NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1558 8.2531 123.5820 52.0697 19.1268 175.4707 4 G 3.9770 6.8987 119.0272 41.0000 0.0000 170.6929 5 S 4.8648 7.5961 123.5836 57.0403 60.4848 174.7592 6 A 4.5169 7.1189 126.0322 49.2118 20.7582 175.4599 7 G 4.0037 8.8154 104.9048 46.2227 0.0000 174.8177 8 L 4.2165 7.6415 120.8218 53.7094 43.0223 175.1826 9 P 4.4274 0.0000 0.0000 62.5927 33.1986 177.8095 10 R 3.8680 8.6251 120.9510 59.7246 30.1893 178.7976 11 R 3.8663 7.9705 118.2476 59.8318 30.1526 178.0167 12 I 3.8489 7.7776 118.8345 64.3627 37.1875 178.3265 13 I 3.7542 8.2326 121.1351 64.3325 36.8874 178.3944 14 K 4.0832 8.3118 120.5223 59.5943 31.9642 178.6650 15 E 4.0049 8.4701 118.9476 59.8221 29.3891 179.5235 16 T 4.0350 8.3131 115.6577 65.9911 68.2110 175.8260 17 Q 4.3388 7.5628 119.3010 57.4944 29.6747 177.7246 18 R 3.9660 8.2836 119.7639 59.1674 30.1036 178.9066 19 L 3.9499 8.2309 118.9355 57.8789 41.4330 179.6340 20 L 4.1015 7.9251 117.4809 57.9393 41.5202 178.3724 21 A 4.4474 7.6441 120.8998 51.7235 19.0857 177.2501 22 E 4.4112 8.9363 128.3060 52.9600 29.5839 174.2493 23 P 4.8388 0.0000 0.0000 61.3469 31.9112 176.9988 24 V 3.7939 8.1754 121.6423 61.8001 32.2369 173.7893 25 P 4.2548 0.0000 0.0000 63.8790 31.9779 176.4933 26 G 3.9712 8.8857 107.2329 46.1671 0.0000 172.4646 27 I 4.9727 7.3234 118.7872 59.1643 39.8083 174.9182 28 K 4.7212 8.6419 127.0121 55.0304 34.5813 174.7758 29 A 5.4693 8.0084 124.5139 52.3245 22.3334 175.7474 30 E 4.6904 8.4492 116.7764 54.9736 33.7726 173.9113 31 P 4.0918 0.0000 0.0000 61.8450 33.0150 175.6687 32 D 4.5923 9.1854 121.5973 54.3729 41.2465 176.5434 33 E 3.8597 9.1485 125.8108 59.6770 29.2446 178.7891 34 S 4.1285 7.8034 113.1471 59.6587 63.5739 173.0627 35 N 4.8923 8.6662 118.8372 50.6963 40.6624 175.2185 36 A 4.2130 8.5846 127.9575 54.1284 19.6868 178.1239 37 R 4.2849 8.0683 113.8103 58.0233 31.3718 175.5928 38 Y 5.2679 8.1285 121.5310 55.7752 41.4024 174.3336 39 F 4.9956 8.9343 124.6546 55.9210 43.0491 174.1712 40 H 4.6688 8.9503 119.7883 54.7702 29.9410 174.3139 41 V 4.7262 8.2260 123.8517 61.1828 34.1282 174.7806 42 V 4.8685 8.8018 126.1502 61.3351 34.6632 173.9188 43 I 4.8241 9.4071 129.2401 59.5577 39.5250 174.9360 44 A 4.8678 8.5881 128.3851 50.9907 20.7200 176.7487 45 G 4.6486 9.0298 108.1754 43.5915 0.0000 171.9867 46 P 4.6859 0.0000 0.0000 62.8418 31.9927 176.1377 47 Q 4.4602 8.6609 121.7747 57.1201 29.2110 176.0494 48 D 4.3677 8.8322 117.4986 55.5408 40.1798 174.3350 49 S 4.5245 7.6961 113.3236 57.1781 63.9122 173.4468 50 P 4.2723 0.0000 0.0000 65.3330 31.6311 177.8364 51 F 4.9382 6.9909 115.3127 57.2065 38.1166 176.3995 52 E 4.4176 6.9242 119.3391 59.4883 29.6267 178.3241 53 G 4.0187 8.3679 108.7477 47.0645 0.0000 172.7730 54 G 4.6043 8.5198 109.1309 45.2610 0.0000 171.8483 55 T 5.3047 7.7934 109.7623 60.5769 72.1283 173.7059 56 F 4.8578 9.3558 122.5785 55.7986 43.6739 173.7929 57 K 4.8485 8.8224 122.5051 55.7784 34.0447 175.9998 58 L 5.1327 8.9662 123.7025 53.2808 46.9161 174.8234 59 E 4.7292 9.1092 116.7494 55.2688 33.0412 174.1141 60 L 5.0388 8.1739 124.8208 53.4089 45.1057 174.7061 61 F 5.4732 8.9422 125.7512 56.6010 43.4216 173.8256 62 L 3.8209 8.1706 125.9496 52.3261 41.4033 175.0615 63 P 3.8643 0.0000 0.0000 62.2212 32.0715 177.8991 64 E 3.7412 8.2596 116.7514 59.8359 29.9481 178.4732 65 E 4.2006 8.1672 118.0965 55.9985 29.9289 176.1421 66 Y 4.6535 7.9699 120.4081 57.2156 38.7775 174.0502 67 P 4.1041 0.0000 0.0000 62.7831 31.5313 176.5938 68 M 4.4703 8.6823 116.2708 56.7928 31.4467 176.0220 69 A 4.6505 7.9345 120.7500 50.3128 22.5380 176.1965 70 A 2.5800 7.6635 124.0283 50.2874 18.9987 175.5826 71 P 4.3006 0.0000 0.0000 62.2948 33.1563 175.4046 72 K 4.4201 8.3625 119.2270 55.1625 33.2120 176.4785 73 V 4.9295 8.1659 124.5782 61.3365 35.0035 174.0684 74 R 4.7560 8.4179 120.4815 55.6181 33.1219 173.4336 75 F 4.8690 9.1320 117.8187 57.0012 40.4354 177.0037 76 M 4.6862 9.0105 118.7882 56.6317 34.9438 176.6806 77 T 4.1058 8.3219 113.5126 63.5547 69.3321 172.8478 78 K 4.5057 8.2944 123.9240 54.8463 33.5797 175.4450 79 I 4.9195 7.9940 124.3832 59.4648 41.2190 173.4762 80 Y 4.2454 8.4718 126.1387 56.6078 39.1836 174.4685 81 H 4.1423 7.9329 123.1526 54.5735 32.6198 172.7832 82 P 4.0609 0.0000 0.0000 65.0091 31.3164 176.7422 83 N 4.7520 8.2988 113.0768 52.5707 39.2848 173.6027 84 V 5.0279 7.7156 118.6261 60.1604 33.3747 175.4568 85 D 4.7964 8.2598 127.0963 52.5923 41.7787 175.4194 86 K 4.2856 8.4989 116.3895 58.9978 32.6169 177.8935 87 L 4.1053 8.0329 115.5078 54.9887 41.4246 177.7501 88 G 4.0340 8.1520 106.1757 45.2312 0.0000 173.7755 89 R 4.2650 7.7307 118.7849 57.0179 31.2015 175.5194 90 I 4.7218 8.2487 123.0643 59.8025 39.4383 175.1649 91 C 4.4440 8.8539 128.0694 58.4932 31.6565 172.7932 92 L 4.6991 8.1330 126.0514 51.9440 45.7793 176.7455 93 D 4.3924 9.1211 124.4981 56.8998 39.0029 179.0678 94 I 4.4057 7.7153 114.3898 62.9093 37.4993 177.5887 95 L 4.0658 7.6971 119.0870 56.6507 41.4205 178.8885 96 K 4.3188 8.1023 118.6484 56.9735 32.7067 177.0419 97 D 4.6661 7.3605 113.5906 53.7124 41.5098 175.7860 98 K 4.3470 7.7132 119.9112 56.8172 32.2769 175.8846 99 W 4.9523 8.1797 128.7010 56.1860 31.7961 174.9486 100 S 4.2999 7.1946 119.0726 55.2772 64.4008 172.8725 101 P 3.9933 0.0000 0.0000 64.9875 31.1394 177.0958 102 A 3.9851 7.2339 118.9107 52.7932 18.5401 177.1606 103 L 4.3204 8.3821 116.2211 53.4984 43.4688 174.6474 104 Q 4.9099 8.7233 116.2990 54.5382 31.5797 174.7839 105 I 3.5891 8.7922 118.1796 65.2123 36.6959 178.4845 106 R 4.1146 7.7065 116.6915 59.4513 30.0476 178.4065 107 T 3.9708 7.8585 115.5120 66.2819 68.6307 176.3058 108 V 3.6318 8.1794 120.2842 66.5038 31.6543 178.3411 109 L 3.9931 8.4250 118.4343 57.4332 41.0968 179.4987 110 L 4.0850 8.3027 119.0730 57.3703 41.7957 178.9862 111 S 4.2488 7.9844 114.5850 61.8392 62.9809 176.4321 112 I 3.7335 7.7486 122.4458 64.5477 36.7309 177.9943 113 Q 4.1545 7.6503 114.8110 57.5563 28.2221 177.6852 114 A 4.1702 9.1764 124.9211 55.8803 18.7977 179.5559 115 L 3.6464 7.5112 116.2301 57.8963 41.6624 179.4508 116 L 3.6721 7.5170 118.6822 57.7086 41.7081 179.2454 117 S 4.6207 9.1828 113.3244 59.0648 64.5538 174.7578 118 A 4.6622 7.7546 122.5311 50.8748 20.4116 174.0771 119 P 4.0656 0.0000 0.0000 61.7622 32.1172 177.4155 120 N 4.5523 8.0619 123.2991 51.1494 37.4675 172.2931 121 P 4.1650 0.0000 0.0000 63.9303 31.8863 176.4626 122 D 4.8246 7.3849 117.9549 51.3183 38.6778 175.7160 123 D 4.5198 8.2645 126.9987 57.4824 43.1569 175.8918 124 P 4.2377 0.0000 0.0000 63.5578 30.0492 178.2676 *127 N 4.5487 9.1331 111.6539 51.9206 39.0330 175.6064 128 D 4.6438 8.4685 119.3231 56.1763 39.3730 178.7476 129 V 3.6419 7.6634 119.4641 65.3010 31.8133 177.5103 130 A 3.9373 7.8405 120.0897 55.3571 18.3174 178.3938 131 E 3.8024 8.6055 117.8724 60.3356 29.5802 179.0797 132 Q 3.9766 8.3437 118.4756 58.8054 29.2175 177.6476 133 W 3.9374 8.7350 129.5419 60.9701 30.4355 177.7871 134 K 4.0417 8.1429 118.7303 59.7586 31.7484 178.7670 135 T 4.2221 7.7406 115.3004 65.6997 69.0138 175.8091 136 N 4.7425 9.0904 120.2495 56.7804 38.8501 179.1323 137 E 2.6849 7.8028 112.7906 55.1960 30.6618 177.7506 138 A 3.8413 7.6540 119.4278 56.0888 18.7986 179.7865 139 Q 3.8240 7.8840 115.0897 58.8378 28.9388 178.6686 140 A 3.7411 7.7214 121.9303 55.3047 17.9727 179.4809 141 I 3.2632 7.6308 118.3817 64.2101 37.0821 178.6061 142 E 3.8795 7.9642 119.5590 59.5126 29.7920 179.7178 143 T 3.7159 8.0807 115.9886 66.4780 68.6259 176.6576 144 A 3.9141 7.5075 122.1725 55.2876 18.2698 179.6444 145 R 4.3565 9.2036 119.2313 58.7732 30.0276 178.7489 146 A 4.0812 8.2224 120.9884 55.1678 18.5527 179.4778 147 W 4.7584 9.2366 117.8190 60.5410 29.1988 179.0341 148 T 4.2770 8.2418 115.3826 66.9719 67.9101 176.9998 149 R 4.0907 7.6839 118.7325 59.4180 30.0733 178.5132 150 L 3.9378 7.9060 119.7662 57.2481 42.2424 177.4906 151 Y 4.6573 8.3798 114.5865 57.5266 38.7834 175.7488 152 A 4.6150 8.8106 124.1818 52.0968 19.6302 175.9448 153 M 4.7522 7.8031 120.2725 55.6005 33.7363 175.3998 154 N 4.1552 8.3078 123.7668 53.5974 35.7230 174.8342 155 N 4.7147 7.6728 110.9705 53.4461 38.1368 175.7093 156 I 3.9425 7.6201 116.5301 62.2667 37.9133 175.6409 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 A 8.25 4.16 1.29 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 0.00 0.00 4 G 6.90 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 5 S 7.60 4.86 0.00 4.08 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 6 A 7.12 4.52 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 7 G 8.82 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 8 L 7.64 4.22 0.00 1.62 1.60 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.43 0.00 2.26 2.00 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 10 R 8.63 3.87 0.00 1.86 1.93 0.00 3.40 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 11 R 7.97 3.87 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 12 I 7.78 3.85 2.06 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 1.74 0.90 1.02 0.00 0.00 13 I 8.23 3.75 1.90 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 1.43 1.05 0.94 0.00 0.00 14 K 8.31 4.08 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 15 E 8.47 4.00 0.00 2.30 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 2.38 2.58 0.00 16 T 8.31 4.03 4.48 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 1.33 0.00 0.00 17 Q 7.56 4.34 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 18 R 8.28 3.97 0.00 2.01 1.98 0.00 3.35 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 19 L 8.23 3.95 0.00 1.75 1.77 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.93 4.10 0.00 1.64 1.76 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 4.45 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 22 E 8.94 4.41 0.00 1.88 1.88 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 2.23 2.39 0.00 23 P 0.00 4.84 0.00 2.10 1.99 0.00 3.80 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 24 V 8.18 3.79 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 1.02 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.25 0.00 2.21 2.05 0.00 3.71 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 2.00 2.09 0.00 26 G 8.89 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 27 I 7.32 4.97 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.88 0.94 0.00 0.00 28 K 8.64 4.72 0.00 1.85 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 29 A 8.01 5.47 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 30 E 8.45 4.69 0.00 1.92 1.83 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 2.26 2.27 0.00 31 P 0.00 4.09 0.00 1.63 0.78 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 32 D 9.19 4.59 0.00 3.08 2.94 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 33 E 9.15 3.86 0.00 2.09 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 0.00 2.28 2.34 0.00 34 S 7.80 4.13 0.00 4.01 3.99 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 35 N 8.67 4.89 0.00 2.77 2.69 0.00 0.00 7.21 8.09 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 36 A 8.58 4.21 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 37 R 8.07 4.28 0.00 1.90 1.94 0.00 3.06 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 38 Y 8.13 5.27 0.00 3.13 2.94 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 39 F 8.93 5.00 0.00 2.69 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 40 H 8.95 4.67 0.00 3.13 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.23 4.73 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 0.68 0.00 0.00 0.85 0.00 0.00 42 V 8.80 4.87 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 0.97 0.00 0.00 0.96 0.00 0.00 43 I 9.41 4.82 1.88 0.00 0.00 0.66 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 0.44 0.91 0.00 0.00 44 A 8.59 4.87 1.38 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 0.00 0.00 0.00 45 G 9.03 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 0.00 0.00 0.00 0.00 46 P 0.00 4.69 0.00 2.31 2.08 0.00 3.78 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 47 Q 8.66 4.46 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.12 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 48 D 8.83 4.37 0.00 2.84 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 49 S 7.70 4.52 0.00 4.50 4.19 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 50 P 0.00 4.27 0.00 1.73 2.16 0.00 3.75 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 0.63 1.84 0.00 51 F 6.99 4.94 0.00 3.52 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 52 E 6.92 4.42 0.00 2.26 1.90 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 2.41 2.52 0.00 53 G 8.37 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.52 4.60 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 55 T 7.79 5.30 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 1.24 0.00 0.00 56 F 9.36 4.86 0.00 3.15 3.16 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 0.00 57 K 8.82 4.85 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 58 L 8.97 5.13 0.00 1.25 1.39 -0.15 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.11 4.73 0.00 1.54 1.91 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 2.17 2.18 0.00 60 L 8.17 5.04 0.00 1.59 1.34 0.69 0.09 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 61 F 8.94 5.47 0.00 2.91 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 62 L 8.17 3.82 0.00 1.19 1.01 0.60 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.86 0.00 2.36 2.19 0.00 3.38 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 1.96 1.87 0.00 64 E 8.26 3.74 0.00 2.12 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 0.00 2.31 2.42 0.00 65 E 8.17 4.20 0.00 2.13 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 2.42 2.37 0.00 66 Y 7.97 4.65 0.00 2.70 2.85 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 67 P 0.00 4.10 0.00 1.89 0.74 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 68 M 8.68 4.47 0.00 2.05 2.20 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 2.65 2.74 0.00 69 A 7.93 4.65 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 70 A 7.66 2.58 0.11 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 0.00 0.00 71 P 0.00 4.30 0.00 1.79 1.64 0.00 2.68 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 72 K 8.36 4.42 0.00 1.92 1.80 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.36 7.81 73 V 8.17 4.93 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 0.68 0.00 0.00 0.81 0.00 0.00 74 R 8.42 4.76 0.00 2.12 1.99 0.00 2.84 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 75 F 9.13 4.87 0.00 3.22 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 76 M 9.01 4.69 0.00 1.94 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 77 T 8.32 4.11 4.59 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 0.00 0.00 0.00 1.41 0.00 0.00 78 K 8.29 4.51 0.00 1.32 0.81 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.07 7.81 79 I 7.99 4.92 1.91 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 0.96 1.23 0.18 0.00 0.00 80 Y 8.47 4.25 0.00 1.43 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 81 H 7.93 4.14 0.00 3.16 2.80 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.06 0.00 1.66 1.83 0.00 2.37 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 1.12 1.54 0.00 83 N 8.30 4.75 0.00 2.65 2.84 0.00 0.00 6.64 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 84 V 7.72 5.03 1.80 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 0.83 0.00 0.00 0.41 0.00 0.00 85 D 8.26 4.80 0.00 2.80 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 86 K 8.50 4.29 0.00 1.82 2.00 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.50 7.81 87 L 8.03 4.11 0.00 1.65 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.15 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 0.00 0.00 0.00 89 R 7.73 4.26 0.00 2.19 1.89 0.00 3.10 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 90 I 8.25 4.72 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.90 0.00 0.00 91 C 8.85 4.44 0.00 2.92 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 92 L 8.13 4.70 0.00 1.68 1.50 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.12 4.39 0.00 2.89 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 94 I 7.72 4.41 2.18 0.00 0.00 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 1.74 1.84 0.98 0.00 0.00 95 L 7.70 4.07 0.00 1.71 1.69 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.10 4.32 0.00 1.69 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 97 D 7.36 4.67 0.00 2.73 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 98 K 7.71 4.35 0.00 2.03 1.88 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.49 7.81 99 W 8.18 4.95 0.00 3.51 3.02 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 0.00 0.00 0.00 100 S 7.19 4.30 0.00 3.57 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 0.00 101 P 0.00 3.99 0.00 1.90 2.08 0.00 3.45 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 102 A 7.23 3.99 1.12 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 0.00 0.00 0.00 103 L 8.38 4.32 0.00 0.96 1.50 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.72 4.91 0.00 2.66 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 105 I 8.79 3.59 1.85 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.57 0.00 0.00 106 R 7.71 4.11 0.00 1.84 1.96 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 107 T 7.86 3.97 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 1.24 0.00 0.00 108 V 8.18 3.63 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 0.97 0.00 0.00 1.10 0.00 0.00 109 L 8.42 3.99 0.00 1.77 1.66 0.87 0.54 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 0.00 110 L 8.30 4.09 0.00 1.84 1.71 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.98 4.25 0.00 3.99 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 0.00 112 I 7.75 3.73 1.78 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 1.53 0.88 0.79 0.00 0.00 113 Q 7.65 4.15 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 114 A 9.18 4.17 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 0.00 115 L 7.51 3.65 0.00 1.78 1.53 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.52 3.67 0.00 1.64 1.50 0.18 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.18 4.62 0.00 3.85 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 0.00 118 A 7.75 4.66 1.24 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 0.00 0.00 119 P 0.00 4.07 0.00 1.01 1.30 0.00 3.62 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 2.13 0.00 120 N 8.06 4.55 0.00 2.57 2.75 0.00 0.00 7.24 7.69 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 0.00 121 P 0.00 4.16 0.00 2.09 2.12 0.00 3.60 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 2.04 1.97 0.00 122 D 7.38 4.82 0.00 2.71 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 0.00 123 D 8.26 4.52 0.00 2.65 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 0.00 124 P 0.00 4.24 0.00 2.15 1.66 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 *127 N 9.13 4.55 0.00 2.95 3.02 0.00 0.00 5.69 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 0.00 128 D 8.47 4.64 0.00 2.98 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 0.00 129 V 7.66 3.64 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 0.13 0.00 0.00 0.84 0.00 0.00 130 A 7.84 3.94 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 0.00 131 E 8.61 3.80 0.00 2.06 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 2.34 2.42 0.00 132 Q 8.34 3.98 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.41 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 133 W 8.73 3.94 0.00 3.67 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 0.00 134 K 8.14 4.04 0.00 1.88 1.99 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.56 7.81 135 T 7.74 4.22 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 1.21 0.00 0.00 136 N 9.09 4.74 0.00 2.61 2.60 0.00 0.00 7.34 7.61 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 0.00 137 E 7.80 2.68 0.00 2.04 1.86 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 2.03 2.50 0.00 138 A 7.65 3.84 1.24 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 0.00 0.00 139 Q 7.88 3.82 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 140 A 7.72 3.74 0.34 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 0.00 141 I 7.63 3.26 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.79 0.00 0.00 142 E 7.96 3.88 0.00 2.13 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 2.25 2.34 0.00 143 T 8.08 3.72 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 -0.08 0.00 0.00 144 A 7.51 3.91 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 0.00 145 R 9.20 4.36 0.00 1.67 1.93 0.00 3.13 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 146 A 8.22 4.08 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 0.00 147 W 9.24 4.76 0.00 3.61 3.67 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 0.00 0.00 0.00 0.00 148 T 8.24 4.28 4.75 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 1.45 0.00 0.00 149 R 7.68 4.09 0.00 1.85 2.04 0.00 3.18 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 150 L 7.91 3.94 0.00 1.48 1.33 0.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.38 4.66 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 152 A 8.81 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.80 4.75 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 154 N 8.31 4.16 0.00 3.01 2.98 0.00 0.00 7.00 7.70 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 0.00 155 N 7.67 4.71 0.00 2.87 2.96 0.00 0.00 6.38 7.81 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 0.00 156 I 7.62 3.94 1.87 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 1.17 0.59 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.