NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.4554 8.0327 117.3771 63.5787 71.0411 175.3181 4 T 3.6283 8.0193 115.9399 64.7959 66.9964 173.9278 5 A 4.1377 8.8687 123.6192 54.9439 18.6505 178.0587 6 E 4.2430 8.1523 115.0324 57.7931 29.9226 178.2201 7 Q 4.2704 8.1163 118.4782 56.8227 28.9217 177.7116 8 I 3.6525 7.7626 122.3023 63.9729 37.1558 176.0971 9 P 4.2063 0.0000 0.0000 65.6260 31.1195 178.2005 10 F 4.0059 8.1969 118.6450 61.6586 39.4372 177.1044 11 Q 3.5454 7.9443 117.3727 58.3627 28.2160 178.7913 12 L 3.8893 7.8168 120.4679 57.7334 41.6180 179.5060 13 I 3.4152 7.6064 119.7522 64.0926 37.1364 178.0109 14 L 3.6225 7.4162 121.2150 58.4616 41.7557 178.9548 15 N 4.4120 7.8147 115.7164 56.2058 38.4764 177.8392 16 S 4.2137 8.2174 116.8670 61.5439 62.9133 176.8635 17 G 3.6038 8.2271 108.6811 47.7322 0.0000 175.2647 18 N 4.1521 7.9705 118.6003 56.2801 39.0187 176.9300 19 A 4.1765 8.2068 122.3461 55.2556 18.3380 179.3958 20 R 3.8663 8.2767 116.1722 59.6586 30.1747 178.2469 21 S 4.1571 7.9363 111.5033 61.5068 62.6184 175.6103 22 F 4.8037 8.3845 121.4941 59.9306 38.6252 178.0860 23 A 4.4088 8.0784 116.6180 53.0609 17.6695 178.8725 *25 E 3.9913 8.1715 121.8931 57.7729 31.8831 178.2405 26 A 4.3748 8.4804 120.6674 55.2646 18.4220 179.4361 27 L 4.0298 8.0196 118.8191 58.4633 42.2560 179.2785 28 Q 3.8599 7.8908 117.5301 58.7076 28.6513 178.3492 29 F 4.2962 8.0817 118.6313 60.7172 39.0300 177.5006 30 A 4.0229 8.2166 120.2334 55.1363 17.9245 179.5539 31 K 2.8055 7.4758 117.0625 59.0530 32.2877 178.1839 32 Q 4.2975 7.6195 115.2162 55.5623 28.9329 176.7016 33 G 3.9121 7.6623 108.3240 45.5881 0.0000 173.6847 34 K 4.2440 8.0400 119.1351 55.0419 33.7088 177.4933 *36 A 4.2247 8.4549 124.7073 52.3771 20.5898 179.0138 37 E 3.6361 7.8119 114.5943 59.0043 29.0664 179.3253 38 A 4.1204 7.6592 120.1642 55.4087 18.6171 178.9994 39 D 4.4594 8.0228 115.5351 57.4433 41.1662 178.2389 40 E 4.0592 8.1099 119.4158 59.0866 29.5529 179.8301 41 A 4.2430 7.7446 118.1302 52.5913 18.3645 179.3445 *43 V 3.8956 7.7270 121.3368 64.4570 33.4749 177.9094 44 K 3.6521 7.9003 118.8506 59.0548 31.5026 179.2145 45 A 4.1030 8.1479 121.5512 55.0203 18.3020 179.5481 46 K 3.8662 7.9572 117.5901 59.6202 32.3439 178.4916 47 E 3.9093 8.0618 118.5609 59.5448 29.4508 179.3394 48 A 4.0895 8.0462 120.5117 55.3676 18.4810 179.8061 49 I 3.7822 8.1249 118.3995 64.2955 37.1701 178.4874 50 N 4.3814 8.1647 117.6056 56.3732 37.1269 176.9848 51 E 3.9784 8.2786 119.6673 59.6461 29.7369 179.4457 52 A 4.5124 8.2479 120.5069 55.6367 18.4280 179.4217 53 H 4.1702 8.4897 114.8164 58.9651 28.7134 177.1501 54 H 3.9054 8.1586 120.0879 59.6762 29.5597 177.1917 55 F 4.2727 7.6339 119.2151 60.5007 38.6556 177.5658 56 Q 4.0467 8.1834 118.8486 59.3808 28.8564 178.3856 57 T 3.8414 8.5395 117.0555 66.7310 68.4735 176.1043 58 E 3.9278 8.0354 121.1279 59.1261 29.0291 178.5576 59 L 3.9673 8.0394 120.2027 58.3423 42.2316 179.1262 60 I 3.7438 8.0102 119.8870 64.5055 37.0208 178.3275 61 Q 3.9849 8.5941 120.8212 58.9785 28.8111 178.0063 62 S 4.1621 8.3426 116.7259 61.8687 62.8631 176.4841 63 E 4.0679 7.8749 119.4681 59.5779 29.0898 179.0954 64 A 3.9791 7.7826 119.1413 55.5774 18.4982 179.5423 65 R 4.0027 8.3687 115.7270 57.9185 30.1482 177.4007 66 G 4.0693 8.0631 106.1099 45.1091 0.0000 173.4857 67 E 4.1661 7.8671 119.3051 55.6354 30.1493 176.2011 68 K 4.2903 8.4312 123.7948 55.5181 33.2373 175.6169 69 T 4.4077 8.2394 120.2939 59.9020 69.2009 173.0550 70 E 4.1154 8.7022 129.8218 55.5428 28.7785 175.7186 71 I 3.9246 8.1886 128.0354 61.0465 37.8823 176.5403 72 S 4.8359 8.2941 119.2765 55.5909 67.4071 175.0639 73 V 3.5560 8.2688 121.3316 66.2395 31.1164 177.6451 74 L 3.9844 7.9855 119.3736 58.1820 41.8171 178.6113 75 L 3.9487 7.7581 119.7702 58.2640 42.0954 178.8282 76 I 3.6968 7.7409 119.7766 64.8012 37.0522 177.8580 77 H 4.1755 8.8075 119.0957 59.1607 29.7795 177.1221 78 A 3.9589 8.3675 122.9863 55.4050 18.0271 179.6847 79 Q 4.0137 8.0774 115.3556 59.0978 28.7677 178.5064 80 D 4.4789 7.7971 119.4294 57.4282 41.0351 178.0492 81 H 4.2084 8.0967 116.7679 58.8023 28.6826 177.7605 82 L 4.7960 7.3947 118.5440 56.1880 41.6792 177.9057 *84 N 4.5850 8.1125 116.3284 53.1712 40.7737 176.5507 85 A 4.0180 8.2498 120.1164 55.2682 18.4276 179.6693 86 I 3.6817 8.0068 118.4696 64.8187 37.1787 178.9101 87 T 3.8779 7.8083 115.9848 66.5857 68.3950 176.6650 88 V 3.6167 8.1980 120.5884 66.0745 31.6260 177.9361 89 K 4.0122 8.3739 119.4788 59.5256 31.5906 178.3934 90 E 3.9846 8.3667 119.6694 59.1604 29.5217 178.6022 91 L 3.9536 8.0921 118.5483 56.9648 41.8657 178.9503 92 A 4.2430 8.5959 121.3217 55.3596 18.3372 179.3791 93 A 4.1449 8.0541 118.8888 55.5370 18.3731 179.7178 94 E 3.9543 7.7511 116.7149 59.1763 29.5149 179.4369 95 F 4.0336 8.3299 118.1064 60.5365 39.0491 177.5544 96 I 3.9517 8.4629 119.8502 64.7211 36.9886 177.9386 97 D 4.3787 8.2997 118.6914 57.2585 40.9938 178.0783 98 L 3.9022 7.9724 120.8640 58.3381 42.0958 178.5501 99 Y 4.2609 8.1253 116.7848 60.9700 37.6716 178.6881 100 K 4.0303 8.3385 119.4874 59.3919 31.9685 179.1162 101 K 3.9135 7.8773 118.6440 59.7224 31.9191 178.5032 102 L 4.1986 7.9733 119.0963 57.6374 41.3276 179.2570 103 E 4.0542 8.2687 117.8137 59.1224 29.4217 178.7982 104 A 4.1116 7.7072 120.0489 53.1503 18.7906 177.6135 105 K 4.6157 7.1062 115.5643 54.8055 34.4775 176.6197 106 G 3.7512 8.3989 110.5178 46.1630 0.0000 172.7129 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 4.46 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 4 T 8.02 3.63 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 1.25 0.00 0.00 5 A 8.87 4.14 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 6 E 8.15 4.24 0.00 2.19 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 2.36 2.36 0.00 7 Q 8.12 4.27 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 8 I 7.76 3.65 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.07 0.99 0.00 0.00 9 P 0.00 4.21 0.00 2.19 2.13 0.00 3.68 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 2.14 2.18 0.00 10 F 8.20 4.01 0.00 3.08 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 11 Q 7.94 3.55 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.10 0.00 12 L 7.82 3.89 0.00 1.86 1.65 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.61 3.42 1.71 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 1.16 0.66 0.60 0.00 0.00 14 L 7.42 3.62 0.00 0.97 1.25 0.75 0.93 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 15 N 7.81 4.41 0.00 2.93 3.07 0.00 0.00 7.14 6.85 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 16 S 8.22 4.21 0.00 3.89 4.06 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 0.00 0.00 0.00 17 G 8.23 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.97 4.15 0.00 3.03 3.04 0.00 0.00 7.06 7.27 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 19 A 8.21 4.18 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 20 R 8.28 3.87 0.00 1.90 2.12 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 21 S 7.94 4.16 0.00 3.82 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 22 F 8.38 4.80 0.00 3.33 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 8.08 4.41 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 *25 E 8.17 3.99 0.00 2.36 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 0.00 2.16 2.34 0.00 26 A 8.48 4.37 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.02 4.03 0.00 1.94 1.66 0.67 0.77 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 28 Q 7.89 3.86 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 29 F 8.08 4.30 0.00 3.29 3.20 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 30 A 8.22 4.02 1.49 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 0.00 0.00 31 K 7.48 2.81 0.00 1.52 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.02 7.81 32 Q 7.62 4.30 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.80 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 33 G 7.66 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 0.00 0.00 0.00 34 K 8.04 4.24 0.00 2.07 1.84 0.00 2.09 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *36 A 8.45 4.22 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 37 E 7.81 3.64 0.00 1.36 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 1.86 2.06 0.00 38 A 7.66 4.12 1.50 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 39 D 8.02 4.46 0.00 2.77 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 8.11 4.06 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 2.24 2.27 0.00 41 A 7.74 4.24 1.67 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 0.00 0.00 *43 V 7.73 3.90 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 0.92 0.00 0.00 0.94 0.00 0.00 44 K 7.90 3.65 0.00 1.17 0.74 0.00 1.47 0.00 0.00 1.30 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.17 7.81 45 A 8.15 4.10 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 46 K 7.96 3.87 0.00 1.83 1.98 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 47 E 8.06 3.91 0.00 2.21 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 2.30 2.42 0.00 48 A 8.05 4.09 1.59 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 0.00 0.00 49 I 8.12 3.78 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 1.03 0.00 0.00 50 N 8.16 4.38 0.00 3.04 2.89 0.00 0.00 6.91 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 51 E 8.28 3.98 0.00 2.28 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 0.00 2.38 2.55 0.00 52 A 8.25 4.51 1.40 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 53 H 8.49 4.17 0.00 3.47 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.16 3.91 0.00 3.15 3.26 0.00 5.78 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 7.63 4.27 0.00 3.47 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 56 Q 8.18 4.05 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 57 T 8.54 3.84 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 1.19 0.00 0.00 58 E 8.04 3.93 0.00 1.99 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 0.00 2.33 2.41 0.00 59 L 8.04 3.97 0.00 2.05 1.92 0.96 0.86 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 60 I 8.01 3.74 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 1.76 0.96 0.92 0.00 0.00 61 Q 8.59 3.98 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 62 S 8.34 4.16 0.00 4.17 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 63 E 7.87 4.07 0.00 2.20 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 2.35 0.00 64 A 7.78 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 65 R 8.37 4.00 0.00 2.05 2.14 0.00 3.23 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 66 G 8.06 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 67 E 7.87 4.17 0.00 2.20 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 2.35 2.25 0.00 68 K 8.43 4.29 0.00 1.70 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.48 7.81 69 T 8.24 4.41 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 1.23 0.00 0.00 70 E 8.70 4.12 0.00 1.96 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 2.30 2.40 0.00 71 I 8.19 3.92 1.88 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 1.60 0.93 0.92 0.00 0.00 72 S 8.29 4.84 0.00 4.00 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 73 V 8.27 3.56 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 0.97 0.00 0.00 0.93 0.00 0.00 74 L 7.99 3.98 0.00 1.82 1.69 0.98 0.56 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 75 L 7.76 3.95 0.00 1.78 1.84 0.95 1.54 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 76 I 7.74 3.70 2.04 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 1.42 0.63 0.93 0.00 0.00 77 H 8.81 4.18 0.00 3.27 3.57 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 8.37 3.96 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 79 Q 8.08 4.01 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 80 D 7.80 4.48 0.00 2.82 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 81 H 8.10 4.21 0.00 3.32 3.28 0.00 5.63 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 82 L 7.39 4.80 0.00 1.77 1.62 0.85 0.26 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 *84 N 8.11 4.59 0.00 2.91 2.88 0.00 0.00 6.93 7.69 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 85 A 8.25 4.02 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 86 I 8.01 3.68 1.90 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 1.59 0.96 0.95 0.00 0.00 87 T 7.81 3.88 4.41 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 1.24 0.00 0.00 88 V 8.20 3.62 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 1.09 0.00 0.00 0.99 0.00 0.00 89 K 8.37 4.01 0.00 1.98 1.99 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 90 E 8.37 3.98 0.00 2.21 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 0.00 2.31 2.36 0.00 91 L 8.09 3.95 0.00 1.88 1.78 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.60 4.24 1.49 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 0.00 0.00 93 A 8.05 4.14 1.46 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 0.00 0.00 94 E 7.75 3.95 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 2.50 2.41 0.00 95 F 8.33 4.03 0.00 3.32 3.18 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 96 I 8.46 3.95 2.13 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 1.56 1.26 1.01 0.00 0.00 97 D 8.30 4.38 0.00 3.02 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 98 L 7.97 3.90 0.00 1.81 1.57 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.13 4.26 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 0.00 100 K 8.34 4.03 0.00 2.05 1.90 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.68 7.81 101 K 7.88 3.91 0.00 1.76 2.05 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 102 L 7.97 4.20 0.00 2.00 1.77 0.90 1.00 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 8.27 4.05 0.00 2.15 2.05 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 2.39 2.40 0.00 104 A 7.71 4.11 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 0.00 105 K 7.11 4.62 0.00 1.76 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.35 7.81 106 G 8.40 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.