NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2985 8.0327 115.2496 61.7475 68.4559 174.3024 4 T 3.6401 8.6137 120.8048 64.1597 67.0416 173.2113 5 A 4.4325 8.5895 124.8867 54.1505 20.3769 178.1662 6 E 4.2469 8.2863 113.9619 58.0814 29.8614 178.1604 7 Q 4.4798 7.9450 117.5138 56.9735 29.2670 177.4172 8 I 3.5018 7.3076 120.8812 64.0701 37.1727 176.3810 9 P 4.0758 0.0000 0.0000 65.5033 31.3136 178.6600 10 F 4.2054 7.8573 116.1046 60.7155 38.8639 177.6352 11 Q 3.7996 8.1641 117.7699 58.6687 28.2225 178.7175 12 L 3.9253 8.2147 120.5713 57.8930 41.5862 179.6692 13 I 3.6540 7.8238 119.7772 64.0660 36.9731 178.2216 14 L 3.9073 7.7837 120.8055 58.3896 42.0354 178.8475 15 N 4.4213 8.1467 116.3390 56.3777 38.3860 177.7138 16 S 4.2493 8.5173 117.0917 61.5055 62.9418 176.9753 17 G 3.6322 8.3047 108.6473 47.8571 0.0000 175.5120 18 N 4.0987 8.2802 118.8671 55.7604 38.5396 177.2777 19 A 4.2084 8.1562 122.1875 55.3349 18.2835 179.6342 20 R 3.8730 7.8600 115.7771 59.6685 30.2181 178.5877 21 S 4.1964 7.7756 113.7680 61.6064 63.0586 176.2523 22 F 4.9278 8.7253 121.8586 59.9800 38.6551 177.9702 23 A 4.2065 8.0985 116.1644 53.2484 17.5996 178.7800 *25 E 3.9766 8.1330 121.4266 57.6427 31.8018 178.1453 26 A 4.3397 8.5705 120.8143 55.2877 18.3776 179.4618 27 L 3.9076 8.0145 118.7435 58.3473 41.7429 178.8945 28 Q 3.7977 7.9015 119.0033 59.0224 28.9672 178.1672 29 F 4.4095 7.9899 118.5513 60.7001 39.0195 177.4639 30 A 4.0281 8.2710 120.4602 55.0746 17.9036 179.5054 31 K 2.8885 7.6617 117.2562 58.8876 32.2085 178.0057 32 Q 4.4040 7.3925 115.1383 55.1630 29.0033 176.6557 33 G 3.9595 7.9450 108.3904 45.3877 0.0000 174.0866 34 K 4.0536 7.9609 120.0076 55.7635 33.2217 177.5807 *36 A 4.2408 8.5607 125.5254 52.3328 20.5822 178.7753 37 E 3.6901 7.8087 114.5798 59.1762 29.0660 179.3537 38 A 4.1664 7.5559 119.7545 55.1824 18.5478 179.0623 39 D 4.4587 7.9653 115.9263 57.5000 41.3492 178.1687 40 E 4.0580 8.1163 119.4971 58.9580 29.5944 179.9596 41 A 4.0499 7.8860 120.5397 52.0664 18.4718 179.5450 *43 V 3.9064 7.8132 122.4177 64.4935 33.5079 177.7167 44 K 3.7141 7.6366 118.6925 59.0294 31.5706 179.2494 45 A 4.1801 8.1266 121.4776 54.9859 18.3130 179.6113 46 K 3.9083 7.9636 117.6656 59.7224 32.3824 178.7444 47 E 3.9773 8.2080 118.6850 59.4456 29.3785 179.2713 48 A 4.1657 8.3846 120.9674 55.1380 18.3375 179.8295 49 I 3.7118 7.8855 118.5637 64.4115 37.2746 178.1063 50 N 4.3394 8.3025 117.4220 56.6617 36.9747 177.1835 51 E 4.1972 8.3145 119.4502 59.4938 29.6272 179.3395 52 A 4.5289 8.1036 120.8116 55.5859 18.3734 179.4296 53 H 4.2657 8.6111 115.1648 59.0807 28.7686 177.3858 54 H 3.9660 8.0036 118.0012 59.2009 28.4725 177.6208 55 F 4.2272 7.5630 118.6796 60.4931 38.7391 177.3594 56 Q 4.0383 8.1477 119.0219 59.7389 28.7758 178.6492 57 T 3.8549 8.6148 116.7999 66.7431 68.4652 176.0648 58 E 3.9085 8.0194 120.6071 59.2566 29.5258 178.6919 59 L 3.9746 8.1965 120.4692 58.2095 42.1933 179.1213 60 I 3.8240 8.1334 120.1304 64.5061 37.0234 178.3006 61 Q 3.9570 8.3602 120.6772 58.9743 28.8750 177.7058 62 S 4.0750 8.3213 114.6445 61.7889 62.1915 176.0858 63 E 4.1093 7.9294 119.9631 59.1144 29.1491 178.5603 64 A 4.0478 7.8097 120.5332 54.6250 18.5538 178.8723 65 R 4.2763 8.0069 112.2320 56.3570 30.0576 177.2152 66 G 3.9887 7.5513 107.7030 45.5781 0.0000 174.3603 67 E 4.2592 7.9731 120.0526 54.2908 28.3326 175.7228 68 K 3.9630 8.4205 124.8416 56.7625 32.8370 176.1266 69 T 4.4937 8.1728 122.4178 61.5159 70.3145 173.9607 70 E 3.9898 8.5998 126.5053 55.8954 29.6230 176.3183 71 I 4.0453 8.3097 128.7156 60.8080 37.5123 176.0678 72 S 4.8314 8.1818 120.1011 55.8617 67.0953 174.9475 73 V 3.5404 8.1576 121.5376 66.1858 31.2289 177.8814 74 L 3.8991 7.7827 119.4985 57.9283 41.8637 178.5681 75 L 3.8518 7.8407 120.2543 58.1099 42.0491 178.9006 76 I 3.6523 7.6795 119.7204 64.7588 37.0346 177.8282 77 H 4.1966 8.6464 119.0932 59.2133 29.6864 177.0448 78 A 3.9389 8.4601 122.8019 55.4068 18.0049 179.6899 79 Q 3.9858 8.2446 115.7347 58.9489 28.7706 178.4493 80 D 4.4721 7.8847 119.3080 57.7452 41.1754 178.1133 81 H 4.3570 8.1675 116.6981 58.7248 28.6241 177.9455 82 L 4.2645 7.5724 119.0756 55.5420 41.6051 177.8168 *84 N 4.5516 8.0783 116.7962 53.2740 40.7611 176.0468 85 A 4.0370 8.4349 120.1654 55.4057 18.3748 179.6798 86 I 3.6759 7.9095 118.1087 64.9012 37.2231 178.9226 87 T 3.9169 7.8454 116.0644 66.5355 68.3506 176.7753 88 V 3.6603 8.3022 120.6304 65.8099 31.5316 177.8952 89 K 3.9349 8.3367 119.4655 59.6872 31.7093 178.2246 90 E 3.9595 8.2478 119.4763 59.3676 29.5257 178.5920 91 L 4.3018 8.2258 118.2221 56.8911 41.8015 178.9798 92 A 4.3747 8.6676 121.4250 55.2195 18.4076 179.4074 93 A 4.0140 8.1571 119.2665 55.3209 18.3611 179.8397 94 E 3.8928 7.6736 117.5339 59.4565 29.5674 179.1891 95 F 4.1782 8.0822 117.8290 60.8060 39.0625 177.7123 96 I 3.9576 8.3537 119.4668 64.7969 36.8956 178.1156 97 D 4.5229 8.1128 119.2746 57.4185 40.5112 179.1060 98 L 3.9393 7.9320 119.4102 58.0097 41.4328 179.0499 99 Y 4.1256 8.1719 115.8641 60.9188 38.2026 178.6733 100 K 4.1690 8.7829 119.6984 59.4510 31.8854 179.0571 101 K 3.8737 8.3643 120.1581 59.8486 31.8210 178.6897 102 L 4.2352 8.0204 118.0204 57.6101 41.5106 179.2194 103 E 4.3497 7.8678 117.4630 58.5251 30.1166 177.8932 104 A 4.1335 7.2949 124.7309 52.3398 17.0841 177.2423 105 K 3.8020 8.2924 125.5103 58.1643 30.0414 175.8467 106 G 3.7470 7.9254 110.4472 45.6950 0.0000 173.2903 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 T 8.03 4.30 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 1.33 0.00 0.00 4 T 8.61 3.64 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 1.25 0.00 0.00 5 A 8.59 4.43 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 6 E 8.29 4.25 0.00 2.16 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 0.00 2.37 2.37 0.00 7 Q 7.95 4.48 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 8 I 7.31 3.50 1.96 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 1.72 1.08 0.97 0.00 0.00 9 P 0.00 4.08 0.00 1.78 1.91 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 10 F 7.86 4.21 0.00 3.20 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 11 Q 8.16 3.80 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.12 0.00 12 L 8.21 3.93 0.00 1.79 1.68 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.82 3.65 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.85 0.00 0.00 14 L 7.78 3.91 0.00 1.88 1.79 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.15 4.42 0.00 2.89 3.13 0.00 0.00 7.15 7.62 0.00 0.00 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 S 8.52 4.25 0.00 3.83 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 17 G 8.30 3.63 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 0.00 0.00 0.00 18 N 8.28 4.10 0.00 2.90 2.73 0.00 0.00 6.93 6.86 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 19 A 8.16 4.21 1.48 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 0.00 0.00 20 R 7.86 3.87 0.00 1.92 2.11 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 21 S 7.78 4.20 0.00 3.77 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 22 F 8.73 4.93 0.00 3.24 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 23 A 8.10 4.21 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 *25 E 8.13 3.98 0.00 2.41 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 0.00 2.19 2.34 0.00 26 A 8.57 4.34 1.57 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 27 L 8.01 3.91 0.00 1.92 1.61 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.90 3.80 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 29 F 7.99 4.41 0.00 3.36 3.13 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 30 A 8.27 4.03 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 31 K 7.66 2.89 0.00 1.56 1.78 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.07 7.81 32 Q 7.39 4.40 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.56 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 33 G 7.94 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 34 K 7.96 4.05 0.00 2.10 1.83 0.00 1.81 0.00 0.00 1.96 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *36 A 8.56 4.24 1.25 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 0.00 0.00 37 E 7.81 3.69 0.00 1.39 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.06 0.00 38 A 7.56 4.17 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.97 4.46 0.00 2.80 2.74 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 40 E 8.12 4.06 0.00 2.07 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 2.23 2.26 0.00 41 A 7.89 4.05 1.63 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 0.00 0.00 *43 V 7.81 3.91 2.18 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 0.94 0.00 0.00 0.92 0.00 0.00 44 K 7.64 3.71 0.00 0.98 0.74 0.00 1.35 0.00 0.00 1.19 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 1.33 7.81 45 A 8.13 4.18 1.52 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 0.00 0.00 46 K 7.96 3.91 0.00 1.84 1.96 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 47 E 8.21 3.98 0.00 2.14 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 2.47 2.43 0.00 48 A 8.38 4.17 1.63 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 0.00 0.00 49 I 7.89 3.71 2.05 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 1.53 0.81 0.89 0.00 0.00 50 N 8.30 4.34 0.00 2.99 2.90 0.00 0.00 7.04 7.16 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 51 E 8.31 4.20 0.00 2.35 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 0.00 2.61 2.57 0.00 52 A 8.10 4.53 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 53 H 8.61 4.27 0.00 3.31 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.00 3.97 0.00 3.00 2.99 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.56 4.23 0.00 3.37 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.15 4.04 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 57 T 8.61 3.85 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 58 E 8.02 3.91 0.00 2.14 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 0.00 2.35 2.42 0.00 59 L 8.20 3.97 0.00 2.05 1.88 0.95 1.37 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 60 I 8.13 3.82 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.67 0.92 0.00 0.00 61 Q 8.36 3.96 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 62 S 8.32 4.08 0.00 4.22 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 63 E 7.93 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 64 A 7.81 4.05 1.36 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 0.00 0.00 65 R 8.01 4.28 0.00 1.97 2.05 0.00 3.04 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 66 G 7.55 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 67 E 7.97 4.26 0.00 2.18 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 2.32 2.24 0.00 68 K 8.42 3.96 0.00 1.72 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 8.17 4.49 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 1.22 0.00 0.00 70 E 8.60 3.99 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 71 I 8.31 4.05 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 1.47 0.93 0.90 0.00 0.00 72 S 8.18 4.83 0.00 3.96 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 73 V 8.16 3.54 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 0.97 0.00 0.00 0.91 0.00 0.00 74 L 7.78 3.90 0.00 1.65 1.47 0.75 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.84 3.85 0.00 1.77 1.79 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.68 3.65 2.01 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 1.40 0.54 0.95 0.00 0.00 77 H 8.65 4.20 0.00 3.22 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.46 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.24 3.99 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 80 D 7.88 4.47 0.00 2.74 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 81 H 8.17 4.36 0.00 3.25 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.57 4.26 0.00 1.79 1.79 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *84 N 8.08 4.55 0.00 2.87 3.09 0.00 0.00 6.97 8.19 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 85 A 8.43 4.04 1.45 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 86 I 7.91 3.68 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.95 0.00 0.00 87 T 7.85 3.92 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 1.24 0.00 0.00 88 V 8.30 3.66 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 1.07 0.00 0.00 1.08 0.00 0.00 89 K 8.34 3.93 0.00 2.01 1.99 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 90 E 8.25 3.96 0.00 2.21 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 2.32 2.38 0.00 91 L 8.23 4.30 0.00 1.93 1.76 0.96 0.53 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 92 A 8.67 4.37 1.52 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 0.00 0.00 93 A 8.16 4.01 1.45 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 94 E 7.67 3.89 0.00 2.11 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 2.46 2.40 0.00 95 F 8.08 4.18 0.00 3.40 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.35 3.96 2.14 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 1.65 0.83 1.01 0.00 0.00 97 D 8.11 4.52 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.93 3.94 0.00 1.79 1.52 0.74 0.80 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 99 Y 8.17 4.13 0.00 3.16 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 0.00 100 K 8.78 4.17 0.00 2.00 1.90 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.69 7.81 101 K 8.36 3.87 0.00 1.80 2.06 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 102 L 8.02 4.24 0.00 1.86 1.76 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.87 4.35 0.00 2.22 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 2.41 2.59 0.00 104 A 7.29 4.13 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 0.00 105 K 8.29 3.80 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.36 7.81 106 G 7.93 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.