NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 Q 4.4098 8.1985 121.9706 56.0983 30.7864 173.5515 18 A 4.9585 8.4173 125.0683 50.1474 22.6221 173.8987 19 T 4.8291 8.6116 116.2465 61.8767 73.2714 171.7682 20 S 5.1895 8.5152 118.0211 57.1549 66.6725 172.8039 21 Q 4.7370 8.9048 121.3020 53.7672 32.6557 172.3189 22 P 4.9408 0.0000 0.0000 63.1758 32.6928 175.3809 23 I 4.7228 8.7063 121.0770 59.5867 41.3958 174.3520 24 N 5.2741 9.0960 126.6791 53.7391 39.9893 173.6958 25 F 5.4201 8.1697 114.6060 56.5031 41.1477 172.9992 26 Q 4.6729 9.1402 120.2184 54.5365 32.5889 173.7401 27 V 4.3033 9.4711 127.4870 62.9282 32.7268 174.8474 28 Q 5.2026 9.0350 126.2375 53.6129 32.9051 175.1887 29 K 4.3185 8.9439 120.9068 56.0068 33.5151 176.5486 30 D 4.4914 8.7016 123.0501 56.0642 41.4588 176.7479 31 G 3.9415 10.5096 114.1777 45.4957 0.0000 172.1646 32 S 4.5382 7.6883 112.5132 57.7371 65.8666 174.1999 33 S 5.0023 8.3679 112.2703 57.3947 63.3562 173.8173 34 E 4.2506 8.0791 124.1675 55.8925 30.4787 176.1943 35 K 4.3933 8.7230 125.6088 57.6748 33.0963 175.9352 36 S 4.6678 8.6648 118.1346 56.2235 63.9975 174.4931 37 H 4.5100 8.3395 125.6000 56.2908 27.2464 175.6269 *39 D 4.7497 7.8029 120.8730 54.5527 43.2693 176.6025 40 D 4.5171 7.9493 117.7118 56.7849 41.2229 175.7920 41 Y 4.4444 7.5216 118.5366 58.2485 38.0986 175.1274 *43 Q 4.4680 7.7859 116.8280 56.2658 30.2657 174.8260 44 H 4.9829 8.3491 115.8305 53.2614 32.5409 171.7140 45 P 4.6402 0.0000 0.0000 62.7719 32.7853 175.8635 46 G 4.2783 9.2086 107.0881 45.6226 0.0000 172.2885 47 K 5.1298 8.2974 119.8769 54.8128 36.3225 176.4085 48 V 4.8237 9.0627 126.8642 61.6382 33.5401 174.5310 49 I 5.0827 8.9647 128.1111 59.3235 41.1175 174.1101 50 K 4.5663 9.0744 127.9761 54.5597 34.2244 174.5846 51 Q 4.8163 9.0598 128.2556 54.7783 32.9582 174.5474 52 N 3.9504 8.6854 118.0853 54.3324 36.6665 173.7442 53 N 4.1517 8.0229 111.2977 54.9496 38.2191 172.9766 54 K 4.6495 8.0110 114.9489 54.1745 35.5837 174.5005 55 Y 4.9243 7.9379 118.2266 56.5145 40.9990 174.3570 56 Y 5.2285 9.0209 119.6215 56.2947 43.0951 174.0733 57 F 5.1949 9.4019 125.4586 57.0169 41.2014 174.0461 58 Q 4.7431 8.8209 128.6328 54.6637 30.8583 174.1823 59 T 4.5535 8.3159 119.7502 60.3379 71.5673 172.1727 60 V 4.5266 8.1206 125.9575 61.0133 33.7897 174.6735 61 L 4.3673 8.7574 128.9420 53.9427 42.5632 176.3068 62 N 4.6832 9.2811 122.4386 53.0330 39.7912 174.7540 63 N 4.0989 8.8213 115.6279 52.8544 36.4144 175.9912 64 A 4.1859 8.2797 122.9396 55.2664 19.0472 180.6261 65 S 4.3806 8.7722 110.1293 61.1671 63.1312 175.6364 66 F 4.9575 8.8740 119.3921 58.4210 39.0309 175.1965 67 W 4.7954 8.4184 120.8512 55.4326 27.5888 175.7038 68 K 4.3098 8.9435 125.8070 59.1079 32.3811 176.4537 69 E 4.9329 8.1872 118.7789 55.1091 33.2388 173.4284 70 Y 5.5265 7.8448 122.0555 55.6756 41.3670 174.2662 71 K 4.7171 9.2678 120.8800 54.7891 36.8338 175.1989 72 F 5.3215 8.6622 121.7272 55.9953 42.6171 173.8343 73 Y 5.4228 9.1811 119.0808 56.1979 42.7599 175.2637 74 N 4.8916 9.0114 119.6118 51.8485 38.6802 175.8263 75 A 3.9272 8.0204 120.0814 54.7480 18.4082 177.9281 76 N 4.6208 8.1461 111.6052 52.9444 38.6710 175.1113 77 N 4.3506 8.4006 114.4128 54.0020 36.8636 174.4419 78 Q 4.3558 8.2738 118.0562 55.3806 29.4832 175.6595 79 E 4.3506 8.8321 121.4478 56.4654 30.1853 176.1380 80 L 4.9198 8.2028 123.0624 52.5019 43.9907 176.4363 81 A 4.3217 8.8009 125.8446 52.4245 19.4536 176.1906 82 T 5.3571 8.6446 112.0309 60.1128 71.8255 173.5683 83 T 4.7329 8.6083 112.6068 59.9692 72.6318 172.8277 84 V 4.1268 8.3957 124.1871 62.7926 31.6895 175.5605 85 V 3.9311 8.8081 128.9377 65.1083 32.5372 175.7446 86 N 4.9200 7.7241 116.7753 52.3758 42.4903 172.7630 87 D 5.0868 8.6958 124.8828 52.6368 43.7091 175.2214 88 N 4.7021 8.9482 123.7957 51.6906 39.3877 175.1813 89 K 4.0476 8.5281 126.5322 58.9204 32.8299 179.8096 90 K 3.8531 8.2605 118.8305 59.2333 32.1292 177.2878 91 A 4.1731 8.2556 118.6974 51.8083 19.4771 176.0742 92 D 4.3459 7.6156 115.6598 55.7542 40.1859 172.1909 93 T 4.8920 7.8645 107.7591 59.9257 73.1863 173.8988 94 R 4.8422 8.3528 121.4989 55.0215 33.9825 173.6104 95 T 4.8955 9.0138 123.3894 61.9143 70.5495 173.7757 96 I 4.9128 8.4158 119.4415 59.0822 41.5747 173.8429 97 N 5.1785 8.8054 120.8961 51.6017 41.1682 173.9470 98 V 4.8887 8.6475 123.2255 60.6280 34.0965 174.6383 99 A 4.5104 9.0428 130.9891 52.5376 18.8601 176.7409 100 V 4.4038 8.2638 114.4361 59.8459 36.5772 174.4261 101 E 4.2174 6.0902 118.8174 53.3243 32.8642 174.0310 102 P 4.1486 0.0000 0.0000 64.4023 31.7353 176.5703 103 G 4.0551 8.8912 110.8757 45.3822 0.0000 173.7568 104 Y 4.4187 7.9002 118.0582 58.8825 38.4038 177.3424 105 K 4.9160 9.0624 121.8887 56.9629 34.9171 175.6945 106 S 4.7730 7.9067 112.3185 56.9301 66.5897 173.2464 107 L 4.9912 8.4957 119.6794 53.1812 45.0822 176.4484 108 T 4.8060 8.9713 120.8243 63.5589 70.0265 173.9017 109 T 5.0901 9.2459 115.4795 59.8133 72.6942 173.0110 110 K 4.9389 9.1086 122.3669 54.8486 35.7839 175.4516 111 V 4.8589 8.9788 125.0142 61.3052 35.4022 173.4800 112 H 5.3068 9.4556 128.1123 54.7764 31.7805 172.6963 113 I 4.9417 8.6307 127.9449 59.8514 38.7543 175.2779 114 V 4.7853 8.9892 126.4339 61.3729 35.2208 174.3015 115 V 4.2090 8.8704 127.4032 60.0037 32.0150 173.8134 116 P 4.3145 0.0000 0.0000 65.0955 31.7107 179.0086 117 Q 4.0549 8.1656 116.3204 58.0231 28.7060 177.0609 118 I 4.3659 7.5905 108.3867 59.6656 37.9595 174.7505 119 N 4.1383 7.8620 116.3143 54.7690 36.6598 173.2817 120 Y 4.4141 7.7545 118.6840 56.5240 40.6823 174.0876 121 N 4.9122 7.5215 125.4165 53.0090 41.2294 172.6593 122 H 4.5641 9.2944 126.7729 54.1998 33.6787 171.9612 123 R 4.8366 8.0329 123.7083 54.7222 31.9307 174.8535 124 Y 4.6603 9.0951 122.4797 56.8423 40.2675 175.0851 125 T 5.0684 8.6893 119.9289 62.1716 71.2233 172.8611 126 T 5.0238 8.7913 116.4087 60.2179 73.6033 172.1787 127 H 5.3043 8.9147 116.3388 53.6803 31.4450 172.3990 128 L 4.5954 9.2649 126.5139 54.1931 43.2481 175.0023 129 E 4.7650 8.8956 127.4186 54.6015 31.1183 175.9067 130 F 4.9091 8.3119 124.4215 57.3537 39.2239 175.7573 131 E 4.2491 9.4637 124.2203 58.6875 29.9701 177.0826 132 K 4.7278 7.9730 115.6989 53.7509 36.2203 175.5170 133 A 4.4241 8.5284 122.2673 52.2380 19.3579 177.5814 134 I 3.5309 8.6215 121.6932 61.4123 37.9695 174.3646 135 P 4.7253 0.0000 0.0000 62.4251 32.6291 176.1172 136 T 4.1436 8.2997 117.7872 63.2879 69.1917 174.3460 137 L 4.8220 8.8661 125.4610 52.7416 44.6886 176.5760 138 A 4.2106 8.4825 122.8303 52.5722 18.5662 177.5608 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 17 Q 8.20 4.41 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 18 A 8.42 4.96 1.16 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 0.00 0.00 19 T 8.61 4.83 4.18 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 1.20 0.00 0.00 20 S 8.52 5.19 0.00 3.86 3.74 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 21 Q 8.90 4.74 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 22 P 0.00 4.94 0.00 2.17 2.08 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 2.02 1.99 0.00 23 I 8.71 4.72 1.93 0.00 0.00 0.58 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 1.48 1.15 0.00 0.00 24 N 9.10 5.27 0.00 2.96 2.78 0.00 0.00 6.67 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 25 F 8.17 5.42 0.00 3.13 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 26 Q 9.14 4.67 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 V 9.47 4.30 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 0.95 0.00 0.00 1.20 0.00 0.00 28 Q 9.04 5.20 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 29 K 8.94 4.32 0.00 1.73 1.78 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.73 7.81 30 D 8.70 4.49 0.00 2.96 2.62 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 31 G 10.51 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 32 S 7.69 4.54 0.00 3.98 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 33 S 8.37 5.00 0.00 4.02 4.03 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 34 E 8.08 4.25 0.00 2.12 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 2.33 2.28 0.00 35 K 8.72 4.39 0.00 1.80 1.81 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.48 7.81 36 S 8.66 4.67 0.00 3.80 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 37 H 8.34 4.51 0.00 3.36 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 D 7.80 4.75 0.00 3.07 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 40 D 7.95 4.52 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.44 0.00 3.25 3.38 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 0.00 *43 Q 7.79 4.47 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 44 H 8.35 4.98 0.00 2.96 3.03 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.64 0.00 2.30 2.17 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 46 G 9.21 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 0.00 0.00 0.00 0.00 47 K 8.30 5.13 0.00 1.77 1.49 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.36 7.81 48 V 9.06 4.82 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 0.99 0.00 0.00 0.90 0.00 0.00 49 I 8.96 5.08 1.95 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 1.08 0.63 0.89 0.00 0.00 50 K 9.07 4.57 0.00 0.98 1.33 0.00 1.27 0.00 0.00 1.37 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.94 0.22 7.81 51 Q 9.06 4.82 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 52 N 8.69 3.95 0.00 2.95 3.02 0.00 0.00 6.87 7.92 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 53 N 8.02 4.15 0.00 2.84 2.89 0.00 0.00 7.06 6.68 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 54 K 8.01 4.65 0.00 1.86 1.28 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.50 7.81 55 Y 7.94 4.92 0.00 2.78 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 56 Y 9.02 5.23 0.00 2.80 2.77 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 57 F 9.40 5.19 0.00 2.98 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 58 Q 8.82 4.74 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 59 T 8.32 4.55 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 60 V 8.12 4.53 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 0.79 0.00 0.00 0.83 0.00 0.00 61 L 8.76 4.37 0.00 0.97 0.27 -0.61 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 N 9.28 4.68 0.00 2.82 2.74 0.00 0.00 7.21 7.63 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 63 N 8.82 4.10 0.00 2.70 1.42 0.00 0.00 7.49 7.52 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 64 A 8.28 4.19 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 65 S 8.77 4.38 0.00 4.16 4.22 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 66 F 8.87 4.96 0.00 3.39 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 67 W 8.42 4.80 0.00 3.55 3.52 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 68 K 8.94 4.31 0.00 1.77 1.89 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.42 7.81 69 E 8.19 4.93 0.00 2.10 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 2.26 2.27 0.00 70 Y 7.84 5.53 0.00 3.09 3.36 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 71 K 9.27 4.72 0.00 1.70 1.37 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.61 7.81 72 F 8.66 5.32 0.00 2.96 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 73 Y 9.18 5.42 0.00 2.84 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 74 N 9.01 4.89 0.00 2.27 2.83 0.00 0.00 7.07 7.37 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 75 A 8.02 3.93 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 76 N 8.15 4.62 0.00 2.83 2.84 0.00 0.00 6.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.40 4.35 0.00 2.82 2.80 0.00 0.00 6.93 7.60 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 78 Q 8.27 4.36 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 79 E 8.83 4.35 0.00 2.02 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 2.54 2.51 0.00 80 L 8.20 4.92 0.00 1.63 1.80 1.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.80 4.32 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 82 T 8.64 5.36 4.43 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 1.47 0.00 0.00 83 T 8.61 4.73 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 1.21 0.00 0.00 84 V 8.40 4.13 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 0.76 0.00 0.00 0.99 0.00 0.00 85 V 8.81 3.93 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 0.66 0.00 0.00 0.82 0.00 0.00 86 N 7.72 4.92 0.00 2.78 2.50 0.00 0.00 6.98 8.49 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 87 D 8.70 5.09 0.00 2.54 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 88 N 8.95 4.70 0.00 2.70 2.65 0.00 0.00 6.78 6.95 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 89 K 8.53 4.05 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.43 7.81 90 K 8.26 3.85 0.00 1.71 1.98 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 91 A 8.26 4.17 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 92 D 7.62 4.35 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.89 4.22 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 1.17 0.00 0.00 94 R 8.35 4.84 0.00 1.92 1.50 0.00 3.02 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.65 0.00 95 T 9.01 4.90 4.13 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 1.06 0.00 0.00 96 I 8.42 4.91 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.72 0.00 0.00 97 N 8.81 5.18 0.00 2.46 2.65 0.00 0.00 6.67 8.53 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 98 V 8.65 4.89 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 0.89 0.00 0.00 0.28 0.00 0.00 99 A 9.04 4.51 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 0.00 100 V 8.26 4.40 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 0.93 0.00 0.00 0.84 0.00 0.00 101 E 6.09 4.22 0.00 1.16 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 1.80 2.08 0.00 102 P 0.00 4.15 0.00 1.71 1.63 0.00 3.14 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 103 G 8.89 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 0.00 0.00 0.00 104 Y 7.90 4.42 0.00 2.99 3.08 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 0.00 0.00 0.00 105 K 9.06 4.92 0.00 1.74 1.90 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.63 7.81 106 S 7.91 4.77 0.00 3.80 3.97 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 0.00 107 L 8.50 4.99 0.00 1.64 1.80 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.97 4.81 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 1.23 0.00 0.00 109 T 9.25 5.09 3.76 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 0.00 0.00 0.00 1.36 0.00 0.00 110 K 9.11 4.94 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 111 V 8.98 4.86 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 0.31 0.00 0.00 0.98 0.00 0.00 112 H 9.46 5.31 0.00 3.20 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.63 4.94 1.97 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.30 1.13 0.00 0.00 114 V 8.99 4.79 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 0.91 0.00 0.00 0.69 0.00 0.00 115 V 8.87 4.21 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 0.58 0.00 0.00 -0.07 0.00 0.00 116 P 0.00 4.31 0.00 2.22 2.09 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 117 Q 8.17 4.05 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.17 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 118 I 7.59 4.37 1.89 0.00 0.00 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 1.36 0.76 0.90 0.00 0.00 119 N 7.86 4.14 0.00 2.89 2.92 0.00 0.00 6.77 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 0.00 120 Y 7.75 4.41 0.00 3.10 2.76 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 0.00 0.00 0.00 0.00 121 N 7.52 4.91 0.00 2.61 2.49 0.00 0.00 6.84 7.89 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 0.00 122 H 9.29 4.56 0.00 2.51 2.82 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.03 4.84 0.00 1.50 1.69 0.00 3.08 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 124 Y 9.10 4.66 0.00 2.92 2.76 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 0.00 0.00 0.00 0.00 125 T 8.69 5.07 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 1.20 0.00 0.00 126 T 8.79 5.02 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 1.26 0.00 0.00 127 H 8.91 5.30 0.00 3.15 3.38 0.00 5.25 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.26 4.60 0.00 1.74 1.56 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.90 4.77 0.00 2.03 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 2.22 2.64 0.00 130 F 8.31 4.91 0.00 3.02 3.03 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 0.00 131 E 9.46 4.25 0.00 2.12 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 2.38 2.35 0.00 132 K 7.97 4.73 0.00 1.76 1.67 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.45 7.81 133 A 8.53 4.42 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 0.00 134 I 8.62 3.53 1.80 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.65 0.00 0.00 135 P 0.00 4.73 0.00 2.09 2.03 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 136 T 8.30 4.14 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 1.26 0.00 0.00 137 L 8.87 4.82 0.00 1.61 1.55 0.96 1.12 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 0.00 138 A 8.48 4.21 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 * Residues marked with a * may have inaccurate shift predictions.