NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4501 8.3344 117.1075 57.5394 64.0394 172.8727 3 K 4.0428 8.5298 125.7031 54.8346 32.6934 174.7500 4 A 4.3381 9.5640 129.9861 51.9440 20.8056 175.3897 5 K 5.1419 8.8293 121.4820 54.6695 35.3673 175.2309 6 I 5.0041 9.0921 125.1803 59.4611 40.5967 175.0023 7 G 4.1940 9.1635 115.3729 45.8926 0.0000 172.4982 8 I 5.2277 9.3977 124.4388 59.3895 41.0140 174.5339 9 V 4.7225 8.9870 127.8221 61.4189 34.0972 174.3389 10 T 4.7784 8.7046 126.0203 62.4449 70.1747 174.0344 11 V 4.6028 8.3035 127.7891 61.5617 33.7193 174.5634 12 S 4.4559 9.0611 118.2445 56.8518 66.2988 176.3723 13 D 4.3979 9.2562 128.9067 57.7874 40.4594 179.3564 14 R 3.8916 7.9020 116.1259 59.2564 30.6183 178.5291 15 A 4.1471 8.1267 120.5792 55.2311 18.1534 179.6204 16 S 4.0384 8.1037 110.5686 61.3615 62.5286 175.8741 17 A 4.3068 7.8359 122.2201 51.5614 18.2752 177.1927 18 G 4.0441 7.1400 106.9855 45.1049 0.0000 173.4071 19 I 4.7570 7.9596 117.2898 58.6434 41.1212 174.9663 20 Y 4.1603 8.7385 121.5379 60.2786 38.7435 175.9099 21 E 4.5380 7.7775 117.2554 53.8754 32.4803 175.1570 22 D 4.6973 8.4927 125.5721 53.2941 39.9824 176.6357 23 I 3.8177 7.9585 119.5368 63.0619 37.9706 178.4647 24 S 4.1760 8.1843 117.1445 61.5472 62.9239 176.2192 25 G 3.8926 8.5756 109.8020 47.1422 0.0000 175.3947 26 K 3.8381 8.1324 121.7497 59.1462 32.2125 178.6422 27 A 4.0108 8.0322 121.0127 55.1242 18.1537 179.6841 28 I 3.5580 7.7312 118.2110 64.6418 37.2020 178.5210 29 I 3.8551 7.8637 119.3730 64.1908 37.7980 177.6447 30 D 4.3142 8.5423 120.2021 57.5757 40.6045 178.9068 31 T 3.4548 7.7285 116.0470 66.4924 68.4487 176.6537 32 L 3.3888 7.7146 121.0108 57.6683 41.3063 179.2091 33 N 4.5851 8.2473 115.4254 56.8078 38.6240 176.8491 34 D 4.5166 7.7070 118.7552 57.4451 41.1390 178.2588 35 Y 4.3802 7.9869 117.3786 59.7664 37.9582 175.9135 36 L 4.7874 7.4938 119.0507 53.7218 42.9562 176.6320 37 T 4.4416 8.8621 113.5508 62.5593 70.1230 175.7310 38 S 4.4686 7.9473 115.9263 57.4609 63.8854 173.6747 39 E 4.3598 8.6000 120.3896 56.4828 30.1461 175.8540 40 W 5.4668 8.2056 116.4170 55.6071 31.5771 173.5442 41 E 4.4881 9.3182 121.2346 53.7503 31.3279 173.8015 42 P 5.1081 0.0000 0.0000 62.7329 32.7338 175.9364 43 I 4.5273 9.0446 123.9038 59.9020 39.7945 173.6337 44 Y 5.4664 8.7332 128.2043 55.9155 41.2559 174.8050 45 Q 4.2409 8.5855 123.9293 54.0825 33.6049 173.7976 46 V 4.6710 7.9821 123.1378 61.1192 33.2557 174.6876 47 I 4.8472 8.6070 120.8211 58.3009 41.4150 173.0330 48 P 4.6963 0.0000 0.0000 61.7115 32.5231 176.8481 49 D 4.6786 8.7058 121.0788 53.9380 38.8216 176.9144 50 E 4.5798 7.5952 118.6909 53.5797 33.3194 175.7087 51 Q 3.9705 8.7962 125.6012 59.4587 29.1991 178.1160 52 D 4.3339 8.0926 119.4336 56.6150 39.2202 178.6074 53 V 3.6180 7.6858 119.0763 65.5946 31.5705 177.9664 54 I 3.6733 7.8305 119.6528 64.2971 36.8739 178.0284 55 E 3.9446 8.4070 119.6953 59.9292 29.3231 179.6377 56 T 3.8492 7.9220 115.3991 66.8672 68.2691 176.7544 57 T 3.8337 7.8302 116.4704 66.6676 68.6111 176.2359 58 L 4.1374 7.7838 119.2844 57.9151 41.9850 179.3479 59 I 3.8945 7.9698 119.8368 64.2194 36.9483 178.9489 60 K 3.8880 7.9783 116.6436 57.3506 31.7309 177.9035 *62 A 4.3096 7.7319 120.1929 51.9150 20.2785 178.4975 63 D 4.5795 8.5271 114.0405 56.3048 41.5164 177.6643 64 E 4.3554 8.4785 117.3125 57.5041 30.3757 176.8952 65 Q 4.4111 8.0044 113.9685 54.6924 29.6181 174.4870 66 D 4.3121 7.9989 116.1101 55.2021 39.6005 173.6385 67 C 4.5963 8.0883 115.5564 59.4925 28.7763 173.9720 68 C 4.3788 8.8658 121.4144 60.2851 30.6673 173.5260 69 L 5.2401 7.9083 120.7348 53.0165 45.2775 175.1916 70 I 5.0240 9.1304 126.4340 59.6005 40.5105 174.7957 71 V 5.0914 9.1094 120.4571 59.7079 35.0386 174.8787 72 T 5.1877 8.6670 113.8592 60.2586 72.4456 172.8016 73 T 4.9403 9.0487 117.0072 61.6978 70.8298 173.9778 74 G 4.1223 7.7618 111.7145 47.6955 0.0000 172.7983 75 G 3.8230 8.7616 106.2421 47.0475 0.0000 174.8041 76 T 4.4276 7.9385 105.7727 60.7588 69.9300 174.0136 77 G 3.9867 8.1462 112.3389 44.1057 0.0000 171.9421 78 P 4.4128 0.0000 0.0000 63.4744 32.1188 176.4587 79 A 4.1319 7.7207 123.0039 51.8729 19.1098 177.9205 80 K 3.7802 8.8771 122.5113 59.8726 32.0337 178.2109 81 R 4.1201 7.8251 113.5041 57.0408 30.6275 176.5333 82 D 4.5845 7.9745 119.4581 54.1877 39.7928 176.4098 83 V 4.9351 7.9035 115.0071 59.7686 33.4336 178.2346 84 T 3.8731 8.1515 120.0525 66.3822 68.1016 174.8785 85 P 4.2928 0.0000 0.0000 65.4786 31.2434 178.4759 86 E 3.9548 8.2041 116.8758 59.3267 29.5332 179.0904 87 A 4.0001 7.9760 120.7133 55.4054 18.4322 179.8776 88 T 3.8065 8.0112 114.2537 66.7970 68.3312 176.6335 89 E 3.9256 8.3603 120.1845 59.1122 29.7025 178.2946 90 A 4.1173 8.0154 120.1977 55.0709 18.5443 179.4517 91 V 3.8636 7.4958 108.5776 62.2405 32.3664 176.7262 92 C 4.5174 7.4139 116.5530 59.2458 28.7039 173.3960 93 D 4.5874 8.6613 122.6566 54.5440 39.9466 175.8851 94 R 4.4240 7.3431 115.2127 54.8166 32.3354 173.1446 *97 P 4.4038 0.0000 0.0000 62.7072 33.3106 178.8760 98 G 3.7121 8.1581 105.4853 48.3859 0.0000 175.6550 99 F 4.0318 8.3910 118.9957 60.5161 39.2595 177.2570 100 G 3.9586 8.3084 103.4110 48.0015 0.0000 174.7769 101 E 4.1880 8.0609 120.3181 59.0718 29.6139 180.5485 102 L 3.9458 7.6663 119.2183 55.4781 42.3774 178.8749 *104 R 4.2607 8.0561 117.6188 55.7685 32.1465 177.9245 105 A 3.9481 8.1538 119.5210 55.0716 18.0522 179.3376 106 E 3.8612 8.4135 117.1880 59.5329 30.0595 178.7076 107 S 4.3290 8.0398 112.7592 61.2508 62.3432 175.6012 108 L 4.2344 8.1378 122.3259 57.4320 41.7925 178.3434 109 K 3.6195 7.1788 117.9729 58.8721 31.9173 177.3434 110 F 4.9319 7.8531 114.7609 57.3611 41.5207 176.0434 111 V 4.4873 7.5284 113.3331 58.0651 34.9695 174.4032 112 P 4.2955 0.0000 0.0000 65.6616 31.1704 177.8416 113 T 4.1810 7.7962 105.8282 62.2074 69.0006 175.8091 114 A 4.0509 8.1238 125.8031 55.6476 18.1334 179.4073 115 I 3.9283 7.2043 108.5361 62.7856 37.8138 177.4673 116 L 4.2855 7.7006 120.0438 54.9920 42.0343 176.8120 117 S 4.2327 7.5388 114.8978 58.4539 62.6964 173.7139 118 R 4.5456 8.8446 126.0602 55.9219 30.1800 176.2751 119 Q 4.1141 7.7065 117.6051 57.3541 29.3588 176.1939 120 T 4.7783 9.1122 116.4688 61.5904 71.3907 171.6890 121 A 4.8856 8.3109 120.5618 51.5233 22.2748 175.8790 122 G 3.9828 8.5057 106.0465 45.9654 0.0000 171.7373 123 L 5.2639 8.7118 119.6656 52.7135 44.8131 176.5114 124 R 4.7426 8.8180 123.7410 54.9732 32.2782 176.9483 125 G 3.8297 9.0065 118.5627 47.0684 0.0000 172.7968 126 D 4.7942 9.0494 120.7128 52.6704 39.7016 175.2942 127 S 4.9177 8.1351 116.7344 57.2429 65.3950 172.8094 128 L 4.5149 8.5915 127.0109 53.9543 43.7156 175.0582 129 I 4.9717 8.7018 127.1388 59.4642 40.3347 174.5858 130 V 4.4824 8.7508 126.9677 61.0014 34.5352 173.8956 131 N 5.4455 8.9798 126.0872 52.0326 38.9606 174.9884 132 L 4.7693 8.9719 124.7878 52.5212 44.8091 175.1482 133 P 4.7634 0.0000 0.0000 62.4427 33.3735 175.5163 134 G 3.8405 8.5835 105.4772 47.8089 0.0000 175.2075 135 K 4.1255 7.7761 121.5984 55.0859 33.9471 175.4035 136 P 4.2533 0.0000 0.0000 65.7700 31.3120 178.7127 137 K 3.9042 7.9747 117.6200 59.7362 32.1269 178.9126 138 S 4.1940 8.0066 114.8935 61.5381 62.7084 176.5524 139 I 3.7128 8.2457 123.0182 64.3785 36.7782 178.4824 140 R 3.8561 8.0485 119.4746 59.5356 30.0578 178.4350 141 E 4.0190 8.2892 118.4558 59.3373 29.4190 179.0052 142 C 4.1624 8.4227 118.9848 62.6309 31.7094 175.5900 143 L 4.2345 8.2852 120.8471 58.0538 40.9684 179.2453 144 D 4.5795 8.6921 119.4134 56.7095 40.7987 178.5295 145 A 4.1352 7.8518 119.9652 54.9836 18.8067 179.3820 146 V 3.8857 7.9318 109.9863 63.0173 32.3287 178.3817 147 F 4.0846 8.7236 121.1286 60.6826 39.1482 175.1238 148 P 4.4072 0.0000 0.0000 64.9573 31.6277 177.1091 149 A 4.5005 7.8504 118.5931 52.5803 19.2430 179.1483 150 I 3.6436 7.6677 119.5051 63.7430 37.1521 176.4143 151 P 4.0044 0.0000 0.0000 65.7315 31.0733 178.0156 152 Y 4.2622 7.8351 117.7993 60.6288 38.5449 177.1694 153 C 3.8877 7.7084 118.4114 62.6978 31.8650 175.4683 154 I 3.7839 7.8381 121.3352 64.2360 36.3984 177.9369 155 D 4.3989 7.9981 119.2903 57.2588 40.9789 180.7414 156 L 4.0937 7.3456 119.2263 54.1780 41.4329 177.5274 *158 E 4.1635 8.1061 114.8572 56.1024 31.0830 176.8167 159 G 3.9994 8.0445 110.1034 43.4272 0.0000 172.4281 160 P 4.2796 0.0000 0.0000 62.9850 31.4894 175.6033 161 Y 4.1743 8.4450 121.6650 56.6113 38.2570 174.8164 162 L 4.3138 8.0608 128.1473 54.3598 42.7940 176.2397 163 E 4.8496 9.2173 123.2362 54.8231 31.9780 174.9222 164 C 5.3343 8.6226 121.0186 57.6948 31.8281 173.4464 165 N 4.5983 9.2519 121.2447 53.4322 38.6463 175.6385 166 E 4.7978 9.2146 125.4914 57.5512 29.9830 178.1965 167 A 4.1639 8.1472 121.4774 53.8498 18.8939 178.3722 168 V 4.1809 7.6826 114.0412 64.0498 33.1951 175.7768 169 I 4.4101 7.9724 118.7597 59.2339 40.8886 173.4993 170 K 4.3739 8.2877 126.8512 53.9235 32.5498 173.5329 171 P 4.5563 0.0000 0.0000 63.0707 32.1654 175.3889 172 F 4.6585 8.7751 125.3879 57.0918 40.6381 175.3122 173 R 3.7704 7.5030 124.3235 53.2123 32.5566 173.6430 174 P 3.8624 0.0000 0.0000 62.5620 31.5585 176.3896 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 S 8.33 4.45 0.00 3.65 3.72 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 3 K 8.53 4.04 0.00 1.84 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.58 7.81 4 A 9.56 4.34 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 5 K 8.83 5.14 0.00 1.93 1.79 0.00 1.66 0.00 0.00 2.10 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 I 9.09 5.00 2.19 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.97 0.00 0.00 7 G 9.16 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 0.00 0.00 0.00 0.00 8 I 9.40 5.23 2.16 0.00 0.00 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 1.25 1.03 1.10 0.00 0.00 9 V 8.99 4.72 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 1.03 0.00 0.00 0.94 0.00 0.00 10 T 8.70 4.78 4.26 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 1.36 0.00 0.00 11 V 8.30 4.60 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 1.00 0.00 0.00 0.93 0.00 0.00 12 S 9.06 4.46 0.00 3.85 3.65 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 13 D 9.26 4.40 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 14 R 7.90 3.89 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 15 A 8.13 4.15 1.34 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 0.00 0.00 0.00 16 S 8.10 4.04 0.00 3.93 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 17 A 7.84 4.31 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 18 G 7.14 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 0.00 0.00 0.00 19 I 7.96 4.76 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 1.01 0.00 0.00 20 Y 8.74 4.16 0.00 2.97 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 21 E 7.78 4.54 0.00 1.81 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 2.19 2.21 0.00 22 D 8.49 4.70 0.00 2.93 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 23 I 7.96 3.82 1.89 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 1.67 0.55 0.96 0.00 0.00 24 S 8.18 4.18 0.00 3.94 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 25 G 8.58 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 0.00 0.00 0.00 26 K 8.13 3.84 0.00 1.87 1.93 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.40 7.81 27 A 8.03 4.01 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 28 I 7.73 3.56 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.94 0.00 0.00 29 I 7.86 3.86 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.89 0.00 0.00 30 D 8.54 4.31 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.73 3.45 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 0.18 0.00 0.00 32 L 7.71 3.39 0.00 1.41 0.78 0.53 0.58 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 33 N 8.25 4.59 0.00 2.96 2.97 0.00 0.00 7.11 8.68 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 34 D 7.71 4.52 0.00 2.68 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 35 Y 7.99 4.38 0.00 2.70 2.59 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 36 L 7.49 4.79 0.00 1.71 1.64 0.08 0.81 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 37 T 8.86 4.44 4.31 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 1.27 0.00 0.00 38 S 7.95 4.47 0.00 4.13 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 39 E 8.60 4.36 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 40 W 8.21 5.47 0.00 3.57 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 41 E 9.32 4.49 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 42 P 0.00 5.11 0.00 2.03 1.83 0.00 3.23 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 0.00 43 I 9.04 4.53 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.87 0.99 0.00 0.00 44 Y 8.73 5.47 0.00 2.86 2.81 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 0.00 0.00 0.00 45 Q 8.59 4.24 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 46 V 7.98 4.67 1.94 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 0.78 0.00 0.00 0.71 0.00 0.00 47 I 8.61 4.85 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.85 0.00 0.00 48 P 0.00 4.70 0.00 2.14 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 49 D 8.71 4.68 0.00 2.93 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 50 E 7.60 4.58 0.00 1.91 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 2.27 2.26 0.00 51 Q 8.80 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 52 D 8.09 4.33 0.00 2.90 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 53 V 7.69 3.62 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 1.11 0.00 0.00 0.92 0.00 0.00 54 I 7.83 3.67 1.99 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 0.60 0.90 0.00 0.00 55 E 8.41 3.94 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 56 T 7.92 3.85 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 1.20 0.00 0.00 57 T 7.83 3.83 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 1.18 0.00 0.00 58 L 7.78 4.14 0.00 1.75 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.97 3.89 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.94 0.00 0.00 60 K 7.98 3.89 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.60 7.81 *62 A 7.73 4.31 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 63 D 8.53 4.58 0.00 2.73 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 64 E 8.48 4.36 0.00 2.10 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 2.28 2.26 0.00 65 Q 8.00 4.41 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 66 D 8.00 4.31 0.00 2.76 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 67 C 8.09 4.60 0.00 3.03 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 68 C 8.87 4.38 0.00 3.02 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 114 A 8.12 4.05 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 0.00 115 I 7.20 3.93 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 1.70 0.64 0.91 0.00 0.00 116 L 7.70 4.29 0.00 1.72 1.77 0.93 0.67 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 0.00 117 S 7.54 4.23 0.00 3.88 3.90 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 0.00 118 R 8.84 4.55 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 119 Q 7.71 4.11 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 120 T 9.11 4.78 4.26 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 1.24 0.00 0.00 121 A 8.31 4.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.09 0.52 0.88 0.00 0.00 130 V 8.75 4.48 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 0.64 0.00 0.00 131 N 8.98 5.45 0.00 2.72 2.77 0.00 0.00 6.89 8.48 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 0.00 132 L 8.97 4.77 0.00 1.72 1.62 0.97 0.83 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 0.00 133 P 0.00 4.76 0.00 2.21 2.24 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 134 G 8.58 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 0.00 135 K 7.78 4.13 0.00 1.85 1.70 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 136 P 0.00 4.25 0.00 2.18 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 137 K 7.97 3.90 0.00 1.78 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.46 7.81 138 S 8.01 4.19 0.00 4.05 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 0.00 139 I 8.25 3.71 2.01 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 1.46 0.80 0.91 0.00 0.00 140 R 8.05 3.86 0.00 1.90 1.91 0.00 3.14 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 141 E 8.29 4.02 0.00 2.14 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 2.39 2.33 0.00 142 C 8.42 4.16 0.00 3.14 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 0.00 143 L 8.29 4.23 0.00 1.87 1.97 0.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.69 4.58 0.00 2.89 2.80 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 0.00 145 A 7.85 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.93 3.89 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 1.22 0.00 0.00 147 F 8.72 4.08 0.00 3.36 2.93 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 0.00 148 P 0.00 4.41 0.00 2.18 2.10 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 149 A 7.85 4.50 1.27 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 0.00 150 I 7.67 3.64 1.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 0.62 0.00 0.00 151 P 0.00 4.00 0.00 1.96 1.86 0.00 3.30 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 152 Y 7.84 4.26 0.00 3.11 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 0.00 153 C 7.71 3.89 0.00 3.22 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 0.00 154 I 7.84 3.78 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.91 0.00 0.00 155 D 8.00 4.40 0.00 2.60 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 0.00 156 L 7.35 4.09 0.00 1.52 1.51 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.11 4.16 0.00 1.97 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 2.20 2.29 0.00 159 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.26 2.29 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 161 Y 8.45 4.17 0.00 2.96 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 0.00 162 L 8.06 4.31 0.00 1.57 1.61 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.22 4.85 0.00 1.99 1.94 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 2.57 2.51 0.00 164 C 8.62 5.33 0.00 2.85 2.84 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 0.00 165 N 9.25 4.60 0.00 2.78 2.78 0.00 0.00 7.41 7.69 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 0.00 166 E 9.21 4.80 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 167 A 8.15 4.16 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 0.00 168 V 7.68 4.18 2.28 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 1.00 0.00 0.00 0.98 0.00 0.00 169 I 7.97 4.41 1.40 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.56 0.00 0.00 170 K 8.29 4.37 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 171 P 0.00 4.56 0.00 2.03 2.03 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 172 F 8.78 4.66 0.00 2.94 2.93 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 0.00 173 R 7.50 3.77 0.00 1.42 1.61 0.00 3.20 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 174 P 0.00 3.86 0.00 2.03 2.00 0.00 2.20 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.