NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3192 8.3027 118.7961 55.9062 32.0753 177.4939 5 L 3.7217 7.9342 121.8520 57.8047 42.0185 175.3287 6 E 3.9387 8.9165 119.3422 59.5921 29.8880 178.3606 7 D 4.4124 8.1765 120.8389 58.0704 40.9910 179.6378 8 K 4.0780 8.2655 124.2921 59.5377 31.7276 181.5237 9 I 3.8917 7.8821 120.7934 64.4769 37.0678 178.5808 10 L 3.9856 8.6451 119.9367 57.6102 41.3256 179.4363 11 A 4.1932 8.0122 120.8438 55.3021 18.0959 179.8177 12 I 3.7881 7.4341 116.8144 64.5441 37.1114 178.4324 13 L 4.1324 8.0152 119.8681 57.7220 41.1472 179.3741 14 E 4.1993 8.4663 118.2656 58.5962 29.5146 178.2219 15 Q 4.4383 7.7045 115.2099 55.1615 29.5960 175.2266 16 H 4.9504 7.5906 115.9726 54.2950 32.6003 173.1826 17 Q 4.9157 8.8353 119.9582 54.5368 30.4816 174.6912 18 V 4.8653 7.9229 118.2397 61.2542 33.8974 174.6466 19 G 4.3425 8.9756 112.8922 45.4525 0.0000 170.5320 20 V 4.6870 8.9632 119.9388 61.0012 33.4663 174.2627 21 L 4.9539 9.1382 130.9990 54.0424 44.1081 174.9594 22 T 5.2099 9.0296 123.6053 61.9110 71.1721 173.5780 23 S 5.1183 8.9787 120.5503 56.3538 67.0204 172.7625 24 V 4.8535 8.3042 118.6546 61.2949 34.2294 175.1021 25 Q 4.5309 9.4158 129.2134 54.4910 30.4218 177.3554 26 G 3.9773 8.4318 117.9428 46.7783 0.0000 171.9851 27 D 4.6521 9.2873 122.2178 53.6009 41.3601 175.3928 28 F 4.7714 8.0837 120.0387 54.8907 40.8024 173.3158 29 P 5.0317 0.0000 0.0000 62.8795 32.7948 175.1898 30 H 4.9530 9.4832 118.6647 54.0750 31.9945 172.2180 31 A 5.3130 8.7302 124.9048 50.2965 21.3279 175.6883 32 R 4.7015 8.7461 119.6235 54.8166 35.0149 174.4043 33 Y 5.1920 8.4462 119.3868 57.2559 39.3751 175.0983 *35 T 4.4942 8.2161 117.3947 63.6360 70.0233 173.2754 36 F 5.0637 9.4400 124.6058 55.7942 42.0045 174.8670 37 L 5.0341 9.0828 123.9532 53.8682 44.1739 175.0962 38 H 5.4735 8.5761 114.7421 54.4167 32.2771 172.9184 39 D 4.5702 8.9954 118.8372 52.9314 42.9457 175.7317 40 G 3.9159 8.4408 118.8800 46.9075 0.0000 172.9956 41 L 4.3703 8.5265 123.7774 55.1971 42.2444 176.3882 42 T 4.3122 7.8604 117.8649 63.0915 69.6052 173.8749 43 L 5.2021 8.4742 125.9653 53.4603 44.7776 175.1433 44 Y 5.3881 9.0828 118.6834 56.7396 42.3793 174.3519 45 T 4.9740 9.3101 118.1863 59.4127 71.0152 171.3712 46 P 4.7061 0.0000 0.0000 63.4651 32.6619 174.9332 47 S 4.4963 8.5701 115.4682 57.8980 66.7381 172.6836 48 G 4.4185 8.3597 107.4490 43.9662 0.0000 174.7557 49 K 3.9781 8.8079 122.0379 58.9883 32.1806 178.0303 50 E 4.4610 7.9160 114.6915 56.1498 30.0933 176.6757 51 L 4.2418 7.5809 120.5881 53.6756 43.5914 175.9114 52 P 4.2363 0.0000 0.0000 65.8177 31.3754 179.2257 53 K 4.2364 7.8951 118.2319 59.6285 32.5883 179.3241 54 T 3.8242 7.7717 116.5928 66.5295 68.4283 176.1693 55 E 3.9764 8.0030 121.1071 58.9892 29.6893 178.6259 56 E 3.9343 8.4821 119.2032 59.5135 29.3753 179.4438 57 V 3.9512 7.3669 117.8936 65.5714 31.6112 177.8624 58 R 4.0432 7.7521 116.5911 59.0391 29.9773 178.5582 59 R 4.5621 7.6723 115.7978 56.3670 30.3801 176.2091 60 N 4.7243 8.3642 118.1376 51.5566 40.7250 172.5171 61 P 4.5642 0.0000 0.0000 64.4761 32.7742 175.4808 62 H 5.0036 8.3021 119.2438 55.7539 29.0406 175.2286 63 V 4.7959 8.7994 116.3851 59.5576 36.2393 174.1990 64 C 5.1871 8.9049 122.8299 57.6409 34.5044 172.6608 65 V 4.8421 9.0892 126.3750 61.0382 34.0258 173.9358 66 L 5.3245 8.3980 127.3697 53.0224 44.3387 175.3759 67 I 4.6637 8.9239 123.3913 60.7921 41.5446 175.1761 68 G 3.6138 9.2498 115.7859 45.3743 0.0000 173.2082 69 Y 4.0268 7.9909 121.6070 57.0730 37.9471 174.8714 70 D 4.4842 8.2070 127.6852 55.8086 42.1832 176.7641 71 S 4.4281 7.4801 111.6925 56.1428 66.0725 173.0858 72 P 4.5730 0.0000 0.0000 64.3626 30.9610 177.7322 73 G 3.9326 7.7212 104.5227 45.2839 0.0000 174.1243 74 S 4.1250 7.6517 117.0813 58.4224 63.2838 173.8421 75 A 4.7423 8.6959 126.9250 51.2553 19.4052 176.2651 76 F 5.0211 8.7626 115.9749 55.6429 42.5892 172.8447 77 L 5.1523 9.2465 118.3211 52.8794 44.7140 175.6017 78 E 4.9017 9.2366 124.3941 54.6050 32.0103 174.4844 79 I 4.9109 8.9560 128.6742 59.6375 40.2461 174.2618 80 N 5.2566 9.0698 125.3633 51.6064 41.0908 174.5483 81 G 4.3174 9.0113 109.9219 45.4601 0.0000 170.7292 82 L 5.3623 8.7487 119.2350 52.8637 43.8553 176.0287 83 A 5.3293 8.9829 126.6573 50.5761 21.1897 175.8575 84 S 4.6359 8.7533 114.2971 57.0753 67.2488 172.9018 85 L 4.8296 8.3001 120.8804 53.5883 42.3974 176.5115 86 E 4.1366 9.1979 126.6013 56.6897 29.6096 176.4207 87 E 4.4176 8.9345 124.9334 56.4828 31.3590 175.9169 88 D 4.5557 8.5470 119.9030 53.5212 41.9252 176.4600 89 E 4.0243 8.8116 127.9400 59.4119 29.5804 179.3943 90 S 4.1879 8.3113 114.5699 61.3796 63.0815 176.7150 91 I 3.6833 7.7630 123.0055 63.9203 36.9282 178.2606 92 K 4.0420 8.1920 119.4842 59.5330 31.8502 179.0571 93 E 4.0484 8.3054 119.6405 59.0250 29.5510 178.8005 94 R 3.7487 8.0106 118.8238 59.4985 30.1566 178.5077 95 I 3.6490 7.7757 119.5657 64.0666 37.0827 178.0568 96 W 3.8966 8.3695 129.1440 60.6584 30.2296 177.9286 97 E 2.7883 7.7522 117.0587 58.7419 28.7792 178.6381 98 N 4.2222 7.5214 116.4342 56.5945 39.1298 176.7732 99 I 3.7688 7.6600 120.7067 63.6222 37.3278 177.6594 100 S 2.7900 6.7487 113.2000 56.9730 62.3973 175.9854 101 K 3.4326 7.1289 124.2573 60.3546 32.3102 178.7107 102 D 4.1771 7.7619 118.1929 56.0828 40.8194 176.7059 103 W 5.0501 6.9837 111.8758 55.0703 29.6051 175.2247 104 F 3.9683 8.3270 123.7490 58.6764 38.8544 174.5751 105 Q 4.1607 7.9426 126.8440 55.8292 28.9204 176.0710 106 G 3.6190 5.7645 109.5446 46.5197 0.0000 175.2638 107 E 4.1950 7.3905 114.9701 55.7787 30.3968 180.6088 108 D 4.7456 8.3341 118.3797 52.4168 44.8552 174.8913 109 S 4.4244 7.3399 115.1622 55.4138 64.1181 172.7688 110 P 4.2986 0.0000 0.0000 65.0144 31.5219 177.1695 111 S 4.4556 7.8467 112.2394 58.2943 63.7596 173.2557 112 F 4.7505 7.6935 124.7608 58.6515 39.5896 174.6548 113 V 4.3833 7.9373 117.8688 59.7093 36.9252 174.0459 114 V 4.5023 7.9192 120.7854 61.2125 34.7779 174.1088 115 I 4.6754 8.9300 129.5665 60.3505 38.5598 174.5729 116 K 4.8137 9.3281 129.7873 55.0830 34.2378 175.1400 117 I 4.8777 8.8842 128.4150 59.5557 40.3939 174.6379 118 V 4.3686 8.5465 128.5475 60.7776 32.4974 173.4760 119 P 4.6589 0.0000 0.0000 62.8718 31.4001 176.1360 120 E 4.6006 9.2815 122.5839 57.2810 31.9801 176.7366 121 Q 4.6109 7.7800 117.1358 54.3401 33.5508 174.0662 122 I 4.9416 8.3643 123.3076 59.6483 40.6111 174.7582 123 R 4.6050 9.0553 126.5416 54.3323 32.9964 175.0226 124 I 4.5549 8.2538 124.3636 60.1957 38.2244 175.1443 125 L 4.3630 8.3507 127.4169 52.8842 44.4190 175.8575 126 N 4.3208 8.4259 116.6412 54.6113 37.5106 174.4126 127 S 4.2947 8.0691 115.6105 58.1859 63.3569 173.6039 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 4 E 8.30 4.32 0.00 2.25 2.27 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 2.26 1.88 0.00 5 L 7.93 3.72 0.00 1.84 1.69 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.92 3.94 0.00 2.01 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 2.40 2.35 0.00 7 D 8.18 4.41 0.00 2.86 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 8 K 8.27 4.08 0.00 1.76 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 I 7.88 3.89 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.88 0.00 0.00 10 L 8.65 3.99 0.00 1.78 1.73 0.94 1.16 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 11 A 8.01 4.19 1.40 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 0.00 0.00 12 I 7.43 3.79 2.01 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 1.56 0.75 0.93 0.00 0.00 13 L 8.02 4.13 0.00 1.65 1.38 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.47 4.20 0.00 2.03 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 0.00 2.43 2.60 0.00 15 Q 7.70 4.44 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 16 H 7.59 4.95 0.00 3.15 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.84 4.92 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.87 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 18 V 7.92 4.87 2.21 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 0.99 0.00 0.00 1.02 0.00 0.00 19 G 8.98 4.34 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 0.00 20 V 8.96 4.69 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 0.69 0.00 0.00 0.36 0.00 0.00 21 L 9.14 4.95 0.00 2.09 1.61 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.03 5.21 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 1.22 0.00 0.00 23 S 8.98 5.12 0.00 3.90 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 24 V 8.30 4.85 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 0.86 0.00 0.00 0.96 0.00 0.00 25 Q 9.42 4.53 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 26 G 8.43 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 27 D 9.29 4.65 0.00 2.26 2.40 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 28 F 8.08 4.77 0.00 3.22 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 29 P 0.00 5.03 0.00 2.08 2.04 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 30 H 9.48 4.95 0.00 3.04 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.73 5.31 1.13 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 32 R 8.75 4.70 0.00 1.75 1.80 0.00 3.13 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 33 Y 8.45 5.19 0.00 2.94 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 *35 T 8.22 4.49 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 36 F 9.44 5.06 0.00 2.96 3.01 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 37 L 9.08 5.03 0.00 1.77 1.67 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.58 5.47 0.00 3.36 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.00 4.57 0.00 2.91 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 40 G 8.44 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.53 4.37 0.00 1.64 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.86 4.31 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 43 L 8.47 5.20 0.00 1.62 1.75 0.68 0.51 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 44 Y 9.08 5.39 0.00 2.89 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 45 T 9.31 4.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 46 P 0.00 4.71 0.00 2.35 2.40 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 47 S 8.57 4.50 0.00 3.81 3.61 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 48 G 8.36 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 49 K 8.81 3.98 0.00 1.74 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.55 7.81 50 E 7.92 4.46 0.00 1.92 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 2.24 2.36 0.00 51 L 7.58 4.24 0.00 1.80 1.57 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.24 0.00 2.09 2.05 0.00 3.58 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 2.09 2.12 0.00 53 K 7.90 4.24 0.00 1.98 2.06 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.37 7.81 54 T 7.77 3.82 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 55 E 8.00 3.98 0.00 2.02 1.92 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 0.00 2.30 2.39 0.00 56 E 8.48 3.93 0.00 2.20 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 2.34 2.39 0.00 57 V 7.37 3.95 2.28 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 1.04 0.00 0.00 0.99 0.00 0.00 58 R 7.75 4.04 0.00 2.01 1.98 0.00 3.37 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 59 R 7.67 4.56 0.00 1.76 1.99 0.00 3.47 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 60 N 8.36 4.72 0.00 2.68 2.67 0.00 0.00 6.80 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 61 P 0.00 4.56 0.00 2.06 2.22 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 62 H 8.30 5.00 0.00 3.14 3.31 0.00 5.79 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 63 V 8.80 4.80 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 0.72 0.00 0.00 1.02 0.00 0.00 64 C 8.90 5.19 0.00 2.97 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 65 V 9.09 4.84 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 0.24 0.00 0.00 0.83 0.00 0.00 66 L 8.40 5.32 0.00 1.57 1.52 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.92 4.66 1.68 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.65 0.82 0.00 0.00 68 G 9.25 3.61 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 0.00 0.00 0.00 69 Y 7.99 4.03 0.00 2.40 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 70 D 8.21 4.48 0.00 2.61 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 71 S 7.48 4.43 0.00 3.85 3.83 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 72 P 0.00 4.57 0.00 2.09 2.26 0.00 3.67 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 2.06 2.14 0.00 73 G 7.72 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 74 S 7.65 4.12 0.00 3.71 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 75 A 8.70 4.74 1.20 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 76 F 8.76 5.02 0.00 3.31 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 77 L 9.25 5.15 0.00 1.57 1.54 0.95 0.70 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 78 E 9.24 4.90 0.00 2.02 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 2.18 2.26 0.00 79 I 8.96 4.91 1.78 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 1.17 0.76 0.86 0.00 0.00 80 N 9.07 5.26 0.00 2.81 2.71 0.00 0.00 6.21 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 81 G 9.01 4.32 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 0.00 82 L 8.75 5.36 0.00 1.58 1.54 0.98 0.68 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 83 A 8.98 5.33 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 84 S 8.75 4.64 0.00 3.87 3.92 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 0.00 0.00 0.00 0.00 85 L 8.30 4.83 0.00 1.54 1.63 0.90 0.91 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 86 E 9.20 4.14 0.00 2.06 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 2.33 2.36 0.00 87 E 8.93 4.42 0.00 1.99 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 2.22 2.47 0.00 88 D 8.55 4.56 0.00 2.73 2.70 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 89 E 8.81 4.02 0.00 2.02 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 2.31 0.00 90 S 8.31 4.19 0.00 4.06 4.12 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 91 I 7.76 3.68 1.94 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 1.56 0.83 0.52 0.00 0.00 92 K 8.19 4.04 0.00 2.00 1.99 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 93 E 8.31 4.05 0.00 2.19 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 2.34 2.45 0.00 94 R 8.01 3.75 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 95 I 7.78 3.65 2.13 0.00 0.00 0.69 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 0.54 1.11 0.00 0.00 96 W 8.37 3.90 0.00 3.01 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 97 E 7.75 2.79 0.00 1.77 1.40 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 1.47 1.91 0.00 98 N 7.52 4.22 0.00 2.59 2.85 0.00 0.00 7.26 7.67 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 99 I 7.66 3.77 1.75 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 1.81 1.10 0.93 0.00 0.00 100 S 6.75 2.79 0.00 2.72 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 0.00 101 K 7.13 3.43 0.00 1.76 2.02 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.32 7.81 102 D 7.76 4.18 0.00 2.95 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 0.00 103 W 6.98 5.05 0.00 3.10 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 0.00 104 F 8.33 3.97 0.00 2.23 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 0.00 105 Q 7.94 4.16 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.22 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 106 G 5.76 3.62 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 0.00 0.00 0.00 107 E 7.39 4.20 0.00 2.00 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 0.00 2.23 1.86 0.00 108 D 8.33 4.75 0.00 2.55 2.39 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 0.00 109 S 7.34 4.42 0.00 3.32 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 0.00 110 P 0.00 4.30 0.00 2.19 2.13 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 111 S 7.85 4.46 0.00 4.03 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 0.00 112 F 7.69 4.75 0.00 2.69 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 0.00 113 V 7.94 4.38 1.94 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 0.60 0.00 0.00 0.75 0.00 0.00 114 V 7.92 4.50 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 1.16 0.00 0.00 0.84 0.00 0.00 115 I 8.93 4.68 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.36 0.94 0.00 0.00 116 K 9.33 4.81 0.00 1.95 1.81 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.12 7.81 117 I 8.88 4.88 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.90 0.00 0.00 118 V 8.55 4.37 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 0.93 0.00 0.00 0.89 0.00 0.00 119 P 0.00 4.66 0.00 1.95 1.93 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 120 E 9.28 4.60 0.00 1.88 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 2.24 2.40 0.00 121 Q 7.78 4.61 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 122 I 8.36 4.94 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.87 0.00 0.00 123 R 9.06 4.60 0.00 1.63 1.71 0.00 3.06 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 124 I 8.25 4.55 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.86 0.00 0.00 125 L 8.35 4.36 0.00 0.27 1.04 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.43 4.32 0.00 3.13 3.10 0.00 0.00 6.74 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 0.00 127 S 8.07 4.29 0.00 3.98 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 0.00 * Residues marked with a * may have inaccurate shift predictions.