NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5145 8.1876 120.8391 58.5417 31.7386 173.8638 11 P 4.4195 0.0000 0.0000 64.0607 32.5116 174.5121 12 L 4.9746 7.4150 121.8351 53.7996 45.4131 176.0549 13 M 4.9178 9.3307 125.9042 53.6608 36.2241 173.8219 14 V 4.8029 8.4136 124.2743 60.8847 34.8140 173.9909 15 K 5.0019 9.2091 128.7225 54.5277 35.3486 174.6473 16 V 4.8570 8.9642 126.8917 61.0526 34.4690 174.1498 17 L 5.1318 9.0270 127.0575 52.9153 45.8269 174.9206 18 D 5.1542 9.0248 121.7800 52.7820 42.4290 176.5227 19 A 4.3349 9.3961 128.6514 53.5971 18.6411 178.5455 20 V 3.9128 8.8922 115.6051 65.2056 31.9390 177.2995 21 R 4.2513 8.5412 115.8068 55.8524 31.0264 175.9414 22 G 3.8396 8.4982 105.6943 45.8150 0.0000 172.5819 23 S 4.8379 7.4301 111.7201 55.6184 67.2919 172.6339 24 P 4.5495 0.0000 0.0000 63.2452 31.5304 176.0638 25 A 4.2569 8.6740 124.6352 51.2120 19.0938 176.4584 26 I 4.2456 8.3435 122.1421 61.5322 38.9903 175.6684 27 N 4.1484 8.3999 120.6552 54.3673 36.6296 174.3616 28 V 4.0700 7.8119 118.8259 61.9830 32.9083 174.8821 29 A 4.8863 8.5677 130.1734 51.9312 20.2616 175.7551 30 M 5.2300 8.9476 117.6764 54.1916 35.3601 173.5493 31 H 5.0750 9.0373 117.0948 53.9887 32.5640 172.9626 32 V 4.8858 8.8487 122.2225 61.2163 34.0020 174.4358 33 F 5.5414 9.6979 125.9433 55.7320 42.9189 173.9288 34 R 4.6628 9.0615 122.3449 54.0430 32.6909 174.8201 35 K 4.0262 8.6530 128.2729 56.1312 32.6250 176.6579 36 A 4.2613 8.7372 130.9459 50.7615 19.8060 177.6612 37 A 3.8987 8.4767 122.6686 55.4235 18.3624 178.5100 38 D 4.5461 7.8628 112.6092 53.6272 39.3203 176.9546 39 D 4.3132 7.9498 117.7541 54.9790 39.3299 174.0446 40 T 4.2467 7.3828 109.7161 60.2677 71.4872 173.7491 41 W 5.1094 8.4444 122.5024 55.3674 30.3043 175.5503 42 E 4.7932 9.0276 124.1815 54.0623 31.1177 174.0243 43 P 4.5218 0.0000 0.0000 63.5539 31.5620 175.3860 44 F 4.8943 8.9156 123.9556 59.6063 41.9360 174.2716 45 A 4.4191 7.5697 117.2879 51.7049 22.4306 174.6553 46 S 4.5468 7.4858 112.8792 57.7623 65.8360 174.1341 47 G 3.9311 7.0834 104.9643 46.5137 0.0000 171.7406 48 K 5.3229 8.3508 118.1227 54.2522 35.6681 176.9424 49 T 4.2517 8.5732 114.2211 61.8874 70.2538 175.1304 50 S 4.7318 8.8093 118.8918 57.5229 64.9733 174.4584 51 E 3.9267 8.6944 118.8368 59.3754 29.1623 178.0182 52 S 4.4079 7.8199 111.6001 57.7723 63.5312 174.7438 53 G 3.8611 8.3914 109.3841 45.5959 0.0000 172.7421 54 E 5.1076 7.8142 118.0847 54.0285 33.2051 174.7764 55 L 4.9021 9.0176 124.7172 53.8636 44.6626 175.1301 56 H 4.8842 8.8909 122.8006 54.4070 31.9386 174.2998 57 G 3.8733 8.7087 105.6547 46.6450 0.0000 175.2817 58 L 3.9658 7.8854 121.7906 57.3694 41.7705 176.6006 59 T 4.4114 7.2652 110.4952 61.3046 70.3983 171.3947 60 T 4.7693 8.0528 112.7855 58.9558 71.6874 174.7494 61 E 4.1374 8.8241 119.5803 59.5591 29.7046 178.3937 62 E 4.1678 8.2276 118.0700 58.9972 29.8279 177.6794 63 E 4.2547 7.8868 117.5388 58.7160 30.1308 177.0572 64 F 4.8840 8.3252 122.2680 57.3002 37.5491 174.7517 65 V 4.1028 7.4726 117.5594 59.3198 33.3202 175.8239 66 E 4.4428 8.0030 120.3491 55.7231 30.0326 177.3327 67 G 3.8706 7.9610 109.2225 46.4157 0.0000 170.4193 68 I 4.8045 7.2063 120.3004 59.9349 39.0603 174.9660 69 Y 5.1070 8.8090 124.3845 55.8701 41.6744 174.4910 70 K 4.8359 9.2653 123.6493 54.5841 35.5054 174.7712 71 V 4.6529 9.2345 128.0057 61.4161 33.5743 174.0170 72 E 4.8852 9.4588 131.0655 54.8934 31.1258 174.4990 73 I 4.4505 8.9852 130.1257 59.8919 39.1477 175.9642 74 D 5.0234 9.0926 129.1962 53.8871 37.9602 176.4199 75 T 3.9602 7.8385 114.9064 63.7714 69.3989 176.7090 76 K 4.1175 8.0727 122.1546 59.7499 32.3852 178.7341 77 S 4.1445 8.5482 115.3719 61.6368 62.7083 176.2012 78 Y 3.9122 7.5909 121.3652 60.6034 38.5964 178.2334 79 W 4.4368 8.2062 119.8242 59.5236 29.1147 178.6385 80 K 3.9860 8.4921 118.5445 59.6184 31.3513 179.1982 81 A 4.0229 7.8182 119.3491 54.5791 18.3142 178.7134 82 L 4.3037 7.2147 113.8554 54.1812 42.1514 177.0193 83 G 3.8954 8.0392 106.9640 46.6158 0.0000 173.4816 84 I 4.5301 7.7553 119.6195 58.7295 39.7946 175.9397 85 S 4.2643 8.8277 121.9525 58.0615 62.9305 172.1637 86 P 4.6887 0.0000 0.0000 61.2853 33.2006 175.5934 87 F 3.8235 8.5017 122.1518 60.7822 39.4964 176.0779 88 H 4.4402 7.8101 115.6859 54.7403 29.6914 175.3910 89 E 4.0289 8.5776 122.6019 59.6973 29.5034 176.1814 90 H 4.8105 7.6137 110.5608 55.8792 31.4868 172.6822 91 A 4.2387 8.5365 120.3006 49.8340 21.0636 175.1627 92 E 4.9362 8.8132 123.2689 54.2521 32.2423 175.0192 93 V 4.4759 9.1577 127.3667 61.2027 33.9810 174.1604 94 V 5.1461 8.5563 128.0224 61.1050 33.8300 174.4311 95 F 5.1291 8.8930 121.4222 56.0331 41.6486 173.2129 96 T 4.7703 8.7154 117.4873 63.0680 69.4993 173.9654 97 A 4.6513 8.9493 129.6024 50.1520 20.1962 178.2606 98 N 5.1284 8.6416 122.6918 51.3614 37.7786 174.0070 *103 R 4.1341 7.6083 115.8167 57.0201 32.3569 176.5657 104 R 4.5308 8.4848 119.8820 55.7615 31.6470 175.2933 105 Y 4.8158 9.1237 122.4119 56.4454 40.7528 174.7712 106 T 4.9404 8.7179 121.3586 61.8754 71.3934 173.2677 107 I 4.7628 8.6804 128.1506 59.7151 39.1615 174.5674 108 A 5.2739 9.0340 129.3883 50.0022 21.8725 174.9520 109 A 5.1259 9.1039 123.4023 49.9664 22.5169 174.5898 110 L 4.9100 9.1936 125.3122 53.3122 44.4138 174.9118 111 L 5.4251 9.0074 126.7192 53.3215 44.2062 175.8774 112 S 5.1741 9.4662 118.9065 56.0307 67.1700 173.5605 113 P 2.9967 0.0000 0.0000 65.1712 31.0920 177.8906 114 Y 4.4810 7.7880 111.8228 57.3461 38.5261 175.0810 115 S 4.7645 7.8085 114.3961 57.2892 65.7491 172.5120 116 Y 5.6259 7.9400 123.4285 55.5059 41.2035 174.1256 117 S 4.8995 9.1589 114.9422 56.9145 66.4886 172.7111 118 T 5.2470 8.5375 115.4226 60.8953 70.3168 172.8192 119 T 4.8866 9.0146 123.3519 61.6634 73.1024 172.4466 120 A 5.0710 8.5703 124.7195 50.1623 21.8446 175.9504 121 V 4.1095 8.9955 123.0232 61.2831 33.4866 174.5619 122 V 4.5132 8.2639 128.7312 61.5502 32.7087 174.7880 123 T 4.6045 8.6681 125.1561 61.6507 71.8748 172.9999 124 N 4.9387 8.5641 124.1042 51.4930 39.8592 173.0563 125 P 4.4238 0.0000 0.0000 63.0396 31.6978 176.0500 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 10 C 8.19 4.51 0.00 2.99 2.94 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 11 P 0.00 4.42 0.00 2.18 2.46 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.18 0.00 12 L 7.41 4.97 0.00 1.01 1.12 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.33 4.92 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.35 0.00 14 V 8.41 4.80 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 0.71 0.00 0.00 0.89 0.00 0.00 15 K 9.21 5.00 0.00 1.73 1.55 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.96 4.86 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 0.68 0.00 0.00 0.81 0.00 0.00 17 L 9.03 5.13 0.00 1.56 1.51 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.02 5.15 0.00 2.65 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 19 A 9.40 4.33 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 20 V 8.89 3.91 2.64 0.00 0.00 0.00 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 0.99 0.00 0.00 21 R 8.54 4.25 0.00 1.94 2.03 0.00 3.42 0.00 0.00 3.58 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 22 G 8.50 3.84 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 0.00 0.00 0.00 23 S 7.43 4.84 0.00 3.88 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 24 P 0.00 4.55 0.00 2.14 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 25 A 8.67 4.26 0.62 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.34 4.25 1.91 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 1.49 0.80 0.94 0.00 0.00 27 N 8.40 4.15 0.00 2.93 2.93 0.00 0.00 6.88 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.81 4.07 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 0.75 0.00 0.00 0.51 0.00 0.00 29 A 8.57 4.89 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 30 M 8.95 5.23 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 31 H 9.04 5.07 0.00 2.92 2.50 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.85 4.89 2.26 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 1.39 0.00 0.00 0.96 0.00 0.00 33 F 9.70 5.54 0.00 2.88 3.17 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 34 R 9.06 4.66 0.00 1.36 1.58 0.00 2.64 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 35 K 8.65 4.03 0.00 1.39 1.32 0.00 1.41 0.00 0.00 1.37 0.00 0.00 2.69 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.81 0.21 7.81 36 A 8.74 4.26 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 37 A 8.48 3.90 1.23 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 0.00 0.00 38 D 7.86 4.55 0.00 2.72 2.71 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 39 D 7.95 4.31 0.00 2.75 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 40 T 7.38 4.25 4.20 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 1.24 0.00 0.00 41 W 8.44 5.11 0.00 2.94 2.97 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 42 E 9.03 4.79 0.00 2.17 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 2.39 2.41 0.00 43 P 0.00 4.52 0.00 2.01 2.02 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 44 F 8.92 4.89 0.00 2.98 3.17 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 45 A 7.57 4.42 1.01 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 46 S 7.49 4.55 0.00 3.60 3.43 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 47 G 7.08 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 48 K 8.35 5.32 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.57 4.25 4.05 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 1.16 0.00 0.00 50 S 8.81 4.73 0.00 3.99 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 51 E 8.69 3.93 0.00 1.97 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 2.31 2.29 0.00 52 S 7.82 4.41 0.00 3.92 3.95 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 53 G 8.39 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 54 E 7.81 5.11 0.00 1.93 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 0.00 2.25 2.38 0.00 55 L 9.02 4.90 0.00 1.60 1.41 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.89 4.88 0.00 3.01 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.71 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 0.00 0.00 0.00 58 L 7.89 3.97 0.00 1.56 1.69 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.27 4.41 4.32 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 0.90 0.00 0.00 60 T 8.05 4.77 4.39 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 1.21 0.00 0.00 61 E 8.82 4.14 0.00 2.19 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 2.33 2.40 0.00 62 E 8.23 4.17 0.00 2.02 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 0.00 2.35 2.40 0.00 63 E 7.89 4.25 0.00 2.09 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 2.69 2.37 0.00 64 F 8.33 4.88 0.00 3.14 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 65 V 7.47 4.10 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 0.87 0.00 0.00 0.96 0.00 0.00 66 E 8.00 4.44 0.00 1.81 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 2.43 2.15 0.00 67 G 7.96 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 0.00 0.00 0.00 68 I 7.21 4.80 1.74 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 1.31 0.56 1.12 0.00 0.00 69 Y 8.81 5.11 0.00 1.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.27 4.84 0.00 0.79 0.92 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.02 7.81 71 V 9.23 4.65 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 0.71 0.00 0.00 1.12 0.00 0.00 72 E 9.46 4.89 0.00 2.18 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 2.06 2.00 0.00 73 I 8.99 4.45 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.79 0.00 0.00 74 D 9.09 5.02 0.00 2.68 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 75 T 7.84 3.96 4.42 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 1.12 0.00 0.00 76 K 8.07 4.12 0.00 2.19 1.90 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.58 7.81 77 S 8.55 4.14 0.00 3.95 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 78 Y 7.59 3.91 0.00 2.98 2.79 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 79 W 8.21 4.44 0.00 3.51 3.39 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 80 K 8.49 3.99 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 81 A 7.82 4.02 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 82 L 7.21 4.30 0.00 1.82 1.75 0.47 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.04 3.90 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 0.00 0.00 0.00 84 I 7.76 4.53 2.11 0.00 0.00 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 1.37 0.97 0.83 0.00 0.00 85 S 8.83 4.26 0.00 3.95 3.95 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 86 P 0.00 4.69 0.00 2.25 2.19 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 87 F 8.50 3.82 0.00 1.51 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 0.00 0.00 0.00 0.00 88 H 7.81 4.44 0.00 3.25 3.42 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.58 4.03 0.00 1.75 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 0.00 2.16 2.14 0.00 90 H 7.61 4.81 0.00 3.23 3.24 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.54 4.24 0.33 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 92 E 8.81 4.94 0.00 2.02 1.86 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 2.03 2.14 0.00 93 V 9.16 4.48 2.20 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 0.98 0.00 0.00 0.98 0.00 0.00 94 V 8.56 5.15 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 1.09 0.00 0.00 0.82 0.00 0.00 95 F 8.89 5.13 0.00 3.15 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 96 T 8.72 4.77 4.34 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 1.29 0.00 0.00 97 A 8.95 4.65 0.75 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 98 N 8.64 5.13 0.00 2.97 2.86 0.00 0.00 7.04 7.81 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 *103 R 7.61 4.13 0.00 1.55 1.38 0.00 3.24 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.73 0.00 104 R 8.48 4.53 0.00 1.79 1.81 0.00 3.05 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 105 Y 9.12 4.82 0.00 2.89 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 0.00 106 T 8.72 4.94 4.21 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 1.17 0.00 0.00 107 I 8.68 4.76 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.88 0.00 0.00 108 A 9.03 5.27 1.20 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 0.00 0.00 109 A 9.10 5.13 1.17 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 0.00 110 L 9.19 4.91 0.00 1.77 1.60 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.01 5.43 0.00 1.85 2.03 0.52 0.97 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 0.00 112 S 9.47 5.17 0.00 3.90 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 0.00 113 P 0.00 3.00 0.00 2.11 1.83 0.00 3.30 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.87 0.00 114 Y 7.79 4.48 0.00 2.79 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 0.00 115 S 7.81 4.76 0.00 3.81 3.70 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 0.00 116 Y 7.94 5.63 0.00 3.08 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 0.00 117 S 9.16 4.90 0.00 3.91 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 0.00 118 T 8.54 5.25 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 1.34 0.00 0.00 119 T 9.01 4.89 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 0.00 120 A 8.57 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 9.00 4.11 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 0.89 0.00 0.00 0.91 0.00 0.00 122 V 8.26 4.51 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 0.46 0.00 0.00 0.88 0.00 0.00 123 T 8.67 4.60 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 1.17 0.00 0.00 124 N 8.56 4.94 0.00 2.69 2.71 0.00 0.00 7.08 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 0.00 125 P 0.00 4.42 0.00 2.22 2.01 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.