NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4715 8.3049 120.3371 55.2811 33.2332 174.6593 2 K 4.3134 8.3884 125.8991 53.7587 34.2378 174.8889 3 Q 3.2576 9.1933 124.3155 58.4123 30.9755 175.6420 4 F 5.3794 7.7510 116.6358 55.6560 42.0159 174.3961 5 E 4.7377 9.1037 124.4094 54.6984 33.3616 173.6731 6 I 5.0698 8.4276 126.7098 59.8509 39.4730 175.3142 7 V 4.5803 8.5987 118.1804 60.1477 35.9123 176.1272 8 I 4.2054 8.3408 121.2122 62.3711 39.1040 176.6733 9 E 4.1900 7.9640 119.6600 54.6402 30.1960 174.3307 10 P 4.3152 0.0000 0.0000 62.7648 31.7913 176.0908 11 I 3.9158 8.2148 122.5847 61.3331 37.3685 175.4390 12 Q 4.4291 8.6746 125.4672 55.2359 29.9726 175.6553 13 T 4.3889 8.6886 113.4638 64.7449 70.1430 176.7234 14 E 3.9094 8.3674 122.8962 58.9772 29.3794 179.3257 15 Q 3.9405 8.1516 116.8331 59.7897 27.9768 178.5881 16 Y 4.0587 7.6123 117.5756 60.6506 38.1950 177.8031 17 R 4.1048 8.1288 119.1625 59.7613 30.3680 178.0701 18 E 3.9666 8.1842 118.1856 59.5181 29.2239 179.1055 19 F 4.0602 8.3904 120.2383 61.2795 39.5272 176.0471 20 T 4.1936 7.9202 105.9976 62.3768 69.3203 174.6993 21 I 4.1114 7.2141 124.0538 60.8598 38.0894 174.5940 22 N 4.8682 8.1326 120.3903 51.6334 39.8492 174.9343 23 E 3.9062 8.5857 115.7323 59.1212 29.2815 177.7188 24 Y 4.1778 8.2175 117.0083 59.4831 38.3641 175.0168 25 Q 4.6219 7.9899 119.4919 54.6555 29.9439 175.5876 26 G 4.1568 8.2477 107.2465 46.0450 0.0000 173.1409 27 A 4.8863 8.2652 121.9791 50.1241 22.8696 175.2241 28 V 4.7460 8.3067 119.7151 60.9862 35.0753 174.7466 29 V 4.2815 8.8038 127.0951 60.9845 34.1357 174.0497 30 V 4.9494 8.4927 127.5384 61.0925 33.6934 174.0454 31 F 4.9941 9.4095 130.9327 56.5933 41.6104 174.1354 32 T 4.6966 7.6320 115.5239 59.6235 71.1366 173.2664 33 G 3.9513 8.5042 113.4620 45.3581 0.0000 172.1213 34 H 5.4585 8.5883 122.1999 53.4441 31.9635 174.1572 35 V 3.7120 8.5201 122.8150 63.4695 32.3272 174.6232 36 R 4.6077 8.5416 128.7369 55.2814 30.8376 175.8329 37 E 3.8282 9.0007 127.0873 58.0317 30.0438 176.1335 38 W 4.9801 8.0938 117.9877 55.0858 31.0731 175.0723 39 T 4.4290 8.8262 121.0973 62.2179 69.3304 174.7172 40 K 3.8827 9.9507 129.1514 57.3987 29.6462 175.4966 41 G 4.0741 8.5237 105.9801 45.0804 0.0000 173.5013 42 V 4.2279 7.8175 120.1250 61.0779 32.5331 175.1996 43 K 4.1003 8.5098 128.1277 56.0723 32.9523 175.7794 44 T 4.4771 7.7939 120.2739 61.7419 71.3393 174.2060 45 E 3.9841 8.6607 126.8043 58.7687 29.9026 176.1597 46 Y 4.7371 6.8431 113.8042 56.6299 41.3157 172.1640 47 L 5.1816 8.4790 118.8255 52.9874 45.5588 175.8685 48 E 5.2513 8.4506 119.8105 54.9811 33.5144 174.5076 49 Y 5.5609 9.0801 121.3441 56.6008 41.4957 174.4343 50 E 5.2990 9.4999 118.7603 55.8364 33.8932 173.3649 51 A 4.6097 8.5525 119.5086 51.3377 22.4271 176.3946 52 Y 4.7411 8.4037 121.9613 56.1617 37.5430 176.2129 53 I 3.6770 8.3227 126.1009 63.7159 37.3521 175.5340 54 P 4.1417 0.0000 0.0000 66.3578 30.8875 177.9497 55 M 3.7807 7.1164 116.9038 57.7079 32.1064 177.7999 56 A 3.8280 8.2220 121.3763 55.3299 18.6515 179.4972 57 E 3.8876 8.3885 117.3213 59.3553 29.4686 179.8164 58 K 3.8840 7.7477 118.3333 59.4371 32.1475 179.5726 59 K 3.9074 8.0639 118.7340 59.2702 31.9893 179.3914 60 L 3.8124 7.9893 119.1958 57.7575 41.5389 179.4933 61 A 2.5800 7.5084 120.4260 54.5623 18.2174 179.4791 62 Q 3.8436 7.8515 118.1941 59.3079 29.0395 178.5383 63 I 3.9141 7.6598 121.1508 64.1007 36.9847 178.6153 64 G 3.7125 7.5526 106.6086 47.9810 0.0000 175.5611 65 D 4.4093 8.1095 121.3271 57.0385 40.7603 178.8118 66 E 4.0562 8.3595 119.2632 59.4102 29.5246 179.3456 67 I 4.0820 8.1623 119.9913 64.6152 36.7486 178.0186 68 N 4.4146 8.6416 118.0272 56.3665 38.4344 176.5523 69 E 3.9375 7.4814 118.8377 59.0709 29.9931 178.4408 70 K 3.8175 7.7017 116.8923 57.2490 33.0740 177.4424 71 W 5.0282 8.1208 119.0085 53.4895 29.9859 171.8740 72 P 4.6905 0.0000 0.0000 63.3504 31.5338 177.5668 73 G 4.0717 9.0151 108.9731 45.4455 0.0000 173.8141 74 T 5.0551 7.0759 107.9293 60.5566 70.5620 174.4307 75 I 4.8067 7.9669 119.2992 59.9723 40.9902 174.7207 76 T 5.2503 8.8012 122.0749 61.9482 72.1040 173.3190 77 S 4.3964 9.3782 119.0061 56.7092 66.4694 172.7213 78 I 5.2360 8.6243 126.5647 59.5918 41.4648 174.6595 79 V 5.4343 8.3945 124.4720 59.4430 35.1738 173.6006 80 H 5.0385 8.5994 122.2198 54.4600 32.9855 172.0247 81 R 5.0688 8.9061 126.6320 55.3991 31.6448 174.7927 82 I 4.7330 8.2235 116.8777 59.8089 41.4714 174.5340 83 G 3.9283 9.2143 109.6544 43.6396 0.0000 170.2709 84 P 5.0619 0.0000 0.0000 62.7984 32.1177 175.9528 85 L 4.8961 9.4184 122.9235 53.1223 45.4951 176.3631 86 Q 4.4900 8.8098 121.8447 54.4574 31.0063 175.2618 87 I 3.8976 8.2293 120.7322 63.7082 37.3496 176.9946 88 S 4.1104 9.3324 119.7823 58.7238 61.6545 170.4337 89 D 4.5976 7.8684 120.9766 54.2252 42.0533 175.7587 90 I 4.2712 8.1604 122.3202 60.8988 37.1742 175.7044 91 A 4.2241 8.9765 131.0626 54.0317 19.9928 177.5014 92 V 4.6669 7.2356 113.5765 60.2385 35.1474 173.6970 93 L 5.2646 8.9353 125.3748 53.3293 45.6918 174.9917 94 I 5.1045 8.9147 125.5934 59.4959 40.9006 174.0036 95 A 5.2553 9.1345 129.3320 50.0763 21.7994 175.1430 96 V 5.0292 8.7814 121.8496 61.1005 35.3790 174.4117 97 S 5.3032 8.9319 121.6990 57.0275 66.4623 172.7513 98 S 4.7600 8.9617 114.3016 56.7498 65.3151 173.0594 99 P 4.5952 0.0000 0.0000 64.7380 30.8392 175.9175 100 H 4.8847 8.1188 114.2793 53.2874 32.5436 175.1362 101 R 4.1037 8.5869 117.3987 59.4362 29.3833 178.5689 102 K 3.9743 8.2536 119.0002 59.6717 32.0114 178.3828 103 D 4.1014 8.2922 117.8435 57.4558 40.8499 178.8112 104 A 3.8139 7.3650 120.9145 55.3078 18.3372 179.3805 105 Y 3.9719 7.7237 114.7232 61.2539 38.0433 178.5665 106 R 3.8422 8.1290 119.0023 59.5153 30.0019 179.1028 107 A 2.7613 7.0345 118.8737 54.2393 18.4874 179.0284 108 N 4.3208 7.7775 115.5058 56.9218 38.9887 176.8006 109 E 3.8346 8.2257 120.7458 59.3252 29.6707 178.0042 110 Y 4.1276 8.1509 119.4772 60.6757 38.7454 178.1364 111 A 3.8923 7.8259 121.2632 54.9949 18.6475 179.4368 112 I 3.4156 7.4283 116.6975 64.2255 38.1072 177.8586 113 E 3.9514 7.7993 119.5403 59.2205 29.2648 179.4282 114 R 3.8454 7.7468 118.1604 58.7000 29.8975 179.0535 115 I 3.5894 7.8072 120.1380 64.3336 36.9667 178.4126 116 K 4.0922 7.6686 116.4509 58.1014 31.8860 178.3177 117 E 4.3129 7.3350 118.7645 57.4294 30.2316 176.3884 118 I 4.3958 7.4853 107.5936 59.9682 38.8306 174.9049 119 V 4.1049 7.2299 122.3359 60.6943 32.5432 175.0119 120 P 4.3429 0.0000 0.0000 62.5932 29.0564 174.5075 121 I 4.1061 6.5322 125.8349 59.8497 41.6805 174.3932 122 W 5.5497 9.1347 124.1292 54.9502 33.7587 174.1895 123 K 5.3041 8.9295 121.2269 53.9876 34.9315 174.7179 124 K 4.1382 8.5261 127.1208 55.2695 33.3713 174.8966 125 E 4.3638 8.1508 127.7136 55.0779 30.7926 177.3480 126 I 3.5966 7.9717 127.0943 60.2359 36.3633 173.7229 *132 K 3.8868 8.1386 122.5860 55.5656 32.5227 175.9993 133 W 4.9581 8.4165 124.3555 56.0894 30.7156 175.1973 134 Q 4.7259 8.6106 120.7883 55.2825 31.6828 175.2326 135 G 4.0624 8.9366 109.1409 46.4269 0.0000 172.0857 136 H 4.4610 9.6096 123.6938 56.4255 30.9216 172.8352 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 4.47 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 2 K 8.39 4.31 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 3 Q 9.19 3.26 0.00 1.70 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 4 F 7.75 5.38 0.00 2.91 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 5 E 9.10 4.74 0.00 2.18 1.74 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 2.23 2.31 0.00 6 I 8.43 5.07 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.95 0.00 0.00 7 V 8.60 4.58 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 0.75 0.00 0.00 1.00 0.00 0.00 8 I 8.34 4.21 1.90 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 1.35 0.62 0.95 0.00 0.00 9 E 7.96 4.19 0.00 1.92 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 2.30 2.36 0.00 10 P 0.00 4.32 0.00 2.22 2.05 0.00 3.83 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 2.00 0.00 11 I 8.21 3.92 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.94 0.00 0.00 12 Q 8.67 4.43 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 13 T 8.69 4.39 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 1.28 0.00 0.00 14 E 8.37 3.91 0.00 2.02 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 2.43 0.00 15 Q 8.15 3.94 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.19 1.39 0.00 16 Y 7.61 4.06 0.00 3.14 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 17 R 8.13 4.10 0.00 1.92 2.12 0.00 3.20 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 18 E 8.18 3.97 0.00 2.20 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 2.48 2.46 0.00 19 F 8.39 4.06 0.00 3.01 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 20 T 7.92 4.19 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 1.51 0.00 0.00 21 I 7.21 4.11 1.99 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 1.58 0.82 0.89 0.00 0.00 22 N 8.13 4.87 0.00 2.95 2.89 0.00 0.00 6.00 7.66 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 23 E 8.59 3.91 0.00 1.86 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 1.47 1.78 0.00 24 Y 8.22 4.18 0.00 3.30 3.04 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 25 Q 7.99 4.62 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 26 G 8.25 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 0.00 0.00 0.00 27 A 8.27 4.89 1.13 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 28 V 8.31 4.75 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 0.86 0.00 0.00 0.92 0.00 0.00 29 V 8.80 4.28 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 0.82 0.00 0.00 0.17 0.00 0.00 30 V 8.49 4.95 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 0.84 0.00 0.00 0.95 0.00 0.00 31 F 9.41 4.99 0.00 3.25 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 32 T 7.63 4.70 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 1.09 0.00 0.00 33 G 8.50 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 34 H 8.59 5.46 0.00 2.98 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.52 3.71 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 36 R 8.54 4.61 0.00 1.92 1.85 0.00 3.44 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 37 E 9.00 3.83 0.00 1.88 1.75 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 1.47 1.97 0.00 38 W 8.09 4.98 0.00 3.52 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 39 T 8.83 4.43 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 1.26 0.00 0.00 40 K 9.95 3.88 0.00 1.89 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.45 7.81 41 G 8.52 4.07 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 0.00 0.00 0.00 42 V 7.82 4.23 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 1.02 0.00 0.00 1.00 0.00 0.00 43 K 8.51 4.10 0.00 1.77 1.59 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.07 0.52 7.81 44 T 7.79 4.48 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 1.13 0.00 0.00 45 E 8.66 3.98 0.00 1.91 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 2.26 2.23 0.00 46 Y 6.84 4.74 0.00 3.19 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 47 L 8.48 5.18 0.00 1.57 1.44 0.94 0.81 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 48 E 8.45 5.25 0.00 1.81 1.88 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 2.46 2.23 0.00 49 Y 9.08 5.56 0.00 3.07 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 50 E 9.50 5.30 0.00 2.30 2.26 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 2.67 2.71 0.00 51 A 8.55 4.61 1.13 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 52 Y 8.40 4.74 0.00 3.20 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 53 I 8.32 3.68 1.93 0.00 0.00 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 1.73 0.62 0.92 0.00 0.00 54 P 0.00 4.14 0.00 2.09 2.27 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 55 M 7.12 3.78 0.00 1.59 1.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 56 A 8.22 3.83 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 57 E 8.39 3.89 0.00 1.96 2.02 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 2.33 2.48 0.00 58 K 7.75 3.88 0.00 1.81 1.77 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 K 8.06 3.91 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 60 L 7.99 3.81 0.00 1.73 1.69 0.92 0.85 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 61 A 7.51 2.58 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 62 Q 7.85 3.84 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 63 I 7.66 3.91 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.95 0.00 0.00 64 G 7.55 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 65 D 8.11 4.41 0.00 2.95 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 66 E 8.36 4.06 0.00 2.41 2.13 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 2.38 2.55 0.00 67 I 8.16 4.08 2.23 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.26 1.13 0.00 0.00 68 N 8.64 4.41 0.00 3.03 3.01 0.00 0.00 6.89 8.51 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 69 E 7.48 3.94 0.00 2.26 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 2.27 2.45 0.00 70 K 7.70 3.82 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.75 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.89 1.11 7.81 71 W 8.12 5.03 0.00 3.41 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 72 P 0.00 4.69 0.00 2.19 2.06 0.00 3.35 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 73 G 9.02 4.07 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 0.00 0.00 0.00 74 T 7.08 5.06 4.34 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 1.29 0.00 0.00 75 I 7.97 4.81 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.98 0.00 0.00 76 T 8.80 5.25 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 1.48 0.00 0.00 77 S 9.38 4.40 0.00 3.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 5.24 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.97 0.00 0.00 79 V 8.39 5.43 1.74 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 0.07 0.00 0.00 0.89 0.00 0.00 80 H 8.60 5.04 0.00 3.08 3.00 0.00 5.66 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 81 R 8.91 5.07 0.00 1.75 1.72 0.00 3.24 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 82 I 8.22 4.73 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.96 0.00 0.00 83 G 9.21 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 84 P 0.00 5.06 0.00 1.99 2.28 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 85 L 9.42 4.90 0.00 1.74 1.68 1.11 0.86 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 86 Q 8.81 4.49 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 87 I 8.23 3.90 1.86 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 1.39 0.66 0.91 0.00 0.00 88 S 9.33 4.11 0.00 4.02 4.07 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 89 D 7.87 4.60 0.00 2.84 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 90 I 8.16 4.27 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 0.75 0.00 0.00 91 A 8.98 4.22 0.99 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 92 V 7.24 4.67 1.70 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 0.77 0.00 0.00 0.93 0.00 0.00 93 L 8.94 5.26 0.00 1.47 1.11 0.87 0.77 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 94 I 8.91 5.10 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.93 0.00 0.00 95 A 9.13 5.26 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 96 V 8.78 5.03 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 1.01 0.00 0.00 0.93 0.00 0.00 97 S 8.93 5.30 0.00 3.97 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 98 S 8.96 4.76 0.00 3.85 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 99 P 0.00 4.60 0.00 2.21 2.16 0.00 3.92 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 100 H 8.12 4.88 0.00 3.17 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.59 4.10 0.00 2.15 2.24 0.00 3.20 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 102 K 8.25 3.97 0.00 1.89 2.00 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.64 7.81 103 D 8.29 4.10 0.00 2.77 2.69 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 0.00 104 A 7.36 3.81 1.20 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 0.00 0.00 105 Y 7.72 3.97 0.00 3.26 2.90 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 0.00 106 R 8.13 3.84 0.00 1.29 1.82 0.00 3.38 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 107 A 7.03 2.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.32 0.00 2.88 2.78 0.00 0.00 6.75 7.08 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 0.00 109 E 8.23 3.83 0.00 2.08 1.94 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 2.28 2.26 0.00 110 Y 8.15 4.13 0.00 3.41 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 0.00 111 A 7.83 3.89 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 0.00 112 I 7.43 3.42 1.23 0.00 0.00 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 0.97 0.95 0.63 0.00 0.00 113 E 7.80 3.95 0.00 1.87 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 2.23 2.50 0.00 114 R 7.75 3.85 0.00 1.46 1.73 0.00 3.26 0.00 0.00 2.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.58 0.00 115 I 7.81 3.59 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.86 0.00 0.00 116 K 7.67 4.09 0.00 1.72 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.54 7.81 117 E 7.34 4.31 0.00 2.19 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 2.24 2.27 0.00 118 I 7.49 4.40 1.83 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 1.26 0.77 0.87 0.00 0.00 119 V 7.23 4.10 2.05 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 0.65 0.00 0.00 0.82 0.00 0.00 120 P 0.00 4.34 0.00 2.10 2.28 0.00 3.54 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 1.95 1.99 0.00 121 I 6.53 4.11 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.28 0.74 0.00 0.00 122 W 9.13 5.55 0.00 3.34 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 0.00 123 K 8.93 5.30 0.00 1.22 1.21 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.23 7.81 124 K 8.53 4.14 0.00 0.79 0.92 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.47 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.84 0.48 7.81 125 E 8.15 4.36 0.00 1.80 1.74 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 2.16 2.21 0.00 126 I 7.97 3.60 1.40 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.36 0.55 0.00 0.00 *132 K 8.14 3.89 0.00 1.73 1.77 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.36 7.81 133 W 8.42 4.96 0.00 3.14 3.16 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 0.00 134 Q 8.61 4.73 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 135 G 8.94 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 0.00 0.00 0.00 136 H 9.61 4.46 0.00 3.21 3.39 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.