NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1972 8.1744 110.9376 61.4983 69.9446 172.9173 2 D 4.4748 8.5437 124.6177 51.8618 42.4684 173.5099 3 L 4.8276 8.4693 127.7239 53.9795 42.7877 177.8151 4 S 4.1213 8.4622 117.2128 61.6216 62.5671 176.5744 5 A 4.0403 7.9650 123.8486 55.0993 17.9673 179.3829 6 Q 4.0646 8.1525 116.1142 58.9272 28.7097 178.9991 7 K 3.9912 8.5170 119.7700 59.4988 31.9834 179.2458 8 R 3.8833 7.7690 118.9777 59.5142 29.9190 178.6084 9 L 4.0262 8.1390 118.5695 57.6876 41.5945 179.2819 10 A 4.0632 8.8185 120.9464 55.1950 18.3629 179.5890 11 A 4.0494 8.3718 119.5196 55.1385 18.2603 179.4549 12 D 4.3067 7.8791 117.2085 57.4409 41.1386 178.8816 13 V 3.7144 7.9837 119.0101 64.3676 31.6724 177.5101 14 L 4.2422 8.3124 117.2074 53.6666 42.8452 175.7776 15 D 4.3479 7.6174 118.1945 54.6034 39.8853 172.3263 16 V 4.5002 8.2803 117.0093 61.0982 35.6672 173.9534 17 G 3.7553 8.5185 112.7434 45.0617 0.0000 174.6955 18 K 3.8079 8.9523 123.2027 59.8345 32.1395 178.3039 19 N 4.5022 8.1529 111.8859 54.7806 38.3758 175.1601 20 R 4.6416 8.5030 116.9883 55.7828 32.2266 175.6350 21 V 4.5393 7.8102 113.3749 60.1469 32.9891 175.2766 22 W 4.7207 9.6849 135.0000 55.5867 33.2077 174.1170 23 F 5.2034 7.8050 125.0612 55.2457 41.1327 174.7431 24 N 3.1400 8.0950 122.8559 52.6037 39.0842 174.2320 25 P 4.2036 0.0000 0.0000 65.0198 31.6505 176.7818 26 E 4.5558 8.3307 116.4107 56.2528 29.4669 176.3299 27 R 4.6900 7.9994 117.6572 55.2739 32.0329 177.4937 28 Q 3.9796 8.5246 119.6028 59.0760 28.4102 178.6251 29 G 3.6485 7.9589 104.6778 47.9779 0.0000 174.8554 30 D 4.4751 7.9391 121.1965 57.1471 40.9420 178.8903 31 I 3.4966 7.9182 120.2815 64.2084 36.7688 178.3585 32 A 3.9714 8.2665 121.0600 54.5866 18.2391 178.4345 33 D 4.7322 7.5789 114.7697 53.5799 41.4048 176.4638 34 A 4.0320 7.5262 123.5145 52.5297 18.4244 176.8751 35 I 4.0965 8.6824 123.4724 63.7212 38.3603 177.2742 36 T 4.4492 8.0584 110.6008 60.3881 71.8331 175.7820 37 R 3.9418 8.2704 119.1928 59.1720 30.0317 178.7383 38 E 3.9804 8.1671 118.7863 59.4871 29.6411 178.4769 39 D 4.3699 8.0833 118.7980 57.2718 40.8737 179.0004 40 V 3.6205 7.4713 118.8644 65.8730 31.4707 178.3150 41 R 3.9523 8.5493 118.2955 59.0761 29.8376 178.5718 42 E 3.9016 8.1368 119.0150 59.4741 29.7750 178.9923 43 L 4.1061 7.7510 118.2746 57.3509 41.4628 179.9742 44 V 3.8818 7.5258 119.8149 65.6186 31.3443 177.7537 45 D 4.3706 8.0680 117.4997 57.4683 40.7652 178.4705 46 E 4.1405 8.6536 118.1709 57.7539 29.4882 178.2464 47 G 4.0050 8.2067 106.7705 44.8674 0.0000 174.2064 48 A 4.3420 8.2698 122.5528 54.0106 19.3815 177.7165 49 I 5.2058 7.9234 116.4831 59.9841 39.9677 175.3474 50 Q 4.7919 9.7580 124.8470 54.2668 33.9728 173.5036 51 A 5.1880 8.3756 120.9016 49.9315 21.0534 176.3726 52 K 4.1224 9.4147 125.2148 56.4228 33.0270 176.6504 53 D 4.6275 8.5764 125.1384 53.8089 41.7092 176.0073 54 K 4.4214 8.1507 120.4995 55.2959 34.2079 176.6322 55 K 4.2257 8.3738 122.3769 56.3737 32.9632 176.5201 56 G 4.0900 8.1741 110.8466 43.8246 0.0000 172.6441 57 N 4.3266 8.8413 122.7813 53.6920 39.1286 174.9468 58 S 4.3356 8.5461 118.8585 58.7571 63.8049 174.7979 59 R 4.6310 8.5060 122.5276 55.9670 30.3527 178.5571 60 G 3.5796 7.8874 107.4597 48.2424 0.0000 176.3763 61 R 3.9958 8.0668 120.5202 58.2811 29.9228 179.1056 62 A 3.9268 7.7606 120.3048 55.2983 18.6588 179.4469 63 R 3.8635 8.3895 116.9700 59.7774 30.2794 179.2009 64 E 4.0238 8.1221 117.6087 59.1543 29.3875 179.4631 65 R 3.9291 7.5258 118.6626 59.4646 30.1072 178.3479 66 Q 4.0472 8.3092 118.0470 58.9637 28.5762 179.3955 67 K 3.9750 8.0782 119.2641 59.3921 32.1924 179.2662 68 K 3.9794 7.8547 118.3246 59.9453 32.0399 179.5921 69 R 4.7511 8.4340 119.0146 58.8351 29.7753 178.9872 70 A 4.0888 8.1632 119.8883 55.0044 18.4429 178.1316 71 Y 4.3910 8.0935 115.8095 57.9731 39.0620 176.0726 72 G 3.7765 8.6264 107.4715 46.2164 0.0000 173.1250 73 H 4.8541 8.6074 117.4558 54.7823 30.7187 174.2913 74 Q 3.8669 8.6767 115.9129 57.2576 25.5741 174.5220 75 K 4.6591 7.9378 112.6307 56.0308 33.9834 177.3655 76 G 3.8008 8.1353 107.1381 44.6115 0.0000 174.5927 77 A 4.1741 8.4355 118.8660 51.9140 19.4927 178.3276 *78 G 3.9420 8.1639 107.0175 45.5586 0.0000 173.4931 79 S 4.5578 8.6700 116.9924 59.1222 64.1226 174.7986 80 R 4.1791 7.3230 119.8753 55.7694 30.3718 176.0898 81 K 4.3479 8.6875 122.2321 56.9380 34.4210 176.4562 82 G 3.9470 7.7376 106.0979 43.7484 0.0000 172.8489 83 K 4.1422 8.2171 120.2058 55.5722 33.3088 177.5879 84 A 4.0812 8.8088 124.0766 55.4256 18.0789 180.2477 85 G 3.7334 8.0964 101.0776 46.3523 0.0000 174.6838 86 A 4.3086 7.6586 122.2806 54.6206 19.0598 179.4430 87 R 4.2390 7.8342 115.9253 57.7419 30.4197 177.0519 88 Q 4.2714 7.4208 119.8816 53.3949 31.5183 172.7580 89 N 4.3762 8.8614 124.9287 53.3979 39.8310 174.8638 90 S 4.0968 8.7190 123.8499 61.6734 63.2427 176.0274 91 K 3.9010 8.2298 123.7533 58.8503 31.7872 178.0521 92 E 4.1053 8.5232 119.2801 59.5282 29.6545 178.3796 93 D 4.3895 8.5687 118.4200 56.9109 41.1100 178.0740 94 W 4.1488 8.6608 129.6104 60.4208 30.6535 177.7419 95 E 3.7061 8.4822 118.6556 59.3510 29.0006 179.2476 96 S 3.9695 8.0112 112.9299 61.4882 62.5375 176.4096 97 R 3.7872 7.8820 120.5276 59.3451 29.8552 179.0560 98 I 3.2376 7.2222 118.5010 63.7396 37.6580 178.1942 99 R 3.8311 7.5499 118.7562 58.9578 30.0168 178.7365 100 A 3.9939 7.7593 120.2497 55.2194 18.3548 179.6430 101 Q 3.9706 8.0931 116.3899 58.6172 28.7969 178.6678 102 R 4.1396 7.7908 119.1415 58.8137 30.2568 179.0893 103 T 3.8748 8.3022 116.2815 66.6365 68.4774 176.0104 104 K 3.7582 7.8870 120.9568 60.1690 32.2084 178.3591 105 L 4.1062 8.0394 118.2178 58.0946 41.4887 179.7860 106 R 4.0011 8.1912 118.4775 59.0302 29.8695 178.5818 107 E 3.9905 8.2037 118.6790 59.4067 29.7379 178.9656 108 L 3.9500 8.0284 118.8981 57.6771 41.5786 179.8622 109 R 4.0842 7.7724 119.6530 59.0418 29.9081 178.3577 110 D 4.2876 7.4687 117.0432 57.1719 40.9068 177.3589 111 E 3.9925 8.1923 118.4183 57.1716 29.6927 177.0400 112 G 4.0114 8.1497 106.5277 46.3675 0.0000 174.3867 113 T 3.7203 7.3411 114.3757 66.8638 68.6212 173.2441 114 L 4.4337 8.1768 119.2726 53.8100 43.1207 177.3406 115 S 4.3833 8.4671 118.6483 57.8984 65.3927 175.4131 116 S 4.3501 8.6639 117.9437 61.8331 62.0484 176.8555 117 S 4.2706 8.0700 118.4348 61.3378 62.7283 176.1707 118 Q 4.1942 7.9505 120.8541 58.5011 28.5692 177.6482 119 Y 4.1373 8.7296 121.0967 60.8163 38.8115 177.9095 120 R 3.6355 8.0425 119.3111 59.5850 29.9101 177.4458 121 D 4.4383 7.7778 116.2470 57.7005 41.1084 178.8798 122 L 4.1760 7.9929 118.9583 57.9886 41.6173 178.4178 123 Y 3.8978 8.2920 119.7169 61.2160 38.7938 178.2433 124 D 4.4515 8.7433 119.6748 57.1646 40.8573 178.9991 125 K 4.0828 7.8438 118.7847 58.7664 32.1356 179.1183 126 A 4.2488 8.5310 121.8190 55.2365 18.1899 179.9139 127 G 3.9046 8.1210 102.6632 46.9473 0.0000 175.0471 128 G 3.9128 7.4083 104.8857 44.0359 0.0000 173.5781 129 G 3.9553 8.4182 108.9174 46.8315 0.0000 175.3216 130 E 3.7245 7.8683 121.1838 57.3614 28.5833 177.5551 131 F 4.9238 7.2745 117.7560 55.4371 40.6856 176.3370 132 D 4.5746 8.6994 126.5369 57.1360 41.0393 176.4833 133 S 4.5319 7.3373 110.6701 56.3575 67.1642 176.2445 134 V 3.4205 8.1095 119.8605 66.1888 31.2193 177.1947 135 A 4.2484 8.0381 121.3445 54.8279 17.9651 179.0227 136 D 4.3199 8.0227 115.6650 57.0093 41.1501 178.2970 137 L 3.3959 7.7924 121.2928 57.7792 41.5199 178.6684 138 E 3.8817 8.4489 118.9131 59.5078 29.2209 179.2105 139 R 3.9661 7.8737 116.8179 59.7505 30.2682 178.0904 140 Y 4.2550 7.6232 117.5675 60.8777 38.9477 177.6319 141 I 3.7459 7.8269 119.8353 64.0734 37.9627 177.5202 142 D 4.5422 8.4595 120.2624 54.7925 39.3323 176.3049 143 A 3.9278 7.7081 126.4428 52.7498 18.8133 177.4103 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 T 8.17 4.20 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 1.19 0.00 0.00 2 D 8.54 4.47 0.00 2.68 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 3 L 8.47 4.83 0.00 1.96 1.83 0.94 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 4 S 8.46 4.12 0.00 4.07 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 5 A 7.97 4.04 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 6 Q 8.15 4.06 0.00 2.48 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 7 K 8.52 3.99 0.00 1.97 1.75 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.48 1.39 7.81 8 R 7.77 3.88 0.00 1.84 2.15 0.00 3.10 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 1.64 1.68 0.00 9 L 8.14 4.03 0.00 1.93 1.73 0.94 0.79 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 10 A 8.82 4.06 1.61 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 0.00 0.00 11 A 8.37 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.88 4.31 0.00 2.73 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 13 V 7.98 3.71 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 0.94 0.00 0.00 0.96 0.00 0.00 14 L 8.31 4.24 0.00 1.74 1.79 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.62 4.35 0.00 2.71 2.67 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 0.00 0.00 0.00 0.00 16 V 8.28 4.50 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 0.79 0.00 0.00 1.01 0.00 0.00 17 G 8.52 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 0.00 0.00 0.00 18 K 8.95 3.81 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.49 7.81 19 N 8.15 4.50 0.00 2.70 2.85 0.00 0.00 6.69 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 20 R 8.50 4.64 0.00 1.85 1.91 0.00 3.11 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 21 V 7.81 4.54 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 0.61 0.00 0.00 0.55 0.00 0.00 22 W 9.68 4.72 0.00 3.33 3.17 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 0.00 23 F 7.81 5.20 0.00 2.58 2.54 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 24 N 8.10 3.14 0.00 2.90 2.58 0.00 0.00 6.89 7.85 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 25 P 0.00 4.20 0.00 2.07 2.06 0.00 3.72 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 26 E 8.33 4.56 0.00 2.10 1.97 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 2.30 2.29 0.00 27 R 8.00 4.69 0.00 1.72 1.76 0.00 3.15 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 28 Q 8.52 3.98 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 29 G 7.96 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 30 D 7.94 4.48 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 31 I 7.92 3.50 1.67 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.10 0.00 0.00 32 A 8.27 3.97 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 33 D 7.58 4.73 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 34 A 7.53 4.03 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 35 I 8.68 4.10 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 1.63 0.91 0.91 0.00 0.00 36 T 8.06 4.45 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 37 R 8.27 3.94 0.00 1.88 2.03 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 38 E 8.17 3.98 0.00 2.07 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 2.38 2.47 0.00 39 D 8.08 4.37 0.00 2.94 2.67 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 0.00 0.00 0.00 0.00 40 V 7.47 3.62 2.25 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 1.08 0.00 0.00 1.02 0.00 0.00 41 R 8.55 3.95 0.00 1.97 1.98 0.00 3.38 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 42 E 8.14 3.90 0.00 2.19 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 0.00 2.49 2.35 0.00 43 L 7.75 4.11 0.00 1.67 1.65 0.79 1.12 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 44 V 7.53 3.88 2.27 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 1.39 0.00 0.00 1.03 0.00 0.00 45 D 8.07 4.37 0.00 2.84 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 46 E 8.65 4.14 0.00 2.06 2.04 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 2.35 2.45 0.00 47 G 8.21 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 0.00 0.00 0.00 48 A 8.27 4.34 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.92 5.21 1.97 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 1.21 1.00 1.22 0.00 0.00 50 Q 9.76 4.79 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 51 A 8.38 5.19 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 K 9.41 4.12 0.00 1.92 1.73 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.44 7.81 53 D 8.58 4.63 0.00 2.69 2.57 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 K 8.15 4.42 0.00 1.85 1.80 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 55 K 8.37 4.23 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 56 G 8.17 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.84 4.33 0.00 2.70 2.79 0.00 0.00 7.20 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 58 S 8.55 4.34 0.00 3.86 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 59 R 8.51 4.63 0.00 1.84 1.91 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 60 G 7.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.00 0.00 1.86 2.01 0.00 3.13 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 62 A 7.76 3.93 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 63 R 8.39 3.86 0.00 1.92 2.01 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 64 E 8.12 4.02 0.00 2.04 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 2.32 2.31 0.00 65 R 7.53 3.93 0.00 1.98 2.10 0.00 3.12 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 1.64 1.89 0.00 66 Q 8.31 4.05 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 67 K 8.08 3.97 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 68 K 7.85 3.98 0.00 2.00 1.97 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.68 7.81 69 R 8.43 4.75 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 70 A 8.16 4.09 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 71 Y 8.09 4.39 0.00 2.92 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 72 G 8.63 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 73 H 8.61 4.85 0.00 3.36 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.68 3.87 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 75 K 7.94 4.66 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.65 7.81 76 G 8.14 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 77 A 8.44 4.17 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 *78 G 8.16 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 79 S 8.67 4.56 0.00 3.93 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 80 R 7.32 4.18 0.00 1.63 1.86 0.00 3.10 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 1.67 1.57 0.00 81 K 8.69 4.35 0.00 1.65 1.77 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.45 7.81 82 G 7.74 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 83 K 8.22 4.14 0.00 1.84 1.69 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 84 A 8.81 4.08 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 85 G 8.10 3.73 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 0.00 0.00 0.00 86 A 7.66 4.31 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 87 R 7.83 4.24 0.00 1.96 2.01 0.00 3.28 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 88 Q 7.42 4.27 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 89 N 8.86 4.38 0.00 2.81 2.72 0.00 0.00 6.91 7.63 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 90 S 8.72 4.10 0.00 4.11 4.12 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 91 K 8.23 3.90 0.00 1.82 2.02 0.00 1.80 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.48 7.81 92 E 8.52 4.11 0.00 2.27 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 0.00 2.33 2.34 0.00 93 D 8.57 4.39 0.00 2.88 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 94 W 8.66 4.15 0.00 3.47 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 95 E 8.48 3.71 0.00 2.18 1.98 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 2.48 2.72 0.00 96 S 8.01 3.97 0.00 3.88 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 97 R 7.88 3.79 0.00 1.83 1.81 0.00 3.32 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 98 I 7.22 3.24 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.86 0.47 0.00 0.00 99 R 7.55 3.83 0.00 1.91 1.89 0.00 3.21 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 1.58 1.63 0.00 100 A 7.76 3.99 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 0.00 101 Q 8.09 3.97 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 102 R 7.79 4.14 0.00 1.90 2.07 0.00 3.07 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 103 T 8.30 3.87 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 1.21 0.00 0.00 104 K 7.89 3.76 0.00 2.02 1.97 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.53 7.81 105 L 8.04 4.11 0.00 2.00 2.04 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.19 4.00 0.00 2.27 2.04 0.00 3.11 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 107 E 8.20 3.99 0.00 2.21 1.97 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 2.33 2.67 0.00 108 L 8.03 3.95 0.00 1.90 1.76 0.93 0.71 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 0.00 109 R 7.77 4.08 0.00 1.75 1.76 0.00 2.61 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 0.00 110 D 7.47 4.29 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 111 E 8.19 3.99 0.00 1.93 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 0.00 2.31 2.24 0.00 112 G 8.15 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 0.00 113 T 7.34 3.72 4.36 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 0.00 0.00 0.00 1.21 0.00 0.00 114 L 8.18 4.43 0.00 1.82 1.69 1.02 0.93 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 0.00 115 S 8.47 4.38 0.00 4.06 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 0.00 116 S 8.66 4.35 0.00 4.09 4.14 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 0.00 0.00 0.00 0.00 117 S 8.07 4.27 0.00 3.93 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 0.00 118 Q 7.95 4.19 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 119 Y 8.73 4.14 0.00 3.05 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 0.00 120 R 8.04 3.64 0.00 2.21 1.96 0.00 3.18 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 121 D 7.78 4.44 0.00 2.89 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 0.00 122 L 7.99 4.18 0.00 1.93 1.71 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.29 3.90 0.00 2.45 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 0.00 124 D 8.74 4.45 0.00 2.75 2.76 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 0.00 125 K 7.84 4.08 0.00 2.08 1.58 0.00 1.71 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.43 1.82 7.81 126 A 8.53 4.25 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 0.00 127 G 8.12 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 0.00 0.00 0.00 128 G 7.41 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 0.00 0.00 0.00 129 G 8.42 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 0.00 0.00 0.00 130 E 7.87 3.72 0.00 1.16 1.12 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 2.13 2.00 0.00 131 F 7.27 4.92 0.00 3.36 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 0.00 132 D 8.70 4.57 0.00 2.70 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 0.00 133 S 7.34 4.53 0.00 3.96 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 0.00 134 V 8.11 3.42 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 1.06 0.00 0.00 0.93 0.00 0.00 135 A 8.04 4.25 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 0.00 136 D 8.02 4.32 0.00 2.84 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 0.00 137 L 7.79 3.40 0.00 1.49 1.65 -0.40 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.45 3.88 0.00 2.16 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 2.29 2.52 0.00 139 R 7.87 3.97 0.00 2.02 2.10 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 140 Y 7.62 4.25 0.00 3.07 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 0.00 141 I 7.83 3.75 1.98 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 1.53 0.83 0.88 0.00 0.00 142 D 8.46 4.54 0.00 2.72 2.64 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 0.00 143 A 7.71 3.93 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 * Residues marked with a * may have inaccurate shift predictions.