NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7584 8.2833 118.1282 52.2842 39.4496 174.1438 3 L 3.7464 8.1370 122.4739 57.4854 42.3705 176.6064 4 E 4.0416 9.1965 118.4106 58.9626 30.3832 177.7237 5 K 4.5383 8.0510 117.0097 56.1522 32.6907 175.8860 6 L 4.4616 7.4114 120.8525 52.6063 43.3798 174.9388 7 E 3.8375 8.8824 127.4250 56.6832 29.5232 176.0453 8 V 4.0979 8.0877 126.1295 60.0289 33.2533 175.1370 9 S 4.5924 8.3039 117.3180 56.9969 64.0459 173.6561 10 H 5.1337 8.5727 123.7426 55.4837 29.3430 173.1843 11 D 4.4680 7.6070 120.6496 53.4173 41.6904 176.8171 12 A 3.6531 8.7842 129.6105 55.3048 18.3654 178.1699 13 D 4.9247 8.0974 112.0620 54.1766 41.4169 177.5855 14 S 4.7531 8.5671 114.0653 57.4534 63.4232 172.5396 15 L 4.6899 9.4137 126.3509 53.2948 44.3402 174.9688 16 C 4.5202 8.7331 127.7896 58.8009 32.2138 172.7187 17 V 4.3005 8.5765 127.3395 60.9105 34.0138 174.3613 18 V 4.0794 7.7909 128.6880 62.0503 32.6480 175.1025 19 I 4.3738 8.2439 129.3532 61.3008 37.6505 176.3858 20 E 4.7876 9.6300 123.2361 55.9786 32.9221 175.6450 21 I 4.8722 7.6075 120.2717 59.4997 41.2898 174.4296 22 S 4.8800 8.7583 122.3842 56.9069 64.8919 173.5784 23 K 3.8016 8.7238 123.7442 58.9947 32.0695 176.1807 24 H 4.5454 9.0709 123.3896 55.4502 27.9767 175.3990 25 S 4.5275 8.2700 115.6385 58.2877 63.3359 173.9690 26 N 5.1466 9.0876 122.5184 52.9879 38.8297 173.7229 27 I 4.4953 8.0432 122.0311 60.0403 38.5700 175.5276 28 K 4.1975 8.9436 130.3370 55.5465 32.5039 175.8040 29 Y 4.6691 8.0148 125.6150 57.5573 39.7728 175.4485 30 E 4.7518 8.5601 120.2019 55.4586 31.1735 174.3170 31 L 4.3159 9.2283 130.5402 55.6485 43.1871 175.6344 32 D 4.7763 8.8290 125.5524 52.6544 42.3297 176.6747 33 K 3.8984 9.1586 126.3192 60.0303 32.2585 178.0977 34 E 4.1345 8.3347 116.2545 59.4836 29.7455 178.5744 35 S 4.1350 8.4541 112.7986 59.7589 63.1880 175.4309 36 G 3.8396 8.9144 107.4023 45.6689 0.0000 172.5803 37 A 4.7770 8.3296 122.2715 49.7202 21.2405 178.9766 38 L 4.3438 8.0259 120.3498 54.1791 43.0777 176.4860 *40 V 3.5654 8.0730 119.4774 63.5084 31.4241 175.2534 41 D 4.4552 8.7763 128.4595 55.8416 41.6570 176.6327 42 R 4.4276 7.0518 117.4613 55.9764 32.4735 172.4409 43 V 4.6274 8.2443 122.9953 60.6431 31.8075 175.4674 44 L 4.1154 8.5917 126.7679 55.3914 41.6998 178.0519 45 Y 4.3158 9.0636 122.4091 60.2687 38.0351 176.6865 46 G 3.9531 7.2686 107.1974 43.8836 0.0000 173.9111 47 A 4.4037 8.1480 122.4953 51.3200 17.4834 175.1602 48 Q 4.8220 7.0444 121.7662 54.7795 33.2879 174.4418 49 N 4.7781 8.7048 110.9240 52.5959 39.3521 173.8143 50 Y 2.9740 8.0831 119.0809 58.2409 38.3455 175.8858 51 P 4.3196 0.0000 0.0000 63.3791 31.8577 175.4661 52 A 4.3843 7.2785 117.8148 50.8770 21.9373 175.8291 53 N 4.6690 8.4954 116.5873 54.2915 39.8218 173.6515 54 Y 5.0650 9.2740 123.9788 56.0276 42.1699 174.1431 55 G 4.3839 8.7797 113.6891 46.0295 0.0000 171.7775 56 F 5.3290 8.6850 118.0199 55.9549 42.0059 173.7785 57 V 4.3994 8.2776 120.1789 60.8503 32.0080 174.1196 58 P 4.5653 0.0000 0.0000 62.8608 32.1749 175.4473 59 N 3.1400 8.5733 116.2990 54.0117 36.3124 174.2029 60 T 4.7105 7.2712 109.8265 60.3033 72.0533 172.3356 61 L 4.9979 9.5465 129.0248 53.4610 45.2978 175.6237 62 G 4.4561 8.5326 112.8521 43.7568 0.0000 173.4969 63 S 4.8143 8.5655 114.3214 56.4156 60.2876 172.8546 64 D 4.5710 8.2775 126.3578 53.3786 40.8673 179.2476 65 G 3.9673 8.2905 107.9759 46.1217 0.0000 173.2884 66 D 4.9818 7.5054 118.7681 51.2387 44.1855 173.8157 67 P 5.3795 0.0000 0.0000 61.8312 32.2162 176.7639 68 V 3.7969 8.2588 119.9340 61.9078 32.1098 175.5637 69 D 5.0713 8.8648 125.3450 54.7876 42.2261 175.2375 70 A 4.7265 8.3841 121.0680 50.7411 23.2926 175.1391 71 L 4.9286 8.6187 120.4538 53.0640 44.5323 176.1076 72 V 5.6025 8.2085 122.4331 59.2308 30.9907 173.5972 73 L 4.2079 8.0826 122.3441 54.9902 42.3039 176.5370 74 S 4.6012 8.3056 116.3358 57.9686 65.2833 174.5160 75 D 4.5147 8.6132 119.3472 55.3194 40.9832 176.7804 76 V 4.1802 6.9842 110.7660 59.1349 34.3596 174.4484 77 A 4.5411 7.8840 123.2991 50.3047 20.5381 176.0758 78 F 4.4945 8.4975 122.3630 56.0473 40.2099 175.3743 79 Q 3.7706 8.9754 125.9124 56.2411 29.0161 175.6509 80 A 4.0400 8.5585 127.4310 53.8872 18.5541 176.2350 81 G 4.0777 8.4816 112.2626 45.7975 0.0000 174.5074 82 S 4.4304 8.5505 114.7816 58.1382 64.5897 173.4845 83 V 4.8313 8.0675 119.8324 61.1767 34.0838 174.9472 84 V 4.3255 8.2441 124.5883 60.0619 35.3228 173.7135 85 K 4.7404 8.4994 122.6041 55.7619 33.5235 175.6409 86 A 5.1996 9.0232 127.9723 50.1075 22.9557 174.2886 87 R 5.0775 8.5442 112.4430 54.6278 32.9675 174.8869 88 L 4.4526 9.2581 124.6901 55.0385 41.7987 177.2527 89 V 4.2249 9.6555 122.4002 60.6597 33.7355 176.2370 90 G 3.9072 7.2819 107.5154 47.5338 0.0000 170.9696 91 V 4.6905 7.1734 116.2405 60.9010 35.2468 172.1562 92 L 4.5969 8.8745 126.4967 53.5346 43.4026 174.9349 93 N 4.8222 8.5825 126.2365 52.7044 40.4467 173.6484 *95 E 4.6138 8.5145 120.8833 56.7298 31.6942 174.7067 96 D 3.8145 8.6959 120.5515 51.0813 42.5949 175.1748 97 E 3.5839 5.9607 114.9880 59.7285 29.3031 179.5521 98 S 4.1628 9.3843 115.7755 59.0507 63.5963 175.5607 99 G 4.3654 7.5638 117.0124 46.6002 0.0000 171.7937 *101 D 4.6243 7.2837 124.1481 53.2662 41.1014 174.2671 102 E 4.1553 8.4638 122.3149 55.8809 31.0842 176.6171 103 K 4.3729 8.7248 120.9398 54.2066 35.2501 175.8514 104 L 4.2939 8.2694 126.0729 55.1730 43.1190 176.4768 105 I 4.8286 8.7897 123.3036 59.6933 39.7208 174.7119 106 A 5.0237 8.7086 126.9093 51.1127 23.3958 174.5105 107 L 5.1305 8.2582 118.0642 52.2382 46.1241 175.0482 108 P 4.9003 0.0000 0.0000 61.8932 32.6863 176.6123 109 I 3.7579 8.6594 123.0250 61.4505 37.8965 177.2089 110 D 4.5656 8.9502 124.7858 57.7641 40.3469 179.0841 111 K 3.9238 8.0668 118.4473 59.7358 32.0755 178.3192 112 I 4.2217 8.0544 119.2331 63.0516 37.5861 176.0078 113 D 4.3745 7.3507 119.0085 53.0876 42.3039 172.7668 114 P 4.6941 0.0000 0.0000 63.3343 31.8575 178.3281 115 T 3.9017 7.5862 117.3825 67.0419 68.5719 175.1811 116 H 4.3677 7.6785 117.6545 54.6005 29.7929 176.3727 117 S 4.3801 8.1565 115.2597 60.8732 62.6211 175.3073 118 Y 4.1615 7.9732 117.7398 59.1662 37.3228 176.7778 119 V 3.8651 6.6561 119.6993 62.1960 29.9959 175.2367 120 K 4.2234 8.4878 126.1430 57.6991 32.7802 176.6923 121 D 4.7097 9.4317 116.8273 53.4700 44.7222 176.7209 122 I 3.5796 9.0678 125.5794 63.9823 38.5490 177.4123 123 D 4.4318 7.9584 118.2317 55.9925 39.3042 176.4731 124 D 4.7232 9.0127 119.5566 54.4569 40.6123 175.5749 125 L 4.6666 7.2985 119.7617 52.5896 43.5272 177.3532 126 S 4.2519 8.4686 117.8832 58.3790 64.7132 175.4068 127 K 3.7891 8.5647 124.4129 60.0708 32.0147 178.1931 128 H 4.2167 8.2509 119.2540 59.1613 29.5953 176.3231 129 T 3.8459 7.9555 116.8937 67.2337 68.2861 176.2017 130 L 3.7526 7.8668 120.1776 57.7739 41.0527 179.5035 131 D 4.4228 8.4989 119.1751 57.3912 40.8041 178.5155 132 K 3.9291 8.3128 120.3782 59.6994 32.0875 178.8369 133 I 3.8949 7.8963 119.8345 64.3771 37.1477 177.9988 134 K 3.9586 8.6187 120.5763 59.9730 31.6687 177.7778 135 H 4.2428 8.9136 118.6218 59.9027 29.6737 176.1370 136 F 3.9492 8.6401 121.7021 62.1691 38.8355 177.0842 137 F 3.4844 8.6153 117.7908 59.7623 38.8220 176.5046 138 E 4.7073 7.8984 115.7305 56.2708 30.0512 176.9106 139 T 4.9417 7.6430 106.5153 62.2095 72.2631 174.5883 140 Y 4.8684 8.0592 119.1683 57.7476 37.9755 176.2456 141 K 4.1917 7.2692 118.4670 56.1804 34.1976 177.5348 142 D 4.3062 7.9535 121.8392 57.7447 40.6469 178.7009 143 L 4.2901 7.6950 114.6608 55.6533 41.8396 176.6013 144 E 4.0182 7.6069 120.3070 53.9452 29.6756 174.6440 145 P 4.1822 0.0000 0.0000 64.3085 32.1863 176.0561 146 N 4.1218 8.5646 117.6533 52.4066 35.5221 173.7064 147 K 4.8128 7.5230 111.3770 55.9479 35.7290 173.3666 148 W 5.3343 7.3503 122.2824 55.1754 32.5227 173.8846 149 V 4.6734 8.5043 118.9275 61.4928 34.0387 173.2785 150 K 4.5702 10.0677 130.5020 54.7356 33.7068 175.6597 151 V 3.9667 8.3790 128.5006 61.6369 31.5431 175.7253 152 K 4.0466 8.4343 128.0049 57.1859 32.5442 178.7011 153 G 3.7078 6.7858 104.0524 46.0280 0.0000 170.6943 154 F 5.2087 8.2404 117.9491 56.3467 41.3836 174.8169 155 E 4.9551 9.0022 118.5750 54.7004 34.6855 174.9211 156 N 4.8410 8.6202 118.8424 52.3869 39.0301 176.0166 157 K 3.7778 9.1653 119.1791 59.7783 32.0694 177.7202 158 E 4.0228 8.2761 118.9345 59.5917 29.3093 178.5012 159 S 4.0467 9.4390 113.5432 61.5059 62.4180 175.6701 160 A 3.9561 8.0151 123.0740 55.4825 18.2175 179.3833 161 I 3.5759 8.5003 119.0076 64.8572 37.1591 178.0305 162 K 4.1944 8.1465 120.1270 59.0344 31.9476 179.1048 163 V 3.5241 8.0983 118.0605 67.0551 31.3717 177.1176 164 L 3.9561 8.4859 120.2810 57.4449 41.6453 178.2867 165 E 3.9018 8.4614 117.5155 59.5411 29.4327 179.3580 166 K 3.7672 8.2927 119.3972 59.8709 32.2272 178.3359 167 A 4.8756 7.8957 120.8566 53.6604 18.4884 179.7065 168 I 3.6176 7.6660 119.0670 64.4730 37.2530 178.6560 169 K 4.0554 8.1857 119.1551 59.2231 31.7462 178.9630 170 A 4.1151 7.5343 118.6892 54.3771 18.2634 178.4421 171 Y 4.1823 7.7649 118.4698 59.2799 39.1506 174.9949 172 Q 4.0188 7.9263 121.4871 56.1172 29.0236 175.3067 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.76 0.00 2.81 2.86 0.00 0.00 6.96 5.85 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 3 L 8.14 3.75 0.00 1.85 1.84 1.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.20 4.04 0.00 1.98 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 0.00 2.37 2.39 0.00 5 K 8.05 4.54 0.00 1.73 1.80 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 L 7.41 4.46 0.00 1.54 1.69 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.88 3.84 0.00 1.93 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 2.24 2.28 0.00 8 V 8.09 4.10 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 0.60 0.00 0.00 0.74 0.00 0.00 9 S 8.30 4.59 0.00 3.76 3.67 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 10 H 8.57 5.13 0.00 3.13 3.18 0.00 5.75 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 11 D 7.61 4.47 0.00 2.62 2.65 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 12 A 8.78 3.65 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 13 D 8.10 4.92 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 14 S 8.57 4.75 0.00 3.76 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 15 L 9.41 4.69 0.00 1.76 1.56 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.73 4.52 0.00 3.11 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 17 V 8.58 4.30 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 0.74 0.00 0.00 0.89 0.00 0.00 18 V 7.79 4.08 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 0.00 0.00 0.78 0.00 0.00 0.64 0.00 0.00 19 I 8.24 4.37 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 1.04 0.00 0.00 20 E 9.63 4.79 0.00 2.01 2.20 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 2.43 2.52 0.00 21 I 7.61 4.87 1.54 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.12 0.00 0.00 22 S 8.76 4.88 0.00 3.88 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.72 3.80 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.92 1.36 7.81 24 H 9.07 4.55 0.00 3.31 3.67 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.27 4.53 0.00 4.01 3.97 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 26 N 9.09 5.15 0.00 2.91 3.19 0.00 0.00 6.18 7.83 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 27 I 8.04 4.50 1.91 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 1.05 0.63 -0.03 0.00 0.00 28 K 8.94 4.20 0.00 1.95 1.97 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.37 1.34 7.81 29 Y 8.01 4.67 0.00 3.00 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 30 E 8.56 4.75 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 31 L 9.23 4.32 0.00 1.84 1.83 1.08 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.83 4.78 0.00 2.87 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 33 K 9.16 3.90 0.00 1.80 1.93 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 E 8.33 4.13 0.00 1.95 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 2.32 2.37 0.00 35 S 8.45 4.13 0.00 4.00 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 36 G 8.91 3.84 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 0.00 0.00 0.00 37 A 8.33 4.78 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 38 L 8.03 4.34 0.00 1.66 1.84 0.94 0.50 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 *40 V 8.07 3.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.93 0.00 0.00 41 D 8.78 4.46 0.00 2.65 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 42 R 7.05 4.43 0.00 1.88 1.73 0.00 3.14 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 43 V 8.24 4.63 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 0.91 0.00 0.00 0.90 0.00 0.00 44 L 8.59 4.12 0.00 1.85 1.68 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.06 4.32 0.00 2.73 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 46 G 7.27 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 47 A 8.15 4.40 1.29 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 0.00 0.00 48 Q 7.04 4.82 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 49 N 8.70 4.78 0.00 2.94 2.80 0.00 0.00 5.90 7.55 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 50 Y 8.08 2.97 0.00 3.00 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 51 P 0.00 4.32 0.00 1.94 1.99 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 52 A 7.28 4.38 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 53 N 8.50 4.67 0.00 2.81 2.92 0.00 0.00 6.21 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.27 5.07 0.00 3.02 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.78 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 0.00 0.00 0.00 0.00 56 F 8.68 5.33 0.00 3.14 3.24 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 0.00 57 V 8.28 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.91 0.00 0.00 58 P 0.00 4.57 0.00 1.93 2.00 0.00 3.93 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 59 N 8.57 3.14 0.00 2.52 1.88 0.00 0.00 6.63 7.54 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 60 T 7.27 4.71 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 1.35 0.00 0.00 61 L 9.55 5.00 0.00 1.85 1.68 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.53 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.81 0.00 3.99 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 64 D 8.28 4.57 0.00 2.80 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 65 G 8.29 3.97 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 0.00 0.00 0.00 66 D 7.51 4.98 0.00 2.85 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 5.38 0.00 2.09 2.33 0.00 3.43 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.18 0.00 68 V 8.26 3.80 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 0.74 0.00 0.00 0.92 0.00 0.00 69 D 8.86 5.07 0.00 2.62 2.41 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 70 A 8.38 4.73 1.10 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 0.00 0.00 71 L 8.62 4.93 0.00 1.60 1.60 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.21 5.60 2.17 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 0.93 0.00 0.00 0.88 0.00 0.00 73 L 8.08 4.21 0.00 1.53 1.61 0.99 0.87 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 74 S 8.31 4.60 0.00 3.99 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 75 D 8.61 4.51 0.00 2.65 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 76 V 6.98 4.18 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 0.58 0.00 0.00 0.29 0.00 0.00 77 A 7.88 4.54 1.16 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 78 F 8.50 4.49 0.00 3.05 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 79 Q 8.98 3.77 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 80 A 8.56 4.04 1.02 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 0.00 0.00 81 G 8.48 4.08 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 0.00 0.00 0.00 82 S 8.55 4.43 0.00 3.83 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 83 V 8.07 4.83 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 0.72 0.00 0.00 0.83 0.00 0.00 84 V 8.24 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.45 0.00 0.00 85 K 8.50 4.74 0.00 1.64 1.70 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.34 7.81 86 A 9.02 5.20 1.16 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 87 R 8.54 5.08 0.00 1.95 2.08 0.00 2.74 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 88 L 9.26 4.45 0.00 1.50 1.64 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.66 4.22 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 0.78 0.00 0.00 0.93 0.00 0.00 90 G 7.28 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 91 V 7.17 4.69 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 0.65 0.00 0.00 0.93 0.00 0.00 92 L 8.87 4.60 0.00 1.47 1.35 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.58 4.82 0.00 2.76 2.58 0.00 0.00 6.57 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 *95 E 8.51 4.61 0.00 2.28 2.15 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 2.38 2.61 0.00 96 D 8.70 3.81 0.00 2.50 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 97 E 5.96 3.58 0.00 2.09 1.56 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 2.07 2.25 0.00 98 S 9.38 4.16 0.00 3.81 3.89 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 0.00 0.00 0.00 99 G 7.56 4.37 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 0.00 *101 D 7.28 4.62 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 4.16 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 103 K 8.72 4.37 0.00 1.34 1.47 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.33 1.01 7.81 104 L 8.27 4.29 0.00 1.49 1.56 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.79 4.83 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.91 0.00 0.00 106 A 8.71 5.02 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 0.00 107 L 8.26 5.13 0.00 1.43 1.50 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.90 0.00 1.93 1.84 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 109 I 8.66 3.76 1.81 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 1.25 0.50 0.92 0.00 0.00 110 D 8.95 4.57 0.00 2.66 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 0.00 111 K 8.07 3.92 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 112 I 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.96 3.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 130 L 7.87 3.75 0.00 1.69 1.24 0.67 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.50 4.42 0.00 2.78 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 0.00 132 K 8.31 3.93 0.00 1.68 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 I 7.90 3.89 2.31 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 1.51 0.74 1.28 0.00 0.00 134 K 8.62 3.96 0.00 2.26 2.15 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 135 H 8.91 4.24 0.00 3.27 3.51 0.00 5.67 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 0.00 136 F 8.64 3.95 0.00 3.25 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 0.00 137 F 8.62 3.48 0.00 3.25 3.18 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 0.00 138 E 7.90 4.71 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 2.53 2.34 0.00 139 T 7.64 4.94 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 1.10 0.00 0.00 140 Y 8.06 4.87 0.00 2.27 1.62 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 0.00 141 K 7.27 4.19 0.00 1.30 1.35 0.00 1.22 0.00 0.00 1.21 0.00 0.00 2.42 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.51 0.21 7.81 142 D 7.95 4.31 0.00 2.60 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 0.00 143 L 7.69 4.29 0.00 1.67 1.88 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.61 4.02 0.00 1.77 1.58 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 1.47 1.47 0.00 145 P 0.00 4.18 0.00 2.19 2.10 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 146 N 8.56 4.12 0.00 2.86 2.90 0.00 0.00 6.82 7.61 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 0.00 147 K 7.52 4.81 0.00 1.69 1.46 0.00 1.53 0.00 0.00 2.24 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.96 1.70 7.81 148 W 7.35 5.33 0.00 3.50 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 0.00 149 V 8.50 4.67 2.17 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 0.90 0.00 0.00 0.89 0.00 0.00 150 K 10.07 4.57 0.00 2.05 2.14 0.00 2.07 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 151 V 8.38 3.97 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 0.71 0.00 0.00 1.01 0.00 0.00 152 K 8.43 4.05 0.00 1.96 1.79 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 153 G 6.79 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 0.00 154 F 8.24 5.21 0.00 2.93 3.01 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 0.00 155 E 9.00 4.96 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 156 N 8.62 4.84 0.00 3.08 2.99 0.00 0.00 5.54 6.67 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 0.00 157 K 9.17 3.78 0.00 1.87 1.98 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.50 7.81 158 E 8.28 4.02 0.00 2.07 2.17 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 2.39 2.40 0.00 159 S 9.44 4.05 0.00 3.85 4.05 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 0.00 160 A 8.02 3.96 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 0.00 161 I 8.50 3.58 2.06 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 1.51 1.24 0.93 0.00 0.00 162 K 8.15 4.19 0.00 2.07 1.85 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 163 V 8.10 3.52 2.22 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 0.98 0.00 0.00 0.98 0.00 0.00 164 L 8.49 3.96 0.00 1.73 1.74 0.88 0.89 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 0.00 165 E 8.46 3.90 0.00 2.12 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 2.38 0.00 166 K 8.29 3.77 0.00 1.92 1.99 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 167 A 7.90 4.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.67 3.62 1.98 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 1.34 1.07 0.82 0.00 0.00 169 K 8.19 4.06 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.61 7.81 170 A 7.53 4.12 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 0.00 171 Y 7.76 4.18 0.00 3.14 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 0.00 172 Q 7.93 4.02 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.32 0.00 0.00 0.00 0.00 0.00 2.50 2.88 0.00 * Residues marked with a * may have inaccurate shift predictions.