NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.3089 8.3001 118.7933 54.4430 33.5013 174.4360 2 A 4.2261 8.2918 122.4599 51.1389 20.5303 174.9060 3 N 4.4161 8.1416 111.6258 53.0830 43.5152 175.4185 4 L 4.7366 8.1502 126.8231 53.2188 41.5046 180.6851 5 E 5.0368 8.3704 127.9386 59.5820 34.0922 174.9855 6 R 4.7797 7.7799 122.3483 57.7430 32.7130 174.4540 7 T 4.7500 8.4343 118.6231 60.8499 71.8946 171.8105 8 F 5.2168 8.8245 127.1810 56.6936 41.3982 174.0915 9 I 4.4607 8.1116 127.0812 59.2035 39.9902 174.4538 10 A 4.6684 8.5458 128.7000 49.9227 22.1154 174.7899 11 I 4.4221 8.8114 124.5482 59.9057 38.4318 176.1782 12 K 4.4235 8.7874 127.2374 55.6466 33.0659 176.6033 13 P 4.5410 0.0000 0.0000 65.4374 31.3338 178.6620 14 D 4.5400 8.3104 117.2566 56.4071 39.3687 178.6822 15 G 3.6982 8.1739 107.2522 47.4031 0.0000 176.0007 16 V 3.6224 7.7366 120.0743 66.0569 31.5752 177.8845 17 Q 4.0805 8.2358 116.7245 58.9290 28.6016 178.3460 18 R 4.3893 8.1248 116.4783 54.7876 31.4096 176.8284 19 G 3.9441 7.9160 106.8513 47.3156 0.0000 174.0715 20 L 4.4701 7.8892 113.7046 54.2108 43.5351 179.6539 21 V 3.6577 7.9632 120.3956 66.1375 31.4074 178.1914 22 G 3.6322 7.9865 104.9134 47.7663 0.0000 175.2004 23 E 3.9670 8.0116 120.5108 59.1987 29.3503 179.3263 24 I 3.7989 7.7064 119.5781 64.4885 37.2256 178.5514 25 I 3.9036 7.9327 120.4761 64.3456 36.9706 178.0424 26 K 4.0249 8.3468 120.8137 60.0146 31.4073 178.5950 27 R 4.0303 8.0437 117.8318 59.5445 29.8644 179.1576 28 F 3.7192 7.9173 117.2764 60.0174 38.7365 177.7691 29 E 4.1942 8.2243 118.6399 59.5285 29.2181 179.3663 30 Q 4.0829 8.2169 116.0500 58.5761 28.6003 177.9073 31 K 3.9085 7.3087 120.3350 57.7867 32.2755 177.1767 32 G 3.9395 7.4770 104.7079 44.8642 0.0000 173.7566 33 F 5.2184 7.5153 118.7506 57.2003 40.2036 175.0412 34 R 4.9833 9.1761 117.7158 54.2765 32.1471 174.8443 35 L 3.0531 8.4882 124.7366 54.8484 41.8790 176.2478 36 V 3.9828 8.6388 128.0192 65.2001 32.8568 175.6548 37 A 4.7661 7.1290 119.5477 51.0094 22.5420 174.9297 38 M 5.4512 8.4074 119.6346 54.3791 35.4257 173.9707 39 K 4.8849 9.6735 124.4516 55.4409 36.8576 174.4478 40 F 5.5660 8.6791 124.0188 56.6610 41.2652 174.2785 41 L 4.2234 8.2739 124.3288 55.2371 44.2816 174.1305 42 R 4.3107 8.2923 120.1757 54.1305 29.8998 175.5034 43 A 3.9662 8.4706 129.5476 51.6427 18.9953 177.9389 44 S 4.4365 8.3697 118.4842 58.3689 65.0979 175.3013 45 E 3.9565 8.6702 122.4060 59.4329 29.2136 179.2196 46 E 3.8881 8.0605 119.0474 59.6238 29.8651 177.9653 47 H 3.9421 8.0616 118.0139 59.4266 29.7449 177.2235 48 L 4.0011 8.0860 120.6729 57.5992 41.2347 179.5043 49 K 4.3907 8.1736 117.8769 59.6814 32.2243 179.0772 50 Q 4.1407 8.0729 118.2393 59.3014 28.4331 178.3091 51 H 4.0792 7.8816 117.9855 58.4121 29.9715 175.8312 52 Y 5.0216 8.0379 117.8036 57.7249 39.0374 177.7927 53 I 3.6519 7.5801 123.5765 64.7677 37.1144 177.4001 54 D 4.5395 8.1558 116.3456 56.1033 40.9126 176.7044 55 L 4.7276 8.1896 119.0098 53.9710 42.6788 178.3174 56 K 2.0000 7.6664 119.4593 58.4017 32.3094 177.3674 57 D 4.6428 7.6112 117.4630 53.9251 41.6810 176.0488 58 R 4.2050 7.5409 119.8875 54.0279 31.3096 175.3297 59 P 4.1598 0.0000 0.0000 66.0292 31.5297 178.5324 60 F 4.4111 7.7756 112.8336 59.5480 37.6437 176.9390 61 F 4.1040 7.6309 121.4663 61.0313 39.2129 175.4574 62 P 4.1626 0.0000 0.0000 65.5673 31.1925 178.8908 63 G 3.6129 8.0472 103.8862 47.7445 0.0000 175.2173 64 L 3.9155 8.2339 123.3599 57.7988 41.7247 179.4131 65 V 3.5303 7.3669 117.2866 65.7813 31.2731 177.6086 66 K 4.0516 7.9652 119.4760 59.8110 31.9063 177.6378 67 Y 4.0090 8.6427 120.1191 61.2108 38.5593 177.8956 68 M 4.3120 8.4780 119.3584 57.2708 32.2522 177.1582 69 N 4.8825 7.8978 116.0953 54.0883 39.4627 176.4438 70 S 4.3283 8.1500 115.1869 60.7110 63.1650 173.8566 71 G 4.1766 6.9315 109.4229 43.2298 0.0000 170.5997 72 P 4.4678 0.0000 0.0000 62.7778 32.7230 175.6174 73 V 4.5999 9.0318 114.2555 59.6290 36.3656 174.8081 74 V 4.9004 8.5855 121.5326 61.4527 33.4875 173.9938 75 A 4.6394 8.9785 131.0283 50.9996 20.7795 175.7181 76 M 5.3646 8.7172 120.8648 53.8935 37.6889 174.2238 77 V 4.6885 8.1592 119.5724 60.9758 34.7850 174.1018 78 W 5.1153 9.0338 127.6380 54.8564 32.0999 174.2589 79 E 4.8692 10.0306 125.9214 53.7813 31.8071 175.1104 80 G 4.9633 8.4393 114.9495 45.6941 0.0000 171.2010 81 L 4.1868 8.7792 122.5531 56.1955 42.0965 175.8553 82 N 4.6589 8.8624 123.6683 54.8677 37.5326 175.8487 83 V 3.1193 7.7760 117.7005 65.6651 31.4306 177.6265 84 V 3.5363 8.2212 117.5864 65.9512 31.2470 177.8817 85 K 3.9475 7.9618 118.7625 59.8824 32.1859 178.7926 86 T 4.0561 8.1485 110.2831 64.5105 68.7364 176.5768 87 G 3.6754 8.3880 109.0621 47.9630 0.0000 175.8862 88 R 3.9921 7.8979 120.3666 58.7439 29.7844 179.3610 89 V 3.5780 7.2941 117.6125 66.2490 31.7687 177.7511 90 M 4.1360 8.2208 118.7496 58.2239 31.7344 178.7504 91 L 4.0770 8.0106 119.4905 55.7825 41.7763 177.7370 92 G 4.1012 8.1948 104.0611 44.0716 0.0000 172.5513 93 E 4.1696 7.7702 118.0218 56.3061 29.8285 177.9841 94 T 3.8238 8.5424 118.6972 66.1248 68.9208 173.7951 95 N 4.6485 7.9307 120.2391 51.3139 38.3996 173.2250 96 P 4.4659 0.0000 0.0000 65.3965 31.6639 178.7744 97 A 4.0223 8.4393 120.4500 54.3449 18.2983 177.7548 98 D 4.7853 8.2383 113.5437 54.2599 41.9658 176.7540 99 S 4.3395 7.4546 116.6458 58.2765 63.4082 174.4273 100 K 4.2711 8.6290 124.2564 55.1750 33.4458 174.6914 101 P 4.3369 0.0000 0.0000 64.1707 31.1909 175.8627 102 G 3.9562 8.8411 112.9310 45.9949 0.0000 174.9315 103 T 4.4784 7.7418 110.3980 60.1401 71.8157 175.6431 104 I 3.8667 8.1980 123.2660 65.1752 37.2729 179.1156 105 R 4.1438 8.2767 118.6392 59.2056 29.6946 179.4541 106 G 3.6032 7.9217 104.4457 47.2073 0.0000 174.7282 107 D 4.3286 7.8932 120.0561 55.0059 41.4324 177.1903 108 F 5.0317 7.8331 115.1013 57.1800 40.5519 174.4110 109 C 5.0349 8.1544 114.2730 56.6882 32.8965 173.1458 110 I 4.2914 8.4514 117.4383 62.6430 39.0590 175.9907 111 Q 4.5670 7.6412 120.5232 54.0790 30.5428 176.3435 112 V 3.6029 8.4349 123.5450 65.8672 31.9618 177.4943 113 G 3.7852 8.2721 107.8299 48.1023 0.0000 174.0383 114 R 4.6803 7.5404 118.6070 54.3800 29.3372 175.2114 115 N 4.8175 7.9056 115.1031 52.7412 38.6999 177.1185 116 I 2.7296 8.3598 110.2604 62.6248 38.7028 172.8308 117 I 5.0134 8.4213 119.3039 60.1318 41.5305 173.2121 118 H 5.0109 9.4640 125.2574 54.3249 33.1838 172.2890 119 G 4.3867 8.3050 110.8576 44.0194 0.0000 172.4062 120 S 4.5996 8.3948 119.6822 58.5841 63.4647 175.4503 121 D 4.5327 8.9800 123.1069 55.4798 40.0476 176.5499 122 S 4.6155 7.4961 113.3155 56.3459 66.7114 175.7944 123 V 3.4710 8.2902 115.9126 64.3605 31.0941 178.8022 124 K 3.9529 7.9714 118.9201 59.6740 32.1759 178.9772 125 S 4.1134 8.0654 114.9676 61.3363 62.6795 176.1855 126 A 4.3442 8.5686 125.5409 54.8728 18.1244 179.6366 127 E 3.9890 8.2912 116.6278 59.3589 29.3837 179.6846 128 K 3.9080 7.7903 118.5595 59.5800 32.2069 178.9856 129 E 3.8915 8.6089 118.9378 59.6827 29.3714 179.5873 130 I 4.0071 8.1470 119.9949 64.7228 36.9367 178.7394 131 S 4.2334 7.9455 115.0341 61.4543 62.7556 176.1561 132 L 4.0341 8.0200 122.4033 57.4700 41.8895 178.2671 133 W 4.3868 8.6515 117.6804 56.3867 29.9525 176.3842 134 F 5.1774 8.0974 116.1136 55.4249 41.8194 174.6285 135 K 4.5952 9.3435 122.9622 54.2141 33.7452 176.0461 136 P 4.2299 0.0000 0.0000 66.2311 30.8289 177.6552 137 E 4.1794 8.1542 116.3353 57.2200 29.6090 176.6869 138 E 4.2352 8.4404 117.2865 58.5687 30.1122 176.2511 139 L 4.1838 7.7669 118.7283 53.9284 41.5563 176.9579 140 V 3.9409 8.4914 125.3301 62.5248 32.4457 175.0197 141 D 5.0945 8.7965 127.4947 52.8635 42.6638 174.8639 142 Y 4.8260 8.1189 120.5072 55.4777 41.2790 173.6771 143 K 4.3740 8.4501 120.4060 53.9188 34.4909 175.5943 144 S 4.3923 8.5607 121.5400 58.3399 63.3788 175.0855 145 C 4.1632 9.0104 119.2712 60.5406 29.6579 174.1430 146 A 4.9283 7.9716 122.1310 52.3314 19.2362 177.5393 147 H 4.1620 8.5912 120.8296 60.9639 29.6174 176.9433 148 D 4.3778 8.0804 117.3632 55.7285 40.8057 177.3425 149 W 4.7464 7.9600 118.2633 57.1503 29.7862 177.3338 150 V 3.9426 7.4823 116.8383 63.3400 31.8774 174.7081 151 Y 4.3684 7.7663 120.3149 57.9831 38.3682 175.1113 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 M 8.30 4.31 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 2 A 8.29 4.23 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 3 N 8.14 4.42 0.00 2.59 2.63 0.00 0.00 6.99 7.78 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 4 L 8.15 4.74 0.00 1.63 0.79 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.37 5.04 0.00 2.36 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 2.18 2.05 0.00 6 R 7.78 4.78 0.00 1.81 1.78 0.00 3.17 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 7 T 8.43 4.75 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 1.20 0.00 0.00 8 F 8.82 5.22 0.00 3.22 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 9 I 8.11 4.46 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.30 0.60 0.00 0.00 10 A 8.55 4.67 0.72 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 0.00 0.00 11 I 8.81 4.42 1.90 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 1.21 0.90 0.93 0.00 0.00 12 K 8.79 4.42 0.00 1.88 1.86 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 13 P 0.00 4.54 0.00 2.27 2.19 0.00 4.01 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 14 D 8.31 4.54 0.00 2.94 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 15 G 8.17 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.62 2.34 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 1.30 0.00 0.00 1.19 0.00 0.00 17 Q 8.24 4.08 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 18 R 8.12 4.39 0.00 1.85 1.95 0.00 3.35 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 19 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 4.47 0.00 1.64 1.25 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.96 3.66 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 1.05 0.00 0.00 0.94 0.00 0.00 22 G 7.99 3.63 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 0.00 0.00 0.00 23 E 8.01 3.97 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 24 I 7.71 3.80 1.90 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 1.59 0.76 1.01 0.00 0.00 25 I 7.93 3.90 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.04 1.23 0.00 0.00 26 K 8.35 4.02 0.00 2.00 2.09 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 27 R 8.04 4.03 0.00 2.08 1.81 0.00 3.28 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 1.66 2.01 0.00 28 F 7.92 3.72 0.00 2.07 1.45 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 0.00 29 E 8.22 4.19 0.00 2.31 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 0.00 2.76 2.83 0.00 30 Q 8.22 4.08 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 31 K 7.31 3.91 0.00 1.62 1.74 0.00 1.36 0.00 0.00 1.47 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.83 0.47 7.81 32 G 7.48 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.52 5.22 0.00 3.19 3.31 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 34 R 9.18 4.98 0.00 1.80 2.11 0.00 2.62 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 35 L 8.49 3.05 0.00 1.20 1.40 0.76 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.64 3.98 1.95 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 0.88 0.00 0.00 0.88 0.00 0.00 37 A 7.13 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.41 5.45 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 39 K 9.67 4.88 0.00 1.90 1.99 0.00 1.18 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.32 1.44 7.81 40 F 8.68 5.57 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.27 4.22 0.00 1.66 1.68 0.85 0.57 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 42 R 8.29 4.31 0.00 1.67 1.82 0.00 3.20 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 43 A 8.47 3.97 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 44 S 8.37 4.44 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.67 3.96 0.00 2.02 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 2.39 2.36 0.00 46 E 8.06 3.89 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 47 H 8.06 3.94 0.00 3.01 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.09 4.00 0.00 1.94 1.91 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.17 4.39 0.00 2.02 2.16 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.84 7.81 50 Q 8.07 4.14 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 51 H 7.88 4.08 0.00 3.03 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.04 5.02 0.00 3.58 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 53 I 7.58 3.65 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 1.52 1.09 0.87 0.00 0.00 54 D 8.16 4.54 0.00 2.71 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 55 L 8.19 4.73 0.00 2.02 1.74 1.34 0.99 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 56 K 7.67 2.00 0.00 1.09 1.10 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.15 7.81 57 D 7.61 4.64 0.00 2.55 2.62 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 58 R 7.54 4.21 0.00 1.48 0.66 0.00 3.06 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 59 P 0.00 4.16 0.00 2.00 2.14 0.00 3.35 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 60 F 7.78 4.41 0.00 3.21 3.36 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 61 F 7.63 4.10 0.00 3.31 3.13 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 62 P 0.00 4.16 0.00 2.22 2.11 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 63 G 8.05 3.61 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 64 L 8.23 3.92 0.00 1.65 1.76 0.41 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.37 3.53 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 0.80 0.00 0.00 0.09 0.00 0.00 66 K 7.97 4.05 0.00 1.91 2.04 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 67 Y 8.64 4.01 0.00 3.31 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 68 M 8.48 4.31 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.83 0.00 69 N 7.90 4.88 0.00 2.92 3.01 0.00 0.00 6.80 7.51 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 70 S 8.15 4.33 0.00 4.00 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 71 G 6.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.47 0.00 0.85 1.72 0.00 3.64 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 2.10 2.02 0.00 73 V 9.03 4.60 2.18 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 0.88 0.00 0.00 1.16 0.00 0.00 74 V 8.59 4.90 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 0.85 0.00 0.00 1.20 0.00 0.00 75 A 8.98 4.64 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 76 M 8.72 5.36 0.00 1.58 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 77 V 8.16 4.69 1.70 0.00 0.00 0.00 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 0.39 0.00 0.00 78 W 9.03 5.12 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 10.03 4.87 0.00 2.01 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 2.32 2.43 0.00 80 G 8.44 4.96 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 81 L 8.78 4.19 0.00 1.70 2.02 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.86 4.66 0.00 3.05 2.98 0.00 0.00 7.27 7.71 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 83 V 7.78 3.12 1.96 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 0.22 0.00 0.00 1.06 0.00 0.00 84 V 8.22 3.54 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 0.99 0.00 0.00 1.01 0.00 0.00 85 K 7.96 3.95 0.00 1.89 2.09 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 86 T 8.15 4.06 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 1.32 0.00 0.00 87 G 8.39 3.68 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 0.00 0.00 0.00 88 R 7.90 3.99 0.00 1.92 2.01 0.00 3.32 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 89 V 7.29 3.58 2.27 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 0.81 0.00 0.00 1.03 0.00 0.00 90 M 8.22 4.14 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.40 0.00 91 L 8.01 4.08 0.00 1.96 1.75 1.23 0.84 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 92 G 8.19 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 0.00 0.00 0.00 93 E 7.77 4.17 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 94 T 8.54 3.82 4.25 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 1.21 0.00 0.00 95 N 7.93 4.65 0.00 2.70 2.71 0.00 0.00 7.21 7.71 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 96 P 0.00 4.47 0.00 2.38 2.25 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 97 A 8.44 4.02 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 98 D 8.24 4.79 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.34 0.00 3.88 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 0.00 100 K 8.63 4.27 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 P 0.00 4.34 0.00 1.88 1.94 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 102 G 8.84 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 0.00 103 T 7.74 4.48 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 1.24 0.00 0.00 104 I 8.20 3.87 1.97 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 1.72 0.96 1.12 0.00 0.00 105 R 8.28 4.14 0.00 1.96 1.99 0.00 3.38 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 106 G 7.92 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.33 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 108 F 7.83 5.03 0.00 3.13 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 0.00 109 C 8.15 5.03 0.00 3.20 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 0.00 110 I 8.45 4.29 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 1.31 0.71 0.92 0.00 0.00 111 Q 7.64 4.57 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 112 V 8.43 3.60 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 0.80 0.00 0.00 0.98 0.00 0.00 113 G 8.27 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.54 4.68 0.00 1.84 2.15 0.00 3.40 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 115 N 7.91 4.82 0.00 2.87 3.00 0.00 0.00 6.08 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 0.00 116 I 8.36 2.73 1.91 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 1.24 1.13 1.06 0.00 0.00 117 I 8.42 5.01 1.91 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 1.09 0.81 0.96 0.00 0.00 118 H 9.46 5.01 0.00 3.27 3.05 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.30 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 0.00 0.00 0.00 0.00 120 S 8.39 4.60 0.00 3.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.98 4.53 0.00 2.83 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 0.00 122 S 7.50 4.62 0.00 4.04 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 0.00 123 V 8.29 3.47 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 0.88 0.00 0.00 0.95 0.00 0.00 124 K 7.97 3.95 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 125 S 8.07 4.11 0.00 4.12 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 0.00 126 A 8.57 4.34 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 0.00 127 E 8.29 3.99 0.00 2.02 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 2.52 2.51 0.00 128 K 7.79 3.91 0.00 1.98 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 129 E 8.61 3.89 0.00 1.98 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 2.20 2.47 0.00 130 I 8.15 4.01 2.07 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 1.70 1.00 0.98 0.00 0.00 131 S 7.95 4.23 0.00 4.03 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 0.00 132 L 8.02 4.03 0.00 1.73 1.91 0.41 1.03 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 0.00 133 W 8.65 4.39 0.00 3.01 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 0.00 134 F 8.10 5.18 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.34 4.60 0.00 1.85 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.51 7.81 136 P 0.00 4.23 0.00 2.23 2.37 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 137 E 8.15 4.18 0.00 1.97 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 2.31 2.35 0.00 138 E 8.44 4.24 0.00 2.30 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 2.40 2.44 0.00 139 L 7.77 4.18 0.00 1.53 1.59 0.85 0.45 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 0.00 140 V 8.49 3.94 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 0.77 0.00 0.00 0.99 0.00 0.00 141 D 8.80 5.09 0.00 2.59 2.57 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 0.00 0.00 0.00 0.00 142 Y 8.12 4.83 0.00 3.04 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 0.00 143 K 8.45 4.37 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.30 7.81 144 S 8.56 4.39 0.00 4.15 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 0.00 145 C 9.01 4.16 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.97 4.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.59 4.16 0.00 3.39 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.08 4.38 0.00 2.32 2.37 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 0.00 149 W 7.96 4.75 0.00 3.41 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.48 3.94 1.63 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 0.28 0.00 0.00 0.89 0.00 0.00 151 Y 7.77 4.37 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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.