NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2685 8.1593 117.3738 63.5491 69.7870 173.5626 2 S 4.4150 8.3520 120.9658 55.9103 65.0438 173.1684 3 K 4.0406 9.3631 122.0871 59.4898 32.7328 179.6576 4 K 3.8511 8.0792 118.2946 59.5978 31.8792 178.8649 5 K 4.1050 7.6903 117.1058 58.3677 32.1547 177.7245 6 R 4.4262 7.6406 116.2067 56.8789 30.8774 177.6709 7 Q 4.0990 7.9933 119.1517 57.1974 28.4653 176.3192 8 R 4.0968 7.4875 119.3063 57.8948 30.2649 176.4635 9 G 4.1098 9.0609 111.7236 45.5380 0.0000 174.4787 10 S 4.1377 7.9758 113.4047 58.9698 63.3473 174.3014 11 R 4.1809 7.9964 124.6909 56.9528 29.2508 176.5135 12 T 4.2992 7.6271 104.8330 61.2557 69.6709 174.1602 13 H 4.3622 8.5055 117.9864 56.0067 26.8671 175.7677 14 G 3.9426 8.4629 104.7588 45.7918 0.0000 175.0367 15 G 3.7408 8.5050 108.1930 45.9883 0.0000 175.9580 16 G 3.9030 7.9604 106.2797 44.4948 0.0000 173.2604 17 S 4.1592 8.6283 116.1306 58.8022 62.7466 175.1651 18 H 4.4539 8.8952 121.0569 57.0460 28.1948 175.8750 19 K 4.1198 7.7013 119.1524 57.2976 32.3901 177.8159 20 N 4.3146 7.9687 117.0907 56.3052 38.6616 177.3468 21 R 4.2618 7.4689 121.5370 55.7555 29.1594 177.6151 22 R 4.6448 7.4918 125.8931 55.9458 31.4946 178.4603 23 G 3.9909 8.4650 116.4595 45.4113 0.0000 172.9243 24 A 4.3710 8.6593 121.8742 53.8532 18.4838 179.8799 25 G 3.5699 8.0115 104.6657 47.7630 0.0000 174.9403 26 H 4.5472 8.0464 118.2777 57.6734 29.9363 176.2525 27 R 4.5827 7.5253 116.9998 55.3318 31.0403 175.4360 28 G 3.8433 8.5857 106.6456 46.9243 0.0000 174.4412 29 G 4.0735 8.2558 105.7889 44.3423 0.0000 174.6282 30 R 4.2493 8.5291 118.4143 56.3325 31.9953 177.4564 31 G 3.8475 8.2103 109.3096 47.5259 0.0000 173.9388 32 D 4.7404 8.4778 118.9725 54.1971 41.2219 175.9151 33 A 3.9696 7.4180 122.7703 53.6252 19.0109 179.1696 34 G 3.7744 8.9606 109.9885 45.3479 0.0000 175.0990 35 R 4.0657 7.5973 116.7230 57.6784 29.1976 177.1917 36 D 5.0994 7.8722 115.5258 52.6653 41.0586 175.4221 37 K 4.4542 9.0847 117.8556 57.1765 32.3533 178.1532 38 H 4.5831 9.8215 125.0420 58.4197 29.4913 176.0690 39 E 4.7666 7.1393 118.1672 55.6376 30.1716 177.1982 40 F 4.7394 8.2218 115.0259 59.1261 38.6186 175.2040 41 H 3.5978 6.8202 117.6563 57.4563 28.6698 174.3295 42 N 4.1994 8.7456 118.8093 54.2475 36.1598 173.2451 43 H 4.7255 7.6665 117.2367 54.1659 31.3262 174.8781 44 E 4.1370 8.5710 124.9058 55.8197 29.9226 175.3570 45 P 4.5709 0.0000 0.0000 62.1455 32.3643 176.1895 46 L 4.1258 8.0295 119.2247 55.1925 42.2180 175.9943 47 G 4.2046 8.2020 106.1383 43.7073 0.0000 173.5765 48 K 4.5269 8.0628 119.6208 55.2000 33.9948 176.4933 49 S 4.4085 8.5849 113.2160 58.4047 65.4969 176.0850 50 G 4.0112 8.9692 117.3439 45.8111 0.0000 171.1112 51 F 4.9316 8.2062 113.6754 55.8789 40.8136 173.1643 52 K 4.2632 8.3268 118.7550 54.5531 35.2754 176.7605 53 R 4.5151 8.1537 121.9477 54.2809 31.5444 174.6546 54 P 4.3928 0.0000 0.0000 62.9237 32.0050 177.5720 55 Q 4.0113 8.8221 120.1125 58.5763 28.8067 178.0212 56 K 4.4786 7.9693 114.8206 56.6335 32.7924 176.8774 57 V 4.3113 7.8171 116.9219 62.8072 32.2980 174.9015 58 Q 4.5358 7.5478 116.6105 55.0880 29.9305 174.7423 59 E 4.6495 8.5816 121.6950 54.6502 31.6842 175.1702 60 E 4.4623 8.3749 123.5859 54.2524 31.5131 174.3908 61 A 3.9365 8.1797 128.4831 51.0722 19.9596 176.1605 62 A 4.4695 8.6944 124.0391 50.9665 20.2577 176.8775 63 T 5.4266 8.1183 112.3428 60.0562 71.8357 173.6950 64 I 4.3821 7.8010 119.4848 60.2718 41.4901 172.5764 65 D 5.2294 8.5406 128.1331 53.1474 42.5401 177.7405 66 V 3.5813 8.6148 116.3017 64.9531 31.7140 178.8083 67 R 3.8805 7.8412 117.7435 59.6061 29.5528 178.2059 68 E 3.9176 8.2006 118.1659 59.3922 30.0076 178.4072 69 I 3.7535 7.7009 119.3473 64.4704 36.7519 177.4001 70 D 4.3586 8.7794 118.8282 57.8392 40.8430 178.5515 71 E 4.1763 8.0271 116.6792 58.1083 29.6342 177.3684 72 N 4.9193 7.7992 116.0853 52.8881 39.0185 176.7682 73 V 3.1963 6.9655 111.6663 64.8426 31.9327 177.7038 74 T 4.0605 7.7199 109.5083 64.9261 68.5366 175.5000 75 L 4.0615 7.8401 120.4699 57.0342 40.9075 177.5183 76 L 4.3721 7.7023 120.0244 54.1069 41.2838 178.3744 77 A 4.2496 7.8242 122.9203 55.1408 18.9957 179.3972 78 A 4.4259 7.3190 117.0205 52.4019 17.9862 176.8256 79 D 4.6414 8.4858 119.0215 56.0826 44.8765 175.6487 80 D 4.0975 7.6848 121.7771 49.4894 41.7982 175.4159 81 V 4.3370 8.3036 120.7398 61.2784 32.4762 174.6861 82 A 4.6547 7.9129 132.2897 50.3212 20.9590 176.6805 83 E 3.7371 8.8071 112.0855 59.4834 29.7215 177.0211 *89 F 4.4921 7.7441 117.4512 57.4027 41.1101 173.7610 90 R 5.1656 8.3945 121.5381 54.7846 31.4664 175.5742 91 V 4.4513 8.6274 126.4059 59.8968 34.7267 174.5924 92 D 4.6434 8.7633 124.8493 52.7384 40.7734 176.2641 93 V 3.5902 8.4656 128.5479 66.1425 31.6411 178.4347 94 R 3.8236 7.9566 117.5848 59.1917 29.9175 177.0697 95 D 4.6647 8.2265 115.3717 54.5787 41.2750 176.7782 96 V 4.1116 8.1728 119.4008 64.0351 33.0113 176.5968 97 V 3.6930 7.5558 118.5400 62.7439 32.0966 175.2813 98 E 4.2509 8.5761 126.0029 56.5568 30.4727 176.4800 99 E 3.8981 8.7449 117.0087 57.4959 27.1036 175.6142 100 A 4.3815 7.6080 118.1104 52.8576 18.3702 178.3629 101 D 4.7388 7.7384 117.5815 56.8374 42.0220 178.3438 102 D 4.7059 7.8583 115.8891 53.6467 39.8774 175.6863 103 A 4.7868 7.5469 120.6235 51.3985 22.0928 176.8571 104 D 4.7088 8.3743 120.3677 56.9357 41.6421 175.9296 105 Y 4.7605 7.1037 114.3742 56.4885 40.9982 172.7635 106 V 4.7789 9.5589 121.3301 61.0997 33.8800 174.2136 107 K 4.7163 9.0170 129.1584 54.5678 35.3580 174.5684 108 V 4.5293 8.2935 127.6857 61.7745 33.0731 174.7416 109 L 4.8021 9.4918 128.9141 52.5755 44.3712 176.8457 110 G 4.3964 7.7722 107.2911 45.5696 0.0000 173.9049 111 A 4.5301 7.9964 121.3929 51.7380 21.2191 178.7647 112 G 3.9648 8.9177 108.8667 44.2380 0.0000 172.2111 113 Q 4.6109 8.2209 117.1882 54.1924 31.4147 175.8899 114 V 4.4561 7.7958 117.9860 61.6190 32.0122 174.3009 115 R 4.3681 8.4029 123.4958 56.0967 29.8233 176.0196 116 H 5.0592 7.7387 114.3214 54.0595 32.9423 172.0482 117 E 4.9787 8.6933 118.7584 54.6391 30.6938 175.5429 118 L 5.1642 8.5651 123.3235 53.1190 46.5414 175.7966 119 T 5.0055 9.1252 119.3592 62.1202 70.5118 172.8368 120 L 5.2456 8.7362 127.1428 53.2551 44.3698 175.9956 121 I 5.3145 8.7568 123.2194 58.9410 40.0278 174.5565 122 A 4.8029 8.5495 127.1414 50.6904 22.5939 176.2751 123 D 4.4815 8.6822 118.7505 56.5067 41.8517 176.0566 124 D 4.6750 6.9825 115.5623 53.7326 44.3119 174.5382 125 F 5.4388 8.9137 121.0764 55.7812 43.3409 174.3186 126 S 4.6478 8.5623 115.0940 57.3804 65.1251 174.5781 127 E 4.0057 9.2617 122.2778 60.0460 29.1184 179.8235 128 G 3.7120 8.2086 104.3102 47.4225 0.0000 175.2765 129 A 4.0837 8.2063 123.4393 55.5956 18.4394 179.4961 130 R 3.7787 8.1999 116.2934 59.0198 30.2120 178.9967 131 E 3.8838 8.2828 117.7006 59.5206 29.4853 180.2408 132 K 3.9230 7.9129 118.2500 59.5046 32.4052 179.4771 133 V 3.6088 7.6889 118.4452 66.1395 31.3337 178.0006 134 E 4.6932 8.2014 119.9268 59.1031 29.2316 179.3289 135 G 4.0660 7.7604 104.0355 47.1085 0.0000 173.9773 136 A 4.7945 7.9279 122.6176 51.4740 20.7185 176.7091 137 G 4.0283 8.5990 106.9447 48.6358 0.0000 173.7840 138 G 4.4422 7.8722 104.5886 43.9413 0.0000 172.5380 139 S 5.1507 9.1191 113.6103 56.3013 66.9445 173.1898 140 V 4.5624 8.1275 119.6293 61.0368 33.9920 174.2290 141 E 4.6384 9.4986 127.8382 54.3278 32.0271 174.9283 142 L 4.8811 8.5982 127.7196 54.8059 43.1334 176.6510 143 T 4.1411 8.5424 123.0731 63.6406 69.6900 175.3193 144 D 4.7166 8.7404 122.8977 57.1535 40.5432 178.8215 145 L 4.0244 7.9092 119.3022 58.0338 42.3266 178.7397 146 G 4.0737 7.4092 102.6162 46.0186 0.0000 173.2271 147 E 4.4501 8.2946 122.3705 57.0815 29.1304 176.9733 148 E 4.6523 7.8552 112.5993 56.4463 30.9184 177.4624 149 R 4.4157 7.8492 119.2871 53.8951 30.4677 175.9309 150 Q 4.3074 8.1866 122.1023 56.7960 29.3342 173.2976 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.35 4.41 0.00 4.05 3.87 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 3 K 9.36 4.04 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.08 3.85 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.69 4.11 0.00 1.68 2.00 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.64 4.43 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 7 Q 7.99 4.10 0.00 1.87 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 8 R 7.49 4.10 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.06 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 0.00 0.00 0.00 10 S 7.98 4.14 0.00 3.98 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 11 R 8.00 4.18 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.26 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.63 4.30 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 13 H 8.51 4.36 0.00 3.28 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.46 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 15 G 8.50 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 16 G 7.96 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 17 S 8.63 4.16 0.00 3.88 3.76 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 0.00 0.00 0.00 0.00 18 H 8.90 4.45 0.00 3.31 3.37 0.00 5.57 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 19 K 7.70 4.12 0.00 1.74 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.32 7.81 20 N 7.97 4.31 0.00 2.69 2.66 0.00 0.00 6.98 7.26 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 21 R 7.47 4.26 0.00 1.76 1.88 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 22 R 7.49 4.64 0.00 1.72 1.24 0.00 3.22 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 23 G 8.46 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 0.00 0.00 0.00 24 A 8.66 4.37 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 25 G 8.01 3.57 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 0.00 0.00 0.00 26 H 8.05 4.55 0.00 3.16 3.46 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.53 4.58 0.00 2.01 1.89 0.00 3.37 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 28 G 8.59 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 29 G 8.26 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 0.00 0.00 0.00 30 R 8.53 4.25 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 31 G 8.21 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 32 D 8.48 4.74 0.00 2.74 2.70 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 0.00 0.00 0.00 0.00 33 A 7.42 3.97 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 34 G 8.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.07 0.00 1.42 1.82 0.00 2.72 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 36 D 7.87 5.10 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 37 K 9.08 4.45 0.00 1.78 1.51 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.82 4.58 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.14 4.77 0.00 1.83 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 2.21 1.98 0.00 40 F 8.22 4.74 0.00 3.20 3.22 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 41 H 6.82 3.60 0.00 2.91 3.04 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.75 4.20 0.00 2.82 2.87 0.00 0.00 6.92 8.16 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 43 H 7.67 4.73 0.00 3.30 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.57 4.14 0.00 2.03 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 2.32 2.26 0.00 45 P 0.00 4.57 0.00 2.19 2.08 0.00 3.79 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 2.00 2.00 0.00 46 L 8.03 4.13 0.00 1.66 1.64 0.91 0.93 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 47 G 8.20 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 0.00 0.00 0.00 0.00 48 K 8.06 4.53 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 S 8.58 4.41 0.00 3.80 3.70 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 0.00 0.00 0.00 0.00 50 G 8.97 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 0.00 0.00 0.00 51 F 8.21 4.93 0.00 3.14 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 52 K 8.33 4.26 0.00 1.69 1.63 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.38 7.81 53 R 8.15 4.52 0.00 1.79 1.91 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.56 0.00 54 P 0.00 4.39 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 55 Q 8.82 4.01 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 56 K 7.97 4.48 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 7.82 4.31 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.55 4.54 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.39 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 59 E 8.58 4.65 0.00 2.00 1.92 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 2.30 2.32 0.00 60 E 8.37 4.46 0.00 1.94 1.72 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 2.14 2.19 0.00 61 A 8.18 3.94 0.50 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 0.00 0.00 62 A 8.69 4.47 1.20 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 0.00 0.00 63 T 8.12 5.43 4.22 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 1.17 0.00 0.00 64 I 7.80 4.38 1.84 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 1.34 1.21 0.93 0.00 0.00 65 D 8.54 5.23 0.00 2.64 2.76 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 0.00 0.00 0.00 0.00 66 V 8.61 3.58 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 0.90 0.00 0.00 0.99 0.00 0.00 67 R 7.84 3.88 0.00 1.93 2.02 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.20 3.92 0.00 1.97 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 2.30 2.33 0.00 69 I 7.70 3.75 2.01 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 1.52 0.68 0.90 0.00 0.00 70 D 8.78 4.36 0.00 2.81 2.70 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 0.00 0.00 0.00 0.00 71 E 8.03 4.18 0.00 2.00 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 2.34 2.66 0.00 72 N 7.80 4.92 0.00 2.67 2.71 0.00 0.00 6.81 7.14 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 73 V 6.97 3.20 0.71 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 0.30 0.00 0.00 0.55 0.00 0.00 74 T 7.72 4.06 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 1.24 0.00 0.00 75 L 7.84 4.06 0.00 1.62 1.76 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.70 4.37 0.00 1.86 1.62 0.87 0.60 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 77 A 7.82 4.25 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 78 A 7.32 4.43 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 79 D 8.49 4.64 0.00 2.73 2.58 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 0.00 0.00 0.00 0.00 80 D 7.68 4.10 0.00 3.05 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 81 V 8.30 4.34 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 0.46 0.00 0.00 1.00 0.00 0.00 82 A 7.91 4.65 1.23 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 0.00 0.00 83 E 8.81 3.74 0.00 2.05 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 2.27 2.35 0.00 *89 F 7.74 4.49 0.00 2.97 3.27 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 90 R 8.39 5.17 0.00 1.79 1.87 0.00 3.22 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 91 V 8.63 4.45 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 0.69 0.00 0.00 0.95 0.00 0.00 92 D 8.76 4.64 0.00 2.73 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 93 V 8.47 3.59 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 0.87 0.00 0.00 0.99 0.00 0.00 94 R 7.96 3.82 0.00 2.05 2.00 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 D 8.23 4.66 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 96 V 8.17 4.11 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.56 3.69 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 0.82 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.25 0.00 2.05 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 2.36 2.31 0.00 99 E 8.74 3.90 0.00 2.15 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 2.27 2.26 0.00 100 A 7.61 4.38 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 0.00 101 D 7.74 4.74 0.00 2.63 2.70 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 0.00 0.00 0.00 0.00 102 D 7.86 4.71 0.00 2.76 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 0.00 103 A 7.55 4.79 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 0.00 104 D 8.37 4.71 0.00 2.58 2.90 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 0.00 105 Y 7.10 4.76 0.00 3.08 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 0.00 106 V 9.56 4.78 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.02 4.72 0.00 2.03 1.63 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.54 7.81 108 V 8.29 4.53 1.84 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 1.02 0.00 0.00 0.78 0.00 0.00 109 L 9.49 4.80 0.00 1.81 1.57 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.77 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 0.00 0.00 0.00 0.00 111 A 8.00 4.53 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 0.00 112 G 8.92 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 0.00 113 Q 8.22 4.61 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 114 V 7.80 4.46 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.40 4.37 0.00 1.67 1.81 0.00 3.11 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 116 H 7.74 5.06 0.00 3.14 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.69 4.98 0.00 2.14 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 0.00 2.29 2.24 0.00 118 L 8.57 5.16 0.00 1.63 1.62 1.00 0.75 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 0.00 119 T 9.13 5.01 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 1.24 0.00 0.00 120 L 8.74 5.25 0.00 1.82 1.85 1.06 0.60 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 0.00 121 I 8.76 5.31 1.94 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 1.18 2.00 0.97 0.00 0.00 122 A 8.55 4.80 0.70 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 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.68 4.48 0.00 2.78 2.67 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 0.00 124 D 6.98 4.68 0.00 2.57 2.33 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 0.00 125 F 8.91 5.44 0.00 2.86 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 0.00 126 S 8.56 4.65 0.00 3.92 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 0.00 127 E 9.26 4.01 0.00 2.07 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 2.57 2.43 0.00 128 G 8.21 3.71 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 0.00 0.00 0.00 129 A 8.21 4.08 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 0.00 0.00 0.00 0.00 0.00 130 R 8.20 3.78 0.00 2.02 1.88 0.00 3.12 0.00 0.00 3.24 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 131 E 8.28 3.88 0.00 2.06 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 2.55 0.00 132 K 7.91 3.92 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 133 V 7.69 3.61 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 1.06 0.00 0.00 1.05 0.00 0.00 134 E 8.20 4.69 0.00 1.98 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 2.27 2.23 0.00 135 G 7.76 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 0.00 0.00 0.00 136 A 7.93 4.79 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 0.00 137 G 8.60 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 0.00 138 G 7.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.12 5.15 0.00 3.76 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 0.00 140 V 8.13 4.56 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.16 0.00 0.00 141 E 9.50 4.64 0.00 1.95 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 2.21 2.21 0.00 142 L 8.60 4.88 0.00 1.72 1.63 1.22 1.11 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 0.00 143 T 8.54 4.14 4.35 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 1.23 0.00 0.00 144 D 8.74 4.72 0.00 2.69 2.72 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 0.00 145 L 7.91 4.02 0.00 1.64 1.84 0.97 1.00 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 0.00 146 G 7.41 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 0.00 0.00 0.00 147 E 8.29 4.45 0.00 2.17 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 2.33 2.53 0.00 148 E 7.86 4.65 0.00 1.80 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 2.16 2.47 0.00 149 R 7.85 4.42 0.00 1.74 1.84 0.00 3.32 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 150 Q 8.19 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.