NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4988 8.3349 115.4127 58.3454 64.9861 172.9955 3 N 4.9322 8.0197 120.5520 53.1665 41.1896 172.1272 4 T 4.8215 9.1761 117.0804 63.1119 73.3693 173.1452 5 L 4.8783 8.1664 119.5453 53.6184 43.8312 176.2294 6 F 4.7747 7.7138 118.7847 57.9979 42.4370 171.9615 7 D 4.7477 7.0508 123.3280 52.5571 44.5042 173.5829 8 D 4.2974 7.5228 123.2791 54.4966 46.0511 174.5613 9 I 5.3242 7.9211 120.1534 59.6487 41.4026 174.9606 10 F 5.4332 9.4749 122.7676 56.0269 44.1679 173.2784 11 Q 5.5245 9.0720 120.5365 53.1086 32.0717 174.2833 12 V 4.1944 8.5710 126.5132 63.3321 31.8410 176.4156 13 S 4.3204 9.1279 124.9828 61.0686 63.3855 174.2848 14 E 4.8455 7.5694 117.7295 55.4566 32.5780 174.8572 15 V 4.5714 8.5976 124.8202 61.1038 34.3461 174.1710 16 D 4.8348 8.9468 126.7719 52.1116 44.0001 172.5448 17 P 4.6046 0.0000 0.0000 60.8049 31.1820 175.6472 18 G 3.7095 8.0066 121.0936 44.7442 0.0000 171.3338 19 R 3.9262 7.7593 114.0673 58.2650 27.7532 177.4414 20 Y 5.1330 7.5003 113.7458 55.3248 38.3290 175.8329 21 N 4.2414 8.3460 120.0453 55.6285 38.9017 175.9663 22 K 4.5415 8.0262 114.2425 55.9278 33.5622 175.3163 23 V 4.8729 7.9562 118.8039 61.7247 34.8835 173.3919 24 C 5.2120 9.0748 124.6850 57.9055 31.9524 173.2836 25 R 4.6022 8.6465 123.1346 56.1182 31.2640 175.1355 26 I 5.1474 8.7581 125.6657 59.5639 41.3740 174.2237 27 E 5.7966 8.9239 122.8139 53.7582 32.9396 174.8920 28 A 5.3135 8.5899 124.1989 50.5759 23.6654 173.9490 29 A 5.1605 8.9058 120.1797 50.3401 22.5128 175.6238 30 S 4.4609 8.1338 112.6478 56.7649 63.6703 174.9697 31 T 4.5364 7.1059 123.2698 61.8730 69.1534 173.6563 32 T 4.1452 7.3699 124.0557 63.8812 76.4400 177.1957 33 Q 4.1615 9.0717 129.7290 56.7975 29.6401 176.4730 34 D 4.9025 8.7458 121.7543 55.0850 40.6925 176.9509 35 Q 4.2768 8.0896 119.2831 57.7852 29.8454 175.7496 36 C 5.0755 7.9116 121.6875 59.7916 31.8116 172.3183 37 K 4.8402 8.5007 124.9574 54.6625 34.6810 175.5840 38 L 4.8854 8.8983 122.9556 53.8598 46.1178 175.4477 39 T 4.9556 8.5711 120.9707 61.9297 72.3171 172.7844 40 L 5.1049 9.4802 129.8559 53.3667 45.6962 175.1127 41 D 4.9392 9.0242 126.9217 54.7656 41.7962 175.9590 42 I 4.7370 8.6813 121.7012 59.9131 42.5877 174.2547 43 N 5.0892 9.6562 125.5300 52.7877 38.6406 175.3742 44 V 4.1244 7.8517 129.9483 63.3384 31.8936 176.6669 45 E 4.4376 8.4843 118.5943 57.0919 31.6297 176.0332 46 L 4.4274 8.9147 116.0570 55.1667 42.3330 177.4341 47 F 4.8340 7.2744 117.8564 56.3733 40.9570 171.4245 48 P 4.2955 0.0000 0.0000 62.3458 32.1387 176.4941 49 V 4.0618 7.8954 119.1511 61.9798 34.2240 173.0764 50 A 4.7008 7.8471 129.6050 49.5326 21.4233 175.6699 51 A 3.8288 8.4697 121.6688 53.9893 18.6175 176.7420 52 Q 3.4285 8.8200 122.4754 56.4833 26.2003 172.5749 53 D 4.8363 8.0246 120.7023 53.0972 46.4020 174.5338 54 S 5.2657 8.6993 115.2670 57.0297 62.8119 172.8317 55 L 4.8463 8.6239 127.7787 54.1290 44.4804 175.3469 56 T 5.0961 8.2472 118.8835 62.1624 70.7681 173.6819 57 V 4.8710 8.6331 126.7874 61.3944 33.7856 174.7364 58 T 5.3272 8.0182 121.1468 62.2225 73.7570 175.2437 59 I 5.0726 8.3608 123.5127 58.8817 37.8268 178.9544 60 A 4.1035 9.3293 130.6135 53.2664 18.0728 178.3183 61 S 4.8897 7.9201 113.7496 54.7663 62.3455 172.4397 62 S 4.0581 7.5931 116.0932 60.2862 65.9876 179.1268 63 L 3.2531 7.7105 118.6977 56.9003 37.5217 176.5757 *76 T 4.1408 7.2962 108.8951 63.4834 70.3240 171.5862 77 R 3.9660 8.2224 126.7806 54.9395 30.6062 176.7677 78 S 4.1801 8.7874 115.5921 58.6420 63.1487 173.8532 79 W 4.4608 8.8760 133.1170 56.8916 31.0177 175.6837 80 R 3.9944 8.0593 125.3456 54.6211 31.3269 175.5886 81 P 4.1255 0.0000 0.0000 61.1614 32.1609 174.9181 82 P 4.4664 0.0000 0.0000 63.4409 30.0051 177.2392 83 Q 3.7357 9.7214 121.2906 57.3212 27.6695 175.5813 84 A 4.1404 7.6738 115.2852 53.0043 17.7499 178.9638 85 G 3.7929 8.2547 108.0426 48.7413 0.0000 174.4943 86 D 4.7414 7.7822 116.9159 54.0002 42.6188 174.6182 87 R 4.8283 7.8253 118.7927 53.6877 32.6485 175.8280 88 S 4.2863 8.3556 112.7188 60.2672 63.3558 174.8491 89 L 4.5414 7.7678 116.9961 54.7543 43.7622 175.6638 90 A 4.5728 8.0869 126.2271 52.4670 18.5181 177.8323 91 D 5.0110 8.7517 117.9551 55.2113 39.6823 178.1113 92 D 4.6446 8.4597 114.9354 55.7871 40.1560 175.3750 93 Y 4.9852 8.7143 119.3338 56.5756 40.7610 174.5653 94 D 5.0649 9.3793 118.4860 54.7682 43.2015 175.9631 95 Y 4.5765 7.6292 120.6904 56.2573 42.0759 173.6848 96 V 5.1145 8.5845 126.1543 60.9130 34.0452 174.1741 97 M 4.5323 8.0233 127.7898 54.1934 35.1657 174.4949 98 Y 5.1648 8.2557 120.1417 57.0416 41.3307 173.7085 99 G 3.6513 8.7936 116.3200 45.9733 0.0000 171.5305 100 T 5.0495 9.3465 118.6305 60.5792 73.5753 172.7520 101 A 4.4666 8.3697 124.3138 49.8130 20.2466 175.8904 102 Y 4.4261 8.3687 120.6899 58.1894 39.5795 175.6566 103 K 4.7604 7.1170 121.2519 53.9538 36.1599 174.4665 104 F 4.9232 8.9662 123.6086 55.6637 39.7883 174.5213 105 E 4.3488 8.9169 124.4430 55.6076 31.5490 174.7486 106 E 4.8452 8.4727 123.4518 53.2551 29.5494 177.1975 107 V 3.8035 7.7555 128.9158 62.8677 30.3947 175.1701 108 S 3.6175 8.3245 119.3965 58.0671 64.7942 173.2467 109 K 3.6170 8.2543 118.3477 58.1144 30.1793 176.5368 110 D 4.9375 8.5711 117.9962 54.4114 40.2096 176.4526 111 L 4.9164 7.7988 119.5978 54.1974 44.5173 176.2210 112 I 4.6540 8.1959 123.3271 59.3599 40.3059 174.5675 113 A 5.1101 8.4311 127.6682 49.2929 22.5069 175.2254 114 V 4.4309 7.7024 112.1103 59.6600 35.6533 174.4536 115 Y 4.8469 8.2719 121.6576 56.9012 40.2650 174.3307 116 Y 4.7328 9.0257 118.7923 56.6228 43.0218 174.4738 117 S 4.7776 8.9708 115.6739 57.1061 65.9548 173.5161 118 F 4.6458 8.8782 126.7131 56.0533 38.1588 175.5964 119 G 3.8317 8.7712 113.0234 46.3011 0.0000 170.6834 120 G 3.7986 7.2058 106.1540 45.0565 0.0000 173.5751 121 L 4.6601 7.8965 120.3356 53.0947 43.1030 176.7869 122 L 5.0798 9.9713 125.9434 54.9612 43.6744 175.7715 123 M 5.2690 9.0072 118.8411 54.6353 36.3922 173.3343 124 R 4.6041 9.5134 125.3087 54.3500 33.6056 173.6183 125 L 4.9156 8.0907 126.9376 53.3572 46.0310 174.5334 126 E 4.6600 7.9530 122.8667 53.2018 33.1348 173.5758 127 G 4.1890 7.7675 117.2703 45.7757 0.0000 174.4674 128 N 4.6709 8.0887 131.8611 53.5310 40.3388 173.5910 129 Y 4.6427 6.4792 114.9805 58.0013 38.9714 176.0576 130 R 4.6336 7.5180 119.7671 56.7019 30.4211 177.7938 131 N 4.3094 7.7195 119.0281 56.1256 38.5471 175.9163 132 L 4.7541 7.9045 113.1518 54.5540 42.9415 176.8024 133 N 4.6067 8.0959 116.6975 55.4728 39.1934 175.3873 134 N 4.5889 8.0246 117.8323 53.1203 38.9740 176.1626 135 L 4.4613 8.3732 126.4830 54.6823 42.5867 177.7608 136 K 4.7306 8.4634 120.9768 57.0318 34.2952 176.0968 137 Q 4.4312 7.9050 118.3150 54.4425 29.8650 175.5447 138 E 3.9963 8.8542 119.4117 59.6698 29.8115 176.1802 139 N 4.5309 7.6827 112.9653 52.3432 38.9201 174.9237 140 A 5.5753 8.3306 130.3799 52.7108 20.4470 174.2126 141 Y 4.5499 8.6419 119.1299 57.4964 39.7078 174.6156 142 L 5.0637 8.9683 125.1249 53.4892 45.0028 175.0065 143 L 5.0980 7.9807 122.1565 53.4494 46.5681 175.3852 144 I 5.6468 8.6165 120.5466 60.3699 42.0525 174.2364 145 R 4.9517 8.4163 121.1624 55.6063 33.2963 175.3981 146 R 4.3080 8.6723 119.3557 56.9088 30.5306 176.2001 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.50 0.00 3.99 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 3 N 8.02 4.93 0.00 2.78 2.75 0.00 0.00 6.93 6.65 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 4 T 9.18 4.82 4.28 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 1.26 0.00 0.00 5 L 8.17 4.88 0.00 1.75 1.74 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 4.77 0.00 3.14 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 7 D 7.05 4.75 0.00 2.55 2.28 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 8 D 7.52 4.30 0.00 2.57 2.40 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 9 I 7.92 5.32 1.81 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 1.27 1.35 1.02 0.00 0.00 10 F 9.47 5.43 0.00 2.94 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 11 Q 9.07 5.52 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 12 V 8.57 4.19 2.23 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 1.06 0.00 0.00 0.99 0.00 0.00 13 S 9.13 4.32 0.00 3.93 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 14 E 7.57 4.85 0.00 2.03 1.78 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 2.16 2.17 0.00 15 V 8.60 4.57 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 0.86 0.00 0.00 1.03 0.00 0.00 16 D 8.95 4.83 0.00 2.83 2.49 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 17 P 0.00 4.60 0.00 2.13 2.10 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 18 G 8.01 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 19 R 7.76 3.93 0.00 1.81 2.05 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 20 Y 7.50 5.13 0.00 2.99 2.82 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 0.00 21 N 8.35 4.24 0.00 2.74 2.96 0.00 0.00 7.06 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 22 K 8.03 4.54 0.00 1.74 1.76 0.00 1.64 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 23 V 7.96 4.87 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 0.78 0.00 0.00 0.99 0.00 0.00 24 C 9.07 5.21 0.00 2.95 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 25 R 8.65 4.60 0.00 2.17 1.84 0.00 3.08 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 I 8.76 5.15 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.92 0.00 0.00 27 E 8.92 5.80 0.00 1.93 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 0.00 2.21 2.08 0.00 28 A 8.59 5.31 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 29 A 8.91 5.16 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 30 S 8.13 4.46 0.00 3.78 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 31 T 7.11 4.54 4.15 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 1.17 0.00 0.00 32 T 7.37 4.15 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 1.15 0.00 0.00 33 Q 9.07 4.16 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.20 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 34 D 8.75 4.90 0.00 2.68 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 35 Q 8.09 4.28 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 C 7.91 5.08 0.00 3.13 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 37 K 8.50 4.84 0.00 1.66 1.72 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.69 7.81 38 L 8.90 4.89 0.00 1.44 1.25 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.57 4.96 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 1.28 0.00 0.00 40 L 9.48 5.10 0.00 1.52 1.34 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.02 4.94 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 42 I 8.68 4.74 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 1.02 0.77 1.36 0.00 0.00 43 N 9.66 5.09 0.00 2.82 2.68 0.00 0.00 6.78 8.57 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 44 V 7.85 4.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.09 0.00 0.00 45 E 8.48 4.44 0.00 1.90 2.03 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 2.15 2.27 0.00 46 L 8.91 4.43 0.00 1.45 1.61 0.83 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.27 4.83 0.00 2.68 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 48 P 0.00 4.30 0.00 1.93 1.88 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 49 V 7.90 4.06 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 0.73 0.00 0.00 0.71 0.00 0.00 50 A 7.85 4.70 1.15 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 0.00 0.00 51 A 8.47 3.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.82 3.43 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 53 D 8.02 4.84 0.00 2.58 2.56 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 54 S 8.70 5.27 0.00 3.89 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 55 L 8.62 4.85 0.00 1.72 1.76 1.06 1.05 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 56 T 8.25 5.10 4.38 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 1.35 0.00 0.00 57 V 8.63 4.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.68 0.00 0.00 58 T 8.02 5.33 4.10 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 1.34 0.00 0.00 59 I 8.36 5.07 1.97 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 1.19 1.78 0.95 0.00 0.00 60 A 9.33 4.10 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 61 S 7.92 4.89 0.00 4.04 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 62 S 7.59 4.06 0.00 3.87 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 63 L 7.71 3.25 0.00 1.67 1.87 0.89 0.72 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 *76 T 7.30 4.14 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 1.31 0.00 0.00 77 R 8.22 3.97 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 78 S 8.79 4.18 0.00 4.07 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 79 W 8.88 4.46 0.00 3.34 3.23 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 80 R 8.06 3.99 0.00 1.60 1.60 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 81 P 0.00 4.13 0.00 1.84 1.39 0.00 3.40 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 82 P 0.00 4.47 0.00 2.15 1.46 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 83 Q 9.72 3.74 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.67 4.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.25 3.79 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 0.00 0.00 0.00 86 D 7.78 4.74 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.83 4.83 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 88 S 8.36 4.29 0.00 3.95 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 89 L 7.77 4.54 0.00 1.70 1.86 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 4.57 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 91 D 8.75 5.01 0.00 2.88 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 92 D 8.46 4.64 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.71 4.99 0.00 2.79 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 94 D 9.38 5.06 0.00 2.68 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.63 4.58 0.00 1.88 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 0.00 0.00 0.00 96 V 8.58 5.11 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 1.12 0.00 0.00 0.92 0.00 0.00 97 M 8.02 4.53 0.00 1.53 0.99 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.59 0.00 98 Y 8.26 5.16 0.00 2.20 2.56 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 99 G 8.79 3.65 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 0.00 100 T 9.35 5.05 4.09 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 1.13 0.00 0.00 101 A 8.37 4.47 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.37 4.43 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.12 4.76 0.00 1.78 1.46 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.47 7.81 104 F 8.97 4.92 0.00 2.84 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 0.00 105 E 8.92 4.35 0.00 2.26 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 0.00 2.35 2.35 0.00 106 E 8.47 4.85 0.00 1.88 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 0.00 2.22 2.30 0.00 107 V 7.76 3.80 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 0.78 0.00 0.00 0.92 0.00 0.00 108 S 8.32 3.62 0.00 4.19 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.25 3.62 0.00 1.91 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.57 4.94 0.00 2.78 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 0.00 111 L 7.80 4.92 0.00 1.99 1.58 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.20 4.65 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.01 0.92 0.00 0.00 113 A 8.43 5.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.70 4.43 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 -0.23 0.00 0.00 0.73 0.00 0.00 115 Y 8.27 4.85 0.00 1.87 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 0.00 0.00 0.00 116 Y 9.03 4.73 0.00 2.72 2.42 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 0.00 117 S 8.97 4.78 0.00 3.76 3.48 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 0.00 118 F 8.88 4.65 0.00 3.09 3.07 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 0.00 119 G 8.77 3.83 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 0.00 0.00 0.00 120 G 7.21 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 0.00 121 L 7.90 4.66 0.00 1.86 1.75 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.97 5.08 0.00 1.76 1.79 1.01 0.70 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 0.00 123 M 9.01 5.27 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 124 R 9.51 4.60 0.00 1.57 1.50 0.00 2.93 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 125 L 8.09 4.92 0.00 1.47 1.12 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.95 4.66 0.00 1.94 1.65 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 2.20 2.19 0.00 127 G 7.77 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 0.00 0.00 0.00 128 N 8.09 4.67 0.00 2.76 2.81 0.00 0.00 6.79 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 6.48 4.64 0.00 3.26 3.25 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 0.00 130 R 7.52 4.63 0.00 1.94 2.11 0.00 2.97 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 131 N 7.72 4.31 0.00 2.74 2.97 0.00 0.00 6.64 7.74 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 0.00 132 L 7.90 4.75 0.00 1.65 1.69 0.96 1.02 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 0.00 133 N 8.10 4.61 0.00 2.89 3.14 0.00 0.00 6.94 7.42 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 0.00 134 N 8.02 4.59 0.00 2.78 2.96 0.00 0.00 6.92 7.85 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 0.00 135 L 8.37 4.46 0.00 1.75 1.72 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.46 4.73 0.00 1.53 1.43 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.34 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.20 7.81 137 Q 7.90 4.43 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 138 E 8.85 4.00 0.00 2.00 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 2.50 2.27 0.00 139 N 7.68 4.53 0.00 2.90 2.94 0.00 0.00 6.73 7.35 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 0.00 140 A 8.33 5.58 1.77 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 0.00 141 Y 8.64 4.55 0.00 2.84 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 0.00 142 L 8.97 5.06 0.00 1.43 0.97 0.79 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.98 5.10 0.00 0.81 0.21 0.83 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.62 5.65 1.51 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.87 0.92 0.00 0.00 145 R 8.42 4.95 0.00 1.80 1.97 0.00 2.79 0.00 0.00 2.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 146 R 8.67 4.31 0.00 2.04 2.09 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.