NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.7345 8.3033 117.3631 54.9526 30.6913 175.4444 0 H 4.4443 7.5809 116.5040 57.3971 29.3840 176.1813 *35 L 3.9948 8.2329 119.6319 55.3724 44.3644 179.6035 36 V 3.7802 7.6227 118.5240 66.2395 31.4279 180.1995 37 S 4.3792 7.9804 115.0183 61.0882 62.9652 176.5497 38 L 4.0354 8.6771 123.2842 57.4023 41.3865 178.9232 39 E 3.4424 8.7614 119.8607 58.9550 29.5092 178.5325 40 Q 3.9449 8.3145 119.9400 59.3053 28.9203 178.0865 41 E 3.9411 7.9405 117.9157 59.5448 29.6375 179.0532 42 V 3.7202 7.4421 116.5650 66.3638 31.7582 177.5638 43 Q 4.2726 8.1340 118.9492 59.0270 28.4065 178.2144 44 E 3.9201 8.2415 117.3372 57.0805 29.2059 178.1305 *46 Y 4.4248 7.8849 122.6750 57.5828 40.6276 177.2689 47 S 4.3897 7.9332 116.0587 60.5983 62.7734 176.5564 48 Q 3.8543 7.6230 121.4179 58.9034 28.4347 178.5231 49 I 3.3541 7.3648 120.1082 64.5474 36.9370 178.3141 50 Q 3.7146 7.5062 118.5608 58.8925 28.3835 178.6374 51 N 4.2624 8.1925 117.6648 56.4364 38.4686 177.5385 52 Q 3.9439 7.7614 119.1882 58.8621 28.7709 178.6292 53 L 3.9504 7.9690 120.1619 57.7987 41.6173 179.3378 54 Q 3.9159 8.3059 119.8002 59.2013 28.9803 178.3981 55 R 3.8871 7.7572 119.4452 59.1817 29.8575 178.6295 56 R 3.8477 8.0752 117.2746 59.3258 30.3046 178.5139 57 A 4.1392 8.1378 120.4639 55.3455 18.1266 179.4015 58 D 4.3284 8.0358 116.4796 57.4963 41.2868 178.7535 59 L 4.1637 8.0146 119.1122 57.0745 41.5099 179.5029 60 I 3.6992 7.4910 120.3496 64.0045 37.1024 176.3210 61 P 4.2314 0.0000 0.0000 65.6456 31.0218 178.1681 62 N 4.2878 8.0789 115.2121 56.4830 38.9403 176.2332 63 L 3.9930 7.7539 121.5383 58.3980 41.9102 179.0730 64 V 3.5963 7.7210 116.4236 66.0667 31.5212 177.2491 65 E 4.1156 7.9726 116.8501 59.9960 29.2963 179.2960 66 T 4.1371 8.1604 115.5750 66.4934 68.4372 177.7715 67 V 4.2369 8.1422 118.9925 63.1754 31.2509 177.9325 *69 G 3.6120 8.0407 107.3988 44.6203 0.0000 174.1265 70 Y 4.4083 7.1563 114.7672 58.2395 40.1660 176.4397 71 A 4.3781 7.9604 122.3337 50.4690 19.6121 176.5457 72 A 3.9298 7.7681 125.0388 54.6539 19.0777 178.7628 73 H 4.5442 7.9263 110.0483 56.3287 29.3450 174.9260 74 E 4.1806 7.9472 121.3075 55.5414 29.8591 176.4999 *76 E 4.1998 8.7919 124.6572 56.1918 31.6102 177.5662 77 I 3.7106 7.6511 117.7197 64.0004 37.9371 177.6501 78 L 4.0154 7.7990 119.8622 57.6481 41.4308 178.9990 79 E 3.9187 8.1487 118.8136 59.3554 29.5860 178.5280 80 E 4.0222 8.5005 118.8657 59.3941 29.4966 179.4995 81 I 3.6753 7.8625 119.5218 64.3191 37.2956 178.2263 82 A 3.9984 8.1601 121.6982 55.4307 17.9993 179.2301 83 N 4.2427 8.4206 113.7954 56.6396 38.6785 177.1003 84 A 4.1826 7.6882 120.6524 54.5728 18.9030 179.2539 85 R 4.0319 8.1623 117.3033 59.4846 30.0439 179.7863 86 A 4.2310 7.7319 118.2597 52.3856 18.1225 178.9342 *88 L 4.1855 7.8988 124.2887 56.7887 43.9285 178.9478 89 I 3.6846 8.3058 118.5080 64.2361 36.9885 177.2475 90 G 3.7734 8.2279 106.1156 45.5513 0.0000 173.3322 91 A 4.1215 7.3267 123.7549 51.8612 19.3912 177.1190 *93 T 4.1796 7.9774 108.5810 61.0301 71.0624 173.0579 94 P 4.7680 0.0000 0.0000 65.3540 31.2718 178.9274 95 Q 4.4379 8.6092 118.3213 58.6469 28.6502 178.8609 96 E 3.9422 8.0796 119.0795 59.5534 29.4018 179.6763 97 S 4.2176 8.3560 115.0548 61.1557 62.9388 176.6348 98 A 3.4218 7.7506 123.5761 54.8942 18.0545 179.1819 99 Q 3.8366 8.1021 118.1768 59.5315 29.0618 178.7520 100 A 4.0066 8.1220 121.5542 55.2477 18.3252 179.1482 101 D 4.3217 8.3364 116.4202 57.2545 41.2643 178.3462 102 A 4.0076 8.1813 121.6122 54.8981 18.3772 179.4262 103 E 3.9108 8.2473 117.2778 59.3836 29.4923 179.2722 104 L 3.9571 8.0225 120.2630 58.3911 42.1338 179.1984 105 S 4.1450 8.3155 115.2849 61.6830 62.7562 176.6935 106 S 4.0650 8.3025 115.6259 61.3608 62.1449 176.1096 107 A 4.0955 8.1897 123.4811 54.8565 18.0934 179.6772 108 L 3.9916 8.3948 118.2401 58.0781 41.7839 179.7875 109 S 4.1735 8.3319 115.2883 61.7727 62.7857 177.0643 110 R 4.0106 8.1504 120.7737 58.8915 29.6680 178.8105 111 L 4.0094 8.1379 120.3884 58.1646 41.9013 178.8304 112 L 4.1039 7.8932 118.8725 57.9791 42.1450 178.5539 113 A 4.1609 7.9647 120.2820 55.3107 18.3268 179.4598 114 I 3.6937 7.8868 118.1271 64.7567 37.1328 178.4140 115 A 4.0768 8.5247 121.6307 55.2093 17.8670 179.2869 116 E 3.9060 7.8489 116.3983 59.6334 29.5886 178.6000 117 N 4.6006 8.2391 114.5091 53.5463 39.4606 175.1298 118 Y 4.5655 7.7950 119.2599 54.8151 38.3233 174.1311 119 P 4.3047 0.0000 0.0000 65.2851 32.0637 178.0040 120 N 4.3501 8.0406 114.7736 56.1073 38.9450 176.8440 121 L 2.8075 7.0207 115.4712 55.2489 41.1966 178.1199 *123 A 4.2873 7.9187 120.3288 51.0404 20.5190 178.0518 124 D 4.3927 7.5602 115.7220 54.5615 42.2763 177.0066 125 A 4.0379 8.7465 128.6334 55.2165 18.4260 179.0518 126 N 4.2997 8.2831 115.3393 56.6298 38.9471 176.7701 127 F 4.1703 8.3688 121.2191 61.4185 39.5775 177.0637 128 R 3.8878 8.0330 116.4829 59.2022 30.1288 178.4463 129 Q 4.1313 8.2096 119.4142 59.0191 28.9109 178.7556 130 L 4.2218 7.8836 118.1523 55.2411 41.5819 178.7864 *132 D 4.5016 8.0643 120.5578 54.5407 43.0228 177.9090 133 E 3.9508 8.4687 118.8601 59.3282 29.3555 179.4481 134 L 3.9448 8.2070 119.1037 57.7280 41.6517 179.3604 135 A 4.0772 8.0066 120.3517 55.1141 18.3384 179.6506 136 G 3.5833 8.2343 104.4739 48.1436 0.0000 176.0068 137 T 3.8711 8.0216 112.2252 64.5515 68.7528 176.3280 138 E 3.9587 8.1605 122.2501 59.0452 29.2428 178.5451 139 N 4.3486 8.3951 116.6790 56.1294 38.4309 177.4693 140 R 3.8907 7.9653 120.3241 59.4613 30.1559 178.5316 141 I 3.5588 8.1474 119.8623 64.1190 36.8681 178.1579 142 A 4.0116 8.1632 121.7106 55.1992 18.2672 179.8122 143 V 3.5082 7.4639 115.7355 66.2791 31.6255 178.2011 144 A 4.0373 8.2569 120.5205 54.8094 18.0119 179.6744 145 R 3.8931 8.2274 117.8759 59.5890 30.2351 178.8232 146 R 3.9996 7.8483 117.9137 59.4672 30.1109 178.7523 147 D 4.4107 8.2759 118.6183 57.4376 40.8099 178.2778 148 Y 4.0846 8.3422 120.0727 61.0198 38.7089 177.9844 149 N 4.6569 8.5523 116.1952 55.9382 38.6384 176.9014 150 E 4.0832 8.1376 120.1179 59.3213 29.8934 178.4062 151 A 4.1469 7.6520 119.3345 54.4455 20.0088 178.6754 152 V 3.5659 7.6117 118.2720 63.5108 27.7255 175.2243 *155 Y 4.5091 7.5316 124.2858 57.4293 41.2879 176.3365 156 N 4.0593 8.5922 117.2133 56.7597 39.0163 177.7173 157 T 3.7900 7.9045 112.9797 66.5425 68.8351 175.5225 158 A 3.9728 7.7598 123.0947 54.8954 18.5558 177.6755 159 I 3.7370 6.9777 108.0275 60.4132 38.6258 175.5206 *172 G 3.5603 8.4361 107.4457 45.0716 0.0000 172.9134 173 F 4.8687 7.7977 118.6204 56.0793 39.2076 174.7249 174 E 4.7273 8.7006 125.3912 54.0135 31.5112 176.2253 175 E 4.7181 8.5477 120.5161 55.6054 29.8762 176.3281 *177 Q 4.0575 8.2083 116.4549 56.3112 29.8041 175.0127 178 Y 4.5253 8.2066 118.2738 57.6801 38.6405 176.1874 179 F 4.4936 9.7450 126.4716 58.1997 38.4316 174.1659 180 E 4.4907 7.8967 122.7094 55.0749 31.7901 175.8650 181 A 4.5653 8.1103 124.5525 50.3963 20.8775 175.7001 *183 P 4.1856 0.0000 0.0000 63.3195 31.6476 176.4088 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 H 8.30 4.73 0.00 2.85 3.12 0.00 7.15 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.58 4.44 0.00 3.24 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 L 8.23 3.99 0.00 0.96 0.24 0.52 0.74 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 36 V 7.62 3.78 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 0.88 0.00 0.00 0.93 0.00 0.00 37 S 7.98 4.38 0.00 4.10 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 38 L 8.68 4.04 0.00 1.86 1.93 0.91 0.84 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 39 E 8.76 3.44 0.00 2.19 2.16 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 2.19 2.05 0.00 40 Q 8.31 3.94 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 41 E 7.94 3.94 0.00 2.16 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 2.36 2.48 0.00 42 V 7.44 3.72 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 0.70 0.00 0.00 0.77 0.00 0.00 43 Q 8.13 4.27 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 44 E 8.24 3.92 0.00 2.08 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 2.34 2.46 0.00 *46 Y 7.88 4.42 0.00 3.17 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 47 S 7.93 4.39 0.00 4.05 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 48 Q 7.62 3.85 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 49 I 7.36 3.35 1.18 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.25 -0.03 0.00 0.00 50 Q 7.51 3.71 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 51 N 8.19 4.26 0.00 2.80 2.80 0.00 0.00 7.04 8.06 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 52 Q 7.76 3.94 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 53 L 7.97 3.95 0.00 1.76 1.70 0.99 0.83 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 54 Q 8.31 3.92 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 55 R 7.76 3.89 0.00 1.91 2.02 0.00 3.18 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 56 R 8.08 3.85 0.00 2.04 1.98 0.00 3.22 0.00 0.00 3.23 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 57 A 8.14 4.14 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 58 D 8.04 4.33 0.00 2.83 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 59 L 8.01 4.16 0.00 1.83 1.70 0.90 0.80 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 60 I 7.49 3.70 2.01 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 1.69 0.85 0.92 0.00 0.00 61 P 0.00 4.23 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 62 N 8.08 4.29 0.00 2.76 2.95 0.00 0.00 6.82 6.66 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 63 L 7.75 3.99 0.00 1.86 1.88 1.02 0.81 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 64 V 7.72 3.60 2.21 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 0.89 0.00 0.00 1.00 0.00 0.00 65 E 7.97 4.12 0.00 2.54 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 2.35 2.24 0.00 66 T 8.16 4.14 4.55 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 1.50 0.00 0.00 67 V 8.14 4.24 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 0.99 0.00 0.00 1.05 0.00 0.00 *69 G 8.04 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 0.00 0.00 0.00 70 Y 7.16 4.41 0.00 2.64 2.86 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 0.00 0.00 0.00 71 A 7.96 4.38 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.77 3.93 1.14 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 0.00 0.00 73 H 7.93 4.54 0.00 3.23 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.95 4.18 0.00 2.09 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 2.27 2.36 0.00 *76 E 8.79 4.20 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 2.48 2.32 0.00 77 I 7.65 3.71 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.09 1.01 0.00 0.00 78 L 7.80 4.02 0.00 1.69 1.70 0.89 1.22 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 79 E 8.15 3.92 0.00 2.03 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 0.00 2.38 2.41 0.00 80 E 8.50 4.02 0.00 2.21 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 2.34 2.53 0.00 81 I 7.86 3.68 2.03 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 1.48 0.81 0.93 0.00 0.00 82 A 8.16 4.00 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 83 N 8.42 4.24 0.00 2.88 2.92 0.00 0.00 7.08 7.28 0.00 0.00 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 A 7.69 4.18 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 85 R 8.16 4.03 0.00 1.90 2.11 0.00 3.11 0.00 0.00 3.17 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 86 A 7.73 4.23 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 *88 L 7.90 4.19 0.00 2.03 1.91 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.31 3.68 2.02 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 1.50 0.92 0.91 0.00 0.00 90 G 8.23 3.77 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 0.00 0.00 0.00 91 A 7.33 4.12 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 *93 T 7.98 4.18 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 1.22 0.00 0.00 94 P 0.00 4.77 0.00 2.25 2.25 0.00 4.05 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.39 0.00 95 Q 8.61 4.44 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 96 E 8.08 3.94 0.00 2.22 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 2.33 2.36 0.00 97 S 8.36 4.22 0.00 4.30 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 98 A 7.75 3.42 0.39 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 99 Q 8.10 3.84 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 100 A 8.12 4.01 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 0.00 101 D 8.34 4.32 0.00 3.05 2.86 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 0.00 0.00 0.00 102 A 8.18 4.01 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 0.00 103 E 8.25 3.91 0.00 2.21 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 2.46 0.00 104 L 8.02 3.96 0.00 1.78 1.84 0.93 0.84 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 0.00 105 S 8.32 4.15 0.00 3.91 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 0.00 106 S 8.30 4.06 0.00 3.96 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 0.00 107 A 8.19 4.10 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 0.00 108 L 8.39 3.99 0.00 1.85 1.73 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.33 4.17 0.00 4.01 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 0.00 110 R 8.15 4.01 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 111 L 8.14 4.01 0.00 1.95 1.96 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.89 4.10 0.00 1.91 1.86 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.96 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 0.00 114 I 7.89 3.69 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 1.13 0.00 0.00 115 A 8.52 4.08 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 0.00 116 E 7.85 3.91 0.00 2.07 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 2.55 2.53 0.00 117 N 8.24 4.60 0.00 2.34 2.38 0.00 0.00 6.79 7.13 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 0.00 118 Y 7.80 4.57 0.00 2.94 2.75 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 0.00 119 P 0.00 4.30 0.00 2.01 2.08 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 120 N 8.04 4.35 0.00 2.67 2.85 0.00 0.00 6.84 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 0.00 121 L 7.02 2.81 0.00 1.22 1.47 0.27 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *123 A 7.92 4.29 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 0.00 124 D 7.56 4.39 0.00 2.74 2.71 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 0.00 125 A 8.75 4.04 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 0.00 126 N 8.28 4.30 0.00 2.83 3.11 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.37 4.17 0.00 3.05 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 0.00 128 R 8.03 3.89 0.00 1.84 1.96 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 129 Q 8.21 4.13 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 130 L 7.88 4.22 0.00 1.79 1.57 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *132 D 8.06 4.50 0.00 2.89 2.71 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 0.00 133 E 8.47 3.95 0.00 2.06 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 2.52 0.00 134 L 8.21 3.94 0.00 1.61 1.68 0.90 1.09 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 0.00 135 A 8.01 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 137 T 8.02 3.87 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 1.25 0.00 0.00 138 E 8.16 3.96 0.00 2.13 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 0.00 2.32 2.41 0.00 139 N 8.40 4.35 0.00 2.91 2.85 0.00 0.00 6.67 7.21 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 0.00 140 R 7.97 3.89 0.00 2.01 2.08 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 141 I 8.15 3.56 2.03 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 1.33 0.47 0.91 0.00 0.00 142 A 8.16 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.51 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 1.01 0.00 0.00 0.93 0.00 0.00 144 A 8.26 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.23 3.89 0.00 1.93 2.32 0.00 3.46 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 146 R 7.85 4.00 0.00 2.02 2.00 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 147 D 8.28 4.41 0.00 2.76 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 0.00 148 Y 8.34 4.08 0.00 3.16 3.27 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 0.00 149 N 8.55 4.66 0.00 2.94 3.02 0.00 0.00 7.07 7.27 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 0.00 150 E 8.14 4.08 0.00 2.08 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 2.34 2.34 0.00 151 A 7.65 4.15 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 0.00 152 V 7.61 3.57 1.95 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 0.11 0.00 0.00 0.02 0.00 0.00 *155 Y 7.53 4.51 0.00 3.09 3.14 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 0.00 156 N 8.59 4.06 0.00 2.81 2.83 0.00 0.00 7.16 6.60 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 0.00 157 T 7.90 3.79 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 0.00 158 A 7.76 3.97 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 0.00 159 I 6.98 3.74 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.48 0.20 0.00 0.00 *172 G 8.44 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.80 4.87 0.00 3.12 3.11 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 0.00 174 E 8.70 4.73 0.00 2.00 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 2.26 2.32 0.00 175 E 8.55 4.72 0.00 1.96 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 2.29 2.33 0.00 *177 Q 8.21 4.06 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 178 Y 8.21 4.53 0.00 3.21 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 0.00 179 F 9.75 4.49 0.00 3.15 3.29 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 0.00 180 E 7.90 4.49 0.00 2.13 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 2.52 2.30 0.00 181 A 8.11 4.57 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 *183 P 0.00 4.19 0.00 2.21 2.09 0.00 3.80 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 1.88 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.