NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 C 4.5859 8.2033 117.6236 57.4441 30.0368 173.1608 4 S 4.2233 8.0145 116.3288 54.6267 66.4896 167.7734 5 V 4.4101 8.4972 122.1768 60.1581 35.5200 174.4960 6 D 4.6537 8.4315 121.1687 53.0540 43.3833 174.5251 7 I 4.7523 7.9953 117.2107 59.1132 41.1330 174.6650 8 Q 4.6832 8.5957 120.2082 55.2491 31.6580 173.4571 9 G 4.0467 8.7471 108.8443 44.6547 0.0000 172.9560 10 N 5.0568 8.3610 119.6897 53.4404 38.8996 175.2838 11 D 4.9034 8.6622 118.2314 54.2958 41.6154 177.2276 12 Q 4.2421 7.9573 118.3695 56.3701 29.6129 176.3605 13 M 3.1892 8.2826 115.9035 55.3509 29.2537 176.5430 14 Q 4.6507 7.3724 118.7578 55.2354 31.2254 173.0872 15 F 5.0761 8.4392 115.9275 58.7536 42.6501 172.8902 16 N 4.5116 8.8001 116.3685 55.3540 38.6940 173.7433 17 T 3.6469 8.5847 115.6259 62.0422 66.5429 171.8271 18 N 4.7682 8.2062 131.2754 51.6410 37.6464 176.8739 19 A 5.7040 7.1692 126.0896 53.0329 21.2598 176.8526 20 I 4.5489 8.9463 122.5516 60.9622 39.9223 175.3714 21 T 5.1271 8.4476 121.2720 61.9848 71.5461 173.4322 22 V 4.2619 8.0559 126.7088 59.7664 33.6111 175.4574 23 D 4.6850 8.6268 123.2285 53.9182 41.9756 176.1290 24 K 4.1479 8.4184 123.0622 58.5495 33.1832 178.0086 25 S 4.4580 7.7528 114.8670 55.8243 60.9610 174.7831 26 C 4.8560 7.6539 117.1704 58.6858 33.2389 174.2365 27 K 4.3116 7.9300 123.5648 57.2987 32.3646 175.6729 28 Q 4.7092 7.6784 115.5391 54.5562 33.6322 173.8890 29 F 4.8044 9.3278 121.7730 56.8973 43.1038 173.2450 30 T 4.7722 7.0595 117.8191 60.2417 71.0975 172.4386 31 V 4.1732 8.1453 127.5195 60.9467 34.3160 173.9298 32 N 5.4012 7.9623 121.9887 50.3563 42.2066 173.2748 33 L 4.8326 9.0596 124.0716 53.4566 44.4865 175.9565 34 S 5.1586 7.6280 116.6245 59.2185 65.8477 171.7056 35 H 4.4294 8.2411 112.9332 55.7784 32.3558 173.8259 36 P 4.3931 0.0000 0.0000 64.7757 31.3118 177.4843 37 G 4.1343 7.9959 108.6843 43.7700 0.0000 173.9438 38 N 4.6441 8.2940 116.1358 50.6350 36.0219 169.6405 39 L 4.4312 8.9847 122.7095 51.9274 43.9912 174.2391 40 P 4.2185 0.0000 0.0000 62.3196 31.7302 176.3442 41 K 4.7528 8.4438 117.6940 56.9127 31.8651 176.5125 42 N 5.2977 8.2463 112.7283 51.6077 38.7214 174.6579 43 V 4.3840 7.8696 116.7509 64.0695 33.9389 175.7583 44 M 4.3522 8.0038 117.9404 54.0610 34.1012 173.8501 45 G 4.2765 6.5752 108.9220 45.1267 0.0000 170.2216 46 H 5.2291 8.8623 116.3115 54.0620 32.9271 172.8905 47 N 5.2031 8.9962 119.4850 51.8532 41.0272 173.7091 48 W 5.3653 8.7512 131.2660 55.3258 31.3635 173.7963 49 V 4.2191 8.8451 124.7721 59.1848 34.1361 174.8769 50 L 4.4388 7.5288 124.1801 53.7799 45.1036 175.6869 51 S 5.1030 8.1116 116.7440 58.7889 67.4282 174.4156 52 T 4.9001 8.4172 107.2764 59.0302 71.3960 174.1478 53 A 4.2643 8.2074 125.9186 50.5146 16.5581 177.1229 54 A 4.4232 7.0348 121.3598 52.0226 24.0550 176.6323 55 D 4.7196 8.0255 114.8869 57.2488 43.3456 180.1786 56 M 3.3680 7.1612 117.6487 57.4125 32.0798 178.7525 57 Q 4.0186 8.1367 118.5880 58.7798 28.8724 178.7967 58 G 3.6173 8.9786 108.3002 47.6194 0.0000 176.3149 59 V 3.6788 7.6186 121.8903 65.2283 31.6263 177.6787 60 V 3.4455 7.9260 111.0407 64.6699 31.5162 178.2605 61 T 3.8527 7.8153 113.3909 68.0411 68.8995 176.0565 62 D 4.5777 8.8624 120.6008 57.4410 40.8105 179.1738 63 G 3.8623 8.2812 106.4852 46.6237 0.0000 174.9179 64 M 4.3370 8.4383 120.6447 56.8674 32.0503 178.0504 65 A 4.0582 8.1105 120.5792 55.2451 18.5977 178.9386 66 S 4.2112 7.6782 111.4049 63.4744 63.5148 174.5864 67 G 3.7235 8.0710 107.7757 43.3540 0.0000 171.8948 68 L 3.1054 7.6029 118.6044 55.8460 42.9075 179.4979 69 D 4.3268 7.8181 120.2162 57.4121 41.7194 179.0523 70 K 3.9757 7.6668 116.5821 58.1965 32.5208 176.4533 71 D 4.8640 8.6879 119.7621 56.1023 41.2993 174.8371 72 Y 4.0341 8.0603 110.9957 58.0467 36.5657 170.6821 73 L 4.7562 7.7321 120.3664 52.7080 44.1716 176.3360 74 K 4.0322 8.6906 125.6454 56.4676 32.5347 174.0005 75 P 4.4845 0.0000 0.0000 63.0979 32.3276 175.4615 76 D 4.7065 7.8973 125.6306 55.8877 40.6191 174.9406 77 D 4.1895 6.4916 117.9127 54.3398 39.4130 175.0021 78 S 4.8284 7.9982 125.4655 55.8214 61.3216 174.2935 79 R 4.5050 7.1885 116.0082 56.1524 34.4420 175.0213 80 V 5.0058 7.6464 116.9216 60.0329 34.3254 174.8976 81 I 4.5522 7.7588 123.8286 60.8150 39.8659 175.3725 82 A 4.4445 7.1493 119.4347 51.2882 22.1519 174.8511 83 H 5.4751 9.3084 118.2253 52.5810 31.2557 173.9800 84 T 4.7641 8.7245 116.4226 61.7008 70.7871 173.0153 85 K 4.7438 8.6510 120.6851 55.0215 36.6374 175.8955 86 L 4.5900 9.1668 123.4801 55.0013 42.3039 176.3111 87 I 4.5162 7.8857 120.5190 59.2281 40.9543 174.1281 88 G 4.3393 8.8761 107.7441 45.7552 0.0000 172.9583 89 S 4.1498 7.3051 114.9331 60.6574 60.3020 174.3694 90 G 3.9637 9.4519 116.2959 45.1664 0.0000 172.6012 91 E 4.4643 8.4235 119.7905 55.7196 30.9237 174.8274 92 K 4.9637 7.9933 117.2367 56.0259 36.5036 174.8684 93 D 4.6788 8.7660 121.0222 54.2632 45.2629 173.7066 94 S 5.0777 8.3433 114.3864 57.1607 67.8558 173.6188 95 V 4.5201 8.9811 122.5435 61.6829 34.2381 174.5954 96 T 5.4090 8.9967 124.4697 60.4647 68.9746 173.1930 97 F 4.9616 8.7157 121.7059 54.8055 41.1379 175.1057 98 D 4.9473 8.9072 119.5795 54.0433 42.0601 175.8434 99 V 4.5568 8.3034 120.3062 62.0763 32.3480 177.5285 *100 S 4.3165 8.5521 119.1343 61.4608 62.2846 180.5912 101 K 4.0304 8.1924 118.9634 58.0307 31.9990 176.7337 102 L 4.7569 7.4337 118.5918 52.7239 44.4070 176.7031 103 K 4.6451 8.7035 124.2480 55.1806 34.2597 175.0707 104 E 4.6198 8.8047 117.3978 56.7766 31.9378 175.2828 105 G 4.1338 9.3952 111.9645 45.2177 0.0000 172.2199 106 E 4.6341 7.9429 118.3166 53.8058 32.6296 174.7347 107 Q 4.6792 7.8591 119.9147 54.2144 32.3828 174.0773 108 Y 4.9658 8.4169 121.4168 56.4603 41.9068 174.5626 109 M 5.2675 9.0092 122.7585 53.5191 35.9886 174.6955 110 F 5.1612 7.5388 115.8429 55.0901 42.0011 173.3731 111 F 6.0950 7.7977 112.9043 57.6094 41.6892 171.8046 112 C 5.4482 9.3631 118.7681 56.8962 33.2750 173.7345 113 T 4.4205 8.9849 115.3323 61.8217 69.1831 174.7039 114 F 3.6093 8.1241 125.1621 57.6938 40.4067 171.4544 115 P 3.9105 0.0000 0.0000 62.4281 31.5667 175.6258 116 G 3.6414 7.7353 105.4831 45.9963 0.0000 173.4691 117 H 4.8039 8.3772 117.7212 56.1709 28.7460 176.0172 118 S 4.7955 8.0995 113.6182 58.6833 62.9326 174.5631 119 A 4.4355 7.9893 123.9173 54.0231 19.6514 179.0098 120 L 4.3652 7.8429 112.9685 56.1797 42.7155 177.4225 121 M 4.7850 7.6253 119.4007 53.2070 30.7766 174.7424 122 K 5.5304 7.4501 119.0497 54.5492 36.4257 176.7370 123 G 3.4415 7.2523 104.8794 45.3079 0.0000 171.4853 124 T 4.7731 8.1595 108.0212 59.7203 72.3829 172.9023 125 L 5.1562 9.6772 125.6533 53.9368 44.7133 175.4330 126 T 5.0302 9.1221 117.2481 59.9004 72.1358 172.9466 127 L 5.4032 8.2586 125.5616 52.6541 44.9067 176.9750 *128 K 4.1303 8.6558 125.9884 54.9002 32.4000 172.8983 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 *3 C 8.20 4.59 0.00 2.70 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 4 S 8.01 4.22 0.00 3.55 3.47 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 5 V 8.50 4.41 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 0.46 0.00 0.00 0.91 0.00 0.00 6 D 8.43 4.65 0.00 2.42 2.52 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 7 I 8.00 4.75 1.66 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.84 0.65 0.00 0.00 8 Q 8.60 4.68 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 9 G 8.75 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 0.00 0.00 0.00 10 N 8.36 5.06 0.00 2.68 2.62 0.00 0.00 6.86 8.47 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 11 D 8.66 4.90 0.00 2.79 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 12 Q 7.96 4.24 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.08 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 13 M 8.28 3.19 0.00 1.99 2.34 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 2.10 2.01 0.00 14 Q 7.37 4.65 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 15 F 8.44 5.08 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 16 N 8.80 4.51 0.00 2.81 2.85 0.00 0.00 6.11 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 17 T 8.58 3.65 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 18 N 8.21 4.77 0.00 3.02 3.23 0.00 0.00 5.88 7.46 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 19 A 7.17 5.70 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 20 I 8.95 4.55 2.17 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 1.67 1.09 1.00 0.00 0.00 21 T 8.45 5.13 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 1.23 0.00 0.00 22 V 8.06 4.26 1.71 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 0.56 0.00 0.00 0.64 0.00 0.00 23 D 8.63 4.68 0.00 2.69 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 24 K 8.42 4.15 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.50 7.81 25 S 7.75 4.46 0.00 3.83 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 26 C 7.65 4.86 0.00 2.94 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 27 K 7.93 4.31 0.00 2.05 1.84 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.09 7.81 28 Q 7.68 4.71 0.00 1.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 29 F 9.33 4.80 0.00 2.31 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 30 T 7.06 4.77 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 0.97 0.00 0.00 31 V 8.15 4.17 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 -0.03 0.00 0.00 0.04 0.00 0.00 32 N 7.96 5.40 0.00 2.58 2.55 0.00 0.00 6.78 6.62 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 33 L 9.06 4.83 0.00 1.58 1.62 1.14 0.75 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 34 S 7.63 5.16 0.00 3.83 3.76 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 35 H 8.24 4.43 0.00 3.24 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.39 0.00 2.13 2.09 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 37 G 8.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.29 4.64 0.00 2.75 2.65 0.00 0.00 6.35 7.79 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 39 L 8.98 4.43 0.00 1.60 1.56 0.91 0.99 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 40 P 0.00 4.22 0.00 2.11 2.06 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 41 K 8.44 4.75 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.59 7.81 42 N 8.25 5.30 0.00 2.91 2.94 0.00 0.00 5.95 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 43 V 7.87 4.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 44 M 8.00 4.35 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 45 G 6.58 4.28 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 0.00 46 H 8.86 5.23 0.00 3.07 3.05 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.00 5.20 0.00 2.86 2.83 0.00 0.00 6.54 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 48 W 8.75 5.37 0.00 3.40 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 49 V 8.85 4.22 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.58 0.00 0.00 50 L 7.53 4.44 0.00 1.11 1.09 0.46 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.11 5.10 0.00 4.12 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 52 T 8.42 4.90 4.12 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 0.89 0.00 0.00 53 A 8.21 4.26 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.03 4.42 1.18 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 55 D 8.03 4.72 0.00 2.76 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 56 M 7.16 3.37 0.00 1.72 1.92 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.71 0.00 57 Q 8.14 4.02 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.02 0.00 58 G 8.98 3.62 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 0.00 0.00 0.00 59 V 7.62 3.68 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 1.29 0.00 0.00 1.17 0.00 0.00 60 V 7.93 3.45 1.97 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 0.45 0.00 0.00 0.89 0.00 0.00 61 T 7.82 3.85 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 1.20 0.00 0.00 62 D 8.86 4.58 0.00 2.91 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 63 G 8.28 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.44 4.34 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 65 A 8.11 4.06 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 66 S 7.68 4.21 0.00 4.05 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 0.00 67 G 8.07 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 0.00 0.00 0.00 68 L 7.60 3.11 0.00 1.43 1.33 0.66 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.82 4.33 0.00 2.60 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 70 K 7.67 3.98 0.00 1.70 1.83 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.47 7.81 71 D 8.69 4.86 0.00 2.69 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 72 Y 8.06 4.03 0.00 3.16 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 73 L 7.73 4.76 0.00 1.70 1.67 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.69 4.03 0.00 1.91 1.89 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.65 1.49 7.81 75 P 0.00 4.48 0.00 2.06 2.00 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 76 D 7.90 4.71 0.00 2.82 2.82 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 77 D 6.49 4.19 0.00 2.76 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 78 S 8.00 4.83 0.00 3.90 3.81 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 79 R 7.19 4.51 0.00 1.76 1.91 0.00 3.17 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 80 V 7.65 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 1.11 0.00 0.00 0.94 0.00 0.00 81 I 7.76 4.55 1.63 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.68 0.00 0.00 82 A 7.15 4.44 1.07 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 0.00 0.00 83 H 9.31 5.48 0.00 3.08 3.19 0.00 5.32 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.72 4.76 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 1.44 0.00 0.00 85 K 8.65 4.74 0.00 1.83 1.97 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.62 7.81 86 L 9.17 4.59 0.00 1.92 1.76 1.31 1.32 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 87 I 7.89 4.52 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 1.00 0.00 0.00 88 G 8.88 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 0.00 0.00 0.00 0.00 89 S 7.31 4.15 0.00 3.82 3.81 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 90 G 9.45 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 91 E 8.42 4.46 0.00 2.13 1.92 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 2.31 2.28 0.00 92 K 7.99 4.96 0.00 1.84 1.64 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.01 7.81 93 D 8.77 4.68 0.00 2.82 2.51 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 94 S 8.34 5.08 0.00 3.72 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 95 V 8.98 4.52 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 1.42 0.00 0.00 1.07 0.00 0.00 96 T 9.00 5.41 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 97 F 8.72 4.96 0.00 3.16 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 98 D 8.91 4.95 0.00 2.82 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 99 V 8.30 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 *100 S 8.55 4.32 0.00 3.71 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 0.00 101 K 8.19 4.03 0.00 1.79 1.90 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.58 7.81 102 L 7.43 4.76 0.00 1.42 1.34 0.71 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.70 4.65 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 104 E 8.80 4.62 0.00 2.05 1.92 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 2.19 2.30 0.00 105 G 9.40 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.94 4.63 0.00 1.90 1.75 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 1.58 1.97 0.00 107 Q 7.86 4.68 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 108 Y 8.42 4.97 0.00 3.32 2.78 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 0.00 109 M 9.01 5.27 0.00 1.99 2.05 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 2.56 2.44 0.00 110 F 7.54 5.16 0.00 1.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 7.80 6.09 0.00 3.08 3.25 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 0.00 112 C 9.36 5.45 0.00 3.20 2.88 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 0.00 0.00 0.00 113 T 8.98 4.42 4.56 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 1.42 0.00 0.00 114 F 8.12 3.61 0.00 3.08 2.51 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 0.00 115 P 0.00 3.91 0.00 1.76 1.86 0.00 2.20 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.47 0.00 116 G 7.74 3.64 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 0.00 0.00 0.00 117 H 8.38 4.80 0.00 3.21 3.23 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.10 4.80 0.00 3.80 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 0.00 119 A 7.99 4.44 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 0.00 120 L 7.84 4.37 0.00 1.65 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 M 7.63 4.79 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 122 K 7.45 5.53 0.00 2.02 1.78 0.00 1.32 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 0.95 7.81 123 G 7.25 3.44 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 0.00 124 T 8.16 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 1.14 0.00 0.00 125 L 9.68 5.16 0.00 1.93 1.92 0.81 0.04 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 0.00 126 T 9.12 5.03 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 1.27 0.00 0.00 127 L 8.26 5.40 0.00 1.63 1.58 0.87 0.68 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 *128 K 8.66 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.