NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8702 8.2076 120.4823 54.5927 43.3761 173.3231 2 S 4.6475 8.6452 112.5776 56.3138 66.5761 168.0274 3 V 4.8263 9.1962 122.1021 61.5138 34.9460 175.6690 4 T 4.6326 9.3212 124.1088 61.9887 71.5780 173.1339 5 Q 5.1799 8.6068 125.0252 52.9242 29.7211 175.9069 6 T 3.7933 8.8857 119.1901 63.7503 67.6609 173.7989 7 G 4.1313 7.7599 110.4301 43.8766 0.0000 173.3046 8 G 3.9991 8.7809 113.0762 48.0875 0.0000 173.2848 9 Q 5.2425 7.9113 116.0263 54.2251 32.3130 175.3439 10 V 4.3948 8.9536 120.5856 61.6364 34.9163 173.2838 11 A 5.3070 8.6910 129.9545 50.4621 20.6691 175.6098 12 L 4.8674 8.8252 121.4107 53.3621 47.0790 175.2702 13 S 5.2707 8.6872 114.9512 56.3100 66.1613 173.3400 14 E 4.0880 8.4132 119.8173 58.3361 29.5615 178.4645 15 E 4.3846 9.4797 121.5024 57.0112 28.2721 174.3937 16 D 4.6671 7.8746 119.4526 54.0377 42.4660 175.0393 17 F 5.1104 8.6211 122.9005 57.0514 40.2935 174.2818 18 L 4.5308 7.9716 128.7541 53.8153 44.2507 175.4979 19 T 4.7933 8.0389 121.6442 62.6020 72.6300 172.9566 20 I 4.3856 8.3999 128.1755 59.4411 39.8974 175.2008 21 H 4.8596 8.7339 124.6151 56.2007 30.3644 175.4565 22 C 5.1114 9.3318 121.2554 55.7508 43.1699 172.2417 23 N 5.8176 9.3868 123.8620 51.9069 42.1327 173.0849 24 Y 5.2449 8.2836 118.5790 56.1164 42.7620 173.4690 25 S 4.6743 9.2572 113.2458 56.8030 65.5069 172.5162 26 A 5.6177 9.1302 127.5688 48.4719 22.6695 175.4453 27 S 4.6326 8.8227 110.7778 56.7404 62.6222 172.0679 28 G 4.1288 8.2326 105.1414 43.5934 0.0000 171.6905 29 Y 4.0058 8.5851 117.4715 58.4691 37.5221 174.5839 30 P 5.1988 0.0000 0.0000 60.7569 34.9184 174.1445 31 A 4.9258 8.6533 122.3150 50.5747 21.0628 176.3290 32 L 4.4382 8.1678 123.0518 53.9711 43.4718 176.0730 33 F 5.3799 9.5604 121.1934 55.8530 44.3292 173.8189 34 W 5.5947 8.6196 118.9521 55.8489 33.2803 174.1410 35 Y 5.1222 10.0132 122.5437 56.1412 41.2248 174.7796 36 V 4.3843 8.7997 121.9083 60.9586 34.8747 174.1452 37 Q 4.5678 8.6986 128.2726 54.5593 31.7695 173.9964 38 Y 4.7772 8.2150 124.1426 55.9385 40.3546 173.4185 39 P 4.2504 0.0000 0.0000 64.8021 31.5680 177.0793 40 G 3.9583 9.2194 111.4067 45.2331 0.0000 171.6693 41 E 4.7228 7.8201 116.2585 53.9769 32.5747 175.3151 42 G 3.9293 8.2775 107.9991 43.8368 0.0000 171.5209 43 P 4.7680 0.0000 0.0000 62.4194 31.9940 176.3268 44 Q 4.9181 9.2541 121.3716 53.8830 32.1334 174.4406 45 F 3.7342 9.2308 123.6863 59.4498 39.3855 173.2885 46 L 4.3320 7.2905 127.6530 54.7562 42.8929 175.9187 47 F 4.0572 5.9927 110.9315 56.1983 40.6193 171.5033 48 R 5.0008 8.8725 115.1024 55.0393 33.2477 174.1200 49 A 4.7772 8.3427 119.3835 52.0614 22.2287 177.4329 50 S 4.2932 9.3460 119.2704 60.4055 64.0734 174.9224 51 R 4.1324 7.9997 118.8832 53.7287 31.6412 175.6027 52 D 3.9639 8.6469 121.1764 55.6521 41.5755 177.4440 53 K 4.1839 9.4656 123.0766 56.6713 31.5619 176.3694 54 E 4.3378 7.9778 120.6322 55.7351 31.0259 175.0465 55 K 4.8282 8.7161 126.2008 54.6981 34.6020 175.3401 56 G 4.2693 8.7989 114.7287 45.1215 0.0000 172.4189 57 S 4.1840 6.8858 113.9608 56.9923 65.7604 173.9535 58 S 4.6621 9.1756 114.5553 59.5553 66.0063 177.0265 59 R 3.7746 8.2884 123.1127 57.4300 27.8241 177.8443 *61 G 4.1746 7.8519 105.0179 46.1105 0.0000 173.9527 62 F 5.3099 8.6260 119.4966 56.7360 40.7535 174.4708 63 E 4.6400 8.3444 115.0138 55.9722 32.1523 174.3505 64 A 5.0224 7.9906 121.4811 50.4917 23.3088 175.0777 65 T 5.2045 8.2170 115.3046 61.5738 71.7174 173.2236 66 Y 4.2494 9.9314 128.4819 58.5277 40.1005 174.0353 67 N 5.3963 9.0658 127.0640 51.1839 38.5157 174.5586 68 K 4.3574 9.7827 125.2889 58.2837 33.0988 179.1620 69 E 3.8780 8.4294 117.4096 59.3207 29.4212 177.4827 70 A 4.2925 8.6649 118.7959 51.4359 19.5911 177.2306 71 T 2.9926 7.2059 107.0830 62.6918 68.1884 170.9351 72 S 5.3010 7.9014 115.2015 57.1588 67.6157 175.5682 73 F 5.7010 8.5798 120.4515 57.2882 38.7110 174.5026 74 H 4.7296 8.1705 117.7552 56.3706 30.1951 176.2664 75 L 4.1249 8.7741 126.1657 54.8270 43.1618 175.5912 76 Q 4.7208 8.8140 123.7052 54.3141 33.8647 174.3341 77 K 4.1434 8.1951 123.7983 55.2474 34.8515 176.1112 78 A 4.0034 8.7717 131.8687 55.1651 18.5731 176.0265 79 S 4.7696 7.4118 110.2680 56.5550 64.9680 173.3683 80 V 4.0044 8.5031 121.6335 61.6222 32.3415 176.3049 81 Q 4.4364 9.5063 127.2919 55.6174 30.8382 175.2502 82 E 4.1400 8.9371 118.5830 60.4388 29.8830 178.6487 83 S 4.4917 7.9464 109.2660 59.4954 63.1866 174.5601 84 D 4.7748 8.0514 121.1548 57.0189 40.9820 175.9273 85 S 4.8895 7.8851 112.4327 59.3204 62.6206 172.8125 86 A 4.4345 7.9472 128.4306 51.6375 23.1447 173.7953 87 V 4.6243 7.8344 114.2479 61.5754 34.2792 175.7084 88 Y 5.1197 8.8242 125.0571 56.3895 41.0273 174.1229 89 Y 5.2786 9.5671 121.6196 56.4151 41.4340 173.7621 90 C 3.9027 9.2050 124.1610 54.9622 43.6337 172.2029 91 A 4.9526 8.3601 126.7635 49.8127 23.0384 174.5674 92 L 4.8918 8.2358 120.2476 53.9028 43.1108 175.4019 93 S 4.3653 9.1293 120.0856 56.2573 64.1241 174.1691 *98 E 4.5712 8.2906 127.6512 55.5281 30.4476 176.5943 99 N 4.4866 7.6642 117.5706 56.0084 37.5949 175.5183 100 Y 4.7274 8.0925 117.2124 58.0351 41.0409 174.9860 101 G 3.9596 7.8420 103.8901 46.1073 0.0000 174.0287 101A N 4.2392 9.3888 124.4643 54.5970 38.9892 175.9772 102 E 4.0471 8.5190 115.2275 56.7732 27.4401 173.7410 103 K 4.5379 7.2850 117.8740 55.0270 33.9116 176.1688 104 I 4.3659 8.1949 124.5852 59.9681 38.9918 175.0706 105 T 4.4711 8.1864 124.4088 62.5277 69.8821 174.4173 106 F 5.0456 8.8850 124.2630 55.7084 41.9388 175.6710 107 G 4.1401 8.7748 108.4954 45.2696 0.0000 174.2274 108 A 4.0737 8.7499 121.3202 52.8496 18.6681 178.9203 109 G 3.6452 8.7725 100.1548 45.5805 0.0000 173.3604 110 T 4.7509 8.0355 114.8989 61.9214 72.9698 173.1880 111 K 4.6230 8.9707 128.9969 55.4584 33.9881 174.9133 112 L 5.1601 9.3885 130.5185 53.6491 44.3568 174.9462 113 T 4.7247 8.7598 117.7923 60.2257 70.7222 173.3047 114 I 5.5890 8.8842 128.8505 58.9504 38.4980 175.7420 115 K 4.5154 8.4840 126.6402 54.5337 35.1074 175.2235 116 P 5.4694 0.0000 0.0000 62.7716 31.2424 176.3340 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 D 8.21 4.87 0.00 2.61 2.90 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 2 S 8.65 4.65 0.00 3.86 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 3 V 9.20 4.83 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 0.85 0.00 0.00 0.86 0.00 0.00 4 T 9.32 4.63 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 Q 8.61 5.18 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.72 2.22 0.00 6 T 8.89 3.79 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 1.30 0.00 0.00 7 G 7.76 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 0.00 0.00 0.00 0.00 8 G 8.78 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 9 Q 7.91 5.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 10 V 8.95 4.39 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 0.90 0.00 0.00 0.93 0.00 0.00 11 A 8.69 5.31 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 12 L 8.83 4.87 0.00 1.57 1.50 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.69 5.27 0.00 3.92 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 14 E 8.41 4.09 0.00 2.07 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 2.35 2.51 0.00 15 E 9.48 4.38 0.00 2.10 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 0.00 2.20 2.21 0.00 16 D 7.87 4.67 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 5.11 0.00 3.03 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 18 L 7.97 4.53 0.00 1.56 1.31 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.04 4.79 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 1.08 0.00 0.00 20 I 8.40 4.39 1.49 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 1.06 0.00 0.00 21 H 8.73 4.86 0.00 3.22 3.28 0.00 5.79 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 22 C 9.33 5.11 0.00 3.23 3.25 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 23 N 9.39 5.82 0.00 2.77 2.64 0.00 0.00 6.08 7.02 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 24 Y 8.28 5.24 0.00 3.07 2.99 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 25 S 9.26 4.67 0.00 3.88 3.73 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 26 A 9.13 5.62 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.63 0.00 3.97 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 28 G 8.23 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 0.00 0.00 0.00 0.00 29 Y 8.59 4.01 0.00 3.05 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 30 P 0.00 5.20 0.00 1.77 2.11 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.18 0.00 31 A 8.65 4.93 1.38 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 0.00 0.00 32 L 8.17 4.44 0.00 0.27 0.19 -0.46 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.56 5.38 0.00 3.00 3.04 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 0.00 0.00 0.00 34 W 8.62 5.59 0.00 2.34 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 35 Y 10.01 5.12 0.00 3.17 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 36 V 8.80 4.38 1.75 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 -0.16 0.00 0.00 0.79 0.00 0.00 37 Q 8.70 4.57 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 38 Y 8.21 4.78 0.00 3.20 2.82 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 0.00 0.00 0.00 0.00 39 P 0.00 4.25 0.00 2.08 2.08 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 40 G 9.22 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 41 E 7.82 4.72 0.00 2.13 1.98 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 2.47 2.27 0.00 42 G 8.28 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 43 P 0.00 4.77 0.00 1.79 1.90 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 44 Q 9.25 4.92 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 45 F 9.23 3.73 0.00 2.95 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 46 L 7.29 4.33 0.00 1.41 1.25 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 F 5.99 4.06 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 48 R 8.87 5.00 0.00 0.85 0.76 0.00 2.82 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 49 A 8.34 4.78 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 50 S 9.35 4.29 0.00 3.82 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 51 R 8.00 4.13 0.00 1.80 1.60 0.00 2.95 0.00 0.00 2.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 52 D 8.65 3.96 0.00 2.30 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 0.00 0.00 0.00 0.00 53 K 9.47 4.18 0.00 1.94 2.03 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.39 7.81 54 E 7.98 4.34 0.00 2.16 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 2.38 2.29 0.00 55 K 8.72 4.83 0.00 1.80 1.64 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.39 7.81 56 G 8.80 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 0.00 0.00 0.00 0.00 57 S 6.89 4.18 0.00 3.70 3.44 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 58 S 9.18 4.66 0.00 4.00 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 0.00 59 R 8.29 3.77 0.00 2.39 2.17 0.00 3.39 0.00 0.00 3.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 *61 G 7.85 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 0.00 0.00 0.00 0.00 62 F 8.63 5.31 0.00 3.28 2.91 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 63 E 8.34 4.64 0.00 1.81 1.76 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 2.21 2.11 0.00 64 A 7.99 5.02 0.48 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 65 T 8.22 5.20 4.36 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 1.40 0.00 0.00 66 Y 9.93 4.25 0.00 3.24 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 67 N 9.07 5.40 0.00 2.93 2.77 0.00 0.00 6.46 6.79 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 68 K 9.78 4.36 0.00 1.90 1.79 0.00 0.76 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.41 7.81 69 E 8.43 3.88 0.00 2.17 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 0.00 2.33 2.38 0.00 70 A 8.66 4.29 1.33 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 71 T 7.21 2.99 3.24 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 0.93 0.00 0.00 72 S 7.90 5.30 0.00 3.65 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 73 F 8.58 5.70 0.00 2.93 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 74 H 8.17 4.73 0.00 3.21 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.77 4.12 0.00 0.27 0.53 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.81 4.72 0.00 1.87 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.48 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 77 K 8.20 4.14 0.00 1.06 1.10 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.88 0.88 7.81 78 A 8.77 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.77 0.00 3.82 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 80 V 8.50 4.00 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 0.58 0.00 0.00 0.94 0.00 0.00 81 Q 9.51 4.44 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 82 E 8.94 4.14 0.00 2.08 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 2.40 2.36 0.00 83 S 7.95 4.49 0.00 3.89 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 84 D 8.05 4.77 0.00 2.85 3.12 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 0.00 85 S 7.89 4.89 0.00 3.99 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 86 A 7.95 4.43 0.98 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 0.00 0.00 87 V 7.83 4.62 1.91 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 0.40 0.00 0.00 0.84 0.00 0.00 88 Y 8.82 5.12 0.00 2.98 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 89 Y 9.57 5.28 0.00 3.11 3.12 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 0.00 90 C 9.21 3.90 0.00 1.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.36 4.95 0.20 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 92 L 8.24 4.89 0.00 1.41 1.41 0.84 0.35 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 93 S 9.13 4.37 0.00 3.33 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 *98 E 8.29 4.57 0.00 2.17 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 2.26 2.37 0.00 99 N 7.66 4.49 0.00 2.85 3.04 0.00 0.00 6.72 7.43 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 0.00 100 Y 8.09 4.73 0.00 2.87 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 0.00 101 G 7.84 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 101A N 9.39 4.24 0.00 2.82 2.86 0.00 0.00 6.89 7.66 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 0.00 102 E 8.52 4.05 0.00 2.07 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 2.22 2.40 0.00 103 K 7.29 4.54 0.00 1.54 1.69 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 104 I 8.19 4.37 1.81 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 0.98 0.20 0.18 0.00 0.00 105 T 8.19 4.47 4.15 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 0.00 0.00 1.25 0.00 0.00 106 F 8.89 5.05 0.00 2.70 2.91 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 0.00 107 G 8.77 4.14 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 0.00 108 A 8.75 4.07 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 0.00 109 G 8.77 3.65 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 0.00 0.00 0.00 110 T 8.04 4.75 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 111 K 8.97 4.62 0.00 1.83 1.67 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.37 7.81 112 L 9.39 5.16 0.00 1.89 1.87 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.76 4.72 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 1.23 0.00 0.00 114 I 8.88 5.59 1.91 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 0.94 1.08 0.98 0.00 0.00 115 K 8.48 4.52 0.00 1.83 1.93 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.47 7.81 116 P 0.00 5.47 0.00 2.07 2.07 0.00 3.77 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.