NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8893 8.3501 109.7416 44.9386 0.0000 173.2355 6 A 4.0869 8.2097 122.2557 50.8757 18.8829 176.1183 7 A 4.0910 7.5670 123.9818 51.5485 20.2054 176.3188 8 D 4.4453 8.2219 119.5966 53.4560 41.2381 177.7624 9 L 3.7849 8.1418 120.1891 57.7725 41.6084 179.5033 10 D 4.2195 7.9170 118.4835 57.6482 40.8395 178.7548 11 T 3.8825 8.1103 116.0936 66.6058 68.4269 176.6314 12 Q 3.7313 7.8986 119.9386 58.9248 28.6760 178.9035 13 R 4.1050 8.1660 119.7693 59.6801 30.1237 178.5330 14 S 4.1096 8.2312 112.7664 61.4380 62.4533 175.7004 15 D 4.5019 8.7676 122.0341 57.6874 40.5798 179.0089 16 I 3.9819 8.3871 120.0740 64.2848 36.9578 178.1522 17 A 4.4512 8.6033 121.1173 55.7672 18.4504 179.5920 18 T 4.0742 8.0917 113.9564 66.9826 68.6066 177.0890 19 L 4.0657 8.1987 120.7754 57.5993 41.3889 179.4003 20 L 4.3123 8.3912 118.4626 56.9503 41.6209 178.5101 21 K 4.5119 7.9127 116.4944 55.4330 32.8012 176.9152 22 T 4.0808 7.5181 117.3031 63.8643 68.9592 174.3386 23 S 4.4421 8.6308 121.9074 58.0283 63.6687 174.1954 24 L 4.1693 8.3316 124.2914 54.9155 42.1480 176.9516 25 R 4.6466 8.4208 121.1101 53.6551 33.7454 174.6643 26 K 4.1285 8.6972 123.2777 58.3746 32.4423 176.7032 27 G 4.0358 9.2032 115.3051 45.3059 0.0000 173.5271 28 D 4.6740 7.9622 119.5300 54.7696 42.2721 175.3098 29 T 4.9570 8.3903 117.4095 62.0083 70.2443 174.1072 30 W 5.0108 9.2576 125.4093 55.0071 33.8474 173.7935 31 Y 4.7580 9.1890 118.4761 56.0401 40.9361 175.1804 32 L 4.6868 8.1292 124.1142 54.4488 42.8772 176.5991 33 V 4.6343 8.9024 123.3576 60.6552 34.8515 174.3879 34 D 4.7482 9.6425 128.0840 54.7299 41.8243 176.7622 35 S 4.2784 9.2307 121.3217 61.7336 62.4622 176.4881 36 R 3.9352 8.4711 121.1662 59.2185 29.8613 178.2758 37 W 4.0486 8.5459 127.7198 60.4675 30.7180 177.4991 38 F 4.2965 8.7757 120.6644 61.3944 38.8603 177.2812 39 K 3.8759 8.5245 118.3675 59.2708 31.8595 179.1816 40 Q 3.7371 7.8010 119.6310 58.7214 28.9650 177.9075 41 W 3.5447 7.3568 129.3820 60.0964 30.4373 177.9556 42 K 3.1885 7.7620 118.4220 59.2127 31.0020 179.3255 43 K 3.6182 7.6181 118.5585 59.6202 31.8994 178.7923 44 Y 4.0073 7.6286 119.4362 60.0728 38.5035 177.4011 45 V 3.5914 6.9939 110.3400 59.7683 32.3722 175.7730 46 G 3.5457 7.1339 106.0349 46.1261 0.0000 175.2952 47 F 3.7927 8.0879 123.3422 60.2795 39.8810 174.7140 48 D 4.5140 7.3705 120.0737 51.9553 42.0713 177.6161 49 S 3.9459 8.2601 118.4912 60.6839 63.0389 175.0636 50 W 4.6456 6.9893 115.2560 56.8988 29.0571 175.7688 51 D 4.5833 7.4626 118.6065 53.5406 40.8190 174.8864 52 K 4.2254 7.4585 116.6341 56.5655 33.6824 177.7711 53 Y 4.2852 7.1967 117.3275 59.1078 38.3474 176.2016 54 Q 4.5166 7.1781 119.0548 55.5612 29.4598 174.5053 55 M 4.0068 7.3575 118.7808 57.2749 32.2730 176.8725 56 G 3.5134 8.2168 114.3891 45.2587 0.0000 172.6634 57 D 4.5978 8.1097 121.0107 53.4501 41.6714 177.1304 58 Q 4.1519 8.8438 126.2122 58.7762 28.9711 178.2197 59 N 4.5464 8.7095 114.7349 55.2482 38.6039 176.0654 60 V 4.3301 7.7124 110.0534 60.7334 31.0215 175.0493 61 Y 3.3241 7.7220 122.7135 57.2559 38.7638 175.4557 62 P 3.7563 0.0000 0.0000 62.9404 31.9541 177.2752 63 G 4.0699 6.1336 107.3235 43.7242 0.0000 171.1348 64 P 4.9179 0.0000 0.0000 61.9590 32.1700 176.9728 65 I 2.0000 8.1552 123.7115 61.7229 38.0884 174.5159 66 D 4.8166 7.7540 125.4823 52.5432 43.4035 174.1978 67 N 4.9097 9.2514 123.3899 53.1763 39.2453 177.3600 68 S 4.1301 8.6562 118.0850 61.9087 62.9399 177.4560 69 G 3.9377 8.1843 106.6691 48.0690 0.0000 173.9127 70 L 4.4078 8.2738 118.9338 55.0044 42.2703 175.7520 71 L 5.3276 7.9237 119.7090 52.3759 44.0763 176.7186 72 K 4.3847 8.4402 122.8160 56.7048 33.5582 176.5599 73 D 4.4373 8.7701 121.9129 54.3082 40.9891 174.6350 74 G 3.7292 9.1804 112.6651 44.6297 0.0000 175.2245 *76 A 4.1024 8.6855 119.0208 51.5082 20.5762 178.3189 77 Q 4.1683 8.6420 123.6490 55.8767 30.0922 175.1396 78 S 4.6443 8.4169 120.4568 56.2180 66.1510 172.5297 79 L 4.5192 8.5171 129.0144 54.7089 42.5231 176.6850 80 K 4.2540 8.9049 125.7676 56.5364 32.7693 176.7383 81 E 4.1498 8.6643 121.2574 57.0866 30.4268 176.6164 82 H 4.4660 8.5833 114.6640 56.8062 26.2044 175.3732 83 L 4.4622 7.3600 119.1094 54.7684 42.1849 176.6887 84 I 4.4755 9.3570 123.3835 59.0291 39.5847 174.6068 85 D 3.3700 8.4137 123.7476 55.4508 41.6124 175.9876 86 E 4.1258 8.3866 130.8692 57.5689 28.9204 176.2291 87 L 4.0896 7.6391 116.0809 57.7639 42.1253 177.9357 88 D 4.7170 8.4627 118.3550 55.9209 41.9228 175.9310 89 Y 5.5618 7.0459 115.1488 55.6040 41.8345 173.9291 90 I 4.7592 9.1479 113.7587 59.1493 41.2641 173.9669 91 L 5.5135 8.4705 121.4527 53.0485 44.5544 176.2039 92 L 5.0211 8.9566 122.3559 52.0850 45.7608 174.9224 93 P 3.4692 0.0000 0.0000 61.7504 32.5207 177.2995 94 T 3.9697 8.3507 114.7530 67.0933 68.1961 176.1023 95 E 3.9392 8.1253 120.4313 59.1813 29.6051 179.0231 96 G 3.4238 7.7718 105.1386 47.3709 0.0000 175.1696 97 W 3.9946 8.0834 131.3466 60.2335 30.6210 177.6483 98 N 3.8765 8.2289 116.5724 56.0335 37.8825 177.4877 99 K 3.0032 7.4830 119.5732 59.1416 31.9796 179.3216 100 L 4.0215 7.1102 118.9812 57.7333 41.3860 179.8767 101 V 3.1263 7.0350 118.4502 65.7691 31.1518 178.3211 102 S 4.0014 7.4506 112.8980 61.0737 62.8694 176.1896 103 W 4.4949 7.8669 121.9915 58.9094 29.0441 177.1754 104 Y 4.6097 8.3090 114.8869 55.8459 39.4680 175.8362 105 T 3.4816 7.5619 110.5920 60.7588 69.9268 170.0633 106 L 4.5063 7.9311 123.6293 53.5729 43.6240 175.7032 107 M 3.9759 8.5823 125.6164 56.1272 33.1357 175.0915 108 E 4.0515 8.8399 126.6513 57.8951 30.2195 177.0859 109 G 3.9786 9.2269 113.7996 45.5031 0.0000 172.8401 110 Q 4.8803 7.6307 117.0138 53.9044 31.6243 174.7118 111 E 4.8374 9.0961 119.5247 53.5368 32.5606 174.6832 112 P 4.2595 0.0000 0.0000 63.4138 32.0630 177.0229 113 I 4.1578 7.5332 122.4269 59.7556 37.0717 172.7752 114 A 4.0189 7.7728 126.8273 50.3140 20.1824 176.4640 115 R 4.5750 8.6198 120.7897 54.3233 34.9892 174.3463 116 K 4.9989 8.3034 119.5360 54.6243 34.7651 176.4324 117 V 3.7364 8.6293 124.3464 63.0382 32.2517 175.4837 118 V 4.7150 8.2757 120.4337 59.4670 35.0280 174.9550 119 E 4.3370 8.5782 121.9892 55.3796 30.2244 175.9230 120 Q 4.5638 8.4374 124.5144 53.7979 31.8238 174.9156 121 G 3.8895 8.5986 114.3571 45.4805 0.0000 172.7506 122 M 4.7953 8.1476 119.4028 53.4005 34.2037 173.9736 123 F 4.5413 8.7683 124.0919 57.4285 40.4010 175.0288 124 V 4.2717 7.1806 119.5925 59.3386 35.4555 174.7372 125 K 4.2825 8.2762 120.3031 54.9864 33.5286 175.6578 126 H 5.0248 8.3341 120.8447 53.6965 31.3374 173.9515 127 C 4.3960 8.5061 121.4978 59.6331 28.6892 173.2797 128 K 4.6172 8.0785 121.4555 54.8929 35.2587 175.9351 129 V 3.6440 8.2392 120.9902 62.7570 31.7621 176.0190 130 E 4.2702 8.4924 128.9869 55.2128 28.2494 175.7012 131 V 3.5435 8.1570 124.8462 64.5172 32.0820 175.8675 132 Y 4.5908 7.7447 116.6946 56.5430 39.6543 175.5308 133 L 4.3220 9.0062 123.7466 54.9665 41.5711 173.6184 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 5 G 8.35 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 6 A 8.21 4.09 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 7 A 7.57 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.22 4.45 0.00 2.85 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 9 L 8.14 3.78 0.00 1.47 1.43 0.25 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.92 4.22 0.00 2.82 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 11 T 8.11 3.88 4.31 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 1.30 0.00 0.00 12 Q 7.90 3.73 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 13 R 8.17 4.11 0.00 1.73 1.99 0.00 2.75 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 14 S 8.23 4.11 0.00 3.94 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 15 D 8.77 4.50 0.00 3.19 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 16 I 8.39 3.98 2.59 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.15 1.09 0.00 0.00 17 A 8.60 4.45 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 18 T 8.09 4.07 4.50 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 1.28 0.00 0.00 19 L 8.20 4.07 0.00 1.77 1.68 0.96 0.47 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 20 L 8.39 4.31 0.00 2.04 1.96 1.35 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.91 4.51 0.00 2.00 1.94 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.78 7.81 22 T 7.52 4.08 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 1.33 0.00 0.00 23 S 8.63 4.44 0.00 3.95 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 24 L 8.33 4.17 0.00 1.53 1.46 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.42 4.65 0.00 2.02 1.81 0.00 3.35 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 26 K 8.70 4.13 0.00 1.71 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 27 G 9.20 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 0.00 0.00 0.00 0.00 28 D 7.96 4.67 0.00 3.01 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 29 T 8.39 4.96 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 0.81 0.00 0.00 30 W 9.26 5.01 0.00 3.05 3.07 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 31 Y 9.19 4.76 0.00 2.56 1.89 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 32 L 8.13 4.69 0.00 1.26 1.35 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.90 4.63 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 1.04 0.00 0.00 1.11 0.00 0.00 34 D 9.64 4.75 0.00 2.96 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 35 S 9.23 4.28 0.00 4.11 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 36 R 8.47 3.94 0.00 2.06 2.30 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 37 W 8.55 4.05 0.00 3.53 3.42 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 38 F 8.78 4.30 0.00 3.49 3.31 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 39 K 8.52 3.88 0.00 1.86 1.84 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.63 7.81 40 Q 7.80 3.74 0.00 2.13 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 41 W 7.36 3.54 0.00 1.80 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 42 K 7.76 3.19 0.00 1.75 1.55 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.63 1.08 7.81 43 K 7.62 3.62 0.00 1.80 1.68 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 44 Y 7.63 4.01 0.00 3.07 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 45 V 6.99 3.59 1.74 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 0.29 0.00 0.00 -0.24 0.00 0.00 46 G 7.13 3.55 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 0.00 0.00 0.00 47 F 8.09 3.79 0.00 2.50 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 48 D 7.37 4.51 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 3.95 0.00 3.96 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 50 W 6.99 4.65 0.00 3.60 3.27 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 51 D 7.46 4.58 0.00 2.63 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 0.00 0.00 0.00 0.00 52 K 7.46 4.23 0.00 1.72 1.93 0.00 1.39 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.29 7.81 53 Y 7.20 4.29 0.00 3.08 3.15 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 0.00 54 Q 7.18 4.52 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.07 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 55 M 7.36 4.01 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 56 G 8.22 3.51 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 0.00 57 D 8.11 4.60 0.00 2.80 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 58 Q 8.84 4.15 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 59 N 8.71 4.55 0.00 3.08 2.92 0.00 0.00 6.80 8.37 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 60 V 7.71 4.33 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 0.67 0.00 0.00 1.05 0.00 0.00 61 Y 7.72 3.32 0.00 2.87 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 62 P 0.00 3.76 0.00 1.00 1.30 0.00 2.64 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.08 0.00 63 G 6.13 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 0.00 0.00 0.00 64 P 0.00 4.92 0.00 1.99 2.04 0.00 3.90 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 65 I 8.16 2.00 1.37 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 -0.30 0.09 0.38 0.00 0.00 66 D 7.75 4.82 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 67 N 9.25 4.91 0.00 2.91 2.78 0.00 0.00 6.64 7.55 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 68 S 8.66 4.13 0.00 3.97 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 69 G 8.18 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 70 L 8.27 4.41 0.00 1.79 1.67 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.92 5.33 0.00 1.44 1.53 0.94 0.87 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 72 K 8.44 4.38 0.00 1.80 1.81 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.38 7.81 73 D 8.77 4.44 0.00 2.71 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 74 G 9.18 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 0.00 0.00 0.00 *76 A 8.69 4.10 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 77 Q 8.64 4.17 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 78 S 8.42 4.64 0.00 3.85 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.52 0.00 1.60 1.48 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.90 4.25 0.00 1.64 1.75 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.50 7.81 81 E 8.66 4.15 0.00 1.90 1.56 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 2.34 2.22 0.00 82 H 8.58 4.47 0.00 3.34 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.36 4.46 0.00 1.68 1.90 0.94 0.78 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 84 I 9.36 4.48 1.85 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 0.96 0.85 0.00 0.00 85 D 8.41 3.37 0.00 2.50 2.44 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 86 E 8.39 4.13 0.00 2.10 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 2.12 2.35 0.00 87 L 7.64 4.09 0.00 1.70 1.70 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.46 4.72 0.00 2.84 2.84 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 89 Y 7.05 5.56 0.00 3.16 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 90 I 9.15 4.76 1.70 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 1.12 0.90 0.00 0.00 91 L 8.47 5.51 0.00 1.66 2.00 0.90 1.03 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 92 L 8.96 5.02 0.00 1.66 1.48 0.89 0.76 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 93 P 0.00 3.47 0.00 1.65 0.71 0.00 3.42 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 94 T 8.35 3.97 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 1.25 0.00 0.00 95 E 8.13 3.94 0.00 1.95 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 2.30 2.31 0.00 96 G 7.77 3.42 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 97 W 8.08 3.99 0.00 3.04 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 98 N 8.23 3.88 0.00 2.58 2.63 0.00 0.00 7.11 7.20 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 99 K 7.48 3.00 0.00 1.28 0.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.04 1.28 7.81 100 L 7.11 4.02 0.00 1.30 1.42 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.03 3.13 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 0.85 0.00 0.00 -0.47 0.00 0.00 102 S 7.45 4.00 0.00 3.97 3.77 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 0.00 103 W 7.87 4.49 0.00 3.49 2.80 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 0.00 104 Y 8.31 4.61 0.00 3.21 3.34 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 0.00 105 T 7.56 3.48 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 1.23 0.00 0.00 106 L 7.93 4.51 0.00 1.53 1.56 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.58 3.98 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 108 E 8.84 4.05 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 2.31 2.34 0.00 109 G 9.23 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 0.00 0.00 0.00 110 Q 7.63 4.88 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 111 E 9.10 4.84 0.00 2.11 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 2.22 2.10 0.00 112 P 0.00 4.26 0.00 2.10 1.89 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 113 I 7.53 4.16 1.61 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 1.15 0.48 0.70 0.00 0.00 114 A 7.77 4.02 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 0.00 115 R 8.62 4.57 0.00 1.48 1.63 0.00 3.13 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 116 K 8.30 5.00 0.00 1.57 1.68 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.30 7.81 117 V 8.63 3.74 2.24 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 0.82 0.00 0.00 0.88 0.00 0.00 118 V 8.28 4.71 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 0.75 0.00 0.00 0.89 0.00 0.00 119 E 8.58 4.34 0.00 1.94 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 2.26 2.27 0.00 120 Q 8.44 4.56 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 121 G 8.60 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 0.00 122 M 8.15 4.80 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 123 F 8.77 4.54 0.00 2.97 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 0.00 124 V 7.18 4.27 1.93 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 0.72 0.00 0.00 0.56 0.00 0.00 125 K 8.28 4.28 0.00 1.65 1.66 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.35 7.81 126 H 8.33 5.02 0.00 3.02 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.51 4.40 0.00 2.94 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 0.00 128 K 8.08 4.62 0.00 1.80 1.72 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.42 7.81 129 V 8.24 3.64 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 0.75 0.00 0.00 0.92 0.00 0.00 130 E 8.49 4.27 0.00 1.97 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 2.28 2.31 0.00 131 V 8.16 3.54 1.93 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 0.31 0.00 0.00 0.85 0.00 0.00 132 Y 7.74 4.59 0.00 3.02 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 0.00 133 L 9.01 4.32 0.00 1.74 1.92 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.