NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5035 8.1627 120.6235 55.3170 34.2231 173.4662 2 K 5.0212 8.6583 125.7305 53.8071 34.4716 171.7136 3 E 4.7407 10.0771 129.6330 54.6367 33.6178 174.1295 4 V 4.3964 8.6033 120.3141 61.3202 32.6538 175.4764 5 I 4.5798 8.7811 125.9413 59.9725 38.7259 175.2606 6 F 5.1668 8.5923 126.6510 57.1098 42.7912 173.5723 7 T 4.2249 7.8974 120.7984 60.4408 70.3602 174.2529 8 E 3.8775 8.4045 128.8773 58.6033 29.9134 177.1893 9 N 4.4228 7.7567 114.0650 54.5096 38.7715 174.3626 10 A 4.7620 7.0994 119.9713 48.8604 21.8740 174.2842 11 P 4.2751 0.0000 0.0000 62.2446 31.8080 176.8728 12 K 3.9498 8.7283 123.9982 56.2427 32.4833 174.1456 13 P 4.5084 0.0000 0.0000 62.2447 31.6182 175.4527 14 I 4.2006 8.3890 117.9044 60.7246 38.8673 175.0640 15 G 3.7660 8.7908 112.7053 43.5792 0.0000 170.6942 16 P 4.3778 0.0000 0.0000 61.6041 30.3587 173.8765 17 Y 5.0188 7.0329 114.6533 57.3191 42.6706 174.9274 18 S 5.0159 8.4250 116.0667 56.7159 66.4219 174.7200 19 Q 4.3229 8.7757 120.1588 58.9414 29.7484 175.9870 20 A 4.9123 7.4874 117.1398 51.3114 22.5958 175.2162 21 I 4.9490 8.6755 120.7068 59.3516 41.1344 174.5419 22 K 5.0337 9.3655 127.6947 54.7750 34.2510 174.7164 23 A 5.0306 9.4826 129.6298 49.8619 21.7027 175.5479 24 G 3.8089 9.0223 113.3656 47.8662 0.0000 174.2999 25 N 4.5522 8.7427 122.2054 53.0012 38.9861 173.8065 26 F 5.3244 8.3295 118.5599 55.8546 41.7809 174.6109 27 L 4.8654 8.5842 124.0543 53.3725 44.6150 175.1676 28 F 4.5705 9.5589 126.6601 56.1482 40.1178 174.8905 29 I 4.7621 8.2899 125.6096 59.5673 38.7546 176.0716 30 A 4.4286 8.8526 129.1706 51.4768 19.3862 177.3399 31 G 4.0029 8.4559 106.6506 46.2057 0.0000 173.0776 32 Q 4.9422 8.9335 124.2195 53.9726 31.2053 174.8897 33 I 4.8663 8.1713 116.7675 57.2411 40.8856 174.8784 34 P 4.5519 0.0000 0.0000 62.3709 29.8235 176.1908 35 I 4.3552 7.3367 118.5506 60.9061 38.7681 175.7360 36 D 4.5030 8.7016 125.7291 52.8343 40.6012 174.7093 37 P 4.4182 0.0000 0.0000 66.5209 31.2142 178.7675 38 K 4.1441 8.1656 119.5672 57.6985 31.9627 181.9618 39 T 4.0744 8.0418 109.1619 62.3007 69.0984 176.1353 40 G 3.9375 8.8940 109.2172 44.6857 0.0000 172.5270 41 E 4.7354 7.8316 119.0536 54.1913 32.6210 175.4671 42 I 4.2963 8.1530 122.3849 61.3041 37.6833 176.5527 43 V 3.8049 8.3663 129.6419 63.3976 32.0697 176.6835 44 K 4.1369 8.4527 128.0141 54.9760 32.4157 175.2365 45 G 4.0075 8.5713 105.9898 44.5523 0.0000 172.5637 46 D 4.7769 8.2735 119.1433 52.3628 43.1507 176.1080 47 I 3.7223 8.3340 117.3516 64.3321 37.8300 178.2490 48 K 4.0052 8.3767 120.5198 59.2973 31.9192 178.2456 49 D 4.4766 8.2813 118.7817 56.5933 40.7850 178.6986 50 Q 4.0268 7.9258 118.5205 58.7825 28.8284 178.2850 51 T 3.7329 7.9283 116.7703 66.5418 68.4691 176.2562 52 R 3.6889 7.5645 120.0374 59.6418 29.9895 177.8350 53 Q 3.8862 7.7572 118.3711 59.3064 29.0070 178.5540 54 V 3.5258 7.7912 118.9580 66.2903 31.5183 177.9824 55 L 3.6753 7.7787 118.5213 57.5071 41.1837 179.4994 56 E 4.0474 8.1479 118.6970 59.4589 29.4581 179.0148 57 N 4.2990 8.2003 116.4548 56.3871 38.5414 177.3168 58 I 3.7029 7.7658 121.0640 64.4720 37.2324 178.2104 59 K 3.9300 8.3129 120.0747 59.4855 32.0101 178.5433 60 A 3.9767 7.9883 120.8582 55.3854 18.5239 179.6939 61 I 3.6584 7.8298 118.2566 64.3088 37.0765 178.6674 62 L 4.0710 8.2204 120.0623 58.0785 41.5557 179.4650 63 E 4.1329 8.4280 118.1898 59.3722 29.1958 179.0447 64 A 4.2228 7.9741 118.7164 53.5881 18.5190 178.2477 65 A 4.7012 7.3495 116.8009 51.1579 19.5590 177.1208 66 G 3.8270 7.9911 105.6693 46.6138 0.0000 173.3661 67 Y 4.6543 8.0860 116.6569 55.9538 40.5733 174.6723 68 S 4.8946 8.8790 114.4945 56.1482 65.3775 174.8399 69 L 4.4637 8.4372 123.3139 57.5635 41.4980 178.6519 70 N 4.7046 8.1505 115.0630 54.9797 39.3260 174.9546 71 D 4.6247 8.6355 117.6887 56.1545 41.6013 176.4993 72 V 4.0886 7.4911 118.4368 63.4601 31.7306 175.2193 73 I 4.4444 9.0089 120.7356 61.0894 40.0388 175.2927 74 K 5.0121 7.6589 123.6233 55.0187 35.9383 174.5334 75 V 4.7882 8.8872 126.6076 61.3280 35.0827 174.0449 76 T 4.8901 8.8118 123.9092 61.7372 71.6990 172.9633 77 V 4.7666 8.5142 127.2778 61.3286 33.9847 173.6700 78 Y 5.0827 9.3593 126.4484 56.5213 39.8676 174.9853 79 L 5.1645 8.7487 123.2476 53.0846 45.4784 177.3567 80 K 4.1880 8.5622 124.4342 57.6041 32.3521 180.1744 81 D 5.4151 7.4419 114.5963 52.5327 41.4319 177.0005 *89 N 4.6918 7.8951 118.7189 53.5698 40.1765 174.6224 90 E 4.0932 8.7047 121.9226 59.4585 29.2684 179.4201 91 V 3.5886 7.8677 118.9809 66.3651 31.3953 177.4432 92 Y 4.1114 7.9459 115.7697 60.9177 37.6919 178.2685 93 A 4.1427 8.0681 122.1001 54.9864 18.2241 179.5428 94 E 3.8366 8.1034 116.0116 59.8136 29.7139 178.5326 95 Y 4.0678 7.5075 114.9025 59.1863 38.2560 176.4085 96 F 5.2940 8.3229 116.4688 57.0666 40.2644 177.0087 97 G 3.7212 8.4311 111.0797 47.6444 0.0000 175.0294 98 E 4.3685 8.2517 118.6476 57.8968 30.4182 177.3394 99 S 4.3454 8.2812 111.7780 58.5110 64.4816 174.2245 100 K 3.8603 8.2161 119.1172 56.9144 29.5158 171.9721 101 P 4.6752 0.0000 0.0000 61.8685 33.1141 177.6703 102 A 4.2061 8.5828 123.4020 51.9497 19.4901 176.6299 103 R 4.9437 8.4461 121.3895 54.3827 33.0620 174.8757 104 V 4.4802 8.4776 124.6119 61.0005 34.7570 174.0723 105 A 4.9721 8.3655 128.1687 50.5748 22.0309 175.3206 106 V 4.5100 8.4240 114.1992 60.0361 37.2476 173.5981 107 E 5.2332 8.6972 120.6804 54.9477 31.8520 175.7954 108 V 4.7295 9.0895 116.4345 59.4044 35.7717 177.1684 109 S 4.1556 8.8842 117.5575 61.1904 62.7194 175.1431 110 R 4.4598 7.3346 111.7966 55.5383 31.2015 173.3314 111 L 4.6708 8.0564 118.6990 51.9043 44.6949 174.6245 112 P 4.3294 0.0000 0.0000 63.6792 31.6798 176.5715 113 K 3.5275 9.1107 117.3028 59.4154 29.8819 174.4592 114 D 4.3195 8.1168 112.1366 55.2529 39.6652 173.4045 115 V 4.0424 7.4242 112.0818 60.9251 32.6139 176.3151 116 L 4.5275 8.8751 119.2154 55.9143 42.7695 176.8235 117 I 4.7827 7.3825 117.1399 59.8475 41.2126 173.1072 118 E 5.0146 9.5193 129.1967 54.5528 33.4416 174.1705 119 I 5.3360 8.6107 126.0293 59.6074 40.9960 174.4551 120 E 5.1137 9.4506 125.0216 55.0855 32.8424 174.5609 121 A 5.1054 8.0461 120.1367 51.2500 23.4811 175.2902 122 I 4.9635 8.5859 119.1597 59.4820 41.3333 174.7404 123 A 5.3643 8.6735 126.8118 50.3759 22.7311 174.1906 124 Y 5.1690 9.0620 120.4141 55.9208 42.2440 175.1342 125 K 4.1139 7.3711 126.3571 55.0050 35.2848 175.5397 126 E 3.7730 8.2554 124.7310 56.4016 29.8505 176.3048 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 M 8.16 4.50 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 K 8.66 5.02 0.00 1.90 1.69 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 3 E 10.08 4.74 0.00 2.06 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 2.26 2.33 0.00 4 V 8.60 4.40 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 0.77 0.00 0.00 0.98 0.00 0.00 5 I 8.78 4.58 2.02 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 1.13 0.46 0.94 0.00 0.00 6 F 8.59 5.17 0.00 2.94 2.93 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 7 T 7.90 4.22 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 1.03 0.00 0.00 8 E 8.40 3.88 0.00 1.95 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 2.28 2.38 0.00 9 N 7.76 4.42 0.00 2.72 2.82 0.00 0.00 6.73 6.89 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 10 A 7.10 4.76 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.28 0.00 2.06 2.02 0.00 3.84 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 2.02 2.20 0.00 12 K 8.73 3.95 0.00 1.79 1.80 0.00 1.94 0.00 0.00 1.95 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.60 7.81 13 P 0.00 4.51 0.00 2.53 2.22 0.00 4.15 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 14 I 8.39 4.20 1.92 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 1.41 0.73 0.95 0.00 0.00 15 G 8.79 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 16 P 0.00 4.38 0.00 1.79 1.85 0.00 3.33 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.65 0.00 17 Y 7.03 5.02 0.00 2.99 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 18 S 8.42 5.02 0.00 3.91 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 19 Q 8.78 4.32 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 20 A 7.49 4.91 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.68 4.95 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 1.01 0.00 0.00 22 K 9.37 5.03 0.00 1.82 1.86 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 23 A 9.48 5.03 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 24 G 9.02 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 0.00 0.00 0.00 25 N 8.74 4.55 0.00 2.36 2.12 0.00 0.00 6.76 8.13 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 26 F 8.33 5.32 0.00 3.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.87 0.00 0.71 0.87 0.81 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.56 4.57 0.00 3.00 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 29 I 8.29 4.76 1.90 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 1.13 0.86 0.99 0.00 0.00 30 A 8.85 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 31 G 8.46 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 32 Q 8.93 4.94 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 33 I 8.17 4.87 1.87 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 1.39 0.65 0.90 0.00 0.00 34 P 0.00 4.55 0.00 2.23 2.46 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 35 I 7.34 4.36 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.91 0.00 0.00 36 D 8.70 4.50 0.00 2.77 2.57 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 37 P 0.00 4.42 0.00 2.19 2.11 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 38 K 8.17 4.14 0.00 1.80 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 0.99 7.81 39 T 8.04 4.07 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 1.27 0.00 0.00 40 G 8.89 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 41 E 7.83 4.74 0.00 1.91 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 2.24 2.41 0.00 42 I 8.15 4.30 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 0.47 0.97 0.00 0.00 43 V 8.37 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 0.68 0.00 0.00 1.07 0.00 0.00 44 K 8.45 4.14 0.00 1.82 1.58 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 45 G 8.57 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 46 D 8.27 4.78 0.00 2.92 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 47 I 8.33 3.72 1.89 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 1.55 1.35 0.93 0.00 0.00 48 K 8.38 4.01 0.00 2.00 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 49 D 8.28 4.48 0.00 2.90 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 50 Q 7.93 4.03 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 51 T 7.93 3.73 4.12 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 0.83 0.00 0.00 52 R 7.56 3.69 0.00 1.93 2.05 0.00 3.10 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 53 Q 7.76 3.89 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 54 V 7.79 3.53 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 0.97 0.00 0.00 1.00 0.00 0.00 55 L 7.78 3.68 0.00 0.80 0.13 0.05 0.87 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 56 E 8.15 4.05 0.00 2.17 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 2.47 2.58 0.00 57 N 8.20 4.30 0.00 2.87 2.97 0.00 0.00 7.07 7.03 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 58 I 7.77 3.70 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 1.44 0.86 1.02 0.00 0.00 59 K 8.31 3.93 0.00 2.17 2.14 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.54 7.81 60 A 7.99 3.98 1.37 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 0.00 0.00 0.00 61 I 7.83 3.66 1.99 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 1.49 1.05 0.90 0.00 0.00 62 L 8.22 4.07 0.00 1.94 1.81 1.06 1.32 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 63 E 8.43 4.13 0.00 2.03 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 2.37 2.70 0.00 64 A 7.97 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.35 4.70 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 66 G 7.99 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 67 Y 8.09 4.65 0.00 3.07 2.93 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 68 S 8.88 4.89 0.00 3.81 3.68 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 69 L 8.44 4.46 0.00 1.80 1.98 0.82 0.71 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 70 N 8.15 4.70 0.00 2.70 2.87 0.00 0.00 6.98 8.47 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 71 D 8.64 4.62 0.00 3.17 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 72 V 7.49 4.09 2.31 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 0.56 0.00 0.00 1.21 0.00 0.00 73 I 9.01 4.44 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 1.07 0.00 0.00 74 K 7.66 5.01 0.00 1.81 1.58 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.45 7.81 75 V 8.89 4.79 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 0.87 0.00 0.00 0.21 0.00 0.00 76 T 8.81 4.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 77 V 8.51 4.77 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 1.06 0.00 0.00 0.93 0.00 0.00 78 Y 9.36 5.08 0.00 2.95 2.88 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 0.00 0.00 0.00 79 L 8.75 5.16 0.00 1.58 1.55 0.92 0.62 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 80 K 8.56 4.19 0.00 1.80 1.84 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.37 7.81 81 D 7.44 5.42 0.00 2.68 2.44 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 *89 N 7.90 4.69 0.00 3.04 2.97 0.00 0.00 6.80 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 90 E 8.70 4.09 0.00 2.26 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 0.00 2.39 2.39 0.00 91 V 7.87 3.59 1.69 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 0.89 0.00 0.00 0.86 0.00 0.00 92 Y 7.95 4.11 0.00 3.28 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 93 A 8.07 4.14 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 94 E 8.10 3.84 0.00 2.06 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 2.26 2.57 0.00 95 Y 7.51 4.07 0.00 2.15 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 0.00 0.00 0.00 0.00 96 F 8.32 5.29 0.00 3.27 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 97 G 8.43 3.72 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 0.00 0.00 0.00 98 E 8.25 4.37 0.00 2.03 2.17 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 2.27 2.30 0.00 99 S 8.28 4.35 0.00 4.29 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 0.00 100 K 8.22 3.86 0.00 1.87 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.44 7.81 101 P 0.00 4.68 0.00 1.65 1.88 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.20 0.00 102 A 8.58 4.21 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 0.00 103 R 8.45 4.94 0.00 1.67 1.68 0.00 2.99 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 104 V 8.48 4.48 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.86 0.00 0.00 105 A 8.37 4.97 1.07 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 0.00 106 V 8.42 4.51 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 0.62 0.00 0.00 0.82 0.00 0.00 107 E 8.70 5.23 0.00 1.90 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 0.00 2.30 2.30 0.00 108 V 9.09 4.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 109 S 8.88 4.16 0.00 3.86 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 0.00 110 R 7.33 4.46 0.00 1.85 1.84 0.00 2.99 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 111 L 8.06 4.67 0.00 1.78 1.60 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.33 0.00 2.14 1.93 0.00 3.69 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 2.03 2.04 0.00 113 K 9.11 3.53 0.00 1.83 1.84 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 114 D 8.12 4.32 0.00 2.68 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 0.00 115 V 7.42 4.04 2.25 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 0.80 0.00 0.00 1.02 0.00 0.00 116 L 8.88 4.53 0.00 1.60 1.71 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.38 4.78 1.92 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 1.30 0.77 0.93 0.00 0.00 118 E 9.52 5.01 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 119 I 8.61 5.34 1.95 0.00 0.00 1.00 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 0.67 1.10 0.00 0.00 120 E 9.45 5.11 0.00 2.06 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 0.00 2.52 2.34 0.00 121 A 8.05 5.11 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.59 4.96 1.80 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 1.08 0.83 0.64 0.00 0.00 123 A 8.67 5.36 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 0.00 124 Y 9.06 5.17 0.00 2.88 2.80 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 0.00 125 K 7.37 4.11 0.00 1.01 0.87 0.00 1.29 0.00 0.00 0.96 0.00 0.00 2.61 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.94 1.04 7.81 126 E 8.26 3.77 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.