NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.4241 8.0393 120.6528 63.1269 32.6829 174.4599 3 T 4.5774 8.7082 117.2462 59.5629 72.2211 171.1289 4 L 4.7883 9.2320 124.5442 52.7501 45.9153 176.5424 5 K 4.7579 8.5031 122.4959 54.4537 34.8434 175.5281 6 E 4.9740 8.7959 125.3197 56.2793 31.0405 176.0745 7 S 4.7253 9.5268 117.5892 57.3180 67.0405 173.4217 8 G 4.5207 8.1677 107.1195 45.3670 0.0000 170.7483 9 P 4.3685 0.0000 0.0000 63.9337 31.8801 177.0606 10 G 4.4172 9.2165 114.3428 45.3191 0.0000 172.2365 11 I 5.3657 7.0793 119.1447 58.6961 41.5597 173.2512 12 L 4.7239 8.9051 127.1035 54.8993 44.7142 174.1791 13 Q 4.9316 8.9723 118.1330 52.9304 30.7559 174.0177 14 P 4.4519 0.0000 0.0000 64.7850 31.7267 176.7414 15 S 4.3808 9.3564 117.4956 57.8992 62.6956 169.0666 16 Q 4.3732 7.6708 119.9497 55.6771 30.4998 174.6977 17 T 4.6631 8.0981 117.2600 62.3281 69.8317 174.7743 18 L 4.0794 8.8445 129.8861 54.9446 43.5154 175.7646 19 S 4.9454 8.4942 121.2587 56.9286 65.6283 173.0384 20 L 4.8796 8.6203 125.5800 53.0329 44.4035 175.9143 21 T 5.3492 8.9881 119.5548 62.0086 71.9662 172.0504 22 C 5.3544 9.5488 126.3100 54.9202 47.4774 172.4876 23 S 5.2315 8.6128 121.5318 56.7101 65.8286 172.9238 24 F 5.2198 8.5096 122.1530 55.8292 41.4311 175.1660 25 S 4.6209 8.8273 118.1644 57.2480 66.8977 174.6783 26 G 3.8031 9.2815 109.4895 45.8760 0.0000 173.1444 27 F 4.2336 7.7756 117.2714 56.9457 41.8124 172.9295 28 S 4.7612 7.2074 121.8319 56.6426 63.6966 174.4780 29 L 4.1754 8.5878 128.4764 56.7590 41.6767 178.9469 30 S 4.3401 7.7245 114.8963 59.8803 62.9452 180.1052 31 T 3.7531 7.2481 113.9318 62.2036 67.3096 173.4627 32 S 2.7900 8.2684 123.5897 59.5672 62.7160 174.1559 33 G 3.3358 5.3800 113.6883 45.4496 0.0000 172.4833 34 M 5.0424 7.5562 118.7561 54.2748 34.3935 175.2007 35 G 4.4962 9.0114 110.4312 44.5541 0.0000 171.3963 35A V 5.0160 8.5846 122.5565 60.8142 34.8108 174.2870 35B S 5.3908 9.1444 121.2214 56.3198 66.3019 172.3512 36 W 5.2253 9.0226 123.7900 55.0893 31.6146 174.9174 37 I 5.4569 9.6121 125.3149 59.6581 41.1483 174.5818 38 R 5.0936 9.0590 119.6359 55.0656 33.7002 174.2822 39 Q 4.7495 8.8149 121.5934 54.6153 31.9439 172.3314 40 P 4.6787 0.0000 0.0000 61.8571 32.2731 176.4184 41 S 4.2139 8.5316 117.6600 60.4272 63.0798 174.9156 42 G 3.9348 9.3729 112.2297 45.7769 0.0000 172.4364 43 K 4.5982 7.7181 117.7128 54.2533 36.2311 175.6406 44 G 3.9388 8.3895 109.2369 45.3820 0.0000 172.7027 45 L 4.7645 8.1563 118.7879 53.9715 43.1870 176.6178 46 E 4.7119 9.1951 122.9082 54.0994 32.5498 174.5023 47 W 4.5668 9.2111 135.0000 57.8277 31.4050 174.2876 48 L 4.3463 8.5294 125.3631 55.4550 43.2565 176.2012 49 A 4.5558 6.8618 117.4266 50.8413 23.4219 173.3149 50 H 5.4958 9.3730 118.0895 54.8160 33.9783 172.0103 51 I 5.0818 8.4522 123.5621 59.6939 41.7247 173.8046 52 Y 5.2484 8.8059 126.3299 55.8018 40.0450 176.6867 53 W 4.3855 9.5601 118.8389 59.3014 28.0001 176.6495 54 D 4.4734 6.8508 116.6526 52.9199 38.9793 176.4487 55 D 4.5634 8.1854 116.9185 54.9963 40.7120 173.1344 56 D 4.6105 7.7806 118.6883 54.5690 42.1604 175.1760 57 K 5.1784 8.7022 124.0414 54.7077 35.7528 175.5834 58 R 4.8744 8.9065 121.0912 54.8045 34.1805 174.0992 59 Y 5.0758 8.6534 118.9076 56.0740 42.2798 174.5698 60 N 5.0130 8.6563 122.2058 52.5090 39.7415 174.1734 61 P 4.3992 0.0000 0.0000 64.9950 31.2667 177.9216 62 S 4.1878 8.3368 113.1718 61.5941 62.5546 175.4874 63 L 4.1068 8.3950 120.7120 54.4271 41.9917 176.4188 64 K 3.8869 7.5925 118.0320 57.8569 30.5923 176.5631 65 S 4.4527 7.7258 112.6654 56.7770 63.1603 172.7215 66 R 4.2897 8.6429 125.7674 56.0933 30.1399 176.0723 67 L 5.1284 7.2862 117.9784 53.4593 43.9545 176.0812 68 T 4.7220 8.7336 118.3984 61.9409 72.4774 172.5861 69 I 5.1875 9.1877 127.4963 59.6383 40.2656 174.4491 70 S 4.9220 8.9487 122.2617 57.8067 66.8443 172.7214 71 K 4.9176 8.4678 117.8393 55.5861 35.8976 175.4030 72 D 4.6909 8.9887 122.8928 53.4974 43.2922 176.8726 73 T 3.9158 8.8786 119.5986 63.8484 68.7970 172.7406 74 S 4.3687 8.1474 115.7492 61.0752 63.2998 175.7353 75 R 4.0154 8.4232 119.0010 56.8255 30.3454 175.9320 76 N 4.1967 8.0332 114.9153 54.3290 36.5188 173.1517 77 Q 5.1425 7.4370 114.6579 54.3151 34.2146 175.5676 78 V 4.6486 8.4732 120.3511 61.1701 35.0312 174.3600 79 F 5.8044 9.5394 124.3656 55.7063 43.0771 173.7601 80 L 5.0317 8.7546 123.4416 53.1991 44.9992 175.0471 81 K 4.9335 9.0342 125.9956 54.7341 34.8606 175.3846 82 I 4.9684 8.3483 125.0669 59.7013 40.0052 175.1002 82A T 4.4032 8.6763 118.1166 60.9719 70.3549 174.4742 82B S 3.7172 8.5469 115.5962 59.2949 60.5195 173.3111 82C V 3.8315 7.3873 112.9960 61.9557 32.0970 175.5524 83 D 5.1768 9.1477 122.9056 51.9664 44.5393 176.2674 84 T 3.9675 8.4447 109.2593 64.5088 68.5143 175.6543 85 A 4.2182 7.9671 122.8929 53.8044 18.4955 177.2186 86 D 4.7824 8.1269 114.9347 54.3507 41.3201 176.7506 87 T 4.3187 7.8370 117.7219 64.1066 68.8967 173.6022 88 A 4.2950 8.6185 126.9882 51.9599 23.8483 174.2057 89 T 4.8159 8.0144 114.0881 61.3114 69.1339 172.9636 90 Y 5.0531 9.2168 126.7525 56.5838 40.5988 174.2109 91 Y 5.5612 9.7804 122.5294 56.4403 41.3800 172.4021 92 C 4.6005 9.0226 117.7526 54.0592 42.4682 172.7448 93 T 4.6054 8.2116 116.5497 61.5188 72.4855 172.4731 94 L 5.0578 8.5204 127.1276 53.3718 45.3725 174.5193 95 Y 5.1931 8.9659 123.0849 56.3987 41.3805 174.1110 96 Y 4.9170 8.6328 125.4849 56.0009 41.9950 174.4082 97 G 3.4395 8.6699 119.1630 47.8826 0.0000 175.4200 98 S 4.3874 8.6918 119.7609 58.4582 62.7598 172.2735 99 V 4.3063 7.4586 119.1736 61.9632 33.3494 173.7625 100 D 4.7190 7.7964 122.9870 52.7286 43.9103 173.8993 101 Y 4.9182 8.7839 123.7169 55.9565 41.1729 174.7820 102 W 4.9979 8.9452 122.7382 54.6740 32.5796 175.7631 103 G 4.1160 8.4979 112.9099 45.6483 0.0000 174.2451 104 Q 4.3439 8.7566 117.5611 56.1595 28.5272 174.0325 105 G 3.9397 8.7185 103.2425 45.1851 0.0000 172.4058 106 T 4.6098 8.5478 115.5798 59.8362 70.5204 172.9440 107 S 4.7227 8.6676 123.6120 58.0620 64.1452 172.6083 108 V 4.6613 9.1890 126.6795 61.4318 34.7681 174.0665 109 T 4.9644 8.8337 123.8642 61.7363 71.8306 173.0123 110 V 4.9282 8.4714 127.1192 61.8914 32.6285 174.5826 111 S 4.5755 8.5406 121.2969 58.0487 66.0593 176.6473 112 S 4.1738 8.6957 115.9418 60.3518 63.0919 175.2333 113 A 3.6676 6.8676 124.1676 52.8654 18.3393 178.0632 *114 K 4.3140 8.1274 123.0039 54.1183 32.7404 175.6628 115 T 4.7029 8.3044 117.9183 64.5923 69.5749 174.3407 116 T 4.5869 9.2323 120.6119 62.1655 73.3527 171.8292 117 P 4.8467 0.0000 0.0000 61.8180 32.2725 174.4613 118 P 4.7795 0.0000 0.0000 63.2921 32.8714 176.0711 *119 S 4.6816 8.4689 120.7488 58.0775 63.9483 175.3310 *120 V 4.2411 8.1363 125.4593 59.6577 32.4343 172.4022 121 Y 4.2641 9.0010 121.7285 56.5655 39.2500 176.6443 *138 G 3.9431 8.1620 109.4342 45.4647 0.0000 173.6664 139 C 5.0846 8.3252 117.7211 57.8923 31.7757 172.1940 140 L 4.8485 8.9529 126.1711 53.7526 43.6576 175.0919 141 V 4.8943 9.1511 127.3089 61.3784 33.3853 174.0918 142 K 4.8364 8.8087 129.5545 54.8012 35.1587 175.8753 143 G 4.1520 8.5887 113.7809 47.2588 0.0000 171.8961 144 Y 5.1168 7.6891 115.6038 55.4360 42.0790 176.0813 145 F 5.2982 9.0434 121.6618 56.8219 43.5062 172.2765 146 P 3.8537 0.0000 0.0000 61.0437 33.6085 175.0963 147 E 4.0994 8.0970 118.6264 56.0073 29.8724 174.5516 148 P 4.7990 0.0000 0.0000 61.7652 33.7179 175.4002 149 V 4.2224 7.9133 115.6634 59.0783 34.1394 175.9019 150 T 4.4018 8.3812 123.7270 61.9359 69.5665 175.2556 151 V 4.2979 8.2595 123.3058 58.9600 34.5443 171.6534 152 T 4.8060 8.1040 113.6794 58.6594 71.9552 173.0966 153 W 4.4634 8.3507 120.2570 55.6216 31.1629 175.7153 154 N 4.0689 9.8995 125.6379 55.1851 35.1307 174.5069 *155 S 4.7729 8.2760 119.7981 58.3102 60.6738 171.5330 *156 G 3.8570 7.5986 109.9408 45.2495 0.0000 172.5801 *163 H 4.4458 8.2224 119.5354 56.5524 30.6760 172.3381 *164 T 4.7952 8.1947 115.9552 59.7075 70.2179 172.9872 165 F 4.6955 9.0786 126.7348 55.0025 40.0751 174.2532 166 P 4.3592 0.0000 0.0000 62.6753 31.7490 176.1757 167 A 4.7897 8.4911 123.1213 52.2765 19.3870 176.8749 168 V 4.6389 8.7069 117.9391 59.9198 35.4393 174.4963 169 L 4.5999 8.5549 122.9073 54.0556 42.6047 176.2664 170 Q 4.3423 9.1628 124.6932 56.0193 30.7868 176.3544 *171 S 3.8214 9.6154 119.5376 59.1774 59.7150 168.9313 172 D 4.4242 8.3144 116.4361 55.2868 38.5816 173.7836 173 L 4.7750 7.7378 119.2469 52.8856 45.6965 175.5327 174 Y 4.6496 8.5672 120.6546 58.1307 39.2726 174.8117 175 T 5.2404 8.7591 119.5285 62.1667 72.7644 172.6797 176 L 4.9829 9.2226 124.9315 54.9532 46.4270 173.2494 177 S 5.2579 8.5097 116.2240 57.7438 66.4007 172.2233 178 S 5.4889 9.1528 114.0575 57.2054 66.3642 172.3625 179 S 4.8839 9.1461 116.8336 56.6690 66.1135 174.6293 180 V 3.4493 7.5851 120.0291 61.6539 31.1038 175.3341 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 2 V 8.04 4.42 1.49 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 0.31 0.00 0.00 0.82 0.00 0.00 3 T 8.71 4.58 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 1.21 0.00 0.00 4 L 9.23 4.79 0.00 1.44 1.23 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.50 4.76 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.25 7.81 6 E 8.80 4.97 0.00 2.06 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 2.70 2.33 0.00 7 S 9.53 4.73 0.00 3.82 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 8 G 8.17 4.52 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 0.00 0.00 0.00 9 P 0.00 4.37 0.00 2.18 2.16 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 10 G 9.22 4.42 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 0.00 11 I 7.08 5.37 1.97 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 1.40 0.99 1.00 0.00 0.00 12 L 8.91 4.72 0.00 1.98 1.70 0.97 0.51 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 13 Q 8.97 4.93 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.16 0.00 14 P 0.00 4.45 0.00 2.01 2.02 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 15 S 9.36 4.38 0.00 4.00 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 0.00 16 Q 7.67 4.37 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 17 T 8.10 4.66 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 1.13 0.00 0.00 18 L 8.84 4.08 0.00 1.54 1.30 0.26 0.37 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 19 S 8.49 4.95 0.00 3.66 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 20 L 8.62 4.88 0.00 0.75 1.13 0.10 0.58 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 21 T 8.99 5.35 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 1.43 0.00 0.00 22 C 9.55 5.35 0.00 2.77 2.92 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 23 S 8.61 5.23 0.00 3.74 3.70 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 24 F 8.51 5.22 0.00 2.94 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 25 S 8.83 4.62 0.00 3.71 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 26 G 9.28 3.80 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 0.00 0.00 0.00 27 F 7.78 4.23 0.00 2.80 2.81 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 28 S 7.21 4.76 0.00 3.69 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.59 4.18 0.00 1.58 1.58 0.71 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.72 4.34 0.00 3.65 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 31 T 7.25 3.75 3.69 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 0.73 0.00 0.00 32 S 8.27 2.79 0.00 3.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 5.38 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.56 5.04 0.00 2.53 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.77 0.00 35 G 9.01 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35A V 8.58 5.02 2.01 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 0.89 0.00 0.00 0.92 0.00 0.00 35B S 9.14 5.39 0.00 4.27 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 36 W 9.02 5.23 0.00 3.30 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 37 I 9.61 5.46 2.07 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 1.61 1.35 1.24 0.00 0.00 38 R 9.06 5.09 0.00 0.92 1.35 0.00 2.34 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 39 Q 8.81 4.75 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 40 P 0.00 4.68 0.00 2.24 2.11 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 41 S 8.53 4.21 0.00 3.89 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 42 G 9.37 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 43 K 7.72 4.60 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.60 7.81 44 G 8.39 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 45 L 8.16 4.76 0.00 1.66 1.78 1.02 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 46 E 9.20 4.71 0.00 2.04 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 2.26 2.31 0.00 47 W 9.21 4.57 0.00 3.41 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 48 L 8.53 4.35 0.00 1.65 1.53 1.18 0.69 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 49 A 6.86 4.56 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 50 H 9.37 5.50 0.00 3.66 3.24 0.00 5.53 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.45 5.08 1.87 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 1.24 1.73 0.95 0.00 0.00 52 Y 8.81 5.25 0.00 2.84 2.63 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 53 W 9.56 4.39 0.00 3.44 3.57 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 54 D 6.85 4.47 0.00 2.46 1.96 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 55 D 8.19 4.56 0.00 2.80 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 56 D 7.78 4.61 0.00 2.78 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 57 K 8.70 5.18 0.00 1.62 1.29 0.00 1.90 0.00 0.00 2.04 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.65 7.81 58 R 8.91 4.87 0.00 2.03 2.10 0.00 3.33 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 59 Y 8.65 5.08 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.66 5.01 0.00 2.67 2.61 0.00 0.00 7.01 7.25 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 61 P 0.00 4.40 0.00 2.36 2.37 0.00 3.96 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 62 S 8.34 4.19 0.00 3.97 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 63 L 8.39 4.11 0.00 1.84 1.65 0.93 0.95 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 64 K 7.59 3.89 0.00 2.18 1.83 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 65 S 7.73 4.45 0.00 3.73 3.54 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 66 R 8.64 4.29 0.00 1.88 2.04 0.00 3.34 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 67 L 7.29 5.13 0.00 1.33 1.60 0.92 0.78 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 68 T 8.73 4.72 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 1.28 0.00 0.00 69 I 9.19 5.19 1.99 0.00 0.00 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 1.46 1.28 0.82 0.00 0.00 70 S 8.95 4.92 0.00 4.07 4.06 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 71 K 8.47 4.92 0.00 1.76 1.75 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.46 7.81 72 D 8.99 4.69 0.00 2.94 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 73 T 8.88 3.92 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 74 S 8.15 4.37 0.00 3.99 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 75 R 8.42 4.02 0.00 2.32 2.27 0.00 3.43 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 76 N 8.03 4.20 0.00 2.96 2.93 0.00 0.00 6.56 7.74 0.00 0.00 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0.00 2.98 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 91 Y 9.78 5.56 0.00 3.01 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 92 C 9.02 4.60 0.00 2.04 1.18 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 T 8.21 4.61 3.68 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 -0.14 0.00 0.00 94 L 8.52 5.06 0.00 1.71 1.40 0.70 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.97 5.19 0.00 2.92 2.86 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 96 Y 8.63 4.92 0.00 3.09 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 97 G 8.67 3.44 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 0.00 98 S 8.69 4.39 0.00 3.64 3.77 0.00 0.00 0.00 0.00 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0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.95 4.85 0.00 1.86 1.66 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 141 V 9.15 4.89 2.22 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 0.84 0.00 0.00 0.93 0.00 0.00 142 K 8.81 4.84 0.00 1.92 1.85 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.49 7.81 143 G 8.59 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 0.00 0.00 0.00 144 Y 7.69 5.12 0.00 3.35 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.04 5.30 0.00 3.21 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 0.00 146 P 0.00 3.85 0.00 1.64 0.84 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 147 E 8.10 4.10 0.00 1.68 1.72 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 1.47 1.57 0.00 148 P 0.00 4.80 0.00 2.10 1.96 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 149 V 7.91 4.22 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 0.81 0.00 0.00 0.93 0.00 0.00 150 T 8.38 4.40 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 1.17 0.00 0.00 151 V 8.26 4.30 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 0.82 0.00 0.00 0.93 0.00 0.00 152 T 8.10 4.81 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 1.22 0.00 0.00 153 W 8.35 4.46 0.00 3.20 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 0.00 154 N 9.90 4.07 0.00 2.96 2.94 0.00 0.00 7.39 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 *155 S 8.28 4.77 0.00 3.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 G 7.60 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 *163 H 8.22 4.45 0.00 2.45 2.98 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 *164 T 8.19 4.80 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 0.00 165 F 9.08 4.70 0.00 2.98 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 0.00 166 P 0.00 4.36 0.00 2.26 2.12 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 2.05 0.00 167 A 8.49 4.79 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 0.00 168 V 8.71 4.64 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 0.89 0.00 0.00 0.96 0.00 0.00 169 L 8.55 4.60 0.00 1.47 1.50 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 9.16 4.34 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 *171 S 9.62 3.82 0.00 3.76 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 0.00 172 D 8.31 4.42 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 173 L 7.74 4.77 0.00 1.57 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 8.57 4.65 0.00 1.58 2.33 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 0.00 175 T 8.76 5.24 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 1.29 0.00 0.00 176 L 9.22 4.98 0.00 1.90 1.74 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.51 5.26 0.00 4.15 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 0.00 178 S 9.15 5.49 0.00 4.06 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 0.00 179 S 9.15 4.88 0.00 3.84 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 0.00 180 V 7.59 3.45 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 -0.77 0.00 0.00 0.45 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.