NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9366 8.3544 109.7373 45.3842 0.0000 173.8454 2 L 4.5581 7.4103 120.0015 52.7529 45.8881 172.1110 3 E 4.7189 9.5363 127.0700 54.8555 31.6758 177.6573 4 C 4.5175 8.9038 123.1979 56.9414 37.7654 173.0240 5 D 4.6689 7.9383 122.5770 50.1082 40.6679 176.4403 6 G 4.0637 7.8022 114.8611 45.2898 0.0000 173.2060 7 K 4.5660 8.5754 126.4739 54.0560 32.7553 175.2345 8 V 3.6805 8.0254 121.2388 66.8042 31.1199 177.0887 9 N 4.4540 8.4108 114.2295 54.2873 36.5642 173.1202 10 I 4.5490 7.3439 114.5217 58.4841 40.9171 175.8528 11 C 4.6108 8.9304 124.3122 57.6115 37.2888 171.2848 12 C 5.1850 9.1267 120.0293 52.8347 46.2321 172.8437 13 K 4.6393 8.8754 123.7438 56.5026 33.2261 176.0870 14 K 4.7207 8.1874 130.5827 53.1608 34.4037 172.9945 15 Q 5.0361 8.5077 123.2742 55.1401 29.8711 175.6340 16 F 5.0709 8.8647 123.8185 57.1314 43.2554 172.2266 17 F 4.4710 8.1563 128.5191 56.4358 40.6948 174.6912 18 V 3.2811 7.4027 128.0692 61.1840 32.3639 174.5363 19 S 4.4539 7.8618 122.9966 57.3926 63.9033 174.5860 20 F 4.5814 8.9179 124.3793 58.7220 39.0393 178.3091 21 K 4.0873 7.8786 119.4027 59.2392 31.9229 178.4175 22 D 4.4132 8.1194 117.4490 57.9319 40.8382 179.0036 23 I 3.7821 6.9962 118.0540 62.0159 37.0333 176.9012 24 G 4.0811 8.1291 106.6504 46.1125 0.0000 173.8295 25 W 4.9531 8.7448 118.2504 55.8358 30.3692 177.3652 26 N 4.3898 8.4390 117.1434 56.4366 38.5450 175.3121 27 D 4.6725 8.2691 116.9816 56.0601 41.5443 177.1879 28 W 4.9440 8.0383 114.0920 56.8071 29.0958 175.4034 29 I 4.0635 6.7156 120.8532 59.5604 36.5703 175.6441 30 I 3.7645 8.3938 127.5932 63.7597 37.3667 176.7099 31 A 4.5486 7.1903 119.6852 50.5741 21.9028 175.3790 32 P 4.5809 0.0000 0.0000 62.7917 32.5965 175.9093 33 S 4.6714 8.6343 109.3333 59.8876 64.2472 173.2769 34 G 3.5552 7.6523 105.9161 46.2852 0.0000 171.4959 35 Y 4.7482 6.7902 116.8882 56.0677 41.8089 173.9087 36 H 4.6959 8.9072 117.5286 55.4627 28.6057 175.0374 37 A 4.3075 8.4682 126.8808 52.3759 20.2825 176.4979 38 N 4.7799 8.6244 115.7329 53.0084 38.4131 172.1402 39 Y 5.2688 7.9790 116.1956 56.2819 42.2025 172.7228 40 C 5.1652 8.8132 116.8298 55.5507 43.2625 173.1434 41 E 4.7872 8.9229 122.1929 55.1303 33.1899 173.2669 42 G 4.4723 8.4976 109.3176 43.1552 0.0000 172.7479 43 E 4.3546 8.2238 122.0906 55.4788 31.0913 177.7401 44 C 4.6791 8.2320 123.1861 55.1052 37.4591 171.4169 45 P 4.4805 0.0000 0.0000 62.3967 33.5776 177.0992 46 S 4.3789 8.4995 116.2767 62.5966 61.4977 177.0555 *47 H 4.1168 8.2475 121.0381 59.9013 27.3224 178.8043 48 I 4.3904 7.3579 120.3845 63.5403 36.9209 178.2868 49 A 4.0944 7.7996 121.3705 55.2102 18.4585 179.6347 50 G 3.7179 7.9869 101.2665 46.7758 0.0000 174.8442 51 T 4.3837 7.0657 115.1473 64.0809 68.0280 176.0232 52 S 4.3666 7.9830 116.1502 58.4927 62.1900 174.9271 53 G 3.8079 7.4107 108.2860 46.2185 0.0000 173.8187 54 S 4.5438 7.2863 112.3643 56.7224 64.0753 175.3041 55 S 4.1148 8.5807 115.1695 60.8811 62.8386 175.0246 56 L 4.5844 7.6634 120.3386 54.9420 42.0446 178.5920 57 S 4.1961 8.4213 117.7940 61.6370 62.8999 176.1848 58 F 3.9998 8.2031 122.7464 61.5823 39.2237 176.2580 59 H 4.0948 8.4377 117.2811 59.5504 29.6948 176.9631 60 S 4.0448 8.1067 114.6494 61.5331 62.1703 176.1472 61 T 3.9473 7.5934 118.2847 65.8465 67.9145 177.2310 62 V 3.3100 6.8819 119.3018 65.8832 31.8269 177.7331 63 I 3.3931 7.3379 119.4201 64.4361 37.0462 178.0010 64 N 4.1741 7.9138 117.4909 56.9976 38.4159 176.5187 65 H 4.1409 7.7849 116.4568 58.6980 29.0068 176.9410 66 Y 4.1428 8.2711 119.0467 60.5816 37.5856 177.7262 67 R 4.2338 7.8696 118.8837 58.6298 30.1040 177.0192 68 M 4.3849 7.5837 116.0428 55.5746 32.2306 176.5249 69 R 4.4381 7.9565 116.9020 55.0682 33.0182 175.3679 70 G 3.7858 7.6203 104.6878 46.2186 0.0000 173.3507 71 H 4.4216 8.4229 118.2191 55.3935 30.8516 175.2384 72 S 4.0149 8.7611 121.5679 61.5448 63.0108 175.0605 73 P 4.0723 0.0000 0.0000 65.7615 30.9641 177.0210 74 F 4.7516 7.0780 114.7791 57.4545 39.3102 177.3267 75 A 4.0317 7.7994 123.7487 55.3008 18.1683 178.5229 76 N 4.7447 8.1083 109.6358 53.1527 38.8155 174.5498 77 L 4.5741 7.5667 119.4486 53.2341 42.6196 176.0670 78 K 4.4982 8.4210 123.1526 54.5159 34.1571 176.4575 79 S 4.5469 8.4080 118.3925 57.5838 61.9120 172.6575 80 C 4.3194 8.4203 127.6458 59.0525 33.0047 172.8557 81 C 4.8973 8.7611 126.0906 56.4260 44.5959 172.5547 82 V 4.7309 8.6921 119.0715 58.6184 36.3587 173.3675 83 P 5.0407 0.0000 0.0000 63.2841 31.1975 176.6962 84 T 4.6377 8.9802 114.9129 62.0483 71.1442 174.9793 85 K 4.6383 7.9313 125.6916 53.6693 35.9010 180.3050 86 L 5.1951 8.6175 125.1802 51.9893 44.5672 176.1591 87 R 4.5758 8.8166 124.9712 54.6743 32.0195 174.2395 88 P 4.9850 0.0000 0.0000 62.5605 33.5645 174.1382 89 M 4.8446 8.5861 117.7587 54.3840 36.0889 173.3299 90 S 5.2930 8.5562 119.2156 57.6511 64.5460 173.6104 91 M 5.0091 8.7260 122.3844 53.5092 36.6615 173.8071 92 L 4.9074 9.0462 124.9550 53.8316 44.3194 174.9822 93 Y 5.0997 8.6609 123.7446 56.5832 42.0827 172.4258 94 Y 5.9066 9.3799 117.6386 56.0008 39.6414 176.5093 95 D 4.9473 8.6181 123.6905 51.7337 41.6807 176.2058 96 D 4.0864 8.8625 118.0766 57.6571 40.7174 177.4117 97 G 3.8541 9.4223 106.8280 45.1224 0.0000 174.1544 98 Q 3.9332 8.8386 117.1578 56.5763 27.0002 173.5019 99 N 4.7886 7.7504 115.7649 53.1214 40.3621 174.1219 100 I 4.5496 8.1352 121.3904 60.2869 38.3435 175.5120 101 I 4.3759 8.4684 127.8735 59.1062 41.2048 174.8404 102 K 4.8814 8.5986 126.7014 54.6905 33.3134 174.5109 103 K 4.7576 8.7627 128.0258 54.4771 36.4896 174.1006 104 D 5.2055 8.6381 122.4576 52.8566 42.2095 176.1500 105 I 4.3488 8.3558 125.4754 60.1054 38.9569 175.4647 106 Q 4.4090 8.6962 125.5792 55.4762 29.8850 175.4071 107 N 4.2173 8.4264 117.7838 54.9284 35.8285 174.7872 108 M 4.4643 8.0602 117.4031 56.5770 34.0766 178.2297 109 I 4.6552 7.9553 119.5992 59.3248 40.1359 175.4685 110 V 4.2222 8.4881 127.6582 62.6746 30.9847 174.9424 111 E 4.5384 9.4034 132.6344 57.7232 30.9924 176.4371 112 E 4.8927 8.0224 115.7895 54.9907 34.3458 179.3892 113 C 5.4921 8.4355 118.7347 55.2889 45.2306 173.4973 114 G 4.2250 8.4588 104.8846 45.7484 0.0000 172.4920 115 C 5.2090 8.9468 119.9227 56.7121 41.4999 173.9276 116 S 4.4120 8.2124 115.4384 59.3268 62.6002 176.0981 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 G 8.35 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 2 L 7.41 4.56 0.00 1.80 1.46 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.54 4.72 0.00 1.86 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 2.21 2.30 0.00 4 C 8.90 4.52 0.00 2.83 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 0.00 5 D 7.94 4.67 0.00 2.64 2.60 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 6 G 7.80 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 7 K 8.58 4.57 0.00 1.75 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.95 7.81 8 V 8.03 3.68 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 0.91 0.00 0.00 0.92 0.00 0.00 9 N 8.41 4.45 0.00 2.86 3.05 0.00 0.00 6.76 7.94 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 10 I 7.34 4.55 1.86 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 0.78 0.91 0.00 0.00 11 C 8.93 4.61 0.00 2.98 3.06 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 12 C 9.13 5.19 0.00 2.93 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 13 K 8.88 4.64 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.34 7.81 14 K 8.19 4.72 0.00 1.47 1.63 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.26 7.81 15 Q 8.51 5.04 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 16 F 8.86 5.07 0.00 3.39 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 17 F 8.16 4.47 0.00 2.73 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 18 V 7.40 3.28 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 0.00 0.00 0.33 0.00 0.00 0.48 0.00 0.00 19 S 7.86 4.45 0.00 4.05 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 20 F 8.92 4.58 0.00 3.29 2.95 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 21 K 7.88 4.09 0.00 1.79 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.12 4.41 0.00 2.67 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 I 7.00 3.78 1.38 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.29 -0.75 0.00 0.00 24 G 8.13 4.08 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 0.00 0.00 0.00 25 W 8.74 4.95 0.00 3.24 2.50 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 26 N 8.44 4.39 0.00 2.84 2.98 0.00 0.00 7.06 8.47 0.00 0.00 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 D 8.27 4.67 0.00 2.90 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 28 W 8.04 4.94 0.00 3.76 3.40 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 29 I 6.72 4.06 1.28 0.00 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.50 0.00 0.00 30 I 8.39 3.76 1.86 0.00 0.00 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 0.90 -0.09 0.84 0.00 0.00 31 A 7.19 4.55 1.22 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 0.00 0.00 32 P 0.00 4.58 0.00 2.30 2.17 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 33 S 8.63 4.67 0.00 4.12 4.23 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 34 G 7.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.79 4.75 0.00 2.90 2.85 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 36 H 8.91 4.70 0.00 3.10 3.51 0.00 5.88 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 37 A 8.47 4.31 1.04 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 0.00 0.00 38 N 8.62 4.78 0.00 3.00 2.95 0.00 0.00 6.64 7.48 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 39 Y 7.98 5.27 0.00 3.01 2.89 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 40 C 8.81 5.17 0.00 2.92 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 41 E 8.92 4.79 0.00 2.17 1.64 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 2.22 2.32 0.00 42 G 8.50 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.35 0.00 1.94 1.85 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 2.26 2.32 0.00 44 C 8.23 4.68 0.00 3.04 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 45 P 0.00 4.48 0.00 2.15 1.99 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 46 S 8.50 4.38 0.00 3.84 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 *47 H 8.25 4.12 0.00 2.91 3.10 0.00 7.17 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.36 4.39 2.02 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 1.45 0.50 0.91 0.00 0.00 49 A 7.80 4.09 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 50 G 7.99 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 0.00 0.00 0.00 51 T 7.07 4.38 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 1.21 0.00 0.00 52 S 7.98 4.37 0.00 4.16 3.81 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 53 G 7.41 3.81 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 0.00 0.00 0.00 54 S 7.29 4.54 0.00 4.01 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 55 S 8.58 4.11 0.00 4.02 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 56 L 7.66 4.58 0.00 1.81 1.74 0.94 0.89 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 57 S 8.42 4.20 0.00 4.00 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 58 F 8.20 4.00 0.00 3.15 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 59 H 8.44 4.09 0.00 3.32 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.11 4.04 0.00 4.17 3.81 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 61 T 7.59 3.95 4.04 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 1.10 0.00 0.00 62 V 6.88 3.31 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 0.85 0.00 0.00 0.37 0.00 0.00 63 I 7.34 3.39 1.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.08 0.00 0.00 64 N 7.91 4.17 0.00 2.91 2.77 0.00 0.00 7.32 7.96 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 65 H 7.78 4.14 0.00 3.21 3.23 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.27 4.14 0.00 3.08 3.19 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 67 R 7.87 4.23 0.00 1.89 2.07 0.00 3.31 0.00 0.00 3.36 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 68 M 7.58 4.38 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 69 R 7.96 4.44 0.00 1.87 1.90 0.00 3.22 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 70 G 7.62 3.79 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 0.00 0.00 0.00 71 H 8.42 4.42 0.00 3.65 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.76 4.01 0.00 3.89 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 73 P 0.00 4.07 0.00 1.27 1.84 0.00 3.33 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.62 0.00 74 F 7.08 4.75 0.00 3.07 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 75 A 7.80 4.03 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 76 N 8.11 4.74 0.00 2.74 2.86 0.00 0.00 6.84 7.85 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 77 L 7.57 4.57 0.00 1.96 1.71 1.12 1.15 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 78 K 8.42 4.50 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 79 S 8.41 4.55 0.00 3.99 3.80 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 0.00 0.00 0.00 80 C 8.42 4.32 0.00 3.07 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 81 C 8.76 4.90 0.00 3.12 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 82 V 8.69 4.73 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 0.77 0.00 0.00 1.01 0.00 0.00 83 P 0.00 5.04 0.00 1.97 2.03 0.00 3.65 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 2.08 2.14 0.00 84 T 8.98 4.64 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 1.26 0.00 0.00 85 K 7.93 4.64 0.00 1.40 1.65 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.03 7.81 86 L 8.62 5.20 0.00 1.66 1.63 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.82 4.58 0.00 2.17 1.81 0.00 3.11 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 88 P 0.00 4.99 0.00 2.15 2.22 0.00 3.82 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 1.97 1.97 0.00 89 M 8.59 4.84 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 90 S 8.56 5.29 0.00 3.80 3.78 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 91 M 8.73 5.01 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 92 L 9.05 4.91 0.00 1.67 1.46 0.86 0.72 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 93 Y 8.66 5.10 0.00 3.38 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 94 Y 9.38 5.91 0.00 3.12 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 95 D 8.62 4.95 0.00 2.98 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 96 D 8.86 4.09 0.00 2.58 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 97 G 9.42 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 0.00 0.00 0.00 98 Q 8.84 3.93 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 99 N 7.75 4.79 0.00 2.78 2.72 0.00 0.00 6.97 7.35 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 0.00 100 I 8.14 4.55 1.80 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 1.20 0.59 0.73 0.00 0.00 101 I 8.47 4.38 0.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.41 0.77 0.00 0.00 102 K 8.60 4.88 0.00 1.67 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.32 7.81 103 K 8.76 4.76 0.00 1.98 1.90 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 104 D 8.64 5.21 0.00 2.61 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 0.00 105 I 8.36 4.35 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.90 0.00 0.00 106 Q 8.70 4.41 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 107 N 8.43 4.22 0.00 2.91 2.93 0.00 0.00 6.96 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 0.00 108 M 8.06 4.46 0.00 1.64 2.02 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 109 I 7.96 4.66 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.11 1.01 0.00 0.00 110 V 8.49 4.22 2.29 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 0.74 0.00 0.00 1.02 0.00 0.00 111 E 9.40 4.54 0.00 2.02 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 2.26 2.27 0.00 112 E 8.02 4.89 0.00 1.63 1.71 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 2.20 1.90 0.00 113 C 8.44 5.49 0.00 2.79 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 0.00 114 G 8.46 4.23 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 0.00 115 C 8.95 5.21 0.00 2.87 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 0.00 116 S 8.21 4.41 0.00 3.81 3.78 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 * Residues marked with a * may have inaccurate shift predictions.