NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3772 8.1227 122.4589 51.8238 20.8228 174.3680 4 V 4.8114 8.4047 114.3558 59.8050 34.3888 174.4473 5 T 4.8525 10.1068 118.3344 60.1523 72.5875 172.3482 6 Q 5.3317 8.5665 121.7584 54.7222 32.6440 174.8017 7 S 4.6577 8.6704 113.2160 57.1513 66.4345 173.2784 8 P 4.9080 0.0000 0.0000 62.4997 32.5450 175.8550 9 R 4.3912 8.0909 114.7507 55.8317 30.2167 176.3574 10 N 4.5331 7.3736 111.2412 52.6539 42.1845 173.9624 11 K 4.4438 8.8361 126.7410 54.5137 34.9732 174.7943 12 V 4.5906 8.4503 127.6564 61.6503 32.9572 174.5663 13 A 4.8789 8.8329 128.1252 50.6873 23.6092 174.5506 14 V 4.7836 8.5096 111.5208 59.4739 34.7147 176.1118 15 T 3.8331 8.5238 120.0002 66.0365 68.6609 172.8585 16 G 4.2679 9.6535 117.9557 44.9123 0.0000 173.2577 17 E 4.0750 7.4881 121.0029 56.0331 31.0104 175.7360 18 K 5.4206 8.4155 125.9334 54.6999 33.2093 175.5681 19 V 4.4568 8.4246 127.7167 61.4516 34.4940 174.4863 20 T 4.9317 8.1361 121.5735 61.9094 72.2307 173.0670 21 L 4.8836 8.8457 126.2545 53.0801 44.7263 175.6092 22 S 5.3164 9.1338 118.3057 56.9528 66.5976 172.3264 23 C 5.5696 8.8131 121.6258 54.9154 43.8191 172.1577 24 N 6.3000 9.7542 124.2472 51.0187 42.2426 172.8485 25 Q 5.0951 8.5617 121.0497 54.6954 31.7398 174.2444 26 T 4.5456 8.5821 111.9205 61.8604 67.9733 175.1734 27 N 4.1692 8.2814 121.8034 54.5019 38.9632 176.1613 28 N 4.3064 8.1590 114.3505 54.1677 38.0628 173.7436 29 H 4.5701 7.3978 113.1893 55.9281 29.2044 175.2760 30 N 4.8053 8.6716 118.6315 54.5940 39.4438 174.8188 31 N 5.4380 8.3363 117.3737 51.2131 41.0796 174.1601 32 M 5.2209 7.7805 121.2869 54.1377 36.6971 173.6389 33 Y 5.5772 10.0822 120.7820 56.1397 43.0453 174.6839 34 W 5.4327 10.1822 121.5682 55.7731 31.8429 174.5789 35 Y 5.4826 9.9699 123.1607 56.1502 41.3936 175.1109 36 R 4.9164 8.8621 116.2431 54.5956 33.1240 173.7747 37 Q 5.1239 9.2402 124.0919 54.7435 31.0110 173.8791 38 D 5.1409 8.9166 125.7564 52.3806 44.9464 175.6991 39 T 4.0827 8.4649 118.7193 64.9692 69.0073 175.8808 40 G 4.0155 8.9500 113.3571 45.8707 0.0000 173.5706 41 H 4.7767 7.5941 113.6572 54.3326 32.1673 176.3687 42 G 3.7124 8.3007 108.7753 46.4671 0.0000 172.7768 43 L 5.0151 8.3446 123.2334 53.9651 43.2409 176.1223 44 R 4.8291 8.7901 120.7012 54.3418 34.5974 174.0893 45 L 3.6826 8.5417 125.7401 55.0985 42.9486 176.3112 46 I 4.1768 8.6956 127.0154 63.0866 38.7495 175.1996 47 Y 5.4384 7.7869 117.2955 57.3580 42.9444 172.8361 48 Y 5.3324 8.6522 117.7740 56.8296 42.1067 173.2263 49 S 4.2905 8.1847 113.9289 56.7756 66.1853 174.6187 50 Y 4.9148 8.9215 119.8302 57.5644 38.2238 175.6860 51 G 3.9375 7.6111 109.0462 44.3474 0.0000 171.2207 52 A 4.2323 8.1121 122.1749 54.3726 18.2141 178.0299 53 G 3.9195 8.8167 111.2163 44.9965 0.0000 172.5603 54 S 4.6124 7.8799 115.0310 57.0745 63.6160 174.1350 55 T 4.6000 8.3853 122.9813 62.1382 70.9047 171.9727 56 E 4.3723 8.5453 126.2733 53.9655 31.5847 175.7042 57 K 3.1487 8.4559 124.8473 56.1699 32.3666 177.5848 58 G 3.9278 8.1137 118.2844 46.6288 0.0000 173.5664 59 D 4.6152 8.8537 120.0016 56.2053 41.5909 177.3651 60 I 4.5325 7.5676 111.3257 58.4154 37.1028 173.1413 61 P 4.5072 0.0000 0.0000 66.6183 32.2196 177.7748 62 D 4.2533 7.9228 116.6717 55.1744 41.2592 177.3006 63 G 3.6402 8.9541 111.5544 45.9776 0.0000 171.9217 *65 Y 5.2013 7.2784 115.6448 58.2878 39.5337 173.9153 66 K 4.2538 7.9974 118.0103 55.6281 36.0624 173.9997 67 A 5.0101 7.7760 125.7172 50.9590 23.0781 175.3121 68 S 4.6126 8.6845 113.1432 56.8299 67.9530 175.0820 69 R 5.4490 8.5026 123.4315 53.3141 28.3717 174.3471 70 P 4.3787 0.0000 0.0000 65.6921 32.2174 176.5797 71 S 4.4515 7.5293 113.3486 57.6292 64.5166 173.3749 72 Q 4.2367 8.8593 116.1544 58.9037 29.3150 176.7178 73 E 4.2933 8.0564 115.2946 57.6555 30.4365 175.9337 74 N 6.0987 7.9062 117.6972 50.3431 42.3903 173.3105 75 F 5.7067 8.8858 125.2321 56.7029 42.8909 173.2439 76 S 5.4304 9.1405 120.7687 56.4753 66.4310 172.6097 77 L 4.7738 8.3614 122.9267 53.4665 44.4028 175.2170 78 T 4.8096 8.7341 121.8603 61.8088 72.4676 173.0044 79 L 3.9605 8.8744 127.8092 53.1435 42.1353 176.9409 80 E 3.7195 8.8472 124.9251 58.8041 30.2431 176.4256 81 S 5.9417 7.5845 115.5880 54.3026 62.5511 171.7912 82 A 4.3909 8.6858 126.4569 51.9637 20.0236 176.5150 83 T 4.7936 8.1251 108.1582 59.6215 72.4264 173.0844 84 P 4.4030 0.0000 0.0000 65.7677 31.4691 178.9148 85 S 4.2825 8.0687 110.6869 60.3433 62.9769 174.4942 86 Q 4.6008 7.7683 119.5023 56.0679 28.6092 175.2013 87 T 4.3626 7.8313 116.4783 63.3582 69.1850 174.2165 88 S 4.5403 8.7452 120.8434 58.3484 67.5030 175.1756 89 V 4.5875 7.2104 121.3459 61.8040 32.8367 174.0547 90 Y 5.1537 8.7425 125.3325 56.3246 40.6175 174.7072 91 F 5.5042 9.7750 121.9514 56.0051 42.8784 173.4246 92 C 5.3253 9.3402 121.4912 55.1468 45.0200 172.0255 93 A 5.8586 8.9640 123.4617 51.0388 22.7747 175.3124 94 S 5.2372 8.7231 113.2257 56.9050 66.9249 173.1296 95 G 4.6884 9.6612 108.5445 44.7558 0.0000 173.1721 96 D 4.6209 8.7910 120.5198 53.3229 39.8744 175.9375 97 A 3.7143 8.0041 121.6348 53.8305 15.5091 178.6028 98 S 4.2548 7.8841 116.6643 58.8623 62.3375 173.6916 99 G 3.4589 9.0752 109.6725 47.6171 0.0000 172.4353 100 G 3.7456 8.3753 120.8281 45.9947 0.0000 172.6244 *104 N 4.5488 7.9530 114.3370 52.1839 38.6891 174.3441 105 T 3.8175 8.3889 116.6621 62.0523 68.1404 172.6994 106 L 4.5676 7.7924 126.5528 53.1272 43.9667 175.2112 107 Y 4.4710 8.2455 120.8673 56.3919 39.8821 174.8297 108 F 5.4042 8.9528 123.0655 55.9986 41.3100 176.0544 109 G 4.2142 9.1510 110.1167 45.2072 0.0000 173.5442 110 A 4.4995 8.7856 120.6393 52.3831 18.5344 178.6420 111 G 3.9753 9.7616 101.9472 45.4085 0.0000 173.6757 112 T 4.4505 7.6771 113.6691 61.4450 72.2362 173.7308 113 R 4.4304 8.6187 128.5615 55.9312 31.1977 174.6369 114 L 5.8143 9.2761 129.2666 52.3029 45.2282 175.2008 115 S 4.9870 8.6395 119.5041 56.4993 66.6591 172.9784 116 V 4.5646 8.4319 123.0751 61.3546 32.5611 175.3656 117 L 4.3515 8.3277 127.4038 54.8124 41.2692 176.9668 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 3 A 8.12 4.38 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 4 V 8.40 4.81 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 5 T 10.11 4.85 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 1.25 0.00 0.00 6 Q 8.57 5.33 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 7 S 8.67 4.66 0.00 3.92 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 8 P 0.00 4.91 0.00 2.22 2.07 0.00 3.77 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 1.97 1.96 0.00 9 R 8.09 4.39 0.00 1.84 2.01 0.00 3.29 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 10 N 7.37 4.53 0.00 2.55 2.71 0.00 0.00 6.72 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 11 K 8.84 4.44 0.00 1.80 1.59 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.34 7.81 12 V 8.45 4.59 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 0.82 0.00 0.00 0.93 0.00 0.00 13 A 8.83 4.88 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 14 V 8.51 4.78 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 0.98 0.00 0.00 15 T 8.52 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 16 G 9.65 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 0.00 0.00 0.00 0.00 17 E 7.49 4.07 0.00 2.05 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 2.26 2.25 0.00 18 K 8.42 5.42 0.00 1.77 1.65 0.00 1.67 0.00 0.00 2.24 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.30 7.81 19 V 8.42 4.46 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 0.75 0.00 0.00 0.83 0.00 0.00 20 T 8.14 4.93 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 1.15 0.00 0.00 21 L 8.85 4.88 0.00 0.97 1.49 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.13 5.32 0.00 3.79 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 23 C 8.81 5.57 0.00 2.89 3.01 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 24 N 9.75 6.30 0.00 2.83 2.62 0.00 0.00 6.57 7.02 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 25 Q 8.56 5.10 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.15 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 26 T 8.58 4.55 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 1.20 0.00 0.00 27 N 8.28 4.17 0.00 2.79 2.24 0.00 0.00 6.72 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 28 N 8.16 4.31 0.00 2.83 2.88 0.00 0.00 7.22 7.91 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 29 H 7.40 4.57 0.00 3.38 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.67 4.81 0.00 2.62 2.98 0.00 0.00 6.89 8.00 0.00 0.00 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 N 8.34 5.44 0.00 2.88 2.58 0.00 0.00 6.99 8.24 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 32 M 7.78 5.22 0.00 1.70 1.44 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 2.54 2.64 0.00 33 Y 10.08 5.58 0.00 2.91 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 34 W 10.18 5.43 0.00 3.50 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 35 Y 9.97 5.48 0.00 3.29 3.07 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 36 R 8.86 4.92 0.00 1.24 1.66 0.00 2.70 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 37 Q 9.24 5.12 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 38 D 8.92 5.14 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.46 4.08 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 1.21 0.00 0.00 40 G 8.95 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 41 H 7.59 4.78 0.00 3.33 3.30 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 42 G 8.30 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 0.00 0.00 0.00 43 L 8.34 5.02 0.00 1.56 1.58 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.79 4.83 0.00 1.75 1.77 0.00 3.12 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 45 L 8.54 3.68 0.00 1.15 1.31 0.38 0.66 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 46 I 8.70 4.18 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.16 0.00 0.00 47 Y 7.79 5.44 0.00 3.06 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 48 Y 8.65 5.33 0.00 2.44 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 49 S 8.18 4.29 0.00 3.44 3.39 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 50 Y 8.92 4.91 0.00 2.77 2.84 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 51 G 7.61 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 52 A 8.11 4.23 1.27 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 0.00 0.00 53 G 8.82 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.88 4.61 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.39 4.60 4.31 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 1.49 0.00 0.00 56 E 8.55 4.37 0.00 1.16 1.22 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 1.47 1.47 0.00 57 K 8.46 3.15 0.00 1.50 1.52 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.14 1.34 7.81 58 G 8.11 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 59 D 8.85 4.62 0.00 2.66 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 I 7.57 4.53 1.89 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 1.50 0.56 0.90 0.00 0.00 61 P 0.00 4.51 0.00 2.26 1.99 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 62 D 7.92 4.25 0.00 2.79 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 63 G 8.95 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.28 5.20 0.00 3.15 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.00 4.25 0.00 1.74 1.58 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.28 7.81 67 A 7.78 5.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.68 4.61 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.50 5.45 0.00 1.96 1.80 0.00 3.56 0.00 0.00 2.94 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 70 P 0.00 4.38 0.00 2.24 2.24 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 71 S 7.53 4.45 0.00 3.94 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 72 Q 8.86 4.24 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 73 E 8.06 4.29 0.00 2.00 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 2.46 2.34 0.00 74 N 7.91 6.10 0.00 2.66 2.75 0.00 0.00 6.63 8.01 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 75 F 8.89 5.71 0.00 2.90 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 76 S 9.14 5.43 0.00 4.10 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 77 L 8.36 4.77 0.00 0.27 0.13 0.75 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.73 4.81 4.10 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 1.12 0.00 0.00 79 L 8.87 3.96 0.00 1.35 1.42 0.61 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.85 3.72 0.00 1.95 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 0.00 2.33 2.32 0.00 81 S 7.58 5.94 0.00 3.85 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 82 A 8.69 4.39 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 83 T 8.13 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 84 P 0.00 4.40 0.00 2.20 2.14 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 85 S 8.07 4.28 0.00 4.00 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 86 Q 7.77 4.60 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 87 T 7.83 4.36 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 1.27 0.00 0.00 88 S 8.75 4.54 0.00 3.90 3.42 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 89 V 7.21 4.59 2.03 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 0.32 0.00 0.00 0.91 0.00 0.00 90 Y 8.74 5.15 0.00 2.99 2.94 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 91 F 9.77 5.50 0.00 3.22 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 92 C 9.34 5.33 0.00 1.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.96 5.86 0.57 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 0.00 0.00 94 S 8.72 5.24 0.00 4.05 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 95 G 9.66 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.79 4.62 0.00 2.85 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 97 A 8.00 3.71 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 98 S 7.88 4.25 0.00 4.00 3.91 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 99 G 9.08 3.46 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 0.00 100 G 8.38 3.75 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 0.00 0.00 0.00 *104 N 7.95 4.55 0.00 3.00 3.03 0.00 0.00 6.25 7.71 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 0.00 105 T 8.39 3.82 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 1.20 0.00 0.00 106 L 7.79 4.57 0.00 1.02 0.77 0.25 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.25 4.47 0.00 3.05 2.93 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 0.00 108 F 8.95 5.40 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.15 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 0.00 0.00 0.00 110 A 8.79 4.50 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.76 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 0.00 0.00 0.00 112 T 7.68 4.45 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 1.27 0.00 0.00 113 R 8.62 4.43 0.00 1.89 2.00 0.00 3.12 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 114 L 9.28 5.81 0.00 1.77 1.62 0.97 0.48 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 0.00 115 S 8.64 4.99 0.00 3.89 3.91 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 0.00 116 V 8.43 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 0.82 0.00 0.00 0.94 0.00 0.00 117 L 8.33 4.35 0.00 1.59 1.55 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.