NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.3254 8.1693 120.9899 55.8187 42.4759 177.2952 20 M 4.0862 7.8174 116.2819 54.1845 32.1907 174.6001 21 I 3.9503 9.2153 124.0756 61.4887 38.9686 176.7653 22 K 4.7619 9.6208 126.7859 54.4881 34.8103 177.7149 23 V 3.5528 8.8784 122.2145 66.2528 31.0886 178.3493 24 E 4.0672 8.3174 117.2452 58.9714 29.6409 178.7071 25 D 4.4570 7.8543 119.0193 56.6896 40.8863 176.7074 26 M 4.6810 7.2694 112.1878 54.4996 33.6766 175.4363 27 M 4.3070 7.6923 116.6703 55.1754 32.7958 176.2228 28 T 4.1609 8.6353 117.5586 63.5883 69.4714 174.9349 29 R 4.4149 8.6341 125.5253 54.9286 31.9509 175.6036 30 H 4.0304 8.2834 115.1217 56.2064 26.2280 173.8672 31 P 4.3749 0.0000 0.0000 62.9372 32.1630 175.9982 32 H 4.3950 8.6760 118.3501 55.9512 29.1876 174.7018 33 T 4.9748 8.3187 113.3329 59.9009 72.2888 172.3590 34 L 4.9385 8.4092 119.8137 53.1773 46.8309 176.1265 35 L 5.1750 8.9735 120.0435 52.5589 43.8469 178.2947 36 R 4.1455 8.7839 116.3387 58.7124 29.5027 177.9682 37 T 4.5656 7.7128 106.4395 61.4458 69.6215 173.9033 38 H 4.4038 7.9649 120.3405 56.4256 29.5933 174.2426 39 T 5.0328 8.8373 111.6925 59.7204 72.0695 175.1319 40 L 3.8876 8.4597 123.7203 58.7468 41.8645 178.9094 41 N 4.3413 8.4161 116.5123 56.7899 38.8292 176.3740 42 D 4.4039 8.2634 120.0616 57.4510 40.8738 178.7693 43 A 3.9636 8.1227 121.0947 54.8976 18.3355 179.4140 44 K 3.8157 8.2899 118.4234 60.2217 32.2283 178.7417 45 H 4.4190 8.3797 116.5811 58.6600 28.5031 177.6067 46 L 3.9342 8.1725 122.3043 58.4197 41.9617 178.8810 47 M 4.0484 8.2461 118.7667 58.4779 31.6772 178.6252 48 E 3.9458 8.1815 117.2839 59.4363 29.7491 179.0062 49 A 4.1301 8.2542 119.9224 54.6380 18.5864 178.8081 50 L 4.2487 8.1218 114.7392 53.5742 43.2089 175.8358 51 D 4.4108 8.0409 118.1135 55.4163 39.8450 172.5082 52 I 4.7357 7.2835 110.0989 59.4047 41.1827 175.6340 53 R 4.4567 8.4039 118.7064 56.9226 31.6050 175.6510 54 H 5.4239 8.1052 114.9489 53.8520 32.9911 172.9789 55 V 4.5447 8.7975 121.6947 60.3975 34.5686 172.9161 56 P 4.9340 0.0000 0.0000 62.7885 33.2455 174.9070 57 I 4.9338 8.9190 123.4993 59.9698 39.4640 175.2679 58 V 5.0055 8.5427 119.5656 59.5594 36.2748 175.0197 59 D 4.7103 8.5841 121.4218 51.8756 41.5426 176.7318 60 A 3.9734 8.6337 120.8840 55.8083 18.1898 178.1408 61 N 4.7166 8.2968 110.4060 52.7687 38.6579 174.9873 62 K 3.8684 7.9897 116.2308 57.0706 30.5861 174.7813 63 K 4.8291 8.0958 119.2202 55.0183 32.7629 175.7943 64 L 4.5063 8.4421 128.2273 55.1635 42.5673 176.0042 65 L 4.5628 9.0609 125.8133 54.5288 44.2732 176.3806 66 G 4.0086 7.0205 103.3432 46.4991 0.0000 171.4191 67 I 5.1519 7.7490 119.1560 59.3825 41.5469 175.0165 68 V 4.8290 8.5961 125.7353 61.1277 34.2704 174.7874 69 S 5.3537 9.2257 122.4074 56.2425 65.6915 175.1374 70 Q 4.0085 8.9024 119.2281 59.4671 28.0164 178.8615 71 R 3.8782 7.6174 119.9838 59.4017 30.1302 178.2726 72 D 4.4269 7.9797 118.1211 56.9679 40.5750 178.7810 73 L 3.9194 7.5830 119.5589 57.6701 41.5916 179.2537 74 L 3.8336 7.8302 119.3907 58.0061 42.1888 178.2780 75 A 3.9351 7.9219 120.5896 55.5229 18.1462 179.5922 76 A 3.9238 8.0669 118.8743 55.1443 18.1402 179.9857 77 Q 3.7301 7.4399 115.8164 59.1384 28.8667 178.3193 78 E 4.0788 8.1860 118.9653 59.4474 29.5716 179.3680 79 S 4.2618 7.8222 113.0090 61.1830 63.6903 176.2462 80 S 4.8652 7.8645 126.4269 57.2147 62.7663 176.4571 *89 S 4.1246 8.3937 127.9750 59.3765 62.0411 172.7894 90 L 4.4337 8.3100 126.8510 54.7400 42.1096 178.7148 91 A 3.8870 7.7320 123.6408 55.3222 18.5289 180.3308 92 F 4.2179 8.1724 113.4689 59.8021 39.1217 176.2916 93 E 4.4979 8.1486 118.8052 56.1406 29.9637 176.4936 94 T 3.7967 7.6185 117.3513 63.0618 69.1685 171.8999 95 P 4.7730 0.0000 0.0000 62.3998 32.2860 177.3256 96 L 3.9779 8.7853 121.7776 57.9460 41.2786 179.8749 97 F 4.5313 8.1867 113.6857 59.5940 37.6601 176.6182 98 E 4.0539 7.2820 117.3584 57.3284 29.5782 177.6746 99 V 4.0065 7.2309 117.1651 63.5956 32.5590 175.7544 100 M 4.4546 8.0013 115.3649 55.1013 32.1546 174.8133 101 H 5.0264 8.4960 114.7337 54.1182 30.9156 174.6954 102 T 4.2822 8.3691 110.1472 61.7321 69.2798 174.4086 103 D 4.5573 7.9868 122.8760 54.5562 40.5855 175.8669 104 V 4.6107 8.0750 116.5398 59.7620 35.7238 174.9008 105 T 4.8350 8.4644 118.6719 61.9050 70.5532 173.6930 106 S 5.4841 8.8026 119.3512 55.6376 66.8421 173.3008 107 V 4.5694 7.9452 117.9167 59.8679 35.0146 174.2355 108 A 4.8875 8.7844 124.2671 50.6847 19.3153 177.0070 109 P 4.2164 0.0000 0.0000 65.5149 31.6200 177.9383 110 Q 4.2031 7.9489 114.1726 56.4025 29.3273 175.8518 111 A 4.2241 7.7726 122.5903 51.5191 19.1247 177.3150 112 G 3.9616 8.3876 106.9633 44.5753 0.0000 174.8887 113 L 4.0066 8.6195 126.4748 57.7219 42.1088 179.2264 114 K 3.9046 8.1031 119.2331 59.6563 32.1170 177.9867 115 E 3.9686 8.2302 118.8618 59.5621 29.4604 178.8888 116 S 4.1846 7.9470 114.6563 61.4742 62.8226 176.5007 117 A 4.1200 8.5510 123.9257 55.2269 18.1195 179.5880 118 I 3.6237 8.1175 118.6673 64.7864 37.2306 177.9402 119 Y 4.0245 8.2406 120.1504 61.0534 38.5543 178.0989 120 M 4.1416 8.5159 119.7900 58.3148 32.0241 178.4870 121 Q 3.8092 8.2602 119.8759 59.1128 29.0793 178.1651 122 K 3.7939 8.0664 119.5273 59.2738 32.2548 177.4789 123 H 4.5250 7.7559 112.7669 53.9125 29.8712 175.0417 124 K 3.7372 7.3098 119.1013 57.3805 29.9647 175.5290 125 I 4.3038 8.0115 118.5941 60.1372 38.5174 176.7318 126 G 4.2712 8.6012 111.8307 46.3642 0.0000 172.3141 127 C 4.8532 7.8282 120.6389 57.9764 34.3044 173.1865 128 L 4.6756 9.3372 130.1072 51.9961 43.0538 173.0319 129 P 4.5440 0.0000 0.0000 62.5653 33.0081 174.9297 130 V 4.7511 8.8371 124.0470 61.2320 33.5760 174.5486 131 V 5.0149 8.8933 127.4086 61.0774 35.0236 174.2654 132 A 4.5663 8.5701 129.3601 51.5424 21.9463 176.2576 133 K 3.8643 9.4729 122.8902 57.9268 29.7535 175.5208 134 D 4.3978 8.0785 113.7444 54.8207 39.2326 173.5311 135 V 4.5001 7.6336 119.9096 60.4558 33.2330 174.6757 136 L 4.4506 8.8156 129.4560 55.7378 41.5993 176.7065 137 V 4.2246 8.4077 119.8716 60.9446 33.1933 175.6785 138 G 3.9849 7.5398 106.8060 46.5102 0.0000 171.6115 139 I 5.1060 7.9797 118.3628 59.7272 42.1139 173.3606 140 I 5.0242 8.8167 128.1732 59.7362 40.4101 174.8006 141 T 5.0483 9.1542 116.2317 59.2320 72.4037 174.5913 142 D 4.6220 9.3278 122.1572 58.0206 40.5830 179.8416 143 S 4.3032 8.1040 112.2969 61.2503 63.2946 175.6862 144 D 4.4490 8.1671 122.4101 56.7315 40.4343 178.3696 145 F 3.9709 8.2917 118.4670 59.6771 38.8507 177.7943 146 V 3.6796 8.0023 118.9415 65.4966 30.9152 178.5368 147 T 3.9036 7.8324 116.3219 65.9111 68.2752 176.7092 148 I 3.5912 7.9707 121.8179 64.2707 37.0458 178.3456 149 A 4.0333 8.4576 121.9598 55.1506 18.2426 179.5929 150 I 3.6480 7.8578 118.2933 64.8260 37.2253 178.4256 151 N 4.3633 8.3638 117.2558 56.3181 38.2501 177.5683 152 L 4.0215 8.3086 120.7515 57.6688 41.6423 179.4265 153 L 3.9907 8.3454 119.4254 57.9564 41.6891 179.5253 154 E 4.0111 8.3748 118.4738 59.1801 29.1613 179.3367 155 L 3.9841 7.8548 118.2793 57.7842 42.1378 179.0069 156 Q 4.1046 8.2939 119.5769 59.4049 28.8276 178.1187 157 E 4.0204 8.3569 118.5266 58.9894 29.5646 178.2956 158 E 4.4416 7.6663 115.5917 55.1612 30.3525 176.5468 159 S 4.2749 7.3640 115.0185 58.1386 63.6882 173.4891 160 E 4.7297 8.4283 123.1925 53.8557 32.0555 174.2292 161 P 4.4319 0.0000 0.0000 62.9001 31.4738 176.3441 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 19 L 8.17 4.33 0.00 1.77 1.87 0.92 0.32 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 20 M 7.82 4.09 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 21 I 9.22 3.95 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 1.35 1.17 0.90 0.00 0.00 22 K 9.62 4.76 0.00 1.69 1.82 0.00 1.95 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 23 V 8.88 3.55 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 0.96 0.00 0.00 0.93 0.00 0.00 24 E 8.32 4.07 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 25 D 7.85 4.46 0.00 2.86 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 26 M 7.27 4.68 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 27 M 7.69 4.31 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 28 T 8.64 4.16 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 1.21 0.00 0.00 29 R 8.63 4.41 0.00 1.60 1.63 0.00 3.30 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 30 H 8.28 4.03 0.00 3.21 3.28 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.37 0.00 2.18 2.06 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 32 H 8.68 4.40 0.00 3.19 3.29 0.00 5.64 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 33 T 8.32 4.97 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 34 L 8.41 4.94 0.00 1.58 1.56 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.97 5.17 0.00 1.61 1.61 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.78 4.15 0.00 2.21 2.28 0.00 2.89 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 37 T 7.71 4.57 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 1.30 0.00 0.00 38 H 7.96 4.40 0.00 3.45 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.84 5.03 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 40 L 8.46 3.89 0.00 1.67 1.93 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.42 4.34 0.00 3.26 2.86 0.00 0.00 7.28 8.11 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 42 D 8.26 4.40 0.00 2.93 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 43 A 8.12 3.96 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 44 K 8.29 3.82 0.00 1.86 1.96 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.53 7.81 45 H 8.38 4.42 0.00 3.37 3.30 0.00 5.69 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 46 L 8.17 3.93 0.00 1.85 1.80 0.86 0.87 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 47 M 8.25 4.05 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.66 0.00 48 E 8.18 3.95 0.00 2.11 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 0.00 2.36 2.45 0.00 49 A 8.25 4.13 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 50 L 8.12 4.25 0.00 1.67 1.70 0.73 0.99 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 51 D 8.04 4.41 0.00 2.78 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 52 I 7.28 4.74 1.91 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 1.42 0.86 1.01 0.00 0.00 53 R 8.40 4.46 0.00 1.59 1.81 0.00 3.03 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 54 H 8.11 5.42 0.00 2.97 3.18 0.00 5.84 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 55 V 8.80 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 56 P 0.00 4.93 0.00 2.17 2.17 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 57 I 8.92 4.93 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 1.24 0.89 0.97 0.00 0.00 58 V 8.54 5.01 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 0.95 0.00 0.00 0.95 0.00 0.00 59 D 8.58 4.71 0.00 2.89 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 60 A 8.63 3.97 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 61 N 8.30 4.72 0.00 2.84 2.84 0.00 0.00 6.97 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 62 K 7.99 3.87 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.36 7.81 63 K 8.10 4.83 0.00 1.80 2.02 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 L 8.44 4.51 0.00 1.63 1.56 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.06 4.56 0.00 1.52 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.75 5.15 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.95 0.00 0.00 68 V 8.60 4.83 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 1.08 0.00 0.00 0.93 0.00 0.00 69 S 9.23 5.35 0.00 3.87 4.06 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 0.00 0.00 0.00 0.00 70 Q 8.90 4.01 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 71 R 7.62 3.88 0.00 2.03 1.97 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 72 D 7.98 4.43 0.00 2.91 2.85 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 73 L 7.58 3.92 0.00 1.80 1.69 0.93 0.34 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 74 L 7.83 3.83 0.00 1.73 1.78 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.92 3.94 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 76 A 8.07 3.92 1.30 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 0.00 0.00 77 Q 7.44 3.73 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 1.79 2.23 0.00 78 E 8.19 4.08 0.00 2.05 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 2.32 2.44 0.00 79 S 7.82 4.26 0.00 4.02 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 80 S 7.86 4.87 0.00 3.74 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 *89 S 8.39 4.12 0.00 3.89 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 90 L 8.31 4.43 0.00 1.75 1.67 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.73 3.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.17 4.22 0.00 3.11 3.10 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 93 E 8.15 4.50 0.00 2.09 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 2.36 2.45 0.00 94 T 7.62 3.80 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 1.06 0.00 0.00 95 P 0.00 4.77 0.00 2.07 2.23 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.91 0.00 96 L 8.79 3.98 0.00 1.91 1.80 0.96 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 97 F 8.19 4.53 0.00 3.18 3.21 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 98 E 7.28 4.05 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 99 V 7.23 4.01 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 0.87 0.00 0.00 0.87 0.00 0.00 100 M 8.00 4.45 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 101 H 8.50 5.03 0.00 3.54 3.43 0.00 5.25 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.37 4.28 4.27 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 1.27 0.00 0.00 103 D 7.99 4.56 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.07 4.61 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 0.78 0.00 0.00 1.00 0.00 0.00 105 T 8.46 4.83 4.32 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 1.18 0.00 0.00 106 S 8.80 5.48 0.00 3.79 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 0.00 107 V 7.95 4.57 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 0.79 0.00 0.00 0.88 0.00 0.00 108 A 8.78 4.89 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 0.00 109 P 0.00 4.22 0.00 2.45 2.30 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 110 Q 7.95 4.20 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 111 A 7.77 4.22 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 0.00 112 G 8.39 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 0.00 113 L 8.62 4.01 0.00 1.84 1.77 0.93 0.24 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 0.00 114 K 8.10 3.90 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.55 7.81 115 E 8.23 3.97 0.00 2.10 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 0.00 2.42 2.45 0.00 116 S 7.95 4.18 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.55 4.12 1.49 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 0.00 118 I 8.12 3.62 2.07 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 1.42 0.76 0.94 0.00 0.00 119 Y 8.24 4.02 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 8.52 4.14 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.69 0.00 121 Q 8.26 3.81 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 122 K 8.07 3.79 0.00 1.68 1.53 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 1.30 7.81 123 H 7.76 4.53 0.00 2.97 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.31 3.74 0.00 1.81 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.33 7.81 125 I 8.01 4.30 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 1.01 0.00 0.00 126 G 8.60 4.27 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 0.00 0.00 0.00 127 C 7.83 4.85 0.00 2.46 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 0.00 128 L 9.34 4.68 0.00 1.80 1.73 0.92 0.97 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 0.00 129 P 0.00 4.54 0.00 2.11 1.96 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 130 V 8.84 4.75 2.07 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 0.97 0.00 0.00 0.96 0.00 0.00 131 V 8.89 5.01 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 0.94 0.00 0.00 0.92 0.00 0.00 132 A 8.57 4.57 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 0.00 133 K 9.47 3.86 0.00 1.88 1.87 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.43 7.81 134 D 8.08 4.40 0.00 2.86 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 0.00 135 V 7.63 4.50 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 0.95 0.00 0.00 0.93 0.00 0.00 136 L 8.82 4.45 0.00 1.58 1.59 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.41 4.22 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 0.77 0.00 0.00 0.95 0.00 0.00 138 G 7.54 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.98 5.11 1.87 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 1.24 1.50 0.92 0.00 0.00 140 I 8.82 5.02 1.89 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 1.17 0.65 0.82 0.00 0.00 141 T 9.15 5.05 4.41 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 1.24 0.00 0.00 142 D 9.33 4.62 0.00 2.78 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.10 4.30 0.00 4.06 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 0.00 144 D 8.17 4.45 0.00 2.75 2.56 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 0.00 145 F 8.29 3.97 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.00 3.68 2.13 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 0.98 0.00 0.00 0.96 0.00 0.00 147 T 7.83 3.90 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 1.19 0.00 0.00 148 I 7.97 3.59 1.61 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.83 0.00 0.00 149 A 8.46 4.03 1.44 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 0.00 0.00 150 I 7.86 3.65 2.02 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 1.53 0.94 0.92 0.00 0.00 151 N 8.36 4.36 0.00 2.84 2.85 0.00 0.00 7.11 7.08 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 0.00 152 L 8.31 4.02 0.00 1.84 1.73 0.97 0.78 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 0.00 153 L 8.35 3.99 0.00 1.84 1.73 0.94 0.80 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 0.00 154 E 8.37 4.01 0.00 2.15 1.99 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 2.33 2.46 0.00 155 L 7.85 3.98 0.00 1.80 1.73 0.92 0.79 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 0.00 156 Q 8.29 4.10 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 157 E 8.36 4.02 0.00 2.12 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 2.53 0.00 158 E 7.67 4.44 0.00 2.08 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 2.28 2.38 0.00 159 S 7.36 4.27 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.43 4.73 0.00 1.94 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 2.20 2.46 0.00 161 P 0.00 4.43 0.00 2.04 1.96 0.00 3.71 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.