NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 Y 4.5044 8.2445 119.1528 56.5795 37.7397 173.3116 8 R 4.5311 7.6588 123.7159 52.6853 32.0177 175.8632 9 L 3.9814 9.3244 125.7810 57.6017 43.1594 178.2842 10 D 4.8600 8.1415 116.0311 56.4391 40.8813 176.6117 11 D 4.6316 7.7373 118.0547 55.4350 41.7515 177.2978 12 Q 4.2398 8.2381 120.5254 55.2795 29.9506 176.8485 13 I 3.8601 8.5884 124.9663 63.8429 38.0822 178.1709 14 G 3.6480 8.1087 106.4762 47.6414 0.0000 175.2554 15 F 4.4664 8.2420 122.8447 61.1367 39.5590 176.8649 16 I 3.4875 7.6939 119.2543 64.4891 36.9505 178.3248 17 L 3.9743 8.3814 119.9288 57.8576 41.3745 179.6184 18 R 3.9189 7.9837 118.5315 59.5408 29.9910 178.6707 19 Q 3.8753 8.0282 117.6924 58.7065 28.6179 178.3348 20 A 3.9756 7.9727 121.8518 55.1807 18.3636 179.1675 21 N 4.2711 8.2749 115.4738 57.0416 39.0353 177.1547 22 Q 4.0084 8.3735 119.6646 58.7687 28.6973 178.6573 23 R 3.8371 8.1771 119.8292 59.5614 30.0947 177.7632 24 Y 3.9349 8.2664 119.1998 60.8278 38.7344 177.8634 25 A 4.0292 8.3972 121.4091 55.2971 18.3811 179.5774 26 A 3.9064 7.9344 119.0168 55.2940 18.5720 179.7753 27 L 3.8190 7.9800 117.7240 57.7845 41.6115 179.6779 28 F 3.5622 8.2295 120.5283 61.1542 39.1634 176.9507 29 A 4.0531 8.0088 119.0473 55.4901 18.2176 179.0946 30 N 4.4582 8.1245 114.0730 55.5813 38.6466 176.9581 31 G 3.7379 7.3095 105.0621 45.4425 0.0000 175.3798 32 I 3.1924 7.2048 121.2392 62.5360 37.7196 177.8167 33 G 3.8694 8.1951 106.2068 45.1254 0.0000 173.1671 34 N 4.7921 7.2708 114.4195 51.7279 37.6697 174.7034 35 G 3.9724 8.0602 105.1868 46.7985 0.0000 173.5246 36 L 4.8911 8.0185 118.7590 53.0013 43.4810 177.6165 37 T 4.2534 8.5658 112.9803 60.7548 70.8602 173.8687 38 P 3.1616 0.0000 0.0000 65.9288 31.1746 179.0299 39 T 3.9308 7.7165 107.6907 64.7132 68.9773 176.3298 40 Q 4.0233 7.8486 121.1966 58.7473 28.8258 179.2561 41 W 4.2972 8.5363 128.7531 60.3106 30.7138 177.7896 42 A 3.8604 8.3246 120.5769 55.2207 17.8928 179.3114 43 A 3.8665 8.2247 119.4984 55.1999 18.3412 179.5923 44 L 3.7522 7.6843 118.6255 58.2414 42.0902 179.2314 45 V 3.1866 7.6034 118.3971 65.9128 31.3646 177.9177 46 R 3.8068 8.0441 118.5046 59.4819 30.0759 178.5047 47 L 4.1884 7.5086 120.0251 56.9238 41.2602 179.7844 48 G 3.5511 7.4818 105.0740 47.6585 0.0000 175.4350 49 E 4.1191 7.7055 120.1530 59.0807 29.5255 178.7868 50 T 4.2062 8.1992 109.2976 63.3118 69.6244 176.0452 51 G 4.1039 8.0840 109.5646 43.9326 0.0000 170.5367 52 P 4.7807 0.0000 0.0000 63.2957 31.6440 175.6034 53 C 4.7200 8.3300 121.3814 57.5294 35.1530 171.1082 54 P 4.7241 0.0000 0.0000 62.4026 31.7538 177.0413 55 Q 3.9425 9.0016 123.9706 59.8352 28.8871 179.0039 56 N 4.4798 8.0583 116.7031 56.0338 38.8077 177.1539 57 Q 3.9418 7.9804 120.7867 58.8862 29.0294 177.4920 58 L 4.0209 8.1431 121.0601 58.2072 42.3407 178.9287 59 G 3.7816 8.0077 105.3557 48.0122 0.0000 175.6975 60 R 4.1391 7.9030 118.4265 57.5559 30.1767 177.9638 61 L 4.5363 7.5257 117.3896 54.9703 42.1405 176.8489 62 T 4.3948 7.2606 108.0000 60.3354 69.2625 173.2751 63 A 3.3756 8.0654 124.3814 53.1545 15.3260 177.1845 *65 D 4.4190 7.8820 119.7698 53.1213 41.9831 175.9976 66 A 3.9275 8.3930 119.8779 55.5563 18.2066 179.6414 67 A 3.9252 7.9118 118.4789 55.4624 18.6485 179.8144 68 T 3.7750 8.3574 114.2916 66.9240 68.6094 176.7679 69 I 3.6833 8.2731 120.8087 63.7598 37.9233 177.6201 70 K 4.1475 7.8205 122.3071 58.8398 31.8871 178.7436 71 G 3.6854 8.0593 105.7485 48.2087 0.0000 175.9758 72 V 3.7492 7.7160 114.5064 63.5475 31.6173 178.9518 73 V 3.5982 7.8007 118.2960 66.0023 31.3021 177.8835 74 E 3.9912 8.1677 118.3373 59.6168 28.8395 179.6748 75 R 3.9307 7.8313 118.2108 59.0952 30.0446 178.8545 76 L 4.0231 8.4609 120.6071 57.8190 41.9738 178.6359 77 D 4.2647 8.1360 118.2655 57.0730 41.0828 177.7881 78 K 3.9175 7.9921 119.0850 59.6249 32.1206 177.7308 79 R 4.4030 7.6260 114.5630 55.5542 30.3380 176.8827 80 G 3.8815 8.2506 107.3542 46.3783 0.0000 174.4420 81 L 4.7293 8.2299 119.7798 54.5302 42.9517 176.1589 82 I 5.2414 7.7173 111.4040 58.8673 41.2210 174.6366 83 Q 4.6532 9.2013 120.4293 54.5667 31.7215 174.2230 84 R 5.3369 8.5139 120.7185 54.8971 32.7433 175.4443 85 S 4.7183 8.6825 114.9432 56.7928 66.7087 173.7325 86 A 4.4543 8.6362 123.8411 52.2823 19.2289 176.7706 87 D 4.4841 9.3317 122.9732 53.6836 41.6528 175.5851 88 P 4.3954 0.0000 0.0000 64.8931 31.6281 176.5455 89 D 4.6667 7.9337 117.4383 54.1845 41.5766 176.4213 90 D 4.3911 7.6683 116.4147 53.3846 42.4991 175.9399 91 G 3.9500 8.5687 115.0109 47.4013 0.0000 172.8836 92 R 4.0222 8.1417 117.9989 57.9490 30.5863 176.2274 93 R 4.7317 8.2930 118.8558 54.4098 32.8732 174.6456 94 L 5.1877 8.4227 123.2993 53.0833 44.4420 175.6519 95 L 4.9422 9.1579 121.9984 53.0320 45.1433 175.5786 96 V 4.8673 8.8432 122.3257 61.5018 34.3235 174.3624 97 S 4.9582 8.7541 120.0171 56.5783 66.6053 172.7264 98 L 4.6321 8.3590 123.2778 54.4511 42.1686 177.5306 99 S 4.2814 8.6424 119.4359 58.0549 63.9676 173.7033 100 P 4.2081 0.0000 0.0000 66.0629 30.9266 178.9132 101 A 4.1071 8.0343 118.9859 55.1234 18.4075 179.8002 102 G 3.5202 8.0310 103.8542 47.8059 0.0000 175.8184 103 R 3.8955 8.5592 121.2894 59.1220 30.0826 178.5330 104 A 4.0044 8.2507 120.8219 54.9812 18.3806 179.0665 105 E 3.9495 8.4935 118.1745 59.3481 29.4632 178.7535 106 L 3.9398 7.6531 118.8931 58.3317 42.3367 178.3807 107 E 4.1645 8.1719 118.0639 59.6256 29.2637 179.4507 108 A 4.1456 8.5345 119.6937 54.5271 18.7156 179.0702 109 G 3.7817 8.2910 103.0871 45.7011 0.0000 175.9268 110 L 4.2224 7.8692 121.8122 57.9618 41.7566 178.8412 111 A 3.9793 8.1564 119.7661 55.4796 18.2237 179.4246 112 A 3.7777 7.8267 118.1134 55.1515 18.5083 179.4659 113 A 3.6633 7.6614 119.2728 55.2198 18.3626 180.1047 114 R 3.9240 8.1308 116.5978 59.3343 30.1670 178.9600 115 E 3.8801 8.1359 119.0508 59.2208 29.6226 178.5738 116 I 3.5491 8.1227 120.2554 64.6396 36.6632 177.8383 117 N 4.5271 8.2816 117.7937 56.7263 38.5631 177.0921 118 R 4.0292 8.0309 116.7529 59.2113 29.8825 178.6646 119 Q 4.0738 8.2947 118.5997 58.6322 28.5137 178.0272 120 A 4.0505 7.8615 120.7570 55.3472 18.7757 179.0547 121 L 4.3275 7.7141 113.9384 55.1810 41.8808 178.5237 122 A 4.0175 7.5518 121.3006 54.8531 18.3757 176.9814 123 P 4.3551 0.0000 0.0000 64.0012 31.6283 176.1037 124 L 4.9554 7.6112 118.4044 52.2344 44.6575 177.1820 125 S 4.4217 8.7168 117.1878 58.0037 64.6546 175.5253 126 L 3.9534 8.4681 122.4247 58.1347 41.2781 179.9013 127 Q 4.0763 7.9983 117.6096 58.7972 28.7930 178.0953 128 E 4.0173 7.9444 119.0855 59.2253 29.3499 179.2946 129 Q 3.9899 8.3494 118.4320 59.0905 28.8469 178.6775 130 E 3.9559 7.7823 118.3935 59.8204 29.4479 179.5996 131 T 3.8367 7.8659 115.4805 66.6249 68.5438 176.4405 132 L 3.9169 8.2664 122.5082 58.1660 42.1684 178.8179 133 R 4.0258 8.8374 119.4163 59.3085 29.7015 178.8050 134 G 3.5189 7.9003 104.5116 47.7956 0.0000 175.1455 135 L 4.1551 8.0760 122.6170 57.6205 41.7360 179.9238 136 L 3.9882 8.4287 118.7559 57.6413 41.3265 179.0907 137 A 4.1569 8.0701 120.7662 55.2815 17.9892 179.0777 138 R 4.3424 7.5289 112.8713 56.9926 30.5818 177.5739 139 L 4.5938 7.8620 118.1481 54.2943 42.3991 176.3158 140 I 3.8825 7.2520 124.2861 61.6198 36.9949 175.7472 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 *7 Y 8.24 4.50 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.66 4.53 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 9 L 9.32 3.98 0.00 1.58 1.56 0.63 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.14 4.86 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 11 D 7.74 4.63 0.00 2.80 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 12 Q 8.24 4.24 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 13 I 8.59 3.86 1.89 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 1.58 0.97 0.93 0.00 0.00 14 G 8.11 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 0.00 0.00 0.00 15 F 8.24 4.47 0.00 3.02 3.23 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 16 I 7.69 3.49 2.00 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 1.46 0.86 0.87 0.00 0.00 17 L 8.38 3.97 0.00 1.82 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.98 3.92 0.00 1.96 2.14 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 Q 8.03 3.88 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 20 A 7.97 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.27 4.27 0.00 3.03 2.95 0.00 0.00 7.26 6.93 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 22 Q 8.37 4.01 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 23 R 8.18 3.84 0.00 1.88 2.12 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 24 Y 8.27 3.93 0.00 3.17 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 25 A 8.40 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.93 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.82 0.00 1.54 1.55 0.90 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 28 F 8.23 3.56 0.00 2.72 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.01 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.12 4.46 0.00 2.79 2.82 0.00 0.00 6.90 7.81 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 31 G 7.31 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.20 3.19 0.57 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 0.86 0.83 0.79 0.00 0.00 33 G 8.20 3.87 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 0.00 0.00 0.00 34 N 7.27 4.79 0.00 3.12 2.86 0.00 0.00 6.88 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.06 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 36 L 8.02 4.89 0.00 1.99 1.85 1.23 0.77 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 37 T 8.57 4.25 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 38 P 0.00 3.16 0.00 1.97 1.81 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.45 0.00 39 T 7.72 3.93 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 1.18 0.00 0.00 40 Q 7.85 4.02 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 41 W 8.54 4.30 0.00 3.70 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.32 3.86 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 43 A 8.22 3.87 1.34 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 44 L 7.68 3.75 0.00 1.87 1.54 0.91 0.85 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 45 V 7.60 3.19 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 0.84 0.00 0.00 -0.08 0.00 0.00 46 R 8.04 3.81 0.00 1.99 1.97 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 47 L 7.51 4.19 0.00 1.83 1.66 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.48 3.55 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 0.00 49 E 7.71 4.12 0.00 2.02 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 2.31 2.47 0.00 50 T 8.20 4.21 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 1.21 0.00 0.00 51 G 8.08 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 0.00 0.00 0.00 0.00 52 P 0.00 4.78 0.00 2.07 2.09 0.00 3.40 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 53 C 8.33 4.72 0.00 3.16 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.72 0.00 2.10 1.94 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 55 Q 9.00 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 56 N 8.06 4.48 0.00 2.84 2.84 0.00 0.00 6.76 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 57 Q 7.98 3.94 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 L 8.14 4.02 0.00 1.60 1.91 0.89 0.94 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 59 G 8.01 3.78 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 0.00 0.00 0.00 60 R 7.90 4.14 0.00 1.91 1.99 0.00 3.15 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 61 L 7.53 4.54 0.00 1.77 1.68 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.26 4.39 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 1.22 0.00 0.00 63 A 8.07 3.38 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 *65 D 7.88 4.42 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.39 3.93 1.34 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 67 A 7.91 3.93 1.32 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 0.00 0.00 68 T 8.36 3.78 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 1.21 0.00 0.00 69 I 8.27 3.68 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 1.56 1.27 0.98 0.00 0.00 70 K 7.82 4.15 0.00 1.99 2.02 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.33 7.81 71 G 8.06 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 0.00 0.00 0.00 0.00 72 V 7.72 3.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 73 V 7.80 3.60 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 0.96 0.00 0.00 74 E 8.17 3.99 0.00 2.22 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 2.33 2.47 0.00 75 R 7.83 3.93 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 76 L 8.46 4.02 0.00 2.07 1.74 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.14 4.26 0.00 2.99 2.80 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 78 K 7.99 3.92 0.00 1.93 2.06 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 79 R 7.63 4.40 0.00 1.87 1.98 0.00 3.32 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 80 G 8.25 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.23 4.73 0.00 1.72 1.72 0.98 1.16 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 82 I 7.72 5.24 1.94 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 0.54 0.90 0.00 0.00 83 Q 9.20 4.65 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 84 R 8.51 5.34 0.00 1.69 1.86 0.00 3.24 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 85 S 8.68 4.72 0.00 3.87 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 86 A 8.64 4.45 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 87 D 9.33 4.48 0.00 2.69 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 88 P 0.00 4.40 0.00 2.21 2.16 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 89 D 7.93 4.67 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.67 4.39 0.00 2.72 2.49 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 0.00 0.00 0.00 0.00 91 G 8.57 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 92 R 8.14 4.02 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 R 8.29 4.73 0.00 1.87 1.78 0.00 3.05 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 94 L 8.42 5.19 0.00 1.52 1.54 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.16 4.94 0.00 1.77 1.52 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.84 4.87 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 0.92 0.00 0.00 0.92 0.00 0.00 97 S 8.75 4.96 0.00 3.89 3.61 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 98 L 8.36 4.63 0.00 1.53 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.64 4.28 0.00 3.93 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 0.00 100 P 0.00 4.21 0.00 2.15 2.12 0.00 3.60 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 2.12 2.17 0.00 101 A 8.03 4.11 1.33 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 0.00 102 G 8.03 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.56 3.90 0.00 1.88 2.14 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 104 A 8.25 4.00 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 0.00 105 E 8.49 3.95 0.00 2.28 2.23 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 2.45 2.58 0.00 106 L 7.65 3.94 0.00 1.70 1.86 0.42 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.17 4.16 0.00 2.23 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 0.00 2.55 2.50 0.00 108 A 8.53 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.29 3.78 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 0.00 0.00 0.00 110 L 7.87 4.22 0.00 1.77 1.84 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.16 3.98 1.30 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 0.00 0.00 112 A 7.83 3.78 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 0.00 113 A 7.66 3.66 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 0.00 114 R 8.13 3.92 0.00 2.10 2.01 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 115 E 8.14 3.88 0.00 2.04 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 2.23 2.31 0.00 116 I 8.12 3.55 1.86 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 1.24 0.23 0.66 0.00 0.00 117 N 8.28 4.53 0.00 3.02 3.07 0.00 0.00 7.04 7.40 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 0.00 118 R 8.03 4.03 0.00 2.02 2.07 0.00 3.12 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 119 Q 8.29 4.07 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 120 A 7.86 4.05 1.60 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 0.00 121 L 7.71 4.33 0.00 1.76 1.73 0.95 0.71 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 0.00 122 A 7.55 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.36 0.00 2.05 2.12 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 124 L 7.61 4.96 0.00 1.83 1.54 0.92 0.69 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 0.00 125 S 8.72 4.42 0.00 4.07 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 0.00 126 L 8.47 3.95 0.00 1.71 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.00 4.08 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 128 E 7.94 4.02 0.00 2.28 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 2.33 2.35 0.00 129 Q 8.35 3.99 0.00 2.26 2.17 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 2.39 2.63 0.00 130 E 7.78 3.96 0.00 2.21 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 0.00 2.34 2.58 0.00 131 T 7.87 3.84 4.39 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 1.21 0.00 0.00 132 L 8.27 3.92 0.00 1.72 1.86 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.84 4.03 0.00 2.08 1.92 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 134 G 7.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.08 4.16 0.00 1.86 1.75 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.43 3.99 0.00 1.85 1.69 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.07 4.16 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 0.00 138 R 7.53 4.34 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 139 L 7.86 4.59 0.00 1.67 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.25 3.88 2.11 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.32 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.