NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 F 4.4059 8.3093 119.4399 55.8159 41.3231 175.5449 32 S 3.9705 8.4607 119.1143 58.7229 62.3665 170.2363 33 R 4.5899 7.5729 119.3247 54.0781 32.4105 178.3171 34 S 4.3607 8.3982 114.8075 61.1808 62.9942 176.2533 35 D 4.4423 7.9384 122.1127 56.2876 39.1934 177.8608 36 H 4.6062 8.0919 116.9670 57.9681 28.7152 176.8122 37 L 3.2645 7.3598 119.9638 56.9394 41.7265 178.0371 38 A 4.2417 7.8549 122.5943 55.0093 18.1825 179.5446 39 E 3.8164 7.7907 115.6253 60.9109 29.5768 182.8340 40 H 4.2370 7.8187 116.4392 59.3024 29.4525 176.5353 41 Q 4.2969 7.5598 117.9840 57.0817 28.2490 177.9671 42 R 4.1193 7.3883 119.7711 58.6907 30.2287 177.6516 43 T 4.1076 7.2679 106.8454 63.7499 69.2622 175.2327 44 H 4.5615 7.3389 116.0428 56.4428 29.0620 175.8624 *48 K 4.3032 7.5932 118.4925 56.0338 31.9634 173.4177 49 P 4.1875 0.0000 0.0000 64.8578 31.9832 176.2947 50 Y 4.5840 8.2383 119.4892 57.8644 38.3795 175.8613 51 K 5.1569 8.6350 127.7833 53.5712 34.5509 172.1743 52 C 4.5643 8.5260 122.4292 58.4382 32.3099 172.8759 53 P 4.5025 0.0000 0.0000 64.2007 31.4053 176.0173 54 E 4.4265 8.2756 117.3370 57.3965 31.0208 176.1416 55 C 4.4770 8.2695 110.0037 57.6966 31.0248 174.6280 56 G 3.9402 8.0090 108.4273 44.5413 0.0000 173.5047 57 K 3.9129 8.0730 124.5663 57.5071 33.0147 176.3264 58 S 5.2050 8.3337 125.3390 57.5865 64.2346 170.2183 59 F 4.8982 9.3377 122.5412 56.2700 42.7014 177.2650 60 S 4.3254 9.2845 119.7676 61.1059 62.9178 176.2944 61 D 5.1520 7.9657 122.4082 53.2930 45.0596 180.3410 62 K 3.5598 7.6632 123.3488 59.9568 31.6476 180.1936 63 K 3.9761 7.7876 119.8531 59.8495 32.1217 178.5130 64 D 4.1755 7.8427 118.4444 56.9161 40.6413 178.4454 65 L 3.2255 7.1271 119.8956 58.1501 41.9065 179.0091 66 T 4.0391 7.4199 115.7063 66.1114 68.5496 176.4192 67 R 4.0330 7.7941 119.8129 59.5373 30.0290 178.5913 68 H 4.0862 7.9684 117.9133 59.3878 29.4241 177.2295 69 Q 3.9750 8.3897 120.0457 58.9613 28.4566 179.1252 70 R 4.0414 7.7548 119.3687 59.0296 29.7869 178.7544 71 T 3.9564 7.7994 108.7692 64.0071 68.8792 175.4940 72 H 4.7255 7.8625 118.3257 57.5717 29.8668 176.7613 73 T 4.1640 7.8951 110.2455 62.3604 69.0503 175.8827 74 G 3.8508 8.0723 108.4970 45.1886 0.0000 173.0237 75 E 3.9996 7.8290 120.8669 56.1202 29.9030 177.2832 76 K 4.5872 8.0789 124.7229 53.9757 33.0182 174.0772 77 P 4.0140 0.0000 0.0000 64.2578 31.8560 176.0475 78 Y 4.6880 7.5418 116.4407 56.4983 39.0319 174.5975 79 K 5.0618 8.6100 126.0953 54.6547 34.4919 175.1987 80 C 4.4815 9.2321 128.5031 58.7452 31.9445 172.8132 81 P 4.4060 0.0000 0.0000 64.9005 31.4399 177.1858 82 E 4.1762 8.2250 118.5719 57.8881 29.8144 176.3133 83 C 4.7027 7.8370 108.9192 56.7823 30.9459 174.7196 84 G 3.9457 8.3909 108.7033 45.2586 0.0000 173.7775 85 K 4.0873 7.8533 121.7192 56.6174 33.2945 175.6660 86 S 5.4500 8.3521 122.1658 57.0354 65.5323 173.3395 87 F 4.8376 9.1902 120.7646 55.5979 42.6578 176.4909 88 S 4.3630 9.0622 115.5006 60.5112 63.6877 175.0411 89 Q 4.7369 7.9888 119.0201 52.9929 33.5774 175.7795 90 R 3.2997 7.9387 122.8832 59.4478 30.1214 178.9169 91 A 3.9148 7.7241 119.9419 55.0721 18.4043 179.2138 92 N 4.2606 7.9663 114.7659 56.0454 38.7373 177.2602 93 L 2.6621 7.7262 124.3421 58.3413 42.0083 179.7588 94 R 3.8730 7.8899 120.3641 61.4316 29.0214 180.5010 95 A 4.1428 7.5941 120.5108 55.1657 18.6893 178.8675 96 H 4.1370 7.9364 116.7710 59.5578 29.7947 177.4902 97 Q 3.9911 8.4424 120.0671 58.9927 28.4879 179.0931 98 R 4.1847 7.9785 120.4836 58.3980 29.7886 178.8980 99 T 3.9846 7.5616 109.0690 64.4521 68.9148 176.4850 100 H 4.4329 7.8620 118.4578 59.0575 29.2104 177.3578 101 T 4.1209 7.8018 111.0256 62.6230 68.4413 176.2089 102 G 3.8697 7.9584 108.8641 45.5877 0.0000 173.0605 103 E 4.0039 8.0368 118.9931 56.2556 29.1861 177.0895 104 K 4.5336 8.1169 124.2566 53.6865 32.3957 174.5123 105 P 4.1296 0.0000 0.0000 63.7300 31.8494 175.8720 106 Y 4.7906 7.9252 117.2862 56.1857 39.8530 174.5633 107 A 5.2558 8.7053 126.2425 50.3315 21.8527 175.3948 108 C 4.6001 9.0809 122.6133 58.0904 32.2489 173.0586 109 P 4.4044 0.0000 0.0000 65.0589 31.5213 177.1526 110 E 4.1473 8.3176 119.5783 58.1312 30.1264 176.3498 111 C 4.6719 8.1199 110.2711 57.2549 30.7403 175.2457 112 G 4.1126 8.2204 108.7831 45.4344 0.0000 174.3660 113 K 4.1737 7.5363 118.4397 56.6789 33.1201 176.2051 114 S 5.2810 8.1545 116.8555 56.6625 66.0625 173.1545 115 F 4.9473 9.0620 119.1918 55.6181 42.5111 176.5665 116 S 4.3386 9.1839 116.5064 60.8898 63.5688 174.6053 117 Q 4.6942 7.9700 118.5312 52.7948 32.7378 175.1457 118 L 3.0939 8.0332 122.8375 58.2242 41.9457 179.4539 119 A 3.8791 7.6777 119.7772 55.2196 18.2979 179.2109 120 H 4.2125 7.9577 115.1534 58.7306 28.7246 177.6030 121 L 2.8437 7.6039 121.6631 57.9490 41.7329 179.1106 122 R 3.9535 7.8575 116.8602 59.1078 30.0960 178.6596 123 A 4.1043 7.8630 120.6206 55.2449 18.3066 179.1407 124 H 3.9637 7.9357 116.7518 59.5510 29.9630 177.4973 125 Q 3.9666 8.2647 119.8870 58.8263 28.4888 178.8648 126 R 4.1104 7.7746 118.6401 58.3171 29.9014 178.4326 127 T 4.0027 7.7224 109.1606 63.8854 68.9484 176.0514 128 H 4.5805 7.5639 118.9246 58.6738 29.3713 177.3380 129 T 4.0982 7.8311 109.5080 62.6347 68.9564 175.6506 130 G 3.9153 8.1147 108.4270 45.0478 0.0000 173.4695 131 E 4.0789 7.6916 119.1490 56.7062 29.9713 177.8534 132 K 4.6307 7.9886 121.0882 54.2411 32.9054 174.5306 133 P 4.0873 0.0000 0.0000 63.5691 31.8979 175.8707 134 Y 4.6981 7.8691 116.8835 56.0964 40.4642 174.3582 135 K 5.0728 8.6759 125.9617 54.6404 34.5313 175.3348 136 C 4.4811 9.3054 128.5539 58.9198 31.9396 172.8584 137 P 4.4359 0.0000 0.0000 65.1288 31.5422 177.6816 138 E 4.1758 8.3852 117.4269 58.5572 29.6591 177.0651 139 C 4.6095 8.1335 109.2101 57.1843 30.8846 174.7585 140 G 3.9596 8.2236 108.4421 45.2266 0.0000 173.8309 141 K 4.0613 7.8287 121.7507 56.5908 33.3779 175.5490 142 S 5.2856 8.2261 122.2483 57.1125 65.1813 173.4624 143 F 4.9448 9.2765 121.5590 55.5918 42.5857 176.4926 144 S 4.3708 9.1246 115.9592 60.4252 63.7569 175.2170 145 R 4.7110 7.8672 119.5004 53.3426 34.6342 175.5323 146 E 3.3069 7.8466 123.2015 59.0980 29.6107 178.9107 147 D 4.2452 7.7305 118.7210 56.5590 39.4460 178.1682 148 N 4.2897 7.9349 117.2318 55.4312 38.5255 177.0851 149 L 3.0042 7.4762 121.8619 58.1440 41.9540 178.6533 150 H 4.2222 7.6782 115.2092 59.1098 28.7924 177.6039 151 T 4.0084 7.9792 111.6449 65.0000 68.5257 176.1619 152 H 4.0451 8.1195 121.1595 59.0572 29.8292 177.1916 153 Q 3.9232 8.3340 120.0520 58.9299 28.4995 179.0352 154 R 4.2846 8.0160 120.3992 58.1214 29.8454 178.6689 155 T 3.9843 7.7924 109.2007 64.1274 68.8570 175.8018 156 H 4.6423 7.6473 118.7734 58.3171 29.5208 177.1686 157 T 4.1262 7.8407 110.7036 62.5509 68.7937 176.4397 158 G 3.9468 8.1386 109.0255 44.8710 0.0000 173.3788 159 E 3.9189 8.0154 119.9861 56.9956 29.8652 177.1503 160 K 4.7165 8.1461 124.3315 53.9253 32.6167 174.1473 161 P 4.1322 0.0000 0.0000 64.3111 32.0066 175.9954 162 Y 4.6271 8.1159 117.0445 56.5047 38.9567 174.6511 163 K 5.0210 8.6021 126.0091 54.8210 34.3656 175.2087 164 C 4.5025 8.7030 127.3672 58.7004 32.0400 172.8446 165 P 4.3754 0.0000 0.0000 65.3090 31.4422 177.7398 166 E 4.3964 8.1579 113.2297 56.7843 30.4351 181.6194 167 C 4.7182 8.1640 109.5351 57.2236 31.4169 175.0823 168 G 3.9449 8.3444 110.0274 45.2296 0.0000 173.9669 169 K 4.2745 7.8605 123.8070 55.0246 32.9751 181.3566 170 S 5.2259 8.4008 120.4182 56.8040 64.7695 173.5519 171 F 4.8667 9.2425 120.9514 55.6724 42.7352 176.4082 172 S 4.3930 9.0912 115.5653 60.4824 63.7165 175.1360 173 R 4.5854 7.7103 118.4746 53.0905 34.9777 175.8863 174 R 3.0727 7.3445 121.1429 59.4339 30.0892 178.7615 175 D 4.2142 7.7833 118.0844 56.1470 39.6045 178.2319 176 A 3.8477 7.7072 121.9102 54.7059 18.3697 179.1785 177 L 3.2006 7.6100 118.8118 58.1584 41.9760 178.7241 178 N 4.1880 7.7952 115.1526 56.7020 38.4170 177.5177 179 V 3.6933 7.7238 113.4777 64.3298 31.5751 178.1978 180 H 4.0346 7.7322 117.7758 59.2691 29.1894 177.3749 181 Q 4.0360 8.2103 119.8271 58.6004 28.2737 178.2981 182 R 4.1932 7.4112 116.9266 57.2944 30.4124 177.0184 183 T 4.2231 7.4938 108.1809 62.0575 69.6231 174.6588 184 H 4.5390 7.5744 124.2627 56.1446 28.8407 174.6973 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 31 F 8.31 4.41 0.00 3.10 3.20 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 32 S 8.46 3.97 0.00 4.26 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 33 R 7.57 4.59 0.00 1.82 1.97 0.00 3.19 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 34 S 8.40 4.36 0.00 4.02 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 35 D 7.94 4.44 0.00 2.92 2.94 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 36 H 8.09 4.61 0.00 3.39 3.62 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.36 3.26 0.00 1.42 1.71 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.85 4.24 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 39 E 7.79 3.82 0.00 2.03 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 2.24 2.18 0.00 40 H 7.82 4.24 0.00 3.37 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.56 4.30 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 42 R 7.39 4.12 0.00 1.83 2.00 0.00 3.25 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 43 T 7.27 4.11 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 H 7.34 4.56 0.00 3.34 3.33 0.00 5.69 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 *48 K 7.59 4.30 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 49 P 0.00 4.19 0.00 1.42 1.84 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 50 Y 8.24 4.58 0.00 2.96 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 51 K 8.63 5.16 0.00 1.53 1.57 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.98 7.81 52 C 8.53 4.56 0.00 3.26 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 53 P 0.00 4.50 0.00 2.10 2.11 0.00 3.75 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 2.06 2.12 0.00 54 E 8.28 4.43 0.00 1.79 1.78 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 1.75 2.10 0.00 55 C 8.27 4.48 0.00 3.18 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 56 G 8.01 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 57 K 8.07 3.91 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 1.26 7.81 58 S 8.33 5.21 0.00 3.43 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 59 F 9.34 4.90 0.00 3.00 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 60 S 9.28 4.33 0.00 3.63 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 61 D 7.97 5.15 0.00 2.61 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 62 K 7.66 3.56 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 63 K 7.79 3.98 0.00 1.73 1.76 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 64 D 7.84 4.18 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 3.23 0.00 1.69 1.71 1.05 0.90 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 66 T 7.42 4.04 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 1.18 0.00 0.00 67 R 7.79 4.03 0.00 1.91 1.92 0.00 3.09 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 68 H 7.97 4.09 0.00 2.90 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.39 3.98 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 70 R 7.75 4.04 0.00 1.95 2.12 0.00 3.26 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 71 T 7.80 3.96 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 1.17 0.00 0.00 72 H 7.86 4.73 0.00 3.23 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.90 4.16 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 1.27 0.00 0.00 74 G 8.07 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 75 E 7.83 4.00 0.00 1.94 1.84 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 2.24 2.23 0.00 76 K 8.08 4.59 0.00 1.65 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.55 7.81 77 P 0.00 4.01 0.00 0.68 1.67 0.00 3.60 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 1.58 2.03 0.00 78 Y 7.54 4.69 0.00 3.09 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 79 K 8.61 5.06 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.58 7.81 80 C 9.23 4.48 0.00 3.32 3.05 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 0.00 0.00 0.00 0.00 81 P 0.00 4.41 0.00 2.10 2.12 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 82 E 8.23 4.18 0.00 1.85 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 1.96 2.24 0.00 83 C 7.84 4.70 0.00 3.14 3.03 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 84 G 8.39 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 85 K 7.85 4.09 0.00 1.88 1.79 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.85 1.22 7.81 86 S 8.35 5.45 0.00 3.67 3.83 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 87 F 9.19 4.84 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 88 S 9.06 4.36 0.00 4.03 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 89 Q 7.99 4.74 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 90 R 7.94 3.30 0.00 1.17 1.58 0.00 2.98 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 1.32 0.68 0.00 91 A 7.72 3.91 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 92 N 7.97 4.26 0.00 2.98 2.97 0.00 0.00 6.80 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 93 L 7.73 2.66 0.00 1.68 1.67 0.95 1.02 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 94 R 7.89 3.87 0.00 1.86 1.93 0.00 3.32 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 1.57 1.53 0.00 95 A 7.59 4.14 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 96 H 7.94 4.14 0.00 2.85 3.04 0.00 5.79 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 97 Q 8.44 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 98 R 7.98 4.18 0.00 1.97 2.13 0.00 3.11 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 99 T 7.56 3.98 4.19 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 1.25 0.00 0.00 100 H 7.86 4.43 0.00 3.30 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.80 4.12 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 1.25 0.00 0.00 102 G 7.96 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 0.00 103 E 8.04 4.00 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 2.27 2.30 0.00 104 K 8.12 4.53 0.00 1.63 1.79 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.55 7.81 105 P 0.00 4.13 0.00 1.15 1.78 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 106 Y 7.93 4.79 0.00 3.33 2.99 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 0.00 107 A 8.71 5.26 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 0.00 108 C 9.08 4.60 0.00 3.37 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 0.00 109 P 0.00 4.40 0.00 2.24 2.20 0.00 3.88 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 2.02 1.98 0.00 110 E 8.32 4.15 0.00 2.13 1.80 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 2.26 1.86 0.00 111 C 8.12 4.67 0.00 3.19 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 0.00 112 G 8.22 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 0.00 0.00 0.00 113 K 7.54 4.17 0.00 1.93 1.45 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.46 1.27 7.81 114 S 8.15 5.28 0.00 3.96 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 0.00 115 F 9.06 4.95 0.00 3.13 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 0.00 116 S 9.18 4.34 0.00 4.05 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 0.00 117 Q 7.97 4.69 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 118 L 8.03 3.09 0.00 0.70 1.27 0.60 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.68 3.88 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 0.00 120 H 7.96 4.21 0.00 3.51 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.60 2.84 0.00 1.76 1.70 0.92 1.09 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 0.00 122 R 7.86 3.95 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 123 A 7.86 4.10 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 H 7.94 3.96 0.00 2.81 2.91 0.00 5.80 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 0.00 125 Q 8.26 3.97 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 126 R 7.77 4.11 0.00 1.95 2.13 0.00 3.11 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 127 T 7.72 4.00 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 1.20 0.00 0.00 128 H 7.56 4.58 0.00 3.32 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.83 4.10 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 0.00 130 G 8.11 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 0.00 131 E 7.69 4.08 0.00 1.98 1.85 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 2.31 2.26 0.00 132 K 7.99 4.63 0.00 1.61 1.72 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.57 7.81 133 P 0.00 4.09 0.00 0.85 1.70 0.00 3.64 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 1.82 1.94 0.00 134 Y 7.87 4.70 0.00 3.05 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 0.00 135 K 8.68 5.07 0.00 1.79 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.59 7.81 136 C 9.31 4.48 0.00 3.34 3.08 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 0.00 0.00 0.00 0.00 137 P 0.00 4.44 0.00 2.12 2.13 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 138 E 8.39 4.18 0.00 2.16 1.84 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 2.30 1.86 0.00 139 C 8.13 4.61 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 140 G 8.22 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 0.00 141 K 7.83 4.06 0.00 1.86 1.73 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.56 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.82 1.24 7.81 142 S 8.23 5.29 0.00 3.64 3.82 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 0.00 143 F 9.28 4.94 0.00 3.12 2.99 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 0.00 144 S 9.12 4.37 0.00 4.04 4.04 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 0.00 145 R 7.87 4.71 0.00 1.84 1.97 0.00 3.14 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 146 E 7.85 3.31 0.00 1.16 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 1.93 1.91 0.00 147 D 7.73 4.25 0.00 2.86 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 0.00 148 N 7.93 4.29 0.00 2.87 2.84 0.00 0.00 6.78 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 0.00 149 L 7.48 3.00 0.00 1.72 1.67 0.96 1.04 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 0.00 150 H 7.68 4.22 0.00 3.26 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.98 4.01 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 1.28 0.00 0.00 152 H 8.12 4.05 0.00 2.92 2.96 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.33 3.92 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 154 R 8.02 4.28 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 155 T 7.79 3.98 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 156 H 7.65 4.64 0.00 3.32 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.84 4.13 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 1.22 0.00 0.00 158 G 8.14 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 0.00 159 E 8.02 3.92 0.00 1.92 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 2.28 2.33 0.00 160 K 8.15 4.72 0.00 1.69 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.60 7.81 161 P 0.00 4.13 0.00 1.25 1.84 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 162 Y 8.12 4.63 0.00 3.01 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 0.00 163 K 8.60 5.02 0.00 2.05 1.73 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 0.98 7.81 164 C 8.70 4.50 0.00 3.40 3.02 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 0.00 0.00 0.00 165 P 0.00 4.38 0.00 2.10 2.11 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 166 E 8.16 4.40 0.00 1.98 1.85 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 2.17 1.85 0.00 167 C 8.16 4.72 0.00 3.09 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 0.00 168 G 8.34 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 0.00 169 K 7.86 4.27 0.00 1.46 1.70 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.04 7.81 170 S 8.40 5.23 0.00 3.65 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 0.00 171 F 9.24 4.87 0.00 3.09 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 0.00 172 S 9.09 4.39 0.00 4.04 4.04 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 0.00 173 R 7.71 4.59 0.00 1.77 1.84 0.00 3.14 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 174 R 7.34 3.07 0.00 1.00 1.50 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 175 D 7.78 4.21 0.00 2.83 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 0.00 176 A 7.71 3.85 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 0.00 177 L 7.61 3.20 0.00 1.75 1.73 0.99 0.89 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 0.00 178 N 7.80 4.19 0.00 2.81 2.81 0.00 0.00 7.14 7.20 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 0.00 179 V 7.72 3.69 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 0.82 0.00 0.00 0.87 0.00 0.00 180 H 7.73 4.03 0.00 2.63 2.94 0.00 5.79 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 0.00 181 Q 8.21 4.04 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 182 R 7.41 4.19 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 183 T 7.49 4.22 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 1.17 0.00 0.00 184 H 7.57 4.54 0.00 3.31 3.19 0.00 5.69 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.