NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0968 8.0244 114.2702 60.7174 39.5899 175.6410 4 Q 4.0229 7.8860 122.0375 52.8421 29.4664 173.6439 5 H 4.6137 8.6165 121.2675 55.8473 30.5714 173.8923 6 Q 4.6808 8.8794 115.8640 54.8264 28.8823 177.2591 7 F 4.3639 8.8754 121.8367 62.6108 39.7478 175.3836 8 A 3.7879 8.0195 119.8543 54.9701 18.2979 179.0325 9 E 3.8348 8.0364 117.3635 59.4793 29.7159 178.6925 10 N 4.2590 8.2131 116.6065 56.1952 38.5322 177.2417 11 L 3.6640 7.8903 122.1393 58.0266 42.0448 179.1737 12 S 4.0333 7.9544 115.2285 61.5668 62.6856 176.6810 13 R 3.9047 8.0201 121.4008 59.0931 29.8040 178.5538 14 L 3.8471 7.9611 119.1668 57.5228 41.5613 179.2283 15 K 3.9600 8.1405 119.7584 59.3659 32.2197 178.7510 16 K 3.9251 7.9840 119.6967 59.7692 32.0516 178.8325 17 E 4.0792 8.4372 117.3908 58.7823 29.4457 177.9767 18 H 4.7728 8.3058 114.1600 54.5177 29.3992 175.1726 19 G 3.9651 7.7173 108.3302 46.4624 0.0000 174.1698 20 L 4.5653 7.8805 118.5216 53.7252 42.9627 176.7242 21 K 4.6324 8.5757 120.2454 54.6242 34.4057 177.4458 22 N 4.2925 8.8047 119.4414 57.0478 38.3950 177.4157 23 H 4.4102 7.9858 117.0139 58.0133 28.6406 177.6728 24 Q 3.8972 7.6620 120.9535 58.9069 28.5401 178.5800 25 I 3.6205 7.6290 120.1730 64.1223 37.2016 178.1449 26 A 3.9906 8.2058 122.0470 55.2156 18.0730 179.5432 27 E 3.9051 8.3049 117.1284 59.4318 29.2969 179.2809 28 L 3.8709 7.5721 119.4010 57.5275 42.2266 178.1165 29 L 4.3968 7.7336 115.6180 53.3352 43.1459 175.8064 30 N 4.1442 7.6702 116.0118 54.6920 36.3531 172.7305 31 V 4.5684 7.6278 109.0189 59.0525 36.4425 176.2553 32 Q 4.1736 8.2036 119.0938 56.1088 29.1981 178.0379 33 T 3.8131 8.4327 117.4951 66.7674 68.4164 176.8757 34 R 3.5285 7.7656 120.1610 59.6177 30.0559 178.5828 35 T 3.6687 7.3749 115.0318 66.3918 68.1326 176.9059 36 V 3.2065 7.3089 118.6771 65.5692 31.6612 177.3059 37 A 4.0705 7.4590 119.7857 55.5802 18.4836 179.0219 38 Y 4.6798 7.3570 116.3365 60.5971 37.6784 178.2701 39 Y 5.0930 8.0189 116.2396 58.5422 37.5627 178.0289 *41 S 4.3475 8.1004 114.7234 57.1971 64.8538 175.1431 42 G 4.1236 8.0738 109.1151 46.0480 0.0000 174.5987 43 E 4.1460 8.1764 120.0925 58.6774 29.8486 176.9796 44 T 4.7867 7.7502 111.5453 60.5365 70.4754 172.1498 45 K 4.8659 8.4543 125.2801 53.7680 35.3513 174.4599 46 P 4.4788 0.0000 0.0000 62.1405 32.3977 176.1212 47 D 4.6137 8.1605 119.9113 52.3371 42.1084 176.9020 48 I 3.5630 8.1572 118.4704 64.4555 37.6998 177.3848 49 E 3.9592 8.1266 118.8203 59.3324 29.3914 179.3113 50 K 4.0644 8.3901 118.6038 59.2705 31.9958 179.4535 51 L 3.9350 7.8183 119.4437 57.8010 41.4600 179.6423 52 I 3.7397 7.9500 119.8655 64.3617 37.0383 178.7129 53 R 3.9639 8.1001 118.9939 59.2030 29.8867 179.1759 54 L 4.1346 8.1595 118.6160 57.8022 41.6275 179.3829 55 A 4.1856 8.4591 121.0875 55.4874 18.1651 179.9052 56 T 3.8611 8.1947 114.3829 66.8322 68.3158 176.3594 57 Y 3.7799 7.8529 120.3143 60.3155 38.9286 177.3491 58 F 4.4608 8.0580 114.9776 56.5224 40.2447 175.1195 59 H 4.1521 7.6720 115.0377 57.3813 26.3496 174.1866 60 L 5.0565 8.2171 117.5887 52.2403 45.5672 178.0802 61 S 4.4519 8.8430 116.0812 58.2836 65.0983 175.6321 62 I 3.7628 8.2595 123.6393 64.5259 36.8941 178.3791 63 D 4.5068 8.1450 119.3533 57.4748 40.6033 178.5139 64 E 3.9903 8.5989 119.2989 59.3976 29.3027 179.0069 65 L 4.0339 7.8461 118.8385 58.2004 42.4339 178.7607 66 V 4.3260 8.2223 110.1358 60.5862 31.8109 176.4578 67 G 3.9860 7.7768 106.8381 46.6972 0.0000 173.0676 68 Y 4.5112 8.0601 120.7406 56.2266 39.6617 174.8505 69 V 4.2511 7.4464 118.9290 59.5018 35.5598 174.3508 70 Q 4.4162 7.9685 119.5276 53.5378 31.8787 174.9637 71 E 5.0042 8.2537 119.7284 56.1322 31.9679 176.3672 *74 V 3.9482 8.3451 119.4492 60.7694 32.5844 175.4851 75 W 4.2142 8.9348 125.4961 56.4782 29.6323 176.3359 76 N 4.5094 8.9977 121.1125 55.4794 38.3659 174.8998 77 D 4.8693 8.1423 117.4906 51.8790 43.5323 175.8641 78 L 4.1588 8.5863 127.1800 57.1385 41.8585 179.2456 79 S 4.2974 8.3774 114.5443 61.1786 62.8137 176.6057 80 L 4.0961 7.6283 121.6312 57.5093 41.2985 179.1915 81 K 2.8943 7.3448 119.1254 58.9993 32.0127 178.5200 82 Q 3.8102 8.1763 120.2921 58.7354 28.7456 177.9440 83 W 4.0595 8.0305 128.4036 60.3253 31.0830 177.3486 84 L 3.6657 8.1385 120.2761 58.0012 41.5606 178.5719 85 L 3.8508 8.0238 120.8043 58.1681 41.9648 179.0694 86 S 4.1065 7.8964 113.7415 60.9512 62.7670 176.3117 87 L 3.8376 7.3072 122.5735 57.1737 41.0071 178.5361 88 N 4.4738 7.7914 115.3682 55.1573 38.5388 176.5508 89 L 4.1495 7.4730 119.5997 55.6582 42.1598 177.4932 90 R 4.1995 6.9635 118.0867 55.3155 31.0301 177.1169 91 S 4.3800 8.2454 115.4780 58.0723 65.1866 174.9777 92 E 3.9378 8.6314 122.7733 59.4586 29.2303 178.8624 93 E 3.9624 8.1074 118.3279 59.4369 29.5663 178.9813 94 E 4.0429 8.1892 118.4932 59.2839 29.4680 179.3887 95 I 3.7114 7.9686 119.8050 64.1891 37.1572 178.1793 96 A 3.9903 8.3346 122.0137 55.1900 18.1590 179.9121 97 K 3.9620 7.9142 116.7708 59.6230 32.0550 179.6803 98 I 3.7586 7.7976 120.1700 64.1941 36.9392 178.3068 99 K 3.9273 8.3393 120.6824 59.6797 31.9422 178.8735 100 I 3.7151 7.7563 119.9670 64.1174 37.0115 178.1332 101 L 3.9442 8.0694 121.1782 58.2582 41.9170 179.3183 102 V 3.6474 8.0791 118.3052 66.1000 31.4381 177.6036 103 D 4.3771 8.4607 119.0314 57.7004 40.6052 179.0001 104 T 3.8361 8.1568 116.2746 66.7175 68.4156 176.9485 105 V 3.6956 7.9128 120.0874 66.0875 31.3463 177.8726 106 E 4.0114 8.2916 117.6049 59.7399 29.3243 179.2261 107 T 4.0248 7.8767 115.2682 66.5433 68.5793 176.5635 108 L 3.9400 7.8608 120.1109 56.4342 42.9901 177.1780 109 Y 4.8283 7.7477 114.2662 55.3345 38.1336 173.5609 110 P 4.3381 0.0000 0.0000 62.9132 32.2397 176.8900 111 N 4.4061 8.9274 119.9209 53.7420 38.3674 174.7607 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 I 8.02 4.10 1.89 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 1.30 1.13 0.92 0.00 0.00 4 Q 7.89 4.02 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 5 H 8.62 4.61 0.00 3.65 3.44 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.88 4.68 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 7 F 8.88 4.36 0.00 3.13 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 8 A 8.02 3.79 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.04 3.83 0.00 2.02 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 0.00 2.34 2.37 0.00 10 N 8.21 4.26 0.00 2.93 2.77 0.00 0.00 6.69 6.25 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 11 L 7.89 3.66 0.00 0.83 1.16 0.92 0.98 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 12 S 7.95 4.03 0.00 4.02 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 13 R 8.02 3.90 0.00 1.84 1.84 0.00 3.06 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 14 L 7.96 3.85 0.00 1.48 0.85 0.35 0.47 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 15 K 8.14 3.96 0.00 1.89 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.47 7.81 16 K 7.98 3.93 0.00 1.87 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 17 E 8.44 4.08 0.00 2.00 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 2.33 2.54 0.00 18 H 8.31 4.77 0.00 3.44 3.53 0.00 5.79 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 19 G 7.72 3.97 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 0.00 0.00 0.00 20 L 7.88 4.57 0.00 1.74 1.63 1.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.58 4.63 0.00 1.55 1.65 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.51 7.81 22 N 8.80 4.29 0.00 2.69 2.83 0.00 0.00 6.72 8.16 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 23 H 7.99 4.41 0.00 3.31 3.54 0.00 5.62 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 24 Q 7.66 3.90 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 25 I 7.63 3.62 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 1.00 0.00 0.00 26 A 8.21 3.99 1.41 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 0.00 0.00 27 E 8.30 3.91 0.00 2.22 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 2.33 2.31 0.00 28 L 7.57 3.87 0.00 1.37 1.77 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.73 4.40 0.00 1.74 1.77 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.67 4.14 0.00 2.78 2.85 0.00 0.00 6.70 7.53 0.00 0.00 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 V 7.63 4.57 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 0.77 0.00 0.00 0.89 0.00 0.00 32 Q 8.20 4.17 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 33 T 8.43 3.81 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 1.16 0.00 0.00 34 R 7.77 3.53 0.00 1.68 1.88 0.00 3.18 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.20 0.00 35 T 7.37 3.67 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 0.76 0.00 0.00 36 V 7.31 3.21 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 0.86 0.00 0.00 0.88 0.00 0.00 37 A 7.46 4.07 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 38 Y 7.36 4.68 0.00 3.11 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 39 Y 8.02 5.09 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 *41 S 8.10 4.35 0.00 4.10 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 0.00 42 G 8.07 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 0.00 0.00 0.00 43 E 8.18 4.15 0.00 2.00 1.84 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 2.31 2.28 0.00 44 T 7.75 4.79 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 1.53 0.00 0.00 45 K 8.45 4.87 0.00 1.71 1.52 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.58 7.81 46 P 0.00 4.48 0.00 1.84 1.23 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.00 47 D 8.16 4.61 0.00 2.93 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 48 I 8.16 3.56 1.81 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 1.59 1.25 0.87 0.00 0.00 49 E 8.13 3.96 0.00 2.15 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 2.38 2.34 0.00 50 K 8.39 4.06 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.61 7.81 51 L 7.82 3.93 0.00 1.74 1.60 0.66 0.21 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 52 I 7.95 3.74 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 1.52 0.66 0.92 0.00 0.00 53 R 8.10 3.96 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 54 L 8.16 4.13 0.00 2.02 2.04 1.15 0.75 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 55 A 8.46 4.19 1.49 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 0.00 0.00 56 T 8.19 3.86 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 1.23 0.00 0.00 57 Y 7.85 3.78 0.00 2.85 2.74 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 F 8.06 4.46 0.00 3.27 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 59 H 7.67 4.15 0.00 3.29 3.35 0.00 5.59 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 60 L 8.22 5.06 0.00 1.67 1.60 0.95 0.76 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 61 S 8.84 4.45 0.00 4.10 4.03 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 62 I 8.26 3.76 1.87 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 1.64 0.71 0.86 0.00 0.00 63 D 8.15 4.51 0.00 2.85 2.87 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 64 E 8.60 3.99 0.00 2.19 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 2.36 2.36 0.00 65 L 7.85 4.03 0.00 1.80 1.99 1.07 1.07 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 66 V 8.22 4.33 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 0.62 0.00 0.00 1.06 0.00 0.00 67 G 7.78 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 0.00 0.00 0.00 68 Y 8.06 4.51 0.00 2.94 2.92 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 69 V 7.45 4.25 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 0.74 0.00 0.00 0.80 0.00 0.00 70 Q 7.97 4.42 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 71 E 8.25 5.00 0.00 1.89 1.82 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 2.04 2.09 0.00 *74 V 8.35 3.95 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 0.79 0.00 0.00 0.93 0.00 0.00 75 W 8.93 4.21 0.00 3.27 3.22 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 76 N 9.00 4.51 0.00 2.78 2.92 0.00 0.00 6.77 8.06 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 77 D 8.14 4.87 0.00 2.77 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 78 L 8.59 4.16 0.00 1.72 1.64 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.38 4.30 0.00 4.08 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 80 L 7.63 4.10 0.00 2.09 1.98 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.34 2.89 0.00 0.79 1.38 0.00 1.10 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.97 0.21 7.81 82 Q 8.18 3.81 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 83 W 8.03 4.06 0.00 3.31 3.43 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 0.00 84 L 8.14 3.67 0.00 2.07 1.72 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.02 3.85 0.00 1.70 1.77 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.90 4.11 0.00 3.98 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 87 L 7.31 3.84 0.00 1.57 1.52 0.44 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.79 4.47 0.00 2.77 2.82 0.00 0.00 7.03 7.77 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 89 L 7.47 4.15 0.00 1.74 1.67 0.86 0.91 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 90 R 6.96 4.20 0.00 1.77 1.82 0.00 3.29 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 91 S 8.25 4.38 0.00 4.03 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 92 E 8.63 3.94 0.00 2.04 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 2.37 2.40 0.00 93 E 8.11 3.96 0.00 2.09 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 2.46 0.00 94 E 8.19 4.04 0.00 2.13 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 2.32 2.49 0.00 95 I 7.97 3.71 1.98 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 1.61 0.89 0.90 0.00 0.00 96 A 8.33 3.99 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 97 K 7.91 3.96 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 98 I 7.80 3.76 2.04 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 0.79 1.01 0.00 0.00 99 K 8.34 3.93 0.00 1.83 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.51 7.81 100 I 7.76 3.72 2.03 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 1.42 0.57 0.92 0.00 0.00 101 L 8.07 3.94 0.00 1.87 1.91 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.08 3.65 2.14 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 1.11 0.00 0.00 1.07 0.00 0.00 103 D 8.46 4.38 0.00 2.78 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 0.00 104 T 8.16 3.84 4.45 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 1.22 0.00 0.00 105 V 7.91 3.70 2.16 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 1.27 0.00 0.00 1.08 0.00 0.00 106 E 8.29 4.01 0.00 2.13 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 2.39 2.56 0.00 107 T 7.88 4.02 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 1.17 0.00 0.00 108 L 7.86 3.94 0.00 1.11 0.68 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.75 4.83 0.00 3.04 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 0.00 110 P 0.00 4.34 0.00 2.06 2.04 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 111 N 8.93 4.41 0.00 2.71 2.79 0.00 0.00 7.02 7.56 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 * Residues marked with a * may have inaccurate shift predictions.