NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4091 8.2629 120.3626 55.7714 33.1653 177.0934 2 S 4.5186 9.2869 109.8497 57.4024 62.1853 173.9327 3 F 5.0071 8.4138 122.0919 58.8664 41.3862 176.9031 4 E 4.3988 8.2159 121.0351 61.0478 29.4836 183.1873 5 Y 5.0148 7.8828 119.9761 60.7292 39.0634 177.2894 6 N 3.8494 7.8420 117.4353 56.4709 38.6737 176.5272 7 E 3.8138 7.7143 119.5904 59.3794 29.5672 179.4374 8 K 4.1022 8.2725 118.7863 59.3200 32.0348 179.5535 9 V 3.5473 7.7059 118.4616 65.9979 31.4218 177.8839 10 L 4.0569 7.6855 118.5707 57.9799 41.4198 179.0289 11 D 4.3075 8.2013 117.6939 57.9240 40.7807 178.1191 12 H 4.2080 8.5426 116.4645 58.2080 28.4576 177.7245 13 F 4.4024 8.4614 122.6566 61.3643 39.3950 177.0239 14 L 3.8821 8.1803 117.6883 56.2612 42.7366 177.2467 15 N 5.0235 8.0528 114.1782 50.7263 38.9142 172.9702 16 P 4.4917 0.0000 0.0000 62.5982 32.2773 176.7507 17 R 4.3929 9.1214 120.4653 56.1381 31.6850 175.6461 18 N 4.0884 8.4074 114.7906 54.3047 36.1026 174.2679 19 V 3.3524 7.9558 116.6942 60.5987 32.8123 176.3239 20 G 3.5461 6.3824 113.8249 44.9794 0.0000 171.7902 21 V 4.1379 7.5503 121.2637 60.3744 32.9151 175.9239 22 L 3.9962 8.6828 130.7418 54.8569 42.1718 176.6167 23 E 4.1119 8.6989 126.5126 57.1410 30.3028 175.5917 24 D 4.5508 8.7369 121.0613 55.0791 38.7012 174.1107 25 A 4.3612 7.3705 120.9398 52.4753 18.8243 177.8409 26 N 5.1780 8.9988 117.1679 52.0816 39.3256 173.8894 27 G 4.4552 7.8761 105.8318 45.8029 0.0000 172.6797 28 V 5.0420 9.5979 125.3566 61.1563 34.5677 174.8269 29 G 4.5323 9.3716 114.1255 44.7532 0.0000 171.5445 30 Q 5.5456 8.4417 119.1492 55.4998 31.2811 174.3572 31 C 5.2255 9.0981 120.6532 55.2341 44.5742 173.0895 32 G 4.4929 8.4286 106.7880 45.3471 0.0000 172.5574 33 N 5.0281 9.7927 121.4076 50.4975 39.9047 172.7888 34 P 4.2029 0.0000 0.0000 65.3073 31.8789 179.0236 35 A 3.9202 8.2807 120.6500 55.1929 18.1207 178.6602 36 C 4.4311 8.3910 112.1380 56.3259 38.2083 173.5896 37 G 3.9477 8.5610 106.9236 47.1458 0.0000 172.8761 38 A 5.4252 7.8769 119.6471 50.1114 22.8382 175.9007 39 A 5.1329 8.6565 119.0735 51.5737 23.4177 175.5058 40 M 5.5114 9.3516 119.0826 53.7948 37.5168 174.2154 41 L 5.2411 9.1361 122.5724 53.7376 45.3199 174.9982 42 F 5.4241 9.5978 126.0986 55.9909 41.8593 175.0530 43 T 5.1703 9.1708 113.2714 59.9416 71.4450 172.9074 44 I 5.0609 8.9612 119.4956 58.7136 41.6495 174.5492 45 K 4.8704 8.9945 124.3626 54.9623 34.4776 174.6300 46 V 4.5843 9.0950 128.3404 60.7811 33.5213 174.7307 47 N 4.5038 8.9434 127.3086 52.8719 39.0990 173.8795 48 P 4.9035 0.0000 0.0000 65.2894 31.8615 177.8634 49 E 4.0981 8.8095 117.5775 59.1695 29.1880 177.6510 50 N 4.7238 8.3665 113.1675 51.9279 38.1414 174.8497 51 D 4.8319 8.3757 117.8762 55.4357 39.2451 172.6203 52 V 4.3814 7.0451 119.6118 61.9187 33.1391 175.2511 53 I 4.1691 8.8438 129.4460 61.3707 36.7668 176.5215 54 E 3.9202 9.0335 128.7672 59.2618 30.0533 176.7985 55 D 4.7827 7.8704 116.5936 53.7770 44.7943 174.4110 56 V 5.0028 8.0386 119.3953 61.1510 33.9383 172.7330 57 R 5.0665 9.0209 120.6300 55.0504 35.0932 173.8628 58 F 5.1594 8.1700 114.5906 55.4313 41.7232 173.3907 59 K 4.7844 8.9975 118.6261 55.0354 35.9193 175.4424 60 T 5.3229 8.1232 117.8521 62.0650 73.1366 173.2507 61 F 4.6897 9.0933 121.1243 57.4397 43.4535 175.9370 62 G 4.2493 9.0584 108.7752 46.9443 0.0000 172.1441 63 C 3.6477 7.9039 118.8675 58.3092 30.4717 175.6613 64 G 3.9022 8.8851 118.2829 48.2980 0.0000 174.7279 65 S 3.9835 8.3282 115.1349 61.4420 62.8449 176.2533 66 A 4.0921 7.7434 122.9607 54.6097 17.9472 179.3331 67 I 3.7912 7.9747 117.3633 63.9925 37.9969 177.8445 68 A 4.2642 8.1699 121.9502 55.1637 18.2088 179.7861 69 V 3.4161 7.6650 116.2226 66.3377 31.7706 178.3570 70 S 4.0628 7.9733 114.7507 61.1462 62.3633 176.5425 71 S 4.4610 8.4591 116.5579 61.7001 62.2151 175.9816 72 M 3.9282 8.0003 120.8195 58.4573 32.0150 177.6921 73 L 3.9714 8.0396 120.8304 58.6134 42.3566 179.2000 74 T 4.1027 8.3529 109.7215 64.7238 68.4778 176.5115 75 E 4.0444 7.7718 121.0682 59.5936 29.5808 178.7893 76 M 4.2985 8.0552 117.6852 58.2973 32.3619 178.6320 77 V 4.2007 7.8553 111.3737 61.7705 32.2230 176.5004 78 K 4.1088 7.3375 119.5997 57.9549 32.3245 176.9575 79 G 3.9440 9.6351 114.4543 45.3474 0.0000 172.8559 80 K 4.6230 7.7527 118.6090 53.1181 35.7779 173.8071 81 P 4.8030 0.0000 0.0000 62.3256 32.1325 177.5137 82 I 3.7426 8.6041 115.3644 64.3106 36.9931 178.6003 83 Q 3.9608 8.0625 119.6099 59.0218 28.6142 177.4479 84 Y 4.0782 8.1062 120.2298 60.8673 38.5958 177.9601 85 A 3.8380 8.1338 119.7279 55.4252 18.5480 179.1524 86 L 3.7456 8.1302 116.4170 57.6604 41.7211 178.8094 87 N 4.3725 7.9381 115.7189 54.3952 39.3634 175.1980 88 L 4.0175 6.8854 122.1624 55.2058 42.9090 175.7404 89 T 4.6127 8.0998 113.2144 59.1247 72.0325 174.5931 90 Y 4.3451 8.4809 121.7858 61.8089 37.8425 179.6015 91 K 4.1406 7.7344 124.8830 59.8795 31.7083 181.8343 92 D 4.5919 8.1518 119.2798 57.3403 40.7376 178.9661 93 I 3.7256 7.6601 119.8161 64.5300 37.2710 178.2753 94 F 3.9557 9.0007 119.0501 60.7155 38.7243 177.6850 95 E 4.4252 8.2830 119.3275 58.7751 28.9937 178.9843 96 E 4.0220 8.0167 118.7323 58.9150 30.0635 178.3550 97 L 4.2643 7.9078 118.7541 55.5274 41.5826 178.2765 98 G 4.0034 7.7216 106.1368 45.0166 0.0000 173.6935 99 G 2.8871 7.6776 109.9956 43.0695 0.0000 173.2577 100 L 4.1813 7.8435 119.1188 53.1469 42.2519 175.5627 101 P 4.2629 0.0000 0.0000 61.7414 31.4326 174.6124 102 P 4.1400 0.0000 0.0000 63.2452 31.7743 177.2006 103 Q 4.0381 8.5284 119.3610 57.3564 28.3558 176.6631 104 K 4.4338 7.4028 118.5320 54.1421 34.8321 175.3765 105 I 3.6126 8.1706 127.5985 61.2844 37.7846 175.7182 106 H 4.7329 8.2137 122.5428 54.1808 30.0835 174.9273 107 C 4.2582 8.7713 115.0726 58.6867 41.1867 175.5166 108 T 3.7752 7.9037 115.9168 65.4142 68.3524 173.8685 109 N 4.9673 7.6644 119.1199 51.5632 39.9973 175.3876 110 L 5.6302 7.8003 120.7371 55.2980 41.8825 177.9787 111 G 3.7407 8.4578 110.6629 47.6269 0.0000 176.0418 112 L 3.5596 7.9038 122.8605 57.7451 41.9634 178.9377 113 E 3.8516 7.9076 117.1461 59.6403 29.6504 179.0702 114 T 3.7811 7.8266 116.7202 66.0644 68.4474 176.4541 115 L 3.4141 7.0595 122.2855 58.2064 42.0376 178.7671 116 H 4.2036 7.8487 116.1831 58.9116 28.5475 177.9731 117 V 3.6889 8.0285 119.9570 65.8774 31.3197 177.9735 118 A 4.1723 7.9475 120.6927 55.2258 18.2377 179.7341 119 I 3.7822 7.8426 118.4496 64.2872 37.1678 178.5088 120 K 3.9841 8.5479 121.0593 59.5065 31.9787 178.3882 121 D 4.3358 8.3835 118.6131 57.2967 41.2763 177.4200 122 Y 4.3653 7.9766 121.3652 60.3566 38.7288 177.7361 123 L 3.7084 8.1802 119.5584 58.2520 41.9029 179.1919 124 M 3.9254 8.1898 118.0089 58.7727 31.9068 178.6548 125 K 4.2632 7.9384 114.8211 57.4807 32.4895 178.0718 126 Q 4.2596 8.6245 118.9129 55.3401 29.3427 176.3336 127 G 3.9427 7.7957 108.7094 45.8675 0.0000 175.3259 128 R 4.2718 7.3911 120.3220 55.8729 26.6969 177.7630 129 V 3.7292 7.6284 122.0730 66.2975 31.8375 177.3291 130 E 3.9326 8.0076 117.2465 61.1633 30.0713 182.8204 131 E 4.2941 8.1755 118.9734 59.2377 29.6328 179.2395 132 A 4.0331 7.8934 120.4233 55.2568 18.2356 179.7531 133 S 4.1967 8.0541 113.9085 61.9942 62.8643 177.2880 134 K 4.1358 7.7706 126.9549 58.4805 31.7791 182.3667 135 I 4.2106 7.2085 120.3641 60.0949 37.7672 174.0995 136 P 4.4468 0.0000 0.0000 62.7193 32.2132 176.6372 137 D 4.6776 8.2541 119.2999 52.9063 41.3954 177.8165 138 C 4.7340 8.5883 115.2205 57.4862 38.1673 174.4919 *139 Y 4.2444 7.3014 121.1950 57.5896 37.2822 175.4363 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 8.26 4.41 0.00 2.09 1.27 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 S 9.29 4.52 0.00 3.75 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 F 8.41 5.01 0.00 2.98 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 4 E 8.22 4.40 0.00 2.01 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 2.31 1.79 0.00 5 Y 7.88 5.01 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.84 3.85 0.00 2.30 1.76 0.00 0.00 7.14 7.65 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 7 E 7.71 3.81 0.00 2.20 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 0.00 2.34 2.24 0.00 8 K 8.27 4.10 0.00 1.97 1.94 0.00 1.95 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 9 V 7.71 3.55 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 0.91 0.00 0.00 0.74 0.00 0.00 10 L 7.69 4.06 0.00 2.02 1.72 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.20 4.31 0.00 2.90 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 12 H 8.54 4.21 0.00 3.33 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.46 4.40 0.00 2.92 3.30 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 14 L 8.18 3.88 0.00 1.60 1.60 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.05 5.02 0.00 2.68 2.67 0.00 0.00 7.05 8.88 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 16 P 0.00 4.49 0.00 2.23 2.24 0.00 3.34 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 17 R 9.12 4.39 0.00 1.86 1.93 0.00 3.55 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 18 N 8.41 4.09 0.00 3.02 3.12 0.00 0.00 6.56 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 19 V 7.96 3.35 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 0.49 0.00 0.00 0.42 0.00 0.00 20 G 6.38 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.55 4.14 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 0.84 0.00 0.00 0.90 0.00 0.00 22 L 8.68 4.00 0.00 1.60 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.70 4.11 0.00 2.08 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 2.37 2.39 0.00 24 D 8.74 4.55 0.00 2.85 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 25 A 7.37 4.36 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 26 N 9.00 5.18 0.00 2.87 3.06 0.00 0.00 6.75 6.79 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 27 G 7.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.60 5.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 29 G 9.37 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 5.55 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 31 C 9.10 5.23 0.00 2.91 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 32 G 8.43 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.79 5.03 0.00 2.71 2.68 0.00 0.00 7.04 8.22 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 34 P 0.00 4.20 0.00 2.25 2.29 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 35 A 8.28 3.92 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 36 C 8.39 4.43 0.00 2.98 3.26 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 37 G 8.56 3.95 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 0.00 0.00 0.00 38 A 7.88 5.43 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 39 A 8.66 5.13 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 40 M 9.35 5.51 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 41 L 9.14 5.24 0.00 1.87 1.60 1.01 1.06 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 42 F 9.60 5.42 0.00 3.04 3.03 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 43 T 9.17 5.17 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 44 I 8.96 5.06 1.89 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 1.37 0.87 1.04 0.00 0.00 45 K 8.99 4.87 0.00 1.82 1.70 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 46 V 9.10 4.58 1.08 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 0.28 0.00 0.00 0.47 0.00 0.00 47 N 8.94 4.50 0.00 2.95 2.69 0.00 0.00 6.93 8.57 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 48 P 0.00 4.90 0.00 2.14 2.32 0.00 3.85 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 49 E 8.81 4.10 0.00 2.19 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 2.37 2.27 0.00 50 N 8.37 4.72 0.00 2.89 3.03 0.00 0.00 6.12 8.07 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 51 D 8.38 4.83 0.00 2.96 2.79 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 52 V 7.05 4.38 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 1.04 0.00 0.00 0.96 0.00 0.00 53 I 8.84 4.17 2.03 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 1.13 0.80 0.94 0.00 0.00 54 E 9.03 3.92 0.00 1.93 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 2.34 2.38 0.00 55 D 7.87 4.78 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.04 5.00 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 0.78 0.00 0.00 1.20 0.00 0.00 57 R 9.02 5.07 0.00 1.64 1.70 0.00 3.30 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 58 F 8.17 5.16 0.00 2.09 1.47 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 59 K 9.00 4.78 0.00 1.61 1.45 0.00 1.39 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.46 7.81 60 T 8.12 5.32 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 1.39 0.00 0.00 61 F 9.09 4.69 0.00 3.02 2.89 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 62 G 9.06 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 0.00 0.00 0.00 0.00 63 C 7.90 3.65 0.00 3.03 2.86 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 64 G 8.89 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 0.00 0.00 0.00 65 S 8.33 3.98 0.00 3.92 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 66 A 7.74 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.79 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 1.14 0.00 0.00 68 A 8.17 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.67 3.42 2.23 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 1.18 0.00 0.00 0.73 0.00 0.00 70 S 7.97 4.06 0.00 3.08 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 71 S 8.46 4.46 0.00 4.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.00 3.93 0.00 2.21 1.79 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 73 L 8.04 3.97 0.00 1.83 1.91 0.82 0.50 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 74 T 8.35 4.10 4.40 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 1.51 0.00 0.00 75 E 7.77 4.04 0.00 2.21 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 0.00 2.43 2.63 0.00 76 M 8.06 4.30 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.67 0.00 77 V 7.86 4.20 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 0.94 0.00 0.00 1.10 0.00 0.00 78 K 7.34 4.11 0.00 1.95 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.42 7.81 79 G 9.64 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 80 K 7.75 4.62 0.00 1.83 1.45 0.00 0.61 0.00 0.00 0.81 0.00 0.00 3.05 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.10 1.14 7.81 81 P 0.00 4.80 0.00 2.48 2.17 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 82 I 8.60 3.74 1.84 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 1.52 0.95 0.76 0.00 0.00 83 Q 8.06 3.96 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 84 Y 8.11 4.08 0.00 3.04 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.13 3.84 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 86 L 8.13 3.75 0.00 1.70 1.60 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.94 4.37 0.00 2.71 2.92 0.00 0.00 7.17 7.33 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 88 L 6.89 4.02 0.00 1.46 1.40 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.10 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 90 Y 8.48 4.35 0.00 3.11 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 91 K 7.73 4.14 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 92 D 8.15 4.59 0.00 2.90 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 93 I 7.66 3.73 2.18 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.04 0.89 0.00 0.00 94 F 9.00 3.96 0.00 3.14 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 95 E 8.28 4.43 0.00 2.19 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 2.32 2.53 0.00 96 E 8.02 4.02 0.00 2.14 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 0.00 2.35 2.40 0.00 97 L 7.91 4.26 0.00 1.94 1.87 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.72 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 99 G 7.68 2.89 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 0.00 100 L 7.84 4.18 0.00 1.62 1.56 0.92 0.97 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 0.00 101 P 0.00 4.26 0.00 2.12 2.06 0.00 3.73 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 1.94 1.92 0.00 102 P 0.00 4.14 0.00 1.78 1.46 0.00 3.44 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.00 103 Q 8.53 4.04 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 104 K 7.40 4.43 0.00 1.56 1.52 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.38 7.81 105 I 8.17 3.61 1.71 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.35 0.00 0.00 106 H 8.21 4.73 0.00 3.15 3.19 0.00 5.64 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 0.00 107 C 8.77 4.26 0.00 3.09 3.26 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 0.00 108 T 7.90 3.78 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 1.23 0.00 0.00 109 N 7.66 4.97 0.00 2.32 2.41 0.00 0.00 6.76 8.69 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 0.00 110 L 7.80 5.63 0.00 1.87 1.85 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.46 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.90 3.56 0.00 0.84 0.90 0.52 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.91 3.85 0.00 2.17 2.16 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 2.52 2.37 0.00 114 T 7.83 3.78 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 1.50 0.00 0.00 115 L 7.06 3.41 0.00 0.96 1.38 0.92 0.73 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 0.00 116 H 7.85 4.20 0.00 3.32 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.03 3.69 2.22 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 1.12 0.00 0.00 0.97 0.00 0.00 118 A 7.95 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.84 3.78 2.03 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 1.38 1.06 0.95 0.00 0.00 120 K 8.55 3.98 0.00 1.87 2.04 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 121 D 8.38 4.34 0.00 3.00 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 0.00 122 Y 7.98 4.37 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.18 3.71 0.00 2.02 1.69 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.19 3.93 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 125 K 7.94 4.26 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.58 7.81 126 Q 8.62 4.26 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.54 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.00 127 G 7.80 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 0.00 128 R 7.39 4.27 0.00 1.81 2.04 0.00 3.09 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 129 V 7.63 3.73 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 1.02 0.00 0.00 0.92 0.00 0.00 130 E 8.01 3.93 0.00 2.11 1.85 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 2.23 1.97 0.00 131 E 8.18 4.29 0.00 2.01 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 0.00 2.41 2.39 0.00 132 A 7.89 4.03 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 0.00 133 S 8.05 4.20 0.00 4.05 4.11 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 0.00 134 K 7.77 4.14 0.00 1.90 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 135 I 7.21 4.21 1.98 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 1.30 0.92 0.94 0.00 0.00 136 P 0.00 4.45 0.00 2.18 2.04 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 137 D 8.25 4.68 0.00 2.72 2.54 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 0.00 138 C 8.59 4.73 0.00 2.97 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 *139 Y 7.30 4.24 0.00 2.27 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.