NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3693 8.3044 120.3487 54.9983 34.0690 175.5845 2 Q 4.2652 8.0073 116.8548 55.2651 29.8693 173.7829 3 H 4.3712 8.2561 115.8566 57.9202 31.3432 174.2998 4 L 3.9194 7.7498 121.6071 55.1690 42.4262 175.6837 5 D 4.7553 8.4545 125.4141 52.5276 42.7572 176.2803 6 I 3.5480 8.2171 127.8105 63.8119 38.1468 177.2751 7 A 3.9986 7.8454 121.9369 55.4470 18.2148 179.5688 8 E 3.9771 8.2583 116.4390 59.2435 29.5229 179.1699 9 L 3.9609 7.8272 120.5841 57.9078 42.0111 179.2445 10 V 3.7745 7.8845 118.2846 66.0017 31.4405 178.0997 11 R 3.9252 8.0169 117.8240 59.4154 29.4630 178.7972 12 S 4.2491 8.5221 112.9075 61.5802 62.5265 176.1252 13 A 4.3066 8.3676 123.4212 55.1051 18.0576 179.6342 14 L 4.0617 8.2647 117.6207 57.9956 41.7271 179.3473 15 E 4.1356 8.4894 119.0987 59.5989 29.3290 179.6544 16 V 3.8839 7.7731 115.9655 63.3484 31.7932 177.2501 17 S 4.6596 7.4439 113.8612 58.0119 63.0338 174.4608 18 G 3.8246 8.0442 109.9183 46.1303 0.0000 173.4835 19 C 4.6716 7.8364 117.6173 57.8072 31.7207 173.8281 20 D 4.4142 8.5832 124.8696 55.3483 38.6396 178.9519 *31 S 4.2757 8.9757 107.0000 57.9693 64.3183 173.2116 32 T 3.9667 8.4560 119.2000 64.0772 68.9486 173.1215 33 I 4.1862 9.0441 127.1141 60.2897 38.8022 175.0198 34 V 4.3233 8.3422 127.8670 61.6059 32.3039 175.2013 35 L 4.3736 8.7849 132.7611 54.0124 42.8849 174.8423 36 D 5.0032 8.7138 127.1890 52.5972 42.3966 174.9492 37 L 4.7363 8.1570 125.2796 52.0716 44.3165 176.0910 38 F 4.1562 8.7167 122.2715 59.7806 39.5552 174.4941 39 A 3.3283 7.9587 128.1713 52.4724 16.0320 176.4842 40 L 4.6991 7.2143 116.3352 52.9892 45.0304 175.1354 41 P 4.5256 0.0000 0.0000 62.4586 32.1183 176.1853 42 S 4.7017 8.4857 116.3098 58.7869 63.3681 173.6187 43 I 4.6830 8.6340 116.8281 59.2536 41.4739 173.7252 44 C 4.8890 8.3074 120.1535 57.7526 31.2784 173.2381 45 I 5.1784 8.7196 123.3546 59.5954 40.1997 174.7382 46 S 5.0867 9.4673 120.6630 56.8211 67.0283 172.8035 47 V 4.8714 8.4925 121.1375 61.3048 33.1309 175.0552 48 K 4.4609 9.3446 128.5930 55.7891 34.7325 175.7115 49 D 4.4958 9.8272 127.4912 55.7470 38.2557 174.4776 50 D 4.7554 8.3886 116.0455 54.4137 39.4458 174.4557 51 D 4.6186 8.1765 120.4803 52.9220 42.3238 175.1763 52 V 4.8364 8.0323 123.0824 61.1607 33.6911 174.1857 53 W 5.4277 9.4613 127.9524 55.0468 32.3606 174.6976 54 I 5.1654 8.8032 124.3265 59.3866 39.8089 174.7232 55 W 5.9342 8.7933 121.8667 56.6967 32.1821 172.8838 56 A 4.8049 8.6526 119.7699 50.9884 21.9408 176.1013 57 Q 4.7389 8.7587 119.1525 55.9109 29.6627 176.2979 58 L 4.5880 8.5551 119.2739 54.0638 42.7467 175.9974 59 G 4.1419 8.2942 105.6314 43.2520 0.0000 175.1094 60 A 4.0803 8.7609 123.3391 54.6842 18.4660 178.6125 61 D 4.9964 7.8925 113.1266 53.0791 40.0336 178.2469 62 S 4.1999 8.1246 118.6171 62.4312 62.4343 176.0595 63 M 4.1093 8.0191 121.6795 57.7791 31.5590 178.7121 64 V 3.5112 7.7103 118.9148 65.9397 31.7187 178.3271 65 V 3.6524 7.7374 117.4845 65.3871 30.8956 177.3407 66 L 3.9474 8.0683 120.6156 58.3483 41.6496 178.7472 67 Q 4.0071 7.3651 117.3649 59.4244 29.0728 177.8736 68 Q 4.2119 7.8060 119.2198 58.1783 29.3020 176.6231 69 R 5.1021 8.4967 117.8321 54.1873 31.6946 177.4246 70 A 4.0488 7.9847 121.2834 55.6585 18.2476 179.5954 71 Y 3.9771 8.0366 117.1150 60.9949 38.8915 177.7899 72 E 3.8673 8.3533 118.9202 59.6019 29.5969 179.4583 73 I 3.7680 7.9530 119.7193 64.2518 37.1674 178.2204 74 L 3.9733 8.4587 121.5567 58.4796 41.6677 178.8901 75 M 3.8863 7.9274 118.0344 58.6011 32.1331 178.6510 76 T 3.9693 7.6281 115.9297 66.5535 68.6743 176.7593 77 I 3.8661 7.9093 121.7975 64.8717 37.0061 178.1516 78 M 4.2652 8.0292 117.2406 57.3210 31.8421 177.3834 79 E 3.9588 7.8440 118.0883 57.3507 29.9162 177.4771 80 G 3.8084 9.4385 104.4295 45.2947 0.0000 172.5896 81 C 3.9995 8.3468 118.3132 58.3122 33.4788 174.3099 82 H 4.2969 8.6335 125.8133 58.3458 28.6702 176.3826 83 F 3.9092 7.2695 112.1103 56.4174 38.6479 175.0130 84 A 4.7329 6.9158 125.5364 50.7024 19.7546 177.1336 85 R 4.1690 8.6053 121.1424 58.0216 30.4542 177.8719 86 G 3.8120 8.9239 110.4243 44.8324 0.0000 174.1677 87 G 3.8497 8.8677 107.7077 45.6051 0.0000 172.8266 88 Q 4.5344 7.4173 118.5935 53.8529 32.0608 174.3960 89 L 4.3168 8.1358 124.5131 54.8345 42.7101 176.1274 90 L 4.8491 9.0752 121.0652 53.0623 45.1656 175.3247 91 L 5.0238 8.4439 121.2268 53.5483 43.6407 176.2062 92 G 4.1428 8.6690 109.7704 43.9111 0.0000 170.3503 93 E 5.1293 8.4833 119.4120 54.6833 32.7644 175.1590 94 Q 4.4143 8.9906 126.5357 55.8143 32.2173 174.1719 95 N 4.2631 9.9574 121.3117 54.4232 36.2557 175.3036 96 G 3.9556 8.5436 103.6485 45.5856 0.0000 173.8022 97 E 4.7210 7.9243 119.4472 53.6864 32.1733 175.1759 98 L 4.6213 8.6833 125.0877 55.6650 43.1558 175.8349 99 T 5.2063 8.8427 115.6762 59.8697 72.2688 172.3599 100 L 4.8283 8.7238 125.6294 53.5852 44.2392 175.2487 101 K 5.5138 9.4647 125.1262 54.6549 36.5449 174.9206 102 A 5.0133 9.7601 125.9276 50.0002 21.9536 175.0563 103 L 3.6930 8.2879 125.5529 53.8686 42.9443 175.9338 104 V 4.2601 8.4865 128.5715 62.7772 32.1612 175.3806 105 H 4.2522 9.2662 128.7993 55.7268 30.5149 174.5040 106 P 4.3536 0.0000 0.0000 65.6689 31.4329 178.1939 107 D 4.3504 8.5641 116.8259 56.7105 40.4702 177.0382 108 F 4.7430 8.8339 117.1490 57.2060 39.0406 176.5519 109 L 4.8573 7.8969 119.0636 54.4640 42.2429 177.7379 110 S 4.2397 8.1531 114.8836 60.9570 63.5148 173.7191 111 D 4.5905 7.5254 119.2004 51.4675 42.6551 176.4679 112 G 3.7755 8.3480 107.0198 47.2703 0.0000 175.7212 113 E 4.0141 8.2660 120.3003 59.3139 29.7801 179.2110 114 K 4.0290 8.8767 118.8511 59.7274 32.0910 179.2583 115 F 4.6002 8.8963 122.4647 60.6711 39.2359 177.2959 116 S 4.0540 8.4226 114.1643 61.6956 62.5901 176.7648 117 T 3.8057 7.8551 119.1275 66.1889 68.0978 176.5345 118 A 2.6334 7.6413 122.1926 54.5889 18.3060 179.6546 119 L 3.5138 7.4361 117.5841 57.9141 41.7134 179.2194 120 N 4.5322 8.6210 116.8863 56.6292 38.5416 177.6389 121 G 3.6841 8.0387 106.8693 47.6815 0.0000 175.4059 122 F 4.2914 8.1455 123.4108 61.4622 39.4439 176.7967 123 Y 4.3192 8.1507 116.2940 61.0945 37.7243 178.5535 124 N 4.3040 8.3032 117.3511 56.6749 38.6704 177.0553 125 Y 4.0692 8.0610 118.0623 60.9667 37.8699 178.4881 126 L 3.9052 8.2827 121.6732 58.0514 42.1224 178.6458 127 E 3.9259 8.3308 119.2692 59.1947 29.7049 178.8342 128 V 3.4556 7.5951 117.7920 66.2558 31.3352 178.1240 129 F 3.9942 8.2552 116.1044 60.3654 39.1292 177.5500 130 S 4.3463 8.5936 115.4021 61.8281 62.3013 176.9966 131 R 3.9642 8.0126 120.6385 59.3419 29.5703 179.2442 132 S 4.2901 7.8029 113.3102 60.3066 62.8569 175.4546 133 L 4.6545 7.3347 118.9882 53.5436 42.5877 176.2957 134 M 4.3349 7.2895 119.2430 55.0003 32.6262 176.6045 135 R 4.2043 8.3072 118.7459 56.4468 29.7814 174.7850 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 4.37 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 Q 8.01 4.27 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 3 H 8.26 4.37 0.00 3.12 3.27 0.00 5.98 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.75 3.92 0.00 1.60 1.72 0.83 1.06 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 5 D 8.45 4.76 0.00 2.70 2.49 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 6 I 8.22 3.55 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.00 0.91 0.00 0.00 7 A 7.85 4.00 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 8 E 8.26 3.98 0.00 2.09 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 2.39 2.30 0.00 9 L 7.83 3.96 0.00 1.74 1.47 0.90 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.77 2.26 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 1.13 0.00 0.00 1.13 0.00 0.00 11 R 8.02 3.93 0.00 2.08 1.99 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 12 S 8.52 4.25 0.00 3.98 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 13 A 8.37 4.31 1.60 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 14 L 8.26 4.06 0.00 1.91 1.76 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.49 4.14 0.00 2.18 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 2.35 2.50 0.00 16 V 7.77 3.88 2.26 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 0.87 0.00 0.00 1.07 0.00 0.00 17 S 7.44 4.66 0.00 4.12 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 18 G 8.04 3.82 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 0.00 0.00 0.00 19 C 7.84 4.67 0.00 3.00 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 20 D 8.58 4.41 0.00 2.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.98 4.28 0.00 3.94 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 32 T 8.46 3.97 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 33 I 9.04 4.19 1.95 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 1.12 0.63 0.91 0.00 0.00 34 V 8.34 4.32 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 0.70 0.00 0.00 0.84 0.00 0.00 35 L 8.78 4.37 0.00 1.78 1.56 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.71 5.00 0.00 2.67 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 37 L 8.16 4.74 0.00 1.71 1.58 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.72 4.16 0.00 2.93 2.98 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 39 A 7.96 3.33 0.64 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 40 L 7.21 4.70 0.00 1.39 1.20 0.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.53 0.00 2.28 2.11 0.00 3.86 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 2.26 2.12 0.00 42 S 8.49 4.70 0.00 3.78 3.82 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 43 I 8.63 4.68 1.63 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.93 0.00 0.00 44 C 8.31 4.89 0.00 1.23 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 45 I 8.72 5.18 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 1.10 0.00 0.00 46 S 9.47 5.09 0.00 4.09 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 4.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 48 K 9.34 4.46 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.41 7.81 49 D 9.83 4.50 0.00 2.89 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 50 D 8.39 4.76 0.00 2.86 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 51 D 8.18 4.62 0.00 2.96 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 0.00 0.00 0.00 0.00 52 V 8.03 4.84 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 1.05 0.00 0.00 0.89 0.00 0.00 53 W 9.46 5.43 0.00 3.49 3.24 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 0.00 54 I 8.80 5.17 1.45 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 -0.15 0.00 0.00 55 W 8.79 5.93 0.00 3.57 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 56 A 8.65 4.80 1.39 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 57 Q 8.76 4.74 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 58 L 8.56 4.59 0.00 1.75 1.71 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.76 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.89 5.00 0.00 2.82 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 62 S 8.12 4.20 0.00 4.13 4.37 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 63 M 8.02 4.11 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.69 0.00 64 V 7.71 3.51 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 1.00 0.00 0.00 0.94 0.00 0.00 65 V 7.74 3.65 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 1.12 0.00 0.00 0.95 0.00 0.00 66 L 8.07 3.95 0.00 1.94 1.88 0.96 0.48 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 67 Q 7.37 4.01 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 68 Q 7.81 4.21 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 69 R 8.50 5.10 0.00 1.97 1.88 0.00 3.35 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 70 A 7.98 4.05 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 71 Y 8.04 3.98 0.00 3.09 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 72 E 8.35 3.87 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 73 I 7.95 3.77 2.12 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 1.53 0.66 1.12 0.00 0.00 74 L 8.46 3.97 0.00 1.78 1.79 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 M 7.93 3.89 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 76 T 7.63 3.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 77 I 7.91 3.87 2.09 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 1.52 1.44 0.90 0.00 0.00 78 M 8.03 4.27 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 79 E 7.84 3.96 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 2.54 2.38 0.00 80 G 9.44 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 0.00 0.00 0.00 81 C 8.35 4.00 0.00 2.03 2.21 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 82 H 8.63 4.30 0.00 3.27 3.41 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.27 3.91 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 6.92 4.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 4.17 0.00 1.63 1.84 0.00 3.29 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 86 G 8.92 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 0.00 0.00 0.00 87 G 8.87 3.85 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 0.00 0.00 0.00 88 Q 7.42 4.53 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.97 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 89 L 8.14 4.32 0.00 1.35 1.39 0.46 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 90 L 9.08 4.85 0.00 1.62 1.57 1.17 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.44 5.02 0.00 1.48 1.54 0.92 0.63 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 92 G 8.67 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.48 5.13 0.00 1.85 1.73 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 2.16 2.45 0.00 94 Q 8.99 4.41 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.01 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 95 N 9.96 4.26 0.00 2.91 2.88 0.00 0.00 7.11 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 96 G 8.54 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 97 E 7.92 4.72 0.00 2.16 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 2.32 2.38 0.00 98 L 8.68 4.62 0.00 1.78 1.56 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.84 5.21 4.50 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 1.33 0.00 0.00 100 L 8.72 4.83 0.00 1.65 1.62 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.46 5.51 0.00 1.91 1.93 0.00 1.00 0.00 0.00 1.26 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.36 7.81 102 A 9.76 5.01 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 0.00 103 L 8.29 3.69 0.00 0.54 1.14 -0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.49 4.26 2.21 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 1.03 0.00 0.00 1.14 0.00 0.00 105 H 9.27 4.25 0.00 3.37 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.35 0.00 2.17 2.07 0.00 2.97 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 107 D 8.56 4.35 0.00 2.63 2.43 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 0.00 108 F 8.83 4.74 0.00 3.35 3.19 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 0.00 109 L 7.90 4.86 0.00 1.73 1.61 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.15 4.24 0.00 3.96 3.97 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 0.00 111 D 7.53 4.59 0.00 2.93 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 0.00 112 G 8.35 3.78 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 0.00 0.00 0.00 113 E 8.27 4.01 0.00 2.20 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 2.43 2.37 0.00 114 K 8.88 4.03 0.00 2.01 1.94 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.52 7.81 115 F 8.90 4.60 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 116 S 8.42 4.05 0.00 4.12 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 0.00 117 T 7.86 3.81 4.65 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 1.39 0.00 0.00 118 A 7.64 2.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.44 3.51 0.00 1.65 1.65 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.62 4.53 0.00 2.73 2.91 0.00 0.00 7.00 8.26 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 0.00 121 G 8.04 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 0.00 122 F 8.15 4.29 0.00 3.15 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 0.00 123 Y 8.15 4.32 0.00 3.28 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 0.00 124 N 8.30 4.30 0.00 2.89 2.68 0.00 0.00 7.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.06 4.07 0.00 2.98 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 0.00 126 L 8.28 3.91 0.00 1.30 1.81 0.97 1.05 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 0.00 127 E 8.33 3.93 0.00 2.14 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 0.00 2.28 2.33 0.00 128 V 7.60 3.46 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 0.65 0.00 0.00 0.79 0.00 0.00 129 F 8.26 3.99 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 130 S 8.59 4.35 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 0.00 131 R 8.01 3.96 0.00 1.97 1.94 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 132 S 7.80 4.29 0.00 3.95 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 0.00 133 L 7.33 4.65 0.00 1.78 1.72 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.29 4.33 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.47 0.00 135 R 8.31 4.20 0.00 1.85 1.83 0.00 3.07 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.