4.2965 8.2073 121.5023 55.4529 29.8828 175.5437 138 K 4.2362 8.5766 119.3970 55.9645 33.2040 178.0946 139 A 3.9812 8.7754 124.5736 55.5172 18.1871 179.9859 140 D 4.3091 8.0512 116.7472 57.8111 41.0233 179.0979 141 S 4.1616 8.0550 115.0310 61.4663 62.7778 176.6611 142 L 3.9812 7.9487 121.7161 57.9541 41.3675 179.6281 143 I 3.7573 8.3738 119.8811 64.1791 36.9627 178.3838 144 A 4.0135 8.2885 121.8477 55.1306 18.1413 179.6265 145 K 3.9005 8.2075 118.1811 59.5022 32.2243 178.7846 146 F 4.1313 8.6028 121.3227 61.3032 39.3262 177.3459 147 K 4.4113 8.7344 119.8673 58.7724 31.6663 179.0148 148 E 4.0640 8.2399 116.3227 58.3490 29.7169 177.9585 149 A 4.2747 7.2716 120.2099 52.2576 18.8201 177.8291 150 G 3.8068 7.9241 106.4613 44.8937 0.0000 174.4680 151 G 2.9944 7.4183 109.2832 44.6117 0.0000 172.9868 152 T 4.6834 9.1375 111.9797 59.5435 70.5426 174.2614 153 V 4.4644 8.3203 125.0367 61.2936 33.4666 175.3608 154 R 4.1819 8.4834 124.3325 56.5346 29.8389 176.0373 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 8.30 4.37 0.00 2.14 1.40 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 V 8.91 3.37 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 0.78 0.00 0.00 0.92 0.00 0.00 3 E 9.37 4.33 0.00 2.11 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 2.25 2.32 0.00 4 I 8.04 4.28 1.88 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 1.48 0.59 0.93 0.00 0.00 5 N 8.18 5.12 0.00 2.93 2.89 0.00 0.00 6.23 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 6 N 8.66 4.28 0.00 2.75 2.89 0.00 0.00 6.84 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 7 Q 8.16 4.12 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 8 R 8.66 4.05 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 9 K 8.49 3.98 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 A 8.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.54 4.33 0.00 3.52 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 12 L 8.28 3.98 0.00 1.99 1.82 0.93 0.48 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 13 D 8.17 4.35 0.00 2.78 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 14 M 7.89 4.12 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.43 0.00 15 L 8.00 4.01 0.00 1.97 1.83 0.64 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.09 4.19 1.23 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 0.00 0.00 0.00 *18 S 8.00 4.10 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.48 3.95 0.00 2.03 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 2.49 2.47 0.00 20 G 7.66 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 21 T 7.66 4.15 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 1.24 0.00 0.00 22 D 7.79 4.92 0.00 2.59 2.45 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 23 N 7.71 4.90 0.00 2.82 2.90 0.00 0.00 6.04 7.13 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 24 G 8.48 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 0.00 0.00 0.00 25 R 7.84 4.36 0.00 1.83 1.91 0.00 3.14 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 26 Q 8.29 4.02 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 27 K 8.44 4.12 0.00 1.87 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 28 T 7.86 4.30 4.17 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 1.20 0.00 0.00 29 R 8.80 4.44 0.00 1.90 1.92 0.00 3.21 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 30 N 7.69 4.89 0.00 2.76 2.75 0.00 0.00 7.28 7.89 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 31 H 8.94 4.10 0.00 3.35 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.47 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 33 Y 7.93 4.33 0.00 3.17 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 34 D 7.87 3.60 0.00 2.19 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 35 V 7.73 4.53 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 1.03 0.00 0.00 0.91 0.00 0.00 36 I 8.86 4.95 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.94 0.00 0.00 37 V 7.68 3.97 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 0.94 0.00 0.00 0.95 0.00 0.00 38 G 8.79 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.99 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 40 E 8.15 4.42 0.00 1.93 1.89 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 2.40 2.29 0.00 41 L 8.40 5.36 0.00 1.45 1.42 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.23 5.21 0.00 2.87 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 43 T 8.66 4.25 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 1.19 0.00 0.00 44 D 8.18 4.71 0.00 2.68 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 45 Y 8.71 4.91 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 46 S 8.31 4.58 0.00 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.53 4.48 0.00 2.58 2.46 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 48 H 8.04 2.78 0.00 2.44 2.74 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.05 0.00 1.99 1.58 0.00 2.95 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 50 R 7.25 3.80 0.00 2.01 1.97 0.00 3.02 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 51 K 7.57 4.72 0.00 1.74 1.64 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.52 7.81 52 L 8.11 5.53 0.00 1.58 1.53 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.22 4.40 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 0.79 0.00 0.00 0.94 0.00 0.00 54 T 7.53 4.62 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 1.23 0.00 0.00 55 L 8.31 4.43 0.00 1.67 1.68 0.92 1.01 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 56 N 8.02 4.36 0.00 2.77 2.73 0.00 0.00 7.13 7.11 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 57 P 0.00 4.28 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 58 K 8.10 4.18 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 59 L 7.93 4.41 0.00 1.65 1.74 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.64 3.88 0.00 1.80 1.80 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.62 7.81 61 S 8.48 4.68 0.00 3.81 3.65 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 62 T 7.89 5.25 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 1.20 0.00 0.00 63 G 7.89 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 64 A 8.95 4.94 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 65 G 9.46 4.33 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 0.00 0.00 0.00 66 R 8.66 3.56 0.00 0.69 0.66 0.00 2.21 0.00 0.00 2.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.02 0.00 67 Y 7.33 4.64 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 68 Q 7.93 3.54 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 69 L 8.28 4.50 0.00 1.98 1.88 1.08 0.84 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 70 L 8.48 4.47 0.00 1.74 1.62 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.55 3.79 0.00 3.75 3.59 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 72 R 7.63 4.11 0.00 1.85 1.89 0.00 3.20 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 *75 D 8.05 4.51 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 76 A 7.81 3.90 1.05 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 0.00 0.00 77 Y 7.79 4.13 0.00 3.14 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 78 R 8.16 3.98 0.00 1.97 2.14 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 79 K 7.80 3.90 0.00 1.81 1.94 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 80 Q 7.94 3.99 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 81 L 8.35 4.54 0.00 1.79 1.75 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 82 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 83 L 7.90 4.37 0.00 1.77 1.69 1.03 0.93 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 84 K 8.52 4.42 0.00 1.77 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 85 D 7.61 5.03 0.00 3.07 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 86 F 9.06 5.12 0.00 2.83 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 87 S 8.43 4.38 0.00 3.89 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 88 P 0.00 3.49 0.00 1.49 0.49 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 89 K 7.67 3.87 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 90 S 7.70 4.16 0.00 4.16 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 91 Q 8.21 4.06 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.49 2.07 0.00 92 D 8.47 4.50 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.12 3.96 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 94 V 7.90 3.29 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 0.78 0.00 0.00 1.08 0.00 0.00 95 A 7.79 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.01 3.88 0.00 1.78 1.68 0.91 1.24 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 97 Q 8.13 3.90 0.00 2.20 2.00 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 2.49 2.52 0.00 98 Q 7.95 4.14 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 99 I 7.81 3.69 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.69 0.00 0.00 100 K 8.20 3.88 0.00 1.87 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 E 8.14 4.08 0.00 2.20 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 2.53 0.00 102 R 7.59 4.42 0.00 1.71 1.94 0.00 3.35 0.00 0.00 3.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 103 G 7.79 3.83 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 0.00 0.00 0.00 104 A 7.63 4.27 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 0.00 105 L 7.77 3.77 0.00 1.63 1.68 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.28 0.00 2.11 2.07 0.00 3.69 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 2.08 2.14 0.00 107 M 7.84 4.02 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 108 I 7.76 3.51 1.79 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.26 0.90 0.00 0.00 109 D 8.16 4.44 0.00 2.72 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 0.00 110 R 7.93 4.31 0.00 1.97 2.03 0.00 3.32 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 111 G 8.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.10 5.01 0.00 2.74 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 0.00 113 I 7.30 3.58 1.65 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.57 0.00 0.00 114 R 7.91 3.94 0.00 1.85 1.91 0.00 3.17 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 115 Q 7.96 3.96 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 116 A 7.85 3.89 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 0.00 117 I 8.07 3.82 2.07 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 1.41 0.85 0.92 0.00 0.00 118 D 8.01 4.48 0.00 2.83 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 0.00 119 R 8.06 3.97 0.00 1.93 1.97 0.00 3.37 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 120 C 8.17 4.50 0.00 3.21 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 0.00 121 S 7.81 4.26 0.00 4.12 4.16 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 0.00 122 N 8.19 4.52 0.00 2.75 2.93 0.00 0.00 6.94 7.94 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 0.00 123 I 7.68 4.24 2.02 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 1.29 0.78 0.96 0.00 0.00 *125 A 7.86 4.22 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 0.00 126 S 8.04 4.50 0.00 4.22 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 0.00 127 L 7.88 4.21 0.00 1.76 1.66 1.00 0.94 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 0.00 128 P 0.00 4.25 0.00 2.14 2.21 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 129 G 9.56 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 0.00 130 A 7.26 4.27 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 0.00 131 G 8.35 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 0.00 132 Y 7.88 4.37 0.00 3.06 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 0.00 133 G 8.59 3.79 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 0.00 0.00 0.00 134 Q 7.42 4.35 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 135 F 8.63 4.25 0.00 2.98 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 0.00 136 E 7.30 4.60 0.00 1.57 1.63 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 2.27 2.36 0.00 137 H 8.21 4.30 0.00 2.98 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.58 4.24 0.00 1.74 1.72 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 139 A 8.78 3.98 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 0.00 140 D 8.05 4.31 0.00 2.79 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 0.00 141 S 8.05 4.16 0.00 4.05 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 0.00 142 L 7.95 3.98 0.00 1.87 1.66 0.89 0.75 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 0.00 143 I 8.37 3.76 1.96 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 1.42 0.55 0.98 0.00 0.00 144 A 8.29 4.01 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 0.00 145 K 8.21 3.90 0.00 2.00 1.98 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 146 F 8.60 4.13 0.00 3.21 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.73 4.41 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.60 7.81 148 E 8.24 4.06 0.00 2.10 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 0.00 2.53 2.30 0.00 149 A 7.27 4.27 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 0.00 150 G 7.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.42 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 0.00 0.00 0.00 152 T 9.14 4.68 4.30 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 1.22 0.00 0.00 153 V 8.32 4.46 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 0.86 0.00 0.00 1.13 0.00 0.00 154 R 8.48 4.18 0.00 1.97 1.78 0.00 3.35 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.