NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3030 8.2027 121.7292 55.7107 29.8384 175.0345 3 N 4.0926 9.1458 125.1876 56.4475 39.1574 174.4184 4 L 4.1518 8.7752 119.0748 57.8871 42.8944 178.2570 5 L 4.4044 7.4443 118.1333 55.2750 41.6662 178.9552 *7 N 4.5788 8.3368 117.5426 53.3807 40.6819 176.8908 8 L 3.9024 8.3340 119.4074 58.0392 42.0844 178.4949 9 A 3.5260 7.9385 120.8281 55.3031 18.1217 179.5240 10 A 3.8596 7.7945 118.6282 55.2231 18.2606 179.7717 11 S 4.1822 8.0622 111.7478 60.6475 63.2181 175.6348 12 L 4.5307 7.4477 120.4023 53.8874 41.8284 177.0638 13 G 4.0129 7.7837 107.1411 46.0938 0.0000 174.1868 14 R 4.4443 7.4560 119.2313 55.1994 29.4212 177.3275 *16 P 3.8788 0.0000 0.0000 63.1191 31.9703 176.1046 17 F 4.7504 8.0316 118.8637 57.5934 39.6646 174.8561 18 V 4.3042 8.4789 122.8390 61.1716 32.9975 175.2457 19 A 4.2243 7.9320 129.4861 50.3615 22.0467 177.0341 20 D 4.1153 9.0930 123.4831 55.1402 37.6737 178.2897 *22 Q 4.1538 9.2764 115.5602 54.7423 31.0243 175.7891 23 G 3.8119 8.4649 106.5413 45.1486 0.0000 173.6759 24 V 4.1279 8.2350 120.8783 62.6513 32.7173 174.7036 25 Y 4.9318 9.0876 125.2606 56.6518 40.6677 175.0761 26 R 4.9277 8.4813 120.0447 54.7071 33.7229 174.4577 27 L 4.6514 8.9105 124.3713 53.0365 44.9727 175.6545 28 T 4.9121 8.4436 119.8244 61.9482 70.1989 174.0980 29 I 4.3438 8.6135 127.8305 60.4881 39.5462 174.3102 30 D 4.0789 8.8384 121.0596 56.5997 40.1742 173.7636 *32 H 4.4421 7.7311 115.0279 55.1655 29.7774 171.7923 33 L 4.5721 8.5158 126.8759 54.7916 42.9122 175.9105 34 V 4.3130 9.1670 126.8177 61.3714 33.8923 174.1272 35 M 4.8001 8.9775 129.0408 54.7393 33.7095 175.6473 36 L 5.1117 9.1153 122.8400 53.0146 44.9991 175.5367 37 A 4.9112 8.9719 126.8140 49.2721 21.5697 173.2589 38 P 4.8152 0.0000 0.0000 63.2770 32.4435 176.0400 39 H 4.6715 9.2665 124.1135 55.0452 33.2355 174.0890 40 G 4.1316 8.2618 117.5636 47.1071 0.0000 173.6839 41 S 4.5376 8.8355 120.0250 58.0366 63.4883 172.7263 42 E 5.2277 8.5067 121.4499 54.7128 33.1505 174.3627 43 L 4.9536 9.0986 123.7067 53.3249 44.9045 175.0811 44 V 4.8595 8.7280 126.5377 61.1694 34.0562 174.1163 45 L 5.0792 8.9861 128.5092 53.8635 43.5700 175.9685 46 R 5.0965 9.0155 121.5072 54.8709 34.9240 174.3440 47 T 4.8243 8.8982 119.6788 60.9279 71.6548 171.7208 48 P 4.7625 0.0000 0.0000 62.7378 32.1282 176.0190 49 I 4.5207 8.5756 125.2169 59.5187 39.3198 175.1648 50 D 4.5818 8.7436 126.8117 53.9315 41.8510 177.0625 51 A 4.6735 8.1212 126.1871 49.1713 19.2407 173.8863 52 P 4.2708 0.0000 0.0000 65.5186 31.8766 177.9256 53 M 4.2817 7.8860 114.3383 56.2135 32.5620 176.8736 54 L 4.1313 8.3630 122.8654 57.4026 42.4152 177.1088 55 R 4.9407 7.5769 112.5387 54.3468 32.3998 173.6198 56 E 4.4064 9.1569 123.0994 55.2214 31.3453 176.9586 57 G 3.8538 8.3884 117.3975 47.1683 0.0000 175.2140 58 N 4.5426 9.0293 122.3867 53.6921 39.3375 174.4818 59 N 4.5024 8.1960 117.3391 52.2987 38.4552 174.7239 60 V 3.9741 8.1868 124.2374 62.5245 32.3597 175.9989 61 N 4.5346 9.2422 126.1114 53.0309 38.5462 175.7455 62 V 3.5762 8.1350 127.9496 66.1128 31.8945 177.3817 63 T 3.8461 8.0095 115.0623 66.7549 68.2545 176.0500 64 L 3.9278 8.0539 121.5676 57.9557 42.0797 178.7288 65 L 3.9169 7.9515 120.3226 58.1438 41.9778 178.8028 66 R 3.8234 8.5157 118.9856 59.4645 29.9980 178.3944 67 S 4.3076 7.8393 114.1079 60.9624 62.3907 176.1331 68 L 4.0300 8.3076 122.0794 58.1448 41.3222 179.4938 69 M 3.9358 8.2833 118.7576 58.1065 31.3515 178.7852 70 Q 3.8952 8.2592 118.6845 59.0633 28.8641 178.8926 71 Q 3.9420 8.0889 118.7704 58.7208 28.4989 178.4922 72 A 2.0000 7.1566 120.8708 54.1524 18.5684 179.1838 73 L 3.7975 7.4590 118.4281 58.1344 41.9555 178.9897 74 A 4.0208 7.5585 119.8718 54.4286 18.6351 178.7382 75 W 4.6639 7.9882 113.2210 57.4545 28.4911 178.2858 76 A 4.2430 7.6089 122.0873 55.4893 17.8571 179.4723 77 K 4.1462 8.1806 115.7729 58.8627 32.3157 178.1156 78 R 4.4474 8.1502 115.5754 56.1983 31.6002 175.6985 79 Y 4.7098 8.2122 115.0874 55.5148 40.9676 173.7535 80 P 4.6760 0.0000 0.0000 63.5171 32.3282 176.3242 81 Q 4.5559 8.0355 118.2203 56.7910 29.5882 175.7848 82 T 4.8504 9.3912 118.4825 61.7822 72.0937 172.6777 83 L 5.0641 8.7372 127.9298 54.2132 43.4986 175.7005 84 V 4.6761 8.9190 118.3244 60.0183 36.9710 173.6471 85 L 5.1896 8.4037 121.1695 53.3921 43.9459 177.1741 86 D 4.7908 8.7382 123.8657 52.5767 41.8163 176.3553 87 D 4.4555 8.5910 117.1890 57.3001 41.0452 176.7980 88 C 4.3626 8.4837 115.5353 59.0549 28.2681 173.7640 89 G 3.9213 7.9511 107.6038 46.6465 0.0000 173.7365 90 Q 4.6227 7.9556 117.3703 53.2616 31.0933 175.0075 91 L 4.6452 8.1748 123.1138 55.5230 43.6539 175.8261 92 V 4.8491 8.7406 124.3451 61.3277 35.5879 173.2698 93 L 4.8730 8.8599 130.2473 54.2576 43.1664 175.0746 94 E 5.4201 9.3889 125.8280 54.6649 33.7147 175.1464 95 A 4.8380 8.8601 122.8819 50.7074 22.7776 175.2533 96 R 4.7978 8.7912 122.1555 54.7240 31.8351 175.6871 97 L 4.7484 8.9982 125.0535 52.7013 44.7029 176.4250 98 R 4.5367 8.5378 123.0991 55.6650 30.1222 177.6263 99 L 4.1015 8.6691 124.2424 57.5958 41.8664 179.6614 100 Q 4.0830 8.1742 116.6041 58.1327 28.6749 176.7579 101 E 4.5861 8.0178 113.8942 55.4746 30.9766 175.0848 102 L 4.5134 7.5916 121.5255 53.2685 43.4117 175.0746 103 D 5.0908 8.1698 124.3856 51.2978 42.5459 176.7994 104 T 3.8551 8.3766 114.6120 66.8778 68.1556 176.0836 105 H 4.1752 8.3890 119.9464 59.4860 29.8340 177.3285 106 G 3.4894 8.8293 107.7046 47.4803 0.0000 175.3999 107 L 3.9174 8.0245 122.7405 57.9902 42.0789 178.8308 108 Q 3.9449 8.2141 119.5800 59.2522 28.7562 178.0260 109 E 3.8738 8.0041 118.5495 59.5740 29.5820 179.3555 110 V 3.7084 7.6019 116.9463 65.7249 31.8129 177.8891 111 I 3.8863 7.8320 119.7731 64.2830 36.9369 178.6451 112 N 4.0189 8.1729 114.5881 54.1772 38.4597 176.5675 *114 Q 4.1202 7.9919 123.0349 56.1903 30.9481 177.3595 115 L 3.8851 7.8233 117.4867 57.3881 41.3766 179.2709 116 A 3.9501 7.9906 120.8386 55.2876 18.2924 179.7621 117 L 3.5930 7.5888 116.9069 57.5880 41.5902 179.4450 118 L 3.8508 7.8636 119.0690 57.9838 41.3529 179.5572 119 E 4.0708 8.0376 117.0427 59.2396 29.3514 178.5610 120 H 4.3601 7.6122 118.0604 58.8166 30.2009 176.9191 121 L 4.1786 8.0198 120.8937 57.6112 41.6284 179.1464 122 I 3.6796 8.0324 120.1340 64.1562 36.8639 176.6671 123 P 4.2358 0.0000 0.0000 65.5002 31.2119 177.9448 124 Q 4.2947 8.0368 114.9682 56.8888 28.7487 176.3590 125 L 4.8270 7.5338 120.3490 53.9035 42.7267 176.0174 126 T 4.3165 8.1917 105.5972 61.1517 70.8594 171.3160 127 P 4.3811 0.0000 0.0000 61.7366 30.6868 175.8085 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 Q 8.20 4.30 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 3 N 9.15 4.09 0.00 2.78 2.85 0.00 0.00 7.27 6.89 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 4 L 8.78 4.15 0.00 1.71 1.67 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.44 4.40 0.00 1.35 1.37 0.06 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *7 N 8.34 4.58 0.00 2.92 2.88 0.00 0.00 6.64 6.74 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 8 L 8.33 3.90 0.00 1.88 1.87 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.94 3.53 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.79 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.06 4.18 0.00 4.05 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 12 L 7.45 4.53 0.00 1.77 1.79 1.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.78 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 14 R 7.46 4.44 0.00 1.79 1.08 0.00 3.39 0.00 0.00 3.55 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 *16 P 0.00 3.88 0.00 2.19 2.01 0.00 3.72 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 1.87 1.96 0.00 17 F 8.03 4.75 0.00 3.22 3.12 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 0.00 0.00 0.00 0.00 18 V 8.48 4.30 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 0.79 0.00 0.00 1.00 0.00 0.00 19 A 7.93 4.22 0.40 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 20 D 9.09 4.12 0.00 2.75 2.47 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 *22 Q 9.28 4.15 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 23 G 8.46 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 24 V 8.23 4.13 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 0.97 0.00 0.00 0.94 0.00 0.00 25 Y 9.09 4.93 0.00 2.88 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 26 R 8.48 4.93 0.00 1.62 1.78 0.00 3.13 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 27 L 8.91 4.65 0.00 1.40 1.30 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.44 4.91 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 1.18 0.00 0.00 29 I 8.61 4.34 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.90 0.00 0.00 30 D 8.84 4.08 0.00 2.76 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 *32 H 7.73 4.44 0.00 3.30 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.52 4.57 0.00 1.63 1.57 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.17 4.31 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 0.98 0.00 0.00 0.90 0.00 0.00 35 M 8.98 4.80 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 36 L 9.12 5.11 0.00 1.68 1.59 0.91 0.87 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 37 A 8.97 4.91 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 38 P 0.00 4.82 0.00 1.99 2.06 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 39 H 9.27 4.67 0.00 3.17 3.14 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.26 4.13 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 0.00 0.00 0.00 41 S 8.84 4.54 0.00 4.03 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 42 E 8.51 5.23 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 2.24 2.24 0.00 43 L 9.10 4.95 0.00 1.70 1.50 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.73 4.86 2.11 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 1.05 0.00 0.00 0.96 0.00 0.00 45 L 8.99 5.08 0.00 1.64 1.55 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 R 9.02 5.10 0.00 1.70 1.76 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 47 T 8.90 4.82 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 1.27 0.00 0.00 48 P 0.00 4.76 0.00 1.94 1.99 0.00 3.63 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 2.12 0.00 49 I 8.58 4.52 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.92 0.00 0.00 50 D 8.74 4.58 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 51 A 8.12 4.67 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 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.27 0.00 2.05 2.16 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 53 M 7.89 4.28 0.00 2.01 2.11 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 2.60 2.47 0.00 54 L 8.36 4.13 0.00 1.73 1.80 0.92 0.69 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 55 R 7.58 4.94 0.00 1.93 1.83 0.00 3.07 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 56 E 9.16 4.41 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 57 G 8.39 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 0.00 0.00 0.00 58 N 9.03 4.54 0.00 2.72 2.87 0.00 0.00 6.82 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 59 N 8.20 4.50 0.00 2.87 2.76 0.00 0.00 6.47 7.22 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 60 V 8.19 3.97 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 0.75 0.00 0.00 0.93 0.00 0.00 61 N 9.24 4.53 0.00 2.83 2.74 0.00 0.00 6.51 8.16 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 62 V 8.13 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 63 T 8.01 3.85 4.38 0.00 0.00 0.00 0.00 0.00 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 64 L 8.05 3.93 0.00 1.79 1.82 0.92 0.32 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 65 L 7.95 3.92 0.00 1.98 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.52 3.82 0.00 1.91 2.02 0.00 3.13 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 1.60 1.61 0.00 67 S 7.84 4.31 0.00 3.94 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 68 L 8.31 4.03 0.00 1.82 1.72 0.94 0.89 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 69 M 8.28 3.94 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 70 Q 8.26 3.90 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 71 Q 8.09 3.94 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 72 A 7.16 2.00 0.74 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 73 L 7.46 3.80 0.00 1.63 1.68 0.86 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.56 4.02 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 75 W 7.99 4.66 0.00 3.34 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.61 4.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.15 0.00 1.80 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 78 R 8.15 4.45 0.00 1.95 1.77 0.00 3.18 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 1.53 1.67 0.00 79 Y 8.21 4.71 0.00 3.03 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 80 P 0.00 4.68 0.00 2.22 2.20 0.00 3.85 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 1.99 1.99 0.00 81 Q 8.04 4.56 0.00 1.74 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.61 0.00 82 T 9.39 4.85 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 1.26 0.00 0.00 83 L 8.74 5.06 0.00 1.84 1.61 1.07 0.98 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 84 V 8.92 4.68 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 0.70 0.00 0.00 1.08 0.00 0.00 85 L 8.40 5.19 0.00 1.50 1.56 0.92 1.08 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 86 D 8.74 4.79 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.59 4.46 0.00 2.67 2.77 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 88 C 8.48 4.36 0.00 3.09 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 89 G 7.95 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 90 Q 7.96 4.62 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 91 L 8.17 4.65 0.00 1.79 1.55 0.99 0.79 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 92 V 8.74 4.85 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 0.98 0.00 0.00 0.94 0.00 0.00 93 L 8.86 4.87 0.00 1.81 1.50 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.39 5.42 0.00 1.94 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 2.23 2.25 0.00 95 A 8.86 4.84 1.21 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 96 R 8.79 4.80 0.00 1.72 2.04 0.00 3.19 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 L 9.00 4.75 0.00 1.63 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.54 4.54 0.00 1.88 1.88 0.00 3.14 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 99 L 8.67 4.10 0.00 1.82 1.73 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.17 4.08 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 101 E 8.02 4.59 0.00 1.95 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 2.23 2.20 0.00 102 L 7.59 4.51 0.00 1.78 1.56 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.17 5.09 0.00 2.83 2.77 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 0.00 104 T 8.38 3.86 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 0.00 105 H 8.39 4.18 0.00 3.17 3.64 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.83 3.49 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 0.00 0.00 0.00 107 L 8.02 3.92 0.00 1.76 1.84 0.90 0.51 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 0.00 108 Q 8.21 3.94 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 109 E 8.00 3.87 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 110 V 7.60 3.71 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 0.96 0.00 0.00 111 I 7.83 3.89 1.98 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 1.49 0.60 0.88 0.00 0.00 112 N 8.17 4.02 0.00 2.87 2.81 0.00 0.00 6.67 7.33 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 *114 Q 7.99 4.12 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 115 L 7.82 3.89 0.00 1.72 1.66 0.91 0.72 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 0.00 116 A 7.99 3.95 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 0.00 117 L 7.59 3.59 0.00 1.38 1.07 -0.52 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.86 3.85 0.00 1.58 1.44 0.79 0.73 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 0.00 119 E 8.04 4.07 0.00 2.09 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 2.37 2.43 0.00 120 H 7.61 4.36 0.00 2.99 3.43 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.02 4.18 0.00 1.69 1.70 0.93 1.29 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 0.00 122 I 8.03 3.68 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.93 0.00 0.00 123 P 0.00 4.24 0.00 1.99 2.11 0.00 3.64 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 2.09 2.18 0.00 124 Q 8.04 4.29 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 125 L 7.53 4.83 0.00 1.57 1.62 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.19 4.32 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 0.00 127 P 0.00 4.38 0.00 2.09 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.