NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1264 8.2649 123.5565 50.7917 19.9013 176.4876 2 P 4.0819 0.0000 0.0000 61.8330 31.8702 175.1598 3 K 3.9577 9.1344 121.1933 56.4783 33.7296 176.5958 4 D 4.2586 8.4755 121.2840 55.8430 41.4569 176.1326 5 N 4.2077 8.5532 119.6064 53.8627 37.9239 173.2503 6 T 4.9257 6.8126 104.9735 59.8915 73.4224 172.9866 7 W 5.5535 8.9891 121.1041 55.5569 32.9005 174.2067 8 Y 5.6413 8.8477 118.4143 56.6682 41.5101 173.5148 9 T 5.0961 9.2867 114.0716 61.1133 71.5990 172.6441 10 G 3.8502 8.6066 113.2478 45.2698 0.0000 171.0905 11 A 5.3546 8.9930 120.4249 50.4269 23.2152 175.2931 12 K 5.2639 9.3016 117.6335 55.0967 37.6669 175.2316 13 L 5.1763 9.0955 121.3742 53.0955 44.8607 176.2359 14 G 4.5885 8.8886 109.2689 44.4824 0.0000 171.1347 15 W 5.9824 9.0914 129.7140 56.0976 34.5629 173.5578 16 S 4.4674 9.1354 120.3100 56.7801 65.9829 172.5331 17 Q 5.4804 8.2939 121.0436 53.3482 32.0062 175.7555 *31 H 4.6554 8.1904 112.9712 55.7823 29.3111 173.4802 32 E 4.4660 8.6513 119.7266 56.0140 31.8250 173.1126 33 N 5.5900 8.7873 121.3561 51.2618 42.3251 173.9516 34 K 5.2818 9.4081 121.7352 54.7429 35.9730 175.2872 35 L 5.2651 8.7471 122.9525 53.5637 46.2254 176.3786 36 G 2.9105 8.4089 105.7144 46.9356 0.0000 171.3640 37 A 4.8627 5.8150 121.7892 51.5248 23.4030 175.2585 38 G 4.6648 8.9618 104.6620 47.0052 0.0000 172.2166 39 A 5.5406 9.5479 121.0636 50.3416 23.0599 175.2406 40 F 5.5156 8.9356 113.8971 55.6864 41.9689 173.6094 41 G 4.5182 9.6022 106.7380 45.0613 0.0000 171.6391 42 G 4.2150 8.6287 108.5905 44.8464 0.0000 170.8510 43 Y 4.7434 8.7312 120.4943 55.4783 41.8194 173.6572 44 Q 4.4763 8.3892 128.5705 55.0061 30.5299 176.1827 45 V 3.5829 8.7283 127.4248 64.7256 32.1463 175.0674 46 N 5.6842 7.2730 113.5386 51.1045 39.9173 172.8348 47 P 4.0644 0.0000 0.0000 64.7431 31.4362 176.9004 48 Y 5.1338 8.2385 114.1808 56.8986 39.9377 175.2895 49 V 4.8028 7.9137 119.9284 61.0071 35.0206 174.6784 50 G 4.3765 8.8037 113.6871 44.8333 0.0000 170.8805 51 F 5.4786 9.1392 117.5980 55.7045 43.0707 174.4956 52 E 5.3117 9.6312 120.6618 55.0108 34.4842 173.9350 53 M 5.2680 9.3974 121.9024 53.9155 35.3594 174.6530 54 G 4.7684 9.4848 112.3301 44.7127 0.0000 170.5441 55 Y 5.5321 9.2896 121.4445 55.9034 42.1678 173.9532 56 D 5.1717 8.5371 125.0290 52.2832 45.9929 174.3086 57 W 5.4886 8.7505 117.3896 54.8937 32.2419 174.0267 58 L 5.0256 9.4848 120.3972 53.1475 45.7252 175.7771 59 G 4.7779 9.3129 109.7739 44.3041 0.0000 171.7340 60 R 4.7399 8.9358 123.8437 56.3029 30.7381 175.7809 61 M 4.6269 8.6190 125.9558 53.2716 33.5639 174.6259 62 P 4.0657 0.0000 0.0000 64.6614 31.9918 175.5585 63 Y 3.3880 7.7923 117.2561 58.7041 35.9217 171.5753 *71 A 4.2161 7.7236 120.9533 52.2549 20.2603 175.8161 72 Y 4.8756 8.6234 118.8141 56.9822 41.1789 175.0486 73 K 5.2801 9.1810 125.0829 54.6835 36.2422 174.7772 74 A 5.4067 9.4913 127.6095 50.5145 22.8034 174.9088 75 Q 5.0650 9.5431 118.6104 54.6033 33.8956 174.4569 76 G 4.6085 8.9107 107.7453 45.0688 0.0000 171.8001 77 V 5.3835 9.1788 122.9797 60.8884 34.5693 174.4249 78 Q 5.1375 9.4288 124.6946 54.5142 32.9166 173.5955 79 L 5.3471 8.8678 121.8984 53.7766 45.2812 175.2833 80 T 5.2288 9.2709 115.6405 60.0067 72.9047 172.7079 81 A 4.8603 9.0465 125.0974 51.2675 20.6620 176.3774 82 K 4.8853 9.0030 123.0098 54.6985 34.9868 174.6609 83 L 5.2413 9.0820 128.3093 53.1300 44.6838 176.1143 84 G 4.7377 9.3921 109.9382 45.6158 0.0000 170.6278 85 Y 5.5628 8.7730 116.9449 54.7987 41.7682 172.7267 86 P 4.8701 0.0000 0.0000 62.8170 32.2129 176.3293 87 I 4.0240 8.5655 125.4465 63.4559 36.4711 175.4994 88 T 4.7436 7.2675 108.0219 59.8138 71.9050 173.9766 89 D 4.5251 8.7350 120.2621 57.0770 40.9926 177.5111 90 D 4.6117 7.6652 115.1425 54.4001 41.9810 175.4234 91 L 4.9844 8.0021 122.1220 53.1533 44.2829 174.9539 92 D 5.3266 8.9116 125.8611 52.6227 44.2178 175.1469 93 I 4.7394 7.9858 122.5203 60.1379 39.6570 174.3341 94 Y 5.3310 8.2974 122.3697 56.3564 41.8085 173.5835 95 T 5.2358 9.4494 116.3210 61.9798 73.1105 173.3016 96 R 5.3880 8.9489 122.4157 54.5152 34.3390 174.5715 97 L 4.7269 8.7738 122.3649 53.7982 43.9789 175.5003 98 G 4.2144 7.6559 110.4746 46.2288 0.0000 172.0386 99 G 4.4895 8.1597 109.6950 44.6382 0.0000 171.1894 100 M 5.4176 9.1457 119.9198 53.7488 36.3417 174.1092 101 V 4.8467 8.9056 119.5144 59.5767 33.8058 175.0572 102 W 5.5289 8.6548 122.5324 54.6823 32.2000 174.2834 103 R 5.3585 9.5526 119.9594 54.8316 33.4931 173.3063 104 A 5.3229 9.6617 127.9572 50.3714 22.0054 174.3735 105 D 5.4648 9.4536 122.9975 52.9674 43.8137 175.8717 106 T 4.9023 8.9242 118.3313 60.8475 72.9822 172.8285 107 Y 4.5365 8.1233 123.2770 56.5073 40.8783 173.9991 108 S 4.9541 8.9718 121.8559 56.9336 65.0401 174.2262 109 N 4.6508 8.8562 119.2250 53.9163 39.4651 176.7682 110 V 4.0565 7.5668 116.9266 65.1342 32.0239 176.2738 111 Y 4.5293 8.1420 113.3204 57.1564 38.7213 177.5315 112 G 3.7973 7.6875 109.7337 44.7112 0.0000 173.3188 113 K 4.3054 8.0255 118.1872 56.7053 33.0554 175.9482 114 N 5.1385 8.7515 120.4962 53.2560 43.0362 172.4278 115 H 5.2752 8.2916 115.5173 54.8869 31.2713 172.2907 116 D 4.9459 9.1538 118.7203 52.8926 44.9182 174.1146 117 T 4.4377 7.8925 113.0450 60.0702 72.3028 172.4969 118 G 3.3837 6.4057 108.1935 45.6060 0.0000 172.0644 119 V 5.0427 8.1471 118.9337 61.1844 34.3745 174.4557 120 S 4.8118 9.3163 120.7209 56.2552 65.4281 171.6295 121 P 4.8510 0.0000 0.0000 62.7621 32.7316 175.6021 122 V 4.4435 7.9871 120.8182 60.1286 34.9316 174.1774 123 F 5.0051 8.5849 121.0639 55.8183 43.2423 173.5343 124 A 4.8785 8.5309 121.0479 50.8980 23.1692 175.5208 125 G 4.3635 9.4863 106.5164 44.8598 0.0000 172.2327 126 G 3.9619 7.7854 108.7951 45.4407 0.0000 172.0816 127 V 4.9066 8.5714 112.2014 59.3202 35.7603 174.9459 128 E 5.2130 9.1474 124.5276 54.6980 33.0058 173.7431 129 Y 5.0682 9.4087 124.7154 56.2451 40.4032 174.8705 130 A 4.5185 8.9602 128.2190 51.1655 18.3605 177.3361 131 I 3.8280 8.6904 123.7012 64.8203 37.4761 176.6121 132 T 4.7650 7.3701 107.7382 58.9143 71.9084 172.6007 133 P 4.2163 0.0000 0.0000 64.9621 31.5562 177.5633 134 E 4.0958 8.1165 116.8588 56.4953 30.6193 175.4913 135 I 5.1998 7.5717 119.7993 59.3036 40.6656 174.6302 136 A 5.3322 9.0821 127.9082 50.3752 22.8147 174.8518 137 T 5.2387 8.9353 110.7687 60.1153 72.1653 173.4166 138 R 5.4031 9.0930 118.0956 54.7241 33.7051 173.5116 139 L 5.2781 9.1012 122.1011 53.5090 45.1488 174.8257 140 E 5.1481 9.4961 126.1918 54.8043 33.5465 172.8517 141 Y 5.2400 9.3286 126.2582 55.8581 41.7025 173.9461 142 Q 4.9358 8.6880 128.0562 54.0306 32.3760 174.0658 143 W 5.5343 8.7433 122.2171 55.4547 32.5841 173.1561 144 T 4.8766 8.3388 109.4070 60.2534 71.5069 173.8020 145 N 4.8602 7.8854 114.7986 52.2134 38.0419 172.5280 *160 G 3.8031 7.4507 106.8193 47.0267 0.0000 170.8180 161 M 4.9469 8.5816 118.7831 53.6307 35.2457 174.2232 162 L 5.3511 8.9106 126.4798 54.0540 44.0890 175.7650 163 S 5.1970 9.1514 115.7012 57.2797 66.9705 172.7935 164 L 5.3142 8.9638 120.5855 53.3509 45.4117 175.9405 165 G 4.8254 9.2235 109.0885 45.3771 0.0000 171.5615 166 V 5.3141 9.0873 118.6245 60.0314 35.0701 174.7111 167 S 5.1348 9.5618 116.9802 56.8752 67.1855 171.7415 168 Y 5.0533 9.2165 122.5114 55.9988 40.9094 174.3851 169 R 4.6212 7.8088 126.5501 54.5499 30.6929 176.8517 170 F 4.0571 9.0405 124.3875 58.2733 39.3963 175.9457 171 G 4.1974 8.2211 113.2135 45.9325 0.0000 173.1696 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 A 8.26 4.13 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 2 P 0.00 4.08 0.00 2.06 1.97 0.00 3.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 3 K 9.13 3.96 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 D 8.48 4.26 0.00 2.65 2.61 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 5 N 8.55 4.21 0.00 2.84 2.85 0.00 0.00 6.90 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 6 T 6.81 4.93 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 1.36 0.00 0.00 7 W 8.99 5.55 0.00 3.41 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 8 Y 8.85 5.64 0.00 3.16 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 9 T 9.29 5.10 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 1.41 0.00 0.00 10 G 8.61 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 11 A 8.99 5.35 1.23 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 12 K 9.30 5.26 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.84 7.81 13 L 9.10 5.18 0.00 1.56 1.51 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.89 4.59 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 0.00 0.00 0.00 15 W 9.09 5.98 0.00 3.30 3.07 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 16 S 9.14 4.47 0.00 3.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.29 5.48 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.28 0.00 0.00 0.00 0.00 0.00 2.47 1.84 0.00 *31 H 8.19 4.66 0.00 3.28 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.65 4.47 0.00 2.01 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 2.25 2.26 0.00 33 N 8.79 5.59 0.00 2.78 2.95 0.00 0.00 6.82 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 34 K 9.41 5.28 0.00 1.67 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 35 L 8.75 5.27 0.00 1.58 1.47 0.90 0.65 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 36 G 8.41 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 0.00 0.00 0.00 37 A 5.82 4.86 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 38 G 8.96 4.66 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 0.00 0.00 0.00 39 A 9.55 5.54 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 40 F 8.94 5.52 0.00 3.21 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 41 G 9.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.63 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 0.00 0.00 0.00 0.00 43 Y 8.73 4.74 0.00 1.67 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 44 Q 8.39 4.48 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 V 8.73 3.58 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 0.92 0.00 0.00 1.21 0.00 0.00 46 N 7.27 5.68 0.00 2.94 2.89 0.00 0.00 6.74 7.76 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 47 P 0.00 4.06 0.00 0.91 1.73 0.00 3.48 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 1.77 1.90 0.00 48 Y 8.24 5.13 0.00 3.09 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 49 V 7.91 4.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.97 0.00 0.00 50 G 8.80 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 51 F 9.14 5.48 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 52 E 9.63 5.31 0.00 1.88 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 2.36 2.34 0.00 53 M 9.40 5.27 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 54 G 9.48 4.77 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 55 Y 9.29 5.53 0.00 3.11 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 56 D 8.54 5.17 0.00 2.44 2.30 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 0.00 57 W 8.75 5.49 0.00 3.47 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 58 L 9.48 5.03 0.00 1.59 1.56 0.87 0.70 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 59 G 9.31 4.78 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 60 R 8.94 4.74 0.00 1.94 1.89 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 61 M 8.62 4.63 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 62 P 0.00 4.07 0.00 2.17 2.02 0.00 3.88 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 2.09 2.14 0.00 63 Y 7.79 3.39 0.00 3.04 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 *71 A 7.72 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.62 4.88 0.00 2.95 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 73 K 9.18 5.28 0.00 1.91 1.67 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 A 9.49 5.41 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 75 Q 9.54 5.06 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 76 G 8.91 4.61 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 77 V 9.18 5.38 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 1.19 0.00 0.00 1.20 0.00 0.00 78 Q 9.43 5.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 79 L 8.87 5.35 0.00 1.77 1.52 1.02 0.64 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 80 T 9.27 5.23 4.39 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 1.18 0.00 0.00 81 A 9.05 4.86 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 82 K 9.00 4.89 0.00 1.68 1.64 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 83 L 9.08 5.24 0.00 1.72 1.61 0.95 0.74 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 84 G 9.39 4.74 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 0.00 0.00 0.00 85 Y 8.77 5.56 0.00 3.17 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 86 P 0.00 4.87 0.00 2.24 2.09 0.00 4.12 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 2.10 1.99 0.00 87 I 8.57 4.02 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.89 0.00 0.00 88 T 7.27 4.74 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 89 D 8.74 4.53 0.00 2.69 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 90 D 7.67 4.61 0.00 2.70 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 91 L 8.00 4.98 0.00 1.60 1.35 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.91 5.33 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 4.74 1.17 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.71 0.70 0.00 0.00 94 Y 8.30 5.33 0.00 3.12 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 95 T 9.45 5.24 4.35 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 1.38 0.00 0.00 96 R 8.95 5.39 0.00 1.69 1.75 0.00 3.06 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 97 L 8.77 4.73 0.00 1.65 1.85 1.06 0.91 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 98 G 7.66 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 0.00 0.00 0.00 0.00 99 G 8.16 4.49 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 0.00 0.00 0.00 100 M 9.15 5.42 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 101 V 8.91 4.85 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 0.68 0.00 0.00 0.97 0.00 0.00 102 W 8.65 5.53 0.00 3.51 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 0.00 103 R 9.55 5.36 0.00 1.90 1.88 0.00 3.03 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 104 A 9.66 5.32 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 0.00 105 D 9.45 5.46 0.00 2.66 2.58 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 0.00 106 T 8.92 4.90 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 0.97 0.00 0.00 107 Y 8.12 4.54 0.00 3.18 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 0.00 108 S 8.97 4.95 0.00 3.95 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 0.00 109 N 8.86 4.65 0.00 2.78 2.91 0.00 0.00 6.82 7.68 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 0.00 110 V 7.57 4.06 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 1.04 0.00 0.00 0.97 0.00 0.00 111 Y 8.14 4.53 0.00 2.84 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 0.00 112 G 7.69 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 0.00 113 K 8.03 4.31 0.00 1.48 1.53 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.03 7.81 114 N 8.75 5.14 0.00 2.80 2.57 0.00 0.00 6.88 7.24 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 0.00 115 H 8.29 5.28 0.00 3.34 3.33 0.00 5.52 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 0.00 116 D 9.15 4.95 0.00 2.88 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 0.00 117 T 7.89 4.44 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 1.17 0.00 0.00 118 G 6.41 3.38 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 0.00 119 V 8.15 5.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 120 S 9.32 4.81 0.00 4.12 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 0.00 121 P 0.00 4.85 0.00 2.12 1.83 0.00 3.66 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 2.20 2.11 0.00 122 V 7.99 4.44 1.91 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 0.56 0.00 0.00 0.78 0.00 0.00 123 F 8.58 5.01 0.00 1.51 1.69 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 0.00 124 A 8.53 4.88 1.19 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 0.00 0.00 125 G 9.49 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 0.00 0.00 0.00 0.00 126 G 7.79 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 0.00 127 V 8.57 4.91 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 0.50 0.00 0.00 0.94 0.00 0.00 128 E 9.15 5.21 0.00 2.07 1.73 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 2.14 2.51 0.00 129 Y 9.41 5.07 0.00 2.88 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 0.00 130 A 8.96 4.52 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 0.00 131 I 8.69 3.83 1.88 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 1.38 0.85 0.91 0.00 0.00 132 T 7.37 4.77 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 0.00 133 P 0.00 4.22 0.00 2.02 2.12 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 134 E 8.12 4.10 0.00 2.07 1.83 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 2.14 2.09 0.00 135 I 7.57 5.20 1.89 0.00 0.00 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 1.21 1.16 0.94 0.00 0.00 136 A 9.08 5.33 1.17 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 0.00 0.00 137 T 8.94 5.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 138 R 9.09 5.40 0.00 2.14 2.12 0.00 2.40 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 139 L 9.10 5.28 0.00 1.88 1.65 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.50 5.15 0.00 2.16 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 2.25 2.40 0.00 141 Y 9.33 5.24 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 0.00 142 Q 8.69 4.94 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 143 W 8.74 5.53 0.00 3.32 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 0.00 144 T 8.34 4.88 4.33 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 1.16 0.00 0.00 145 N 7.89 4.86 0.00 3.11 3.00 0.00 0.00 6.90 6.88 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 *160 G 7.45 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 0.00 161 M 8.58 4.95 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 162 L 8.91 5.35 0.00 1.88 1.78 1.08 1.05 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 0.00 163 S 9.15 5.20 0.00 3.98 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 0.00 164 L 8.96 5.31 0.00 1.64 1.60 0.94 0.77 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 0.00 165 G 9.22 4.83 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 0.00 0.00 0.00 166 V 9.09 5.31 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 0.92 0.00 0.00 1.03 0.00 0.00 167 S 9.56 5.13 0.00 4.04 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 0.00 168 Y 9.22 5.05 0.00 2.90 2.63 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 0.00 0.00 0.00 0.00 169 R 7.81 4.62 0.00 1.51 1.71 0.00 3.14 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 170 F 9.04 4.06 0.00 3.34 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 0.00 171 G 8.22 4.20 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 0.00 * Residues marked with a * may have inaccurate shift predictions.