NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.5397 8.2033 119.6357 56.0637 31.0233 173.4189 3 T 4.8390 8.7261 120.5724 60.7428 71.6488 171.1890 4 L 5.0102 9.8080 130.3864 53.4474 44.9066 174.5791 5 I 4.7587 8.8587 128.1233 59.7971 39.2935 175.1336 6 I 4.1243 8.7397 130.1991 60.3046 38.1183 175.4634 7 V 4.3463 8.0305 128.9062 61.2086 32.5904 174.6952 8 A 5.0042 8.6490 131.7183 49.7959 18.2185 172.9335 9 H 4.5688 7.8525 119.2410 52.8131 31.9580 172.7753 10 P 4.4281 0.0000 0.0000 64.3006 32.2792 175.9076 11 E 4.7708 8.0369 117.0035 55.1369 29.7782 176.4245 12 L 3.7309 7.9264 123.1109 58.7736 42.9125 178.5677 13 A 4.1006 7.9690 119.9844 54.7052 18.4580 178.2194 14 R 4.2525 7.6379 113.1207 57.1573 30.7684 177.1259 15 S 4.1733 7.4891 113.0819 58.5537 62.6441 173.4743 16 N 4.8679 8.6338 123.3101 54.1762 39.7943 176.5865 17 T 4.3755 8.0092 115.2960 66.6860 69.2093 176.7692 18 Q 4.0068 8.2290 120.4523 58.6124 28.6756 177.1325 19 P 4.1771 0.0000 0.0000 65.9745 31.1203 178.5335 20 F 4.0621 7.9593 114.9564 60.2993 38.8482 177.4311 21 F 3.8786 8.1118 117.0654 59.8720 38.9541 177.5678 22 K 3.6202 8.3141 119.2205 59.4879 31.4324 178.4579 23 A 3.9653 7.7143 120.1645 55.3279 17.9655 179.4798 24 A 3.7761 7.6481 118.3703 54.0277 18.7638 178.6761 25 I 4.6683 7.7067 109.3561 60.7815 38.3803 177.1366 26 E 3.8767 7.4988 120.3731 59.0968 29.3145 177.2688 27 N 4.4787 7.4632 113.0422 52.8216 39.2948 174.7785 28 F 4.8496 7.8311 119.6504 55.8105 38.5063 176.8139 29 S 4.2727 8.6468 121.3579 60.5801 63.2772 175.0835 30 N 4.5674 8.2341 117.4499 53.9145 38.8726 173.9362 31 V 4.6839 7.7305 119.6411 61.7153 33.0030 175.0293 32 T 4.5735 9.1742 125.6377 61.9042 70.2335 173.5231 33 W 4.9260 8.9725 135.0000 56.5795 31.8442 175.3307 34 H 4.7475 8.7241 128.2059 53.3331 30.6512 169.3876 35 P 4.4165 0.0000 0.0000 61.7716 32.1726 176.2779 36 L 4.1440 8.1356 123.8808 54.5829 42.3364 177.0786 37 V 4.3137 8.2781 115.1403 59.4305 33.7472 176.9492 38 A 4.0805 8.7143 125.2374 54.8986 18.7187 178.5035 39 D 4.6127 7.6300 115.4955 52.1385 39.2988 176.4545 40 F 4.3601 7.3174 113.7505 57.9003 38.9638 174.7936 41 N 4.8192 8.6739 119.8541 51.9284 40.4544 175.5880 42 V 3.5959 8.3658 127.5116 66.2261 31.7118 177.3808 43 E 3.8458 8.1772 118.4616 59.2433 29.4853 178.3555 44 Q 3.9426 8.8113 119.8864 59.2427 29.1589 177.9967 45 E 4.0734 8.4279 119.7300 59.6976 29.5692 179.4549 46 Q 3.5806 8.2592 118.2863 58.7388 28.4173 178.6662 47 S 4.1395 8.0248 113.3022 61.6159 62.5809 176.0058 48 L 4.1678 8.0455 121.4466 57.7535 41.1779 179.5212 49 L 4.1503 8.1070 119.0297 57.9217 41.3932 179.5868 50 L 4.1467 8.0791 117.8237 57.4426 41.6296 178.6104 51 Q 4.4116 7.5807 115.4767 55.3645 29.2638 175.1896 52 N 5.1732 7.3678 116.9677 51.6425 42.6436 173.5903 53 D 4.7568 9.0560 120.1668 55.1007 43.4791 176.4896 54 R 4.9885 7.8641 118.8058 54.4229 32.9338 174.4735 55 I 4.8980 8.9577 127.7848 59.7445 39.6920 174.5129 56 I 4.8790 8.9094 128.5543 59.4337 40.0218 174.5947 57 L 4.8033 8.9024 127.7173 53.2601 43.4303 175.0478 58 E 4.9399 8.9731 126.6203 54.3478 31.9119 174.6305 59 F 5.0418 7.9760 120.6061 55.0755 41.5642 171.6819 60 P 4.8102 0.0000 0.0000 61.6510 32.4618 175.5519 61 L 4.4402 8.6958 125.3018 55.2155 42.8425 175.8357 62 Y 4.5695 9.2321 125.7635 56.7792 39.5885 176.3271 63 W 3.9020 9.0062 127.6089 58.1619 26.6902 174.8100 64 Y 3.8951 8.1391 109.8594 58.5256 35.3191 169.4496 65 S 4.7837 8.0669 113.8259 56.5607 66.4181 173.1826 66 A 4.0286 8.2923 123.0848 51.0398 18.8576 176.3521 67 P 4.4681 0.0000 0.0000 62.2728 33.2969 177.6139 68 A 4.0415 8.7339 121.6785 55.4215 18.1888 179.8262 69 L 3.9582 7.9571 118.1917 58.4947 41.9205 178.9745 70 L 3.8696 7.6688 118.2466 57.8768 42.1405 178.2228 71 K 4.0489 7.7336 118.5577 59.4867 32.4340 178.2560 72 Q 4.2569 8.5726 120.2883 58.7476 28.9017 178.4920 73 W 3.6080 8.0445 126.0620 58.3441 30.3253 177.0169 *75 D 4.5845 8.0820 118.7573 53.3175 42.2807 176.4205 76 T 4.3462 7.7340 107.6015 62.6145 70.3543 175.0008 77 V 3.5533 7.4661 122.4663 62.7466 31.4276 175.9690 *79 T 4.1682 7.5933 108.6356 61.4876 71.2953 173.4890 80 T 3.7616 8.2711 118.4335 66.8425 68.2589 176.6258 81 K 3.8926 7.9571 119.8401 59.1899 32.5211 178.0783 82 F 4.6021 8.3525 121.2952 60.3634 39.4795 177.3636 83 A 3.8965 8.3061 120.4740 52.6189 18.7874 177.2523 84 T 2.7565 7.7759 105.8563 59.2666 69.2052 178.1389 85 G 3.7438 8.4390 109.4527 47.2186 0.0000 173.2264 86 H 5.0310 9.0148 117.5411 55.3735 29.6035 173.5023 87 Q 4.2747 8.2667 120.5426 57.4717 31.5128 174.8521 88 Y 3.7104 7.9339 112.9264 57.7201 35.6900 172.5005 89 A 3.8142 7.6784 122.1997 54.4433 19.1927 178.8540 90 L 4.3962 7.4371 113.8446 54.2999 42.4387 175.9633 91 E 4.3402 7.7430 120.9738 57.9419 29.6963 177.2591 92 G 4.0076 9.0555 115.0053 45.3248 0.0000 173.8125 93 K 4.4013 7.7139 118.5589 56.4031 33.1556 176.3840 94 E 4.5504 8.8172 122.1380 55.2580 31.6480 174.9153 95 L 5.1868 8.6426 125.4495 53.3935 44.5215 175.2663 96 G 4.4572 9.2067 113.2026 44.4044 0.0000 171.6129 97 I 4.9526 8.8652 120.5990 59.2823 41.1516 174.8521 98 V 4.4947 8.6911 128.0117 61.0741 33.1393 174.0207 99 V 4.2096 7.9568 128.3573 59.3079 33.5155 174.7688 100 S 5.1478 8.2612 119.7737 56.5631 65.5719 173.1731 101 T 4.6910 8.7662 112.3978 59.9939 71.8581 175.1158 102 G 3.6582 8.8637 111.2931 47.9202 0.0000 174.3998 103 D 4.6183 7.4593 119.1159 53.6998 41.6803 175.7805 104 N 4.4942 8.7551 120.7666 53.5358 39.8014 176.2887 105 G 3.5029 8.7740 113.8182 48.6500 0.0000 175.0166 106 N 4.5110 8.6824 116.1749 55.1110 38.8678 176.1819 107 A 3.9902 8.0822 121.7400 54.3182 19.1968 177.4739 108 F 5.1319 8.0900 117.1454 54.0031 37.7050 174.3889 109 Q 4.7793 7.3064 119.6815 54.7329 31.1946 174.3506 110 A 4.2283 7.9181 121.4721 53.1480 18.7100 178.5437 111 G 3.8113 8.8016 109.2033 45.3706 0.0000 173.0222 112 A 4.5286 7.3742 122.3875 49.7685 21.4100 177.3443 113 A 3.9015 8.5103 121.3256 55.4772 18.2760 178.6787 114 E 4.1673 8.1820 112.9722 55.6549 29.7953 179.1623 115 K 3.7463 7.9534 118.9824 56.6686 31.7096 175.5283 116 F 5.1897 7.8128 116.7846 55.1794 42.2585 174.9238 117 T 5.0252 9.0490 116.6380 60.7896 70.7331 175.9626 118 I 3.6948 8.3956 122.8659 64.7186 37.1671 178.2004 119 S 4.4440 8.2522 114.4550 62.1029 62.7791 176.3914 120 E 4.2344 7.8651 119.4156 59.0917 29.4912 179.8424 121 L 4.3167 7.8654 119.0895 54.7640 42.1241 178.3449 *123 R 4.4000 8.0125 120.4614 55.9407 32.2118 175.2033 124 P 4.2721 0.0000 0.0000 65.6443 31.0609 178.5417 125 F 4.3605 8.0003 116.1595 60.3047 38.9531 177.2312 126 E 2.6160 8.1139 118.3597 58.7831 29.4435 178.4849 127 A 3.9231 8.3194 121.2380 55.0223 18.4110 179.3049 128 F 4.0259 8.3838 118.8385 61.4937 39.3046 177.1013 129 A 3.9619 8.1475 119.0575 55.3089 18.3529 179.0615 130 N 4.3838 8.2372 114.9131 56.3479 38.4109 177.5869 131 K 3.9703 7.9359 120.1266 59.0551 32.3739 177.9610 132 T 4.3489 7.4122 106.8179 59.9474 70.2677 173.6069 133 K 3.4937 7.3773 124.4552 56.8015 29.0499 171.8461 *136 Y 4.9943 7.7997 120.0602 57.2613 39.7064 174.3278 137 L 4.3886 8.5927 127.1455 53.3877 42.9125 175.2388 138 P 4.3894 0.0000 0.0000 62.9388 32.0952 176.2714 139 I 3.8776 8.1351 123.5388 60.9882 38.3458 175.6492 140 L 4.0664 8.3045 129.3483 53.7924 42.3561 174.6174 141 A 4.6198 8.1817 128.4284 50.5629 20.3710 176.3538 142 V 4.0919 8.7838 123.7871 61.6936 32.9905 173.7655 143 H 5.2775 8.7649 125.4595 54.4092 30.7471 175.0631 144 Q 3.4203 9.1393 121.9809 56.4395 28.4618 175.8602 145 F 3.9607 8.5464 120.9237 62.6900 39.4094 176.9411 146 L 3.9274 7.6845 117.4328 57.0429 41.5450 177.4942 147 Y 4.5553 7.3419 114.9732 58.9573 38.3440 176.0340 148 L 4.2098 7.1262 119.7523 54.0083 42.4895 177.3113 149 E 4.1528 8.3129 120.1547 55.3353 31.4379 176.3053 150 P 4.1437 0.0000 0.0000 66.1809 31.3681 178.7439 151 D 4.3020 8.0382 116.8344 56.2501 39.2690 178.3171 152 A 3.9547 7.8269 121.7824 54.9662 18.4810 179.3193 153 Q 3.7388 8.0601 116.7567 59.2702 28.6853 179.2330 154 Q 4.0392 8.2421 119.0405 59.1006 28.8451 179.1859 155 R 3.9517 7.8957 118.7704 59.0222 29.9917 178.8432 156 L 4.0996 7.8442 120.4957 57.9210 42.0647 178.9640 157 L 3.7394 7.9760 119.2247 57.6154 41.5051 179.6035 158 V 3.9026 8.3642 119.5074 65.3366 31.3619 177.9735 159 A 4.0292 8.0180 120.3403 55.2358 18.2170 178.9646 160 Y 4.1494 8.3454 118.1621 60.9893 39.0511 178.1238 161 Q 3.9984 8.4245 119.0375 59.3549 28.8034 179.2032 162 Q 4.0202 8.1187 118.8524 59.0006 28.4904 178.0363 163 Y 4.0458 8.1269 119.9439 60.6708 38.8388 177.7494 164 A 4.0398 7.7220 120.8196 53.7776 18.7691 178.0827 165 T 4.1197 7.1202 104.8631 61.7157 70.5785 174.0994 166 N 4.2715 8.1803 122.4644 52.9026 39.1601 173.8415 167 V 3.8833 8.2563 126.4112 63.4806 32.1421 175.8456 168 G 4.2644 8.6603 114.7125 46.9464 0.0000 172.7101 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.20 4.54 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 3 T 8.73 4.84 4.20 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 1.16 0.00 0.00 4 L 9.81 5.01 0.00 1.90 1.55 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.86 4.76 1.96 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 1.26 0.59 1.02 0.00 0.00 6 I 8.74 4.12 1.35 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.13 -0.19 0.00 0.00 7 V 8.03 4.35 1.49 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 0.84 0.00 0.00 0.45 0.00 0.00 8 A 8.65 5.00 0.97 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 0.00 0.00 9 H 7.85 4.57 0.00 3.05 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.43 0.00 2.32 2.22 0.00 3.56 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 2.18 2.16 0.00 11 E 8.04 4.77 0.00 2.27 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 0.00 2.44 2.30 0.00 12 L 7.93 3.73 0.00 1.86 1.70 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.97 4.10 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 14 R 7.64 4.25 0.00 2.01 2.00 0.00 3.20 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 15 S 7.49 4.17 0.00 3.53 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 16 N 8.63 4.87 0.00 2.79 2.97 0.00 0.00 7.08 7.54 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 17 T 8.01 4.38 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 0.84 0.00 0.00 18 Q 8.23 4.01 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 19 P 0.00 4.18 0.00 2.01 2.00 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 20 F 7.96 4.06 0.00 3.01 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 21 F 8.11 3.88 0.00 2.97 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 22 K 8.31 3.62 0.00 1.28 1.42 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.72 0.21 7.81 23 A 7.71 3.97 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 24 A 7.65 3.78 1.49 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 25 I 7.71 4.67 2.12 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 1.81 1.27 1.02 0.00 0.00 26 E 7.50 3.88 0.00 1.73 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 0.00 2.12 2.33 0.00 27 N 7.46 4.48 0.00 2.24 2.58 0.00 0.00 6.86 7.45 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 28 F 7.83 4.85 0.00 3.21 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 29 S 8.65 4.27 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.23 4.57 0.00 2.87 2.89 0.00 0.00 6.70 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 31 V 7.73 4.68 2.36 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 0.87 0.00 0.00 0.94 0.00 0.00 32 T 9.17 4.57 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 33 W 8.97 4.93 0.00 3.30 3.21 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 34 H 8.72 4.75 0.00 3.17 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.42 0.00 1.81 1.44 0.00 3.49 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 1.69 0.81 0.00 36 L 8.14 4.14 0.00 1.40 1.56 0.28 0.37 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 37 V 8.28 4.31 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 0.78 0.00 0.00 1.00 0.00 0.00 38 A 8.71 4.08 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 39 D 7.63 4.61 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.32 4.36 0.00 3.21 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 41 N 8.67 4.82 0.00 2.81 2.79 0.00 0.00 6.56 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 42 V 8.37 3.60 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 0.86 0.00 0.00 1.04 0.00 0.00 43 E 8.18 3.85 0.00 2.04 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 2.37 2.35 0.00 44 Q 8.81 3.94 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 45 E 8.43 4.07 0.00 2.07 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 0.00 2.77 2.63 0.00 46 Q 8.26 3.58 0.00 1.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 47 S 8.02 4.14 0.00 3.91 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 48 L 8.05 4.17 0.00 1.93 1.71 0.67 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.11 4.15 0.00 2.13 1.97 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.08 4.15 0.00 1.90 1.81 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.58 4.41 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 52 N 7.37 5.17 0.00 2.75 2.70 0.00 0.00 6.83 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.06 4.76 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 132 T 7.41 4.35 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 0.39 0.00 0.00 133 K 7.38 3.49 0.00 1.99 1.85 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.27 1.33 7.81 *136 Y 7.80 4.99 0.00 2.93 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 0.00 137 L 8.59 4.39 0.00 1.41 1.52 0.44 0.83 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 0.00 138 P 0.00 4.39 0.00 1.98 2.00 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 139 I 8.14 3.88 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.33 0.83 0.00 0.00 140 L 8.30 4.07 0.00 0.42 0.90 0.76 0.77 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 0.00 141 A 8.18 4.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.78 4.09 1.76 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 1.02 0.00 0.00 0.69 0.00 0.00 143 H 8.76 5.28 0.00 3.10 3.43 0.00 6.10 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 9.14 3.42 0.00 2.65 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 145 F 8.55 3.96 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.68 3.93 0.00 1.31 1.52 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 7.34 4.56 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.13 4.21 0.00 1.37 1.43 0.86 0.94 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 0.00 149 E 8.31 4.15 0.00 1.96 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 2.37 2.36 0.00 150 P 0.00 4.14 0.00 2.12 2.11 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 151 D 8.04 4.30 0.00 2.93 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 0.00 152 A 7.83 3.95 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 0.00 153 Q 8.06 3.74 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 154 Q 8.24 4.04 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 155 R 7.90 3.95 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 156 L 7.84 4.10 0.00 2.00 1.95 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.98 3.74 0.00 1.89 1.62 1.01 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.36 3.90 2.24 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 1.17 0.00 0.00 1.04 0.00 0.00 159 A 8.02 4.03 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 0.00 160 Y 8.35 4.15 0.00 3.24 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 0.00 161 Q 8.42 4.00 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.89 2.82 0.00 162 Q 8.12 4.02 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 163 Y 8.13 4.05 0.00 2.97 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 0.00 164 A 7.72 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 165 T 7.12 4.12 3.75 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 0.14 0.00 0.00 166 N 8.18 4.27 0.00 2.80 2.71 0.00 0.00 6.70 8.51 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 0.00 167 V 8.26 3.88 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 0.80 0.00 0.00 0.88 0.00 0.00 168 G 8.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.