NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.6421 8.3049 120.3475 55.5988 33.0975 174.9076 6 I 3.5547 8.7581 128.7800 63.3233 37.5326 174.9983 7 G 3.8001 8.3625 116.2003 46.1489 0.0000 171.9387 8 T 4.8458 8.0431 114.9298 59.5084 72.6557 172.7700 9 Q 5.2766 8.6445 119.8139 54.1220 32.7222 174.6943 10 I 4.5492 8.6841 121.3580 59.2628 41.1685 175.3316 11 V 4.2107 8.5327 122.1977 61.2490 32.3531 177.4049 12 T 3.9996 8.6519 120.5975 67.0214 68.4571 176.0528 13 E 3.9904 8.2118 120.6286 59.4172 29.7306 178.8456 14 R 4.0529 8.2820 117.7789 58.3214 30.0714 178.8023 15 L 3.8921 7.8106 120.3275 58.0454 42.1533 178.7896 16 V 3.4161 7.3187 117.3112 65.9313 31.2409 177.4503 17 A 3.9548 7.7262 120.2746 55.4741 17.9435 179.3942 18 L 3.8913 7.9227 117.4505 57.9866 42.1158 179.0492 19 L 4.1418 7.6807 118.2442 57.6466 41.8957 178.4258 20 E 4.3449 8.5972 118.0994 58.4258 30.0249 178.2923 21 S 4.5127 7.4387 116.8619 56.5115 62.3180 174.5162 22 G 3.9285 8.4014 120.4441 47.0164 0.0000 171.6511 23 T 4.4961 7.7535 112.8333 61.0518 70.5888 175.4651 24 E 4.7991 7.7036 117.4367 54.9671 33.7202 174.6677 25 K 4.3332 8.4696 123.2981 55.9701 33.8350 175.3789 26 V 4.8576 8.3480 126.3664 60.9805 34.1385 174.1345 27 L 4.4679 9.1517 130.5725 53.4704 43.6696 174.5688 28 L 4.8875 8.3804 129.5056 53.7441 43.9754 174.9460 29 I 4.7098 8.8613 128.1372 59.5528 39.8703 174.5582 30 D 3.6550 9.3589 130.2506 52.5379 41.8516 176.1961 31 S 5.1432 8.2976 122.4950 58.4840 63.7545 174.5814 32 R 4.5090 7.7987 118.9613 54.3274 32.0657 174.4658 33 P 4.2968 0.0000 0.0000 63.0254 32.0651 177.5941 34 F 4.5079 9.0775 118.4578 59.7548 37.4453 178.0298 35 V 3.1983 6.3096 117.8649 65.3448 31.0974 177.8149 36 E 3.8696 7.9661 118.5780 59.3051 29.0961 178.3880 37 Y 4.1630 7.8510 117.8168 61.0619 39.0482 177.7169 38 N 4.3891 8.5641 116.2168 56.5219 38.6460 177.2119 39 T 3.9513 7.6453 117.3818 64.7337 68.7150 173.4777 40 S 5.0864 7.5691 114.3410 57.8660 66.1070 172.5067 41 H 4.4820 8.2338 120.4573 53.5204 32.4119 172.4222 42 I 4.2283 8.5173 120.3757 61.2229 37.9478 175.5860 43 L 4.0523 8.7792 128.1826 57.0767 42.1501 177.3147 44 E 3.8783 8.9922 123.3689 56.4854 28.2336 174.6042 45 A 4.4549 8.2079 121.3124 52.2317 19.3493 177.2107 46 I 4.2150 9.2586 123.0607 60.0997 38.9134 174.4024 47 N 4.6665 8.0000 125.2151 52.4011 40.3159 173.5249 48 I 4.3605 8.1043 127.8646 59.1620 38.6031 174.5473 49 N 3.8901 8.5891 124.0839 53.9314 39.0666 174.3572 50 C 3.1572 8.2332 126.2851 59.1734 31.8100 173.6486 51 S 4.0619 7.3235 112.9584 57.3364 63.2265 173.4824 52 K 4.0397 8.5378 129.4560 58.6288 31.5857 178.2692 53 L 4.0497 7.7532 120.7098 58.2769 42.1980 178.1865 54 M 4.1328 7.7482 117.8011 58.0625 32.2562 177.6687 55 K 4.1153 8.6775 120.4323 60.0369 32.2733 178.9820 56 R 4.1499 7.9064 117.5652 59.2209 29.8505 179.2145 57 R 4.0320 7.6717 116.7137 58.5722 30.0140 179.0005 58 L 4.0013 7.8449 119.2673 57.7863 41.5480 179.4314 59 Q 3.9942 7.9587 115.2982 58.7938 28.6867 177.0546 60 Q 4.1633 7.7745 115.8951 55.8657 29.1387 175.1619 61 D 4.4484 7.7301 117.3388 55.3903 38.9637 174.3743 62 K 4.4326 8.1826 116.7764 56.4618 33.2110 177.6591 63 V 4.4737 7.2851 117.8028 58.9615 34.3599 175.4049 64 L 4.4300 8.5429 123.2971 53.7517 43.9634 178.0694 65 I 3.7171 8.1935 121.7318 64.5763 38.1495 178.5475 66 T 4.0288 7.9018 110.1612 64.5303 68.6294 176.0941 67 E 3.9034 8.0139 121.9042 59.2072 29.6334 178.4154 68 L 4.1007 8.0659 119.2098 57.7597 41.8564 178.6377 69 I 4.0062 8.2393 123.1195 64.9744 36.6287 178.9100 70 Q 4.1323 8.1194 121.4170 60.3542 27.7099 180.0361 71 H 4.4721 8.2456 116.3517 58.3853 28.6896 176.9436 72 S 4.6199 7.3441 113.6801 57.0541 63.2757 173.3587 73 A 4.7365 7.1505 126.3497 50.8094 21.1490 178.1601 74 K 4.0554 8.9534 127.1022 58.5326 32.0916 176.0048 *75 H 4.5181 7.8165 114.4483 53.3524 28.7019 177.3336 76 K 4.1822 8.3479 121.1043 57.2707 30.3898 176.0801 77 V 3.6015 7.9922 121.8515 60.2995 31.7566 174.5540 78 D 4.5456 8.5956 126.4149 52.1358 40.2158 175.6129 79 I 4.0624 8.1694 121.2318 60.5825 38.0073 175.4409 80 D 4.6299 8.7398 125.1856 52.3925 43.8676 175.5659 81 C 4.0980 8.7913 122.1051 60.6430 29.8317 174.8613 82 S 4.5425 8.1663 114.0191 58.2676 62.8358 173.9340 83 Q 4.3058 8.1552 120.8735 55.9088 29.4310 176.0210 84 K 4.2019 8.8673 123.7784 56.3211 33.5190 175.9760 85 V 4.5548 8.7647 125.8898 60.9951 33.8840 174.3862 86 V 4.8854 8.6764 127.8401 61.2578 33.9868 174.2322 87 V 4.9319 8.7991 128.8530 61.7319 33.7599 174.1257 88 Y 5.2422 8.7763 124.1008 55.6767 41.5835 173.9092 89 D 5.0040 8.5204 121.7104 53.0533 42.8110 176.0459 90 Q 4.2683 9.0668 117.0785 58.7297 30.0615 180.9692 91 S 5.1500 7.6096 112.5745 57.0594 62.6842 173.8905 92 S 4.3631 8.6760 117.6754 59.7689 63.1355 176.2547 93 Q 3.9782 9.0034 124.2294 58.7245 28.9301 175.2809 94 D 4.5195 7.3469 113.9045 52.5402 42.0527 175.2384 95 V 3.7157 8.2705 117.7486 65.6037 31.7556 177.8376 96 A 4.0519 8.1107 122.1756 55.0226 18.3476 178.0753 97 S 4.5147 7.9059 107.6148 58.6746 62.9506 173.8416 98 L 4.6461 7.3503 120.5400 53.3034 41.8499 176.8043 99 S 4.4287 8.2604 116.1586 58.0637 63.8373 175.5570 100 S 4.3769 8.7457 120.0528 61.6382 62.7504 175.3588 101 D 5.0094 7.4515 119.0740 52.4690 41.0649 180.2582 102 C 4.7638 7.4086 115.9704 57.3766 32.8014 173.1886 103 F 4.1522 8.7820 123.5009 61.6213 38.7852 176.9400 104 L 3.8893 8.0900 119.0760 58.7359 41.8406 178.9901 105 T 3.7835 7.8138 114.8670 66.5818 68.2900 176.6749 106 V 3.5113 7.8153 120.1727 65.7177 31.5030 177.8939 107 L 3.6360 8.0976 120.8135 58.1157 41.8477 178.9726 108 L 4.0666 8.5320 119.4877 57.5108 40.9417 179.7806 109 G 3.5667 7.9886 105.7092 47.9380 0.0000 176.0400 110 K 4.0829 7.7857 121.3904 58.8102 31.8934 179.6234 111 L 4.2170 7.8903 119.5766 57.8535 41.3842 179.2904 112 E 4.1411 8.3050 117.5245 58.9958 29.3781 179.1647 113 K 4.1377 7.5453 117.3493 58.7559 32.2546 178.6069 114 S 4.3548 7.5797 112.8992 57.8221 63.7820 174.2953 115 F 5.0113 7.8546 119.8411 55.3642 42.3435 174.6710 116 N 4.3971 9.0372 123.3191 56.1803 38.6125 175.5839 117 S 4.6840 8.0576 116.9667 56.7539 65.2362 172.9976 118 V 4.7471 8.2128 124.6869 61.2510 33.8637 174.3433 119 H 5.2087 9.3410 124.5943 53.8190 32.8096 172.5582 120 L 4.6158 8.6923 124.9939 54.5823 43.7560 175.5416 121 L 4.7492 9.0155 128.6288 54.2159 43.0030 175.8942 122 A 4.5321 8.2630 130.8056 55.2678 18.0927 177.1553 123 G 3.9675 9.5688 111.6921 44.7941 0.0000 174.6778 124 G 4.1698 8.2891 109.4848 45.1943 0.0000 173.7995 125 F 4.1976 9.0304 118.9628 59.8189 38.9772 177.6938 126 A 3.9733 8.1117 120.1645 55.9757 18.4855 178.9467 127 E 3.9946 8.0502 117.6910 58.9677 29.7131 178.8797 128 F 3.9872 7.8791 120.7999 61.2406 39.3709 177.2227 129 S 4.2037 7.2431 111.2341 60.2685 62.8439 174.7946 130 R 4.1136 7.2201 121.6443 57.4660 30.2957 176.2983 131 C 4.3595 7.5969 112.1820 60.7778 31.3870 174.2372 132 F 4.6467 8.0927 116.7698 55.1962 38.4970 174.1409 133 P 4.2757 0.0000 0.0000 64.7956 31.9386 179.2693 134 G 3.7997 8.0285 106.0070 47.3603 0.0000 174.1143 135 L 4.6457 8.2354 119.9759 54.8593 41.7462 175.4950 136 C 5.4395 7.5339 114.8533 58.1717 31.3835 173.1068 137 E 4.4750 8.7426 120.6425 54.6529 32.6499 175.4411 138 G 3.8588 8.7147 113.0466 46.4441 0.0000 173.3369 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 5 M 8.30 4.64 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.81 0.00 6 I 8.76 3.55 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 1.23 0.77 0.92 0.00 0.00 7 G 8.36 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.04 4.85 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 1.24 0.00 0.00 9 Q 8.64 5.28 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 10 I 8.68 4.55 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.73 0.93 0.00 0.00 11 V 8.53 4.21 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 0.70 0.00 0.00 0.95 0.00 0.00 12 T 8.65 4.00 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 E 8.21 3.99 0.00 2.09 1.97 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 2.43 2.53 0.00 14 R 8.28 4.05 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 15 L 7.81 3.89 0.00 1.76 1.92 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.32 3.42 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 0.69 0.00 0.00 -0.07 0.00 0.00 17 A 7.73 3.95 1.41 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 0.00 0.00 18 L 7.92 3.89 0.00 1.67 1.88 0.92 1.05 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 19 L 7.68 4.14 0.00 1.80 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.60 4.34 0.00 1.88 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 0.00 2.35 2.49 0.00 21 S 7.44 4.51 0.00 3.95 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 22 G 8.40 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 0.00 0.00 0.00 23 T 7.75 4.50 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 1.21 0.00 0.00 24 E 7.70 4.80 0.00 1.89 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 2.21 2.22 0.00 25 K 8.47 4.33 0.00 1.90 1.68 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 V 8.35 4.86 2.07 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 0.82 0.00 0.00 0.93 0.00 0.00 27 L 9.15 4.47 0.00 1.62 1.27 0.87 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.38 4.89 0.00 1.82 1.57 0.96 0.92 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 29 I 8.86 4.71 1.79 0.00 0.00 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 1.02 0.49 0.80 0.00 0.00 30 D 9.36 3.65 0.00 2.54 2.46 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 31 S 8.30 5.14 0.00 4.02 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 32 R 7.80 4.51 0.00 1.86 1.86 0.00 3.52 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 33 P 0.00 4.30 0.00 2.07 1.94 0.00 3.69 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 2.20 2.06 0.00 34 F 9.08 4.51 0.00 3.32 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 35 V 6.31 3.20 1.68 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 0.83 0.00 0.00 -0.29 0.00 0.00 36 E 7.97 3.87 0.00 2.18 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 2.27 2.23 0.00 37 Y 7.85 4.16 0.00 2.82 3.15 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 0.00 0.00 0.00 0.00 38 N 8.56 4.39 0.00 2.81 2.93 0.00 0.00 7.19 7.41 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 39 T 7.65 3.95 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 1.21 0.00 0.00 40 S 7.57 5.09 0.00 3.85 3.80 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 0.00 0.00 0.00 0.00 41 H 8.23 4.48 0.00 3.31 3.16 0.00 5.52 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 42 I 8.52 4.23 1.65 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.34 0.38 0.00 0.00 43 L 8.78 4.05 0.00 1.77 1.67 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.99 3.88 0.00 2.17 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 0.00 2.27 2.28 0.00 45 A 8.21 4.45 1.58 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 0.00 0.00 46 I 9.26 4.22 1.92 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 1.11 0.95 0.87 0.00 0.00 47 N 8.00 4.67 0.00 1.44 1.77 0.00 0.00 7.02 7.82 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 48 I 8.10 4.36 1.89 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 1.08 0.71 1.09 0.00 0.00 49 N 8.59 3.89 0.00 2.58 2.66 0.00 0.00 7.19 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 50 C 8.23 3.16 0.00 2.95 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 51 S 7.32 4.06 0.00 3.79 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.54 4.04 0.00 1.92 1.75 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.06 7.81 53 L 7.75 4.05 0.00 1.75 1.59 0.90 0.78 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 54 M 7.75 4.13 0.00 2.23 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 2.83 2.72 0.00 55 K 8.68 4.12 0.00 2.13 2.09 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.78 1.66 7.81 56 R 7.91 4.15 0.00 1.84 1.98 0.00 3.33 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 57 R 7.67 4.03 0.00 2.06 1.98 0.00 3.11 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 58 L 7.84 4.00 0.00 1.93 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.96 3.99 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 60 Q 7.77 4.16 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 61 D 7.73 4.45 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 62 K 8.18 4.43 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.50 7.81 63 V 7.29 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 64 L 8.54 4.43 0.00 1.75 1.61 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.19 3.72 1.89 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 1.73 1.54 0.98 0.00 0.00 66 T 7.90 4.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 67 E 8.01 3.90 0.00 2.08 2.27 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 2.48 2.42 0.00 68 L 8.07 4.10 0.00 1.71 1.96 0.94 1.06 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 69 I 8.24 4.01 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.94 0.00 0.00 70 Q 8.12 4.13 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 71 H 8.25 4.47 0.00 3.24 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.34 4.62 0.00 3.82 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 73 A 7.15 4.74 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 74 K 8.95 4.06 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *75 H 7.82 4.52 0.00 2.92 2.91 0.00 7.16 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.35 4.18 0.00 1.97 1.79 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.00 7.81 77 V 7.99 3.60 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 0.77 0.00 0.00 0.93 0.00 0.00 78 D 8.60 4.55 0.00 2.63 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 79 I 8.17 4.06 1.90 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 1.32 0.72 1.04 0.00 0.00 80 D 8.74 4.63 0.00 2.82 2.59 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 0.00 81 C 8.79 4.10 0.00 3.08 2.96 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 82 S 8.17 4.54 0.00 4.05 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 83 Q 8.16 4.31 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 84 K 8.87 4.20 0.00 1.70 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 85 V 8.76 4.55 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 0.54 0.00 0.00 0.15 0.00 0.00 86 V 8.68 4.89 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 0.98 0.00 0.00 0.94 0.00 0.00 87 V 8.80 4.93 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 0.98 0.00 0.00 0.88 0.00 0.00 88 Y 8.78 5.24 0.00 3.11 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 89 D 8.52 5.00 0.00 2.85 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 90 Q 9.07 4.27 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.02 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 91 S 7.61 5.15 0.00 3.92 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 92 S 8.68 4.36 0.00 4.16 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 93 Q 9.00 3.98 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 94 D 7.35 4.52 0.00 2.73 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 95 V 8.27 3.72 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 96 A 8.11 4.05 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 97 S 7.91 4.51 0.00 4.02 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 98 L 7.35 4.65 0.00 1.78 1.64 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.26 4.43 0.00 4.01 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 0.00 100 S 8.75 4.38 0.00 3.89 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 0.00 101 D 7.45 5.01 0.00 2.78 2.47 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 0.00 102 C 7.41 4.76 0.00 3.40 3.11 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 0.00 103 F 8.78 4.15 0.00 3.09 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 0.00 104 L 8.09 3.89 0.00 1.84 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.81 3.78 4.36 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 0.00 0.00 0.00 1.20 0.00 0.00 106 V 7.82 3.51 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 0.88 0.00 0.00 0.92 0.00 0.00 107 L 8.10 3.64 0.00 1.01 1.53 0.73 -0.08 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 0.00 108 L 8.53 4.07 0.00 1.64 1.67 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.99 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 0.00 110 K 7.79 4.08 0.00 1.69 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.53 1.57 7.81 111 L 7.89 4.22 0.00 1.92 1.76 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.30 4.14 0.00 2.01 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 2.34 2.44 0.00 113 K 7.55 4.14 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 114 S 7.58 4.35 0.00 3.74 3.33 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 0.00 115 F 7.85 5.01 0.00 3.07 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 0.00 116 N 9.04 4.40 0.00 2.79 2.91 0.00 0.00 6.84 7.60 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 0.00 117 S 8.06 4.68 0.00 3.78 3.80 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 0.00 0.00 0.00 0.00 118 V 8.21 4.75 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 0.76 0.00 0.00 1.03 0.00 0.00 119 H 9.34 5.21 0.00 3.02 3.12 0.00 5.66 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 0.00 120 L 8.69 4.62 0.00 1.82 1.56 1.02 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.02 4.75 0.00 1.87 1.67 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.26 4.53 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 0.00 123 G 9.57 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 0.00 124 G 8.29 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.03 4.20 0.00 3.38 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 0.00 126 A 8.11 3.97 1.44 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 0.00 127 E 8.05 3.99 0.00 2.02 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 2.31 2.30 0.00 128 F 7.88 3.99 0.00 3.09 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 0.00 129 S 7.24 4.20 0.00 3.80 2.63 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 0.00 0.00 0.00 0.00 130 R 7.22 4.11 0.00 1.85 2.02 0.00 3.16 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 131 C 7.60 4.36 0.00 2.75 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 0.00 0.00 0.00 0.00 132 F 8.09 4.65 0.00 2.17 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 0.00 133 P 0.00 4.28 0.00 2.14 2.06 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 134 G 8.03 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.24 4.65 0.00 2.11 1.90 0.86 0.98 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 0.00 136 C 7.53 5.44 0.00 3.15 3.05 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 0.00 0.00 0.00 137 E 8.74 4.47 0.00 1.95 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 2.11 2.22 0.00 138 G 8.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.