NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9845 8.1976 109.7415 46.0419 0.0000 175.2545 2 T 3.9323 7.6165 111.3087 62.5568 69.3205 173.5020 3 E 4.2681 9.0928 123.0982 59.5707 29.9413 179.8115 4 N 4.5453 8.0192 116.8159 55.9877 38.5468 177.2774 5 L 4.0557 7.9032 121.5581 58.0847 42.0261 178.1999 6 Y 3.9999 8.3661 119.2549 60.8083 38.8652 177.8036 7 F 3.9078 8.1806 117.4955 60.3466 39.3119 177.0406 8 Q 4.3020 8.4537 119.4819 59.0321 28.7953 179.3975 9 G 3.4618 8.1409 104.0757 45.5217 0.0000 175.2816 *11 S 4.4193 8.0572 119.0506 58.3241 65.1044 176.0087 12 D 4.3273 8.1281 120.0654 57.3354 40.3779 179.1011 13 V 3.5276 7.7510 118.5731 65.9404 31.5413 178.0547 14 I 3.8040 7.6224 118.9583 64.6944 37.0442 178.2101 15 E 4.1197 8.4398 119.4941 59.1757 29.2085 179.7016 16 G 3.6037 8.4190 106.2451 47.9105 0.0000 175.9659 17 R 4.6717 8.2689 122.3160 58.3316 30.1403 178.9668 18 L 4.0239 7.9746 120.1805 58.1709 42.1326 179.0644 19 K 4.2725 8.1522 119.7992 59.0724 32.0240 179.0702 20 E 3.9921 8.4190 118.7274 59.2803 29.1681 178.8495 21 L 4.3565 7.5829 116.6121 55.4743 41.8832 177.8042 22 G 3.8380 8.0246 107.4763 44.8672 0.0000 173.2325 23 F 4.9349 8.2624 118.1863 55.4924 41.5710 174.7386 24 T 4.6667 8.2462 113.8338 59.5813 70.9242 174.1904 25 L 4.1906 8.2457 123.4405 53.8944 42.3244 175.5967 26 P 4.6627 0.0000 0.0000 61.9103 33.7875 179.6816 27 V 3.6233 8.2626 117.9906 63.8628 30.2809 178.7731 *33 A 4.0556 8.8177 121.4596 51.6685 19.3454 177.9499 34 N 4.5341 8.6045 115.6522 54.8192 38.9427 175.2227 35 Y 4.8934 7.0550 113.1384 54.9848 39.7362 175.3669 36 V 4.3860 7.8897 113.8365 58.5672 35.0192 174.9882 37 P 4.6948 0.0000 0.0000 65.7464 32.1024 175.7159 38 F 5.5616 6.7871 109.9428 56.2167 40.8927 173.5766 39 T 4.9663 9.2098 109.5693 60.1678 72.5509 172.5012 40 I 5.1671 8.5126 122.5022 59.7134 40.5169 175.1961 41 S 4.5175 9.0117 120.6205 57.2385 65.4862 173.6850 42 G 3.8509 8.4706 118.5489 47.2893 0.0000 173.3158 43 N 4.9303 8.7747 120.4985 52.1335 37.6365 173.1526 44 L 5.0784 7.9948 119.2937 53.6169 44.5141 175.0650 45 L 5.0305 9.0827 126.5282 53.6846 44.3066 174.4422 46 Y 4.8107 9.2827 125.2877 56.6237 39.7335 174.7537 47 V 4.9095 8.7000 125.5463 61.0671 33.6132 175.6199 48 S 4.4832 9.2590 124.5905 58.1367 63.7786 174.3951 49 G 3.9658 8.7542 109.0444 46.7327 0.0000 172.6090 50 Q 4.8750 9.2593 124.9841 54.3761 31.2722 175.3473 51 L 5.0356 8.3902 122.7178 52.4081 44.4884 174.1323 52 P 4.4067 0.0000 0.0000 62.4472 33.2270 175.0944 *54 E 4.1866 8.5731 121.8084 57.3284 30.4596 175.7790 55 S 3.5712 9.7575 122.6119 59.7806 60.4326 173.5081 56 G 3.9627 8.5125 106.3259 45.4499 0.0000 173.8912 57 K 4.5603 7.5071 117.7849 54.0229 35.4206 176.1686 58 I 3.9914 8.1491 121.8280 61.0932 36.7493 176.3037 59 A 4.1342 8.7960 130.4005 54.0742 18.7544 177.6592 60 V 4.3660 7.6085 115.6723 61.5633 34.0058 173.9199 61 T 4.9264 8.4681 116.3913 60.5500 71.5370 173.9590 62 G 3.8822 8.9787 109.2046 44.8162 0.0000 172.2422 63 L 4.5369 8.6512 118.6682 53.4214 42.6589 177.1434 64 V 3.7190 8.6140 124.6653 64.0283 31.6940 176.8391 65 G 4.0550 8.9650 116.0776 45.3440 0.0000 172.8455 66 R 4.3885 7.3725 116.2734 57.5239 31.9102 175.6329 67 D 4.6690 8.5625 116.6597 55.3182 41.9616 177.5078 68 V 4.4322 7.2193 110.8899 58.6717 35.6888 174.6706 69 D 5.0494 8.1982 123.0689 51.9658 42.6733 177.6951 70 V 3.5704 8.1792 117.3891 66.1630 31.5727 177.4965 71 A 4.3274 7.8851 121.2760 54.8076 18.2999 179.6015 72 S 4.0729 8.8329 113.7912 61.7479 62.8352 176.8071 73 A 4.0181 8.1780 123.4846 55.2463 17.8181 179.6446 74 Q 4.1233 8.6496 117.0238 59.1730 28.6949 179.1190 75 R 4.4941 8.2712 120.4052 58.7202 30.0586 178.2108 76 A 3.9792 8.1414 120.4734 55.3720 18.3668 179.5254 77 A 3.9434 8.3412 119.4017 55.1913 18.4319 179.6311 78 E 3.7442 8.3871 117.2902 59.6035 29.5136 179.6639 79 L 3.8517 8.0586 118.9932 57.7832 41.5665 179.1691 80 C 4.1613 8.4088 116.9021 63.0081 28.0533 176.1597 81 A 3.8927 8.0258 122.1445 55.0840 17.9078 179.8796 82 V 3.3921 7.6709 116.8654 66.1388 31.5897 178.1142 83 N 4.3725 8.3310 116.4097 56.0876 38.3014 177.3881 84 I 3.6848 8.0059 121.6154 64.5506 37.1773 178.4257 85 L 3.9220 8.1081 119.5417 57.6083 41.3531 179.4369 86 A 3.9821 8.1177 120.7308 55.2914 18.2977 179.7269 87 Q 4.0041 8.0274 116.4216 59.0858 28.8352 179.1423 88 V 3.3390 7.8599 119.3134 65.7017 31.4708 177.8292 89 K 3.8054 8.3050 119.4476 59.4312 32.0921 178.3462 90 A 3.9515 8.0546 120.6772 55.3752 18.1331 179.3093 91 A 3.4519 7.4398 117.9312 54.5311 18.1774 178.8221 92 L 4.4165 7.7352 115.5624 53.6092 42.2799 176.5006 93 N 3.9328 9.1708 114.3823 54.4858 36.4592 175.4054 94 G 3.9881 8.8530 105.5648 45.2780 0.0000 174.2733 95 D 4.8665 7.5457 119.7866 51.5750 41.0140 176.0449 96 L 4.0634 8.0259 123.7842 56.6788 42.1992 179.6139 97 S 4.2272 7.7858 112.1795 60.5878 63.0604 175.1533 98 K 4.4715 8.3012 120.0061 56.6038 31.9515 176.4105 99 I 3.9181 7.5237 121.4382 61.6390 37.2922 175.9879 100 R 4.3160 8.9401 125.7806 58.5412 31.0571 177.3951 101 R 4.6773 7.4662 116.7632 55.1151 33.5676 173.9555 102 V 4.0563 8.7810 127.3444 62.9281 31.9945 176.5807 103 I 3.8647 8.7478 130.2495 63.9488 38.1274 176.3175 104 K 5.1227 7.7187 121.3520 55.1196 35.8515 174.0260 105 L 5.1382 8.7004 126.4864 52.9819 45.0631 175.0406 106 N 4.6415 8.9212 121.1005 51.4988 40.8392 174.0509 107 G 3.9206 8.6417 112.9138 44.5270 0.0000 171.9409 108 F 5.4826 8.9349 126.3633 55.7440 41.5271 175.0788 109 V 4.8430 8.8431 124.9216 60.6452 33.9336 174.5235 110 A 4.4562 9.2317 131.2913 52.3562 19.0910 176.2627 111 S 5.1050 8.5100 117.8844 56.9545 66.9323 174.8572 112 V 4.0112 8.3475 116.3729 60.5516 32.2755 175.9208 113 P 4.4186 0.0000 0.0000 65.1585 31.3650 177.6425 114 E 4.1843 8.1195 116.1604 57.4387 29.9227 176.2261 115 F 4.5974 7.9301 122.2851 57.7233 39.8473 175.5153 116 V 4.5475 7.1372 120.1307 60.2088 33.2940 175.2741 117 E 4.5721 5.9000 117.8327 55.7441 30.3680 178.5835 118 Q 4.2815 8.0107 120.3058 59.1301 28.8542 177.6046 119 H 4.2985 8.3740 116.0852 58.8489 28.2431 177.5780 120 L 4.1235 7.3666 120.2302 57.1536 41.7870 179.1531 121 V 3.7853 7.8121 118.2101 66.3164 31.5185 178.3484 122 I 3.8226 8.0297 119.2153 64.0237 36.8087 177.8892 123 N 4.3446 8.3862 117.9409 56.1992 38.0636 177.0931 124 G 3.8066 8.1308 106.9683 47.9857 0.0000 175.5563 125 A 3.9611 7.8455 122.9057 54.8361 18.6334 179.6491 126 S 4.1489 8.2811 113.9671 61.9265 62.8218 176.8410 127 N 4.3557 8.6035 119.5279 56.0497 38.2953 177.2321 128 L 3.9234 7.6125 121.5930 58.2124 42.2204 178.9420 129 I 3.6265 7.9030 119.5908 64.5087 37.0601 178.3206 130 A 4.0199 8.1169 121.3805 55.3438 17.9431 179.7969 131 T 3.7927 7.9622 113.5893 67.0053 68.6950 176.9662 132 V 3.8696 7.7172 112.2298 63.0641 31.8202 177.6400 133 L 4.4609 7.8345 116.9236 54.6684 43.1408 178.9519 134 G 3.7248 8.6641 108.0485 45.9214 0.0000 175.6586 135 E 3.8937 8.8169 119.7975 58.8145 29.9591 177.5841 136 P 4.3568 0.0000 0.0000 64.9768 31.5059 178.1414 137 G 3.6745 7.9851 106.1973 46.9768 0.0000 174.1540 138 R 4.0968 7.8101 120.7014 56.2085 30.4898 175.4986 139 H 5.3165 8.1906 116.8240 52.2349 32.1477 172.9207 140 A 4.3320 8.6142 121.3889 52.5222 19.6509 176.3636 141 R 5.5779 8.3661 116.8548 56.1210 33.1488 173.8628 142 A 4.9414 8.5166 124.8606 50.0827 22.8762 174.8264 143 A 5.0430 8.4326 120.9755 50.4942 21.8793 175.9712 144 V 4.5506 8.9213 115.0544 59.9608 36.6853 174.9339 145 G 4.6107 8.6734 109.5839 44.4728 0.0000 173.4324 *147 A 4.4605 8.4844 122.3492 51.5236 20.3508 176.8492 148 S 4.6517 7.1898 107.1910 58.4442 64.8764 175.6349 149 L 4.8112 7.4202 119.0491 51.9588 45.7521 174.3595 150 P 4.1667 0.0000 0.0000 64.5878 31.6577 176.7860 151 F 3.6089 8.7418 118.2931 57.9134 36.6246 174.6626 152 N 4.1740 8.2733 116.6703 54.1338 37.7221 173.7370 153 A 4.4685 7.9272 118.1549 52.6199 19.0938 178.9743 154 S 4.6086 8.5187 116.6194 59.9968 64.2068 174.5987 155 V 5.0349 7.6211 117.5480 61.1644 34.5073 174.0870 156 E 5.0892 9.6619 127.2948 54.6612 33.4109 174.1933 157 I 5.5282 9.1270 126.1259 58.6078 41.6805 174.3140 158 D 5.3656 8.6280 124.9125 51.8545 43.0403 174.3519 159 A 5.1899 8.4586 118.7182 50.6779 23.2676 175.2140 160 I 4.6239 8.7484 120.9969 59.3241 40.6828 174.9626 161 V 4.7231 8.5881 126.4218 60.9052 34.8910 173.8473 162 E 4.7885 9.4337 129.8558 55.6964 30.9238 176.3178 163 I 4.7432 8.4901 119.9458 60.0025 37.4161 175.1635 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 G 8.20 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 0.00 0.00 0.00 2 T 7.62 3.93 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 1.24 0.00 0.00 3 E 9.09 4.27 0.00 2.09 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 2.43 2.41 0.00 4 N 8.02 4.55 0.00 2.91 2.90 0.00 0.00 6.57 6.63 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 5 L 7.90 4.06 0.00 1.81 1.94 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.37 4.00 0.00 3.04 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 7 F 8.18 3.91 0.00 3.08 3.41 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 8 Q 8.45 4.30 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 G 8.14 3.46 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 *11 S 8.06 4.42 0.00 4.04 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 12 D 8.13 4.33 0.00 2.87 2.69 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 0.00 0.00 0.00 0.00 13 V 7.75 3.53 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 1.07 0.00 0.00 0.90 0.00 0.00 14 I 7.62 3.80 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.33 0.93 0.00 0.00 15 E 8.44 4.12 0.00 2.00 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 2.32 2.50 0.00 16 G 8.42 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 17 R 8.27 4.67 0.00 2.03 2.00 0.00 3.22 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 18 L 7.97 4.02 0.00 1.80 1.90 0.94 0.48 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 19 K 8.15 4.27 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 20 E 8.42 3.99 0.00 2.24 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 2.33 2.50 0.00 21 L 7.58 4.36 0.00 2.02 1.95 0.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.02 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 0.00 0.00 0.00 23 F 8.26 4.93 0.00 3.09 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 24 T 8.25 4.67 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 25 L 8.25 4.19 0.00 1.67 1.65 0.95 1.03 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 26 P 0.00 4.66 0.00 2.18 2.07 0.00 3.79 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 1.99 1.95 0.00 27 V 8.26 3.62 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 0.80 0.00 0.00 0.94 0.00 0.00 *33 A 8.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.60 4.53 0.00 2.81 2.94 0.00 0.00 6.73 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 35 Y 7.06 4.89 0.00 3.11 2.84 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 36 V 7.89 4.39 1.81 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 0.76 0.00 0.00 0.89 0.00 0.00 37 P 0.00 4.69 0.00 2.45 2.39 0.00 3.14 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 38 F 6.79 5.56 0.00 3.14 3.08 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 39 T 9.21 4.97 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 1.22 0.00 0.00 40 I 8.51 5.17 1.98 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 1.32 0.88 0.99 0.00 0.00 41 S 9.01 4.52 0.00 3.81 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 42 G 8.47 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 43 N 8.77 4.93 0.00 3.12 3.02 0.00 0.00 5.79 6.67 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 44 L 7.99 5.08 0.00 1.90 1.60 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.08 5.03 0.00 1.68 1.64 0.90 0.60 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 46 Y 9.28 4.81 0.00 3.00 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 47 V 8.70 4.91 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 1.04 0.00 0.00 0.96 0.00 0.00 48 S 9.26 4.48 0.00 3.97 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 49 G 8.75 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 0.00 0.00 0.00 50 Q 9.26 4.87 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 51 L 8.39 5.04 0.00 1.52 1.63 1.09 1.17 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 52 P 0.00 4.41 0.00 2.13 2.36 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 *54 E 8.57 4.19 0.00 2.10 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 2.30 2.40 0.00 55 S 9.76 3.57 0.00 4.03 3.91 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 56 G 8.51 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 57 K 7.51 4.56 0.00 1.72 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.54 7.81 58 I 8.15 3.99 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.99 0.00 0.00 59 A 8.80 4.13 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 60 V 7.61 4.37 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 1.04 0.00 0.00 0.95 0.00 0.00 61 T 8.47 4.93 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 1.31 0.00 0.00 62 G 8.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 71 A 7.89 4.33 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 72 S 8.83 4.07 0.00 4.03 3.92 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 73 A 8.18 4.02 1.35 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 0.00 0.00 0.00 74 Q 8.65 4.12 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 75 R 8.27 4.49 0.00 2.01 2.17 0.00 3.61 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 76 A 8.14 3.98 1.40 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 0.00 0.00 0.00 77 A 8.34 3.94 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 78 E 8.39 3.74 0.00 2.20 1.61 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 2.40 2.53 0.00 79 L 8.06 3.85 0.00 1.85 1.71 0.99 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0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.07 0.00 0.00 113 P 0.00 4.42 0.00 2.07 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 114 E 8.12 4.18 0.00 2.00 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 2.33 2.38 0.00 115 F 7.93 4.60 0.00 3.09 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 0.00 116 V 7.14 4.55 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 0.88 0.00 0.00 0.80 0.00 0.00 117 E 5.90 4.57 0.00 1.49 1.74 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 2.16 2.02 0.00 118 Q 8.01 4.28 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 119 H 8.37 4.30 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.37 4.12 0.00 1.73 1.75 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 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0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.10 0.00 1.95 1.84 0.00 3.09 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 139 H 8.19 5.32 0.00 3.08 3.33 0.00 5.13 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.61 4.33 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 0.00 141 R 8.37 5.58 0.00 1.81 1.75 0.00 3.02 0.00 0.00 3.93 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 142 A 8.52 4.94 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 0.00 143 A 8.43 5.04 1.19 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 0.00 0.00 144 V 8.92 4.55 2.19 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 0.77 0.00 0.00 1.21 0.00 0.00 145 G 8.67 4.61 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 *147 A 8.48 4.46 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 0.00 148 S 7.19 4.65 0.00 3.93 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 0.00 149 L 7.42 4.81 0.00 1.89 1.57 1.12 1.05 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 0.00 150 P 0.00 4.17 0.00 2.37 1.94 0.00 3.89 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 2.15 2.08 0.00 151 F 8.74 3.61 0.00 3.26 3.18 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 0.00 152 N 8.27 4.17 0.00 3.01 2.88 0.00 0.00 7.08 8.02 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 0.00 153 A 7.93 4.47 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 0.00 154 S 8.52 4.61 0.00 3.78 3.89 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 0.00 155 V 7.62 5.03 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 0.85 0.00 0.00 0.95 0.00 0.00 156 E 9.66 5.09 0.00 2.12 1.93 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 2.48 2.52 0.00 157 I 9.13 5.53 1.84 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 0.84 0.17 0.88 0.00 0.00 158 D 8.63 5.37 0.00 3.12 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 0.00 159 A 8.46 5.19 1.14 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 0.00 160 I 8.75 4.62 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.70 0.43 0.00 0.00 161 V 8.59 4.72 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 0.76 0.00 0.00 0.86 0.00 0.00 162 E 9.43 4.79 0.00 2.02 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 2.30 2.25 0.00 163 I 8.49 4.74 1.85 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 1.22 1.68 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.