NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0589 8.0549 117.9084 60.3011 33.6464 175.4389 4 I 4.3673 8.0286 122.1088 58.0626 38.7164 173.7325 5 N 5.0929 8.3466 124.7239 51.6980 38.7280 173.6890 6 T 4.7124 7.7717 108.5461 60.6088 72.6182 174.0260 7 F 4.1751 8.4480 121.0023 61.2816 38.9982 177.8710 8 D 4.5584 8.2959 117.8400 57.1854 40.7911 178.9489 9 G 3.6567 8.1901 106.3233 48.0005 0.0000 176.2835 10 V 3.7415 8.2558 115.2542 63.7450 31.4548 178.4597 11 A 4.0804 8.1071 120.6500 55.5161 17.8235 179.5221 12 D 4.2689 8.3249 117.3304 57.4881 40.9001 178.2911 13 Y 3.9147 8.2070 120.1042 60.6210 38.8041 178.1949 14 L 3.8525 8.4080 120.2300 58.0177 41.5427 179.5724 15 Q 3.6887 7.3536 116.5792 58.7698 28.6099 178.7847 16 T 3.5506 6.7379 115.0443 65.8557 68.8408 175.6050 17 Y 4.2430 6.6329 115.0105 57.4388 38.7212 175.5805 18 H 3.0723 7.5505 116.1062 55.3045 26.8506 174.3704 19 K 4.6960 7.6265 114.7928 55.7915 34.9607 175.0666 20 L 4.1427 8.2219 119.8732 53.4737 42.7306 175.3303 21 P 3.7746 0.0000 0.0000 62.2218 31.7655 177.4933 22 D 4.5169 8.3686 119.4360 57.0913 40.9049 177.3997 23 N 4.5455 8.0498 115.1968 53.2637 37.5040 173.3289 24 Y 5.7901 7.5348 115.6354 55.9812 40.0749 175.2652 25 I 4.9676 8.0645 115.5913 59.5500 41.6246 174.7505 26 T 4.7110 9.5486 115.3348 60.4414 70.2440 175.6369 27 K 3.9228 9.2096 121.5121 59.8406 32.0156 179.9551 28 S 4.2407 8.0829 114.8783 61.5294 62.6404 176.3247 29 E 3.9541 7.8973 119.4179 59.3359 29.6111 178.6957 30 A 4.1594 8.0084 120.7144 55.6076 18.4480 179.6299 31 Q 4.1590 8.4912 116.0056 59.2934 28.6299 179.1380 32 A 4.1418 7.9246 120.0683 54.5200 18.4512 178.8508 33 L 4.3707 7.5948 116.0461 54.9748 42.0395 177.6367 34 G 4.1828 7.6505 107.3102 44.9488 0.0000 173.3237 35 W 4.4521 8.2369 129.7531 56.7616 31.3188 175.7256 36 V 3.7846 8.8180 126.2110 60.5162 31.6030 175.5031 37 A 3.4089 7.2773 131.2959 55.1082 18.2157 179.4870 38 S 4.4833 7.7905 109.4411 60.4379 62.9841 174.9122 39 K 4.2856 7.7908 118.4306 55.1193 32.5982 176.2648 40 G 3.1789 7.4176 107.3701 46.7687 0.0000 174.3748 41 N 4.9371 7.9720 113.5331 52.2265 38.0337 174.7604 42 L 3.9391 8.4101 124.2238 59.1935 41.8922 178.7105 43 A 4.0546 8.2313 119.7813 55.3173 18.0106 179.2081 44 D 4.3226 7.9025 116.3149 57.4310 41.1305 178.7453 45 V 4.0368 7.7590 111.7498 62.5182 33.3627 176.5080 46 A 4.6091 8.2118 121.8295 48.6009 18.7543 172.0827 47 P 4.5938 0.0000 0.0000 63.1089 32.0886 177.4305 48 G 3.8888 8.8981 110.4467 45.2397 0.0000 173.2413 49 K 4.6847 7.4390 118.2498 55.4730 33.7888 176.3746 50 S 4.5663 8.4971 117.9245 56.5361 67.2606 173.5235 51 I 4.2626 7.9051 123.5845 61.2667 38.0233 175.2510 52 G 4.1776 9.2243 111.3889 46.9739 0.0000 174.2503 53 G 4.4224 9.8725 109.8611 44.6573 0.0000 174.2960 54 D 4.7241 8.0090 119.6042 53.8982 42.3485 175.8678 55 I 4.2736 8.3450 122.0641 61.4929 38.0484 175.0879 56 F 4.8501 8.7503 129.0492 56.3515 40.2615 175.6975 57 S 3.9577 8.1168 121.3185 59.7494 63.4239 173.8428 58 N 3.9051 7.0645 119.8373 54.8873 36.6687 176.5315 *59 R 3.9179 7.7302 117.2350 59.6171 29.7558 179.9178 60 E 4.1908 8.1996 115.5968 55.9395 29.3429 177.2312 61 G 4.1814 7.3739 106.9357 46.3777 0.0000 174.9761 62 K 4.1253 7.4745 119.2297 57.2531 32.6853 177.5762 63 L 3.8627 7.0755 118.7663 51.2217 43.3593 174.5279 64 P 4.3100 0.0000 0.0000 62.8248 31.7707 176.5462 65 G 4.0161 8.3875 111.5140 44.4953 0.0000 172.7458 66 K 4.1230 8.5377 119.1904 56.1160 34.8978 174.6963 *67 S 4.1281 8.9627 122.0203 59.7910 62.4086 171.3907 68 G 3.8587 8.7506 112.0190 44.9776 0.0000 172.6972 69 R 4.2034 8.1771 121.0151 55.1866 30.9073 175.7825 70 T 4.5976 8.8684 123.3994 61.6417 71.5629 173.4515 71 W 5.0097 8.5175 123.3221 55.1008 32.4539 174.9316 72 R 5.2224 8.9513 121.7084 54.3541 34.4670 173.6890 73 E 5.4777 9.1975 117.2744 54.9577 33.6626 174.5115 74 A 4.9728 8.6905 120.7574 50.5678 22.9476 175.3552 75 D 4.8479 9.2322 122.4795 54.2168 41.7387 176.0999 76 I 4.3482 7.9619 122.8191 60.0773 40.0181 175.1960 77 N 4.1701 8.7068 121.4960 54.3417 36.7186 173.4779 78 Y 4.4043 7.8020 119.8034 57.0308 39.8566 174.4680 79 T 4.0345 7.5229 115.2329 62.4387 70.5711 173.6860 80 S 4.0958 6.4379 112.6002 57.9807 65.9020 174.3850 81 G 3.8390 8.4819 107.2018 45.6764 0.0000 173.2074 82 F 4.5323 8.7005 118.0073 57.1349 39.6655 175.4738 83 R 4.1542 8.8649 122.9469 56.7518 30.5517 176.9789 84 N 4.8744 8.6021 118.7037 52.4588 39.9599 175.1128 85 S 4.2411 8.4811 113.6873 58.5575 64.5673 172.7130 86 D 5.4721 8.3345 121.8065 53.6442 42.3033 175.8238 87 R 5.0211 9.2513 121.5144 54.4615 35.3000 173.7620 88 A 5.3293 9.0419 124.1045 50.6014 21.3847 175.8160 89 L 5.4021 9.3822 123.3358 53.0841 44.6234 175.3214 90 Y 5.6784 9.0518 122.3303 55.3368 41.7661 174.9777 91 S 4.2566 8.1968 116.3685 56.0540 65.3618 175.2222 92 S 3.6151 7.8677 115.3209 60.4210 62.5291 174.9587 93 D 4.4600 7.1761 118.5796 52.1272 39.2889 175.8492 94 W 3.8335 6.7109 117.2796 58.2996 27.2890 174.4284 95 L 4.5058 7.7689 117.7616 54.3292 42.3386 176.1028 96 I 5.4113 8.6684 123.2366 59.9544 40.3756 174.3255 97 Y 5.2877 9.5887 123.6270 56.0114 42.2625 174.4614 98 K 5.3889 9.5221 119.4207 55.6149 36.4872 174.9989 99 T 4.9415 9.3602 115.2574 59.2405 70.8378 174.0448 100 T 5.2051 8.6790 115.1769 60.0542 70.1295 173.3441 101 D 4.7941 7.3783 120.8818 53.9038 39.7378 175.0273 102 H 3.5681 8.4648 111.2911 58.5666 26.5995 175.3327 103 Y 3.2476 7.6147 111.3711 59.1161 35.3418 171.3349 104 Q 4.2092 7.7648 120.0459 58.1493 29.0939 176.6657 105 T 4.6242 8.2119 106.6694 59.5515 71.8162 172.4511 106 F 5.3935 8.5302 120.4131 56.1641 42.9709 174.3057 107 T 4.7303 8.9004 118.6745 61.3421 71.7061 173.3349 108 K 3.4223 8.5875 128.1593 56.0616 32.2516 176.3724 109 I 4.4181 8.8464 119.7725 60.6984 39.5751 175.7862 110 R 4.1808 7.5615 125.3859 56.6798 31.0610 174.5459 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 V 8.05 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.03 4.37 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.96 0.00 0.00 5 N 8.35 5.09 0.00 2.74 2.82 0.00 0.00 5.81 7.22 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 6 T 7.77 4.71 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 1.21 0.00 0.00 7 F 8.45 4.18 0.00 3.15 3.16 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 8 D 8.30 4.56 0.00 2.75 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 9 G 8.19 3.66 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 0.00 0.00 0.00 10 V 8.26 3.74 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 0.88 0.00 0.00 0.88 0.00 0.00 11 A 8.11 4.08 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 12 D 8.32 4.27 0.00 2.75 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 13 Y 8.21 3.91 0.00 3.25 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 14 L 8.41 3.85 0.00 1.94 1.71 0.44 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.35 3.69 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 16 T 6.74 3.55 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 0.23 0.00 0.00 17 Y 6.63 4.24 0.00 2.68 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 18 H 7.55 3.07 0.00 3.13 3.28 0.00 5.88 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.63 4.70 0.00 2.19 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 1.02 7.81 20 L 8.22 4.14 0.00 1.62 1.45 0.75 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.77 0.00 2.25 1.24 0.00 3.54 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.49 0.00 22 D 8.37 4.52 0.00 2.62 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 23 N 8.05 4.55 0.00 2.78 2.88 0.00 0.00 6.16 7.57 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 24 Y 7.53 5.79 0.00 3.09 2.86 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 25 I 8.06 4.97 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.89 0.00 0.00 26 T 9.55 4.71 4.51 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 1.27 0.00 0.00 27 K 9.21 3.92 0.00 2.03 2.14 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 1.58 7.81 28 S 8.08 4.24 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 29 E 7.90 3.95 0.00 2.10 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 0.00 2.37 2.36 0.00 30 A 8.01 4.16 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 31 Q 8.49 4.16 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 32 A 7.92 4.14 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 33 L 7.59 4.37 0.00 1.93 1.77 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.65 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 0.00 0.00 0.00 0.00 35 W 8.24 4.45 0.00 3.16 3.23 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 36 V 8.82 3.78 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 0.80 0.00 0.00 0.86 0.00 0.00 37 A 7.28 3.41 0.71 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 0.00 0.00 38 S 7.79 4.48 0.00 3.83 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 39 K 7.79 4.29 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.29 7.81 40 G 7.42 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 0.00 0.00 0.00 41 N 7.97 4.94 0.00 2.93 2.99 0.00 0.00 5.72 6.67 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 42 L 8.41 3.94 0.00 1.51 1.77 0.42 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.23 4.05 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 44 D 7.90 4.32 0.00 2.84 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 45 V 7.76 4.04 2.13 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 0.90 0.00 0.00 1.02 0.00 0.00 46 A 8.21 4.61 1.18 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 0.00 0.00 47 P 0.00 4.59 0.00 2.03 2.00 0.00 3.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 48 G 8.90 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.44 4.68 0.00 1.67 1.60 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.49 7.81 50 S 8.50 4.57 0.00 2.77 3.49 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 51 I 7.91 4.26 1.82 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.39 0.85 0.00 0.00 52 G 9.22 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 0.00 0.00 0.00 0.00 53 G 9.87 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 0.00 0.00 0.00 0.00 54 D 8.01 4.72 0.00 2.71 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 55 I 8.35 4.27 1.88 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 1.22 0.47 0.91 0.00 0.00 56 F 8.75 4.85 0.00 3.00 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 57 S 8.12 3.96 0.00 3.81 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 58 N 7.06 3.91 0.00 2.87 2.83 0.00 0.00 7.32 7.65 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 *59 R 7.73 3.92 0.00 1.87 1.83 0.00 3.32 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 60 E 8.20 4.19 0.00 2.03 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 2.40 2.29 0.00 61 G 7.37 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 0.00 0.00 0.00 0.00 62 K 7.47 4.13 0.00 2.16 2.01 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.47 1.28 7.81 63 L 7.08 3.86 0.00 0.52 0.13 -0.63 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.31 0.00 2.33 2.15 0.00 3.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 65 G 8.39 4.02 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 0.00 0.00 0.00 66 K 8.54 4.12 0.00 1.77 1.59 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.24 7.81 *67 S 8.96 4.13 0.00 3.66 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 68 G 8.75 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 69 R 8.18 4.20 0.00 1.60 1.83 0.00 3.12 0.00 0.00 2.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.22 0.00 70 T 8.87 4.60 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 71 W 8.52 5.01 0.00 3.47 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 72 R 8.95 5.22 0.00 0.67 1.51 0.00 3.11 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 73 E 9.20 5.48 0.00 2.15 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 2.37 2.38 0.00 74 A 8.69 4.97 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 75 D 9.23 4.85 0.00 2.69 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 76 I 7.96 4.35 1.34 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 -0.09 0.00 0.00 77 N 8.71 4.17 0.00 2.81 2.90 0.00 0.00 6.89 8.21 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 78 Y 7.80 4.40 0.00 2.99 2.81 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 0.00 0.00 0.00 79 T 7.52 4.03 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 1.08 0.00 0.00 80 S 6.44 4.10 0.00 3.85 3.68 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 G 8.48 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 82 F 8.70 4.53 0.00 3.13 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 83 R 8.86 4.15 0.00 1.99 1.95 0.00 3.22 0.00 0.00 3.61 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 84 N 8.60 4.87 0.00 2.86 2.97 0.00 0.00 6.00 7.64 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 85 S 8.48 4.24 0.00 3.74 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 86 D 8.33 5.47 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 87 R 9.25 5.02 0.00 1.64 1.82 0.00 3.57 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.05 0.00 88 A 9.04 5.33 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 89 L 9.38 5.40 0.00 1.63 1.54 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.05 5.68 0.00 3.15 3.21 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 91 S 8.20 4.26 0.00 2.95 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 92 S 7.87 3.62 0.00 3.68 3.72 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 93 D 7.18 4.46 0.00 2.68 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 94 W 6.71 3.83 0.00 3.55 3.41 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 0.00 95 L 7.77 4.51 0.00 1.81 1.92 1.17 0.76 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 96 I 8.67 5.41 2.01 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 1.14 0.00 0.00 97 Y 9.59 5.29 0.00 2.86 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 98 K 9.52 5.39 0.00 0.89 1.52 0.00 0.91 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.00 1.20 7.81 99 T 9.36 4.94 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 0.99 0.00 0.00 100 T 8.68 5.21 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 1.27 0.00 0.00 101 D 7.38 4.79 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.46 3.57 0.00 3.33 3.51 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.61 3.25 0.00 3.18 3.21 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 0.00 104 Q 7.76 4.21 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 105 T 8.21 4.62 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 1.17 0.00 0.00 106 F 8.53 5.39 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 0.00 107 T 8.90 4.73 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 1.16 0.00 0.00 108 K 8.59 3.42 0.00 1.02 1.45 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.00 7.81 109 I 8.85 4.42 1.85 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 1.37 0.89 0.82 0.00 0.00 110 R 7.56 4.18 0.00 1.88 1.83 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.