NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3662 0.0000 0.0000 62.6616 32.6713 174.7900 3 R 4.3655 8.2842 118.4666 53.9947 31.8443 174.2108 4 A 4.6102 8.0389 127.8017 49.6573 19.9758 175.2050 5 K 4.2432 8.1053 119.6170 56.5842 34.0499 178.1654 6 T 4.0119 8.9213 117.9892 66.8864 69.4719 175.4997 7 G 3.8556 7.7047 108.1678 46.6009 0.0000 176.3840 8 V 3.7256 8.3592 123.5700 63.9612 32.0508 178.2362 9 V 3.5701 7.7079 120.5137 66.0502 31.1853 178.0378 10 R 3.8078 7.8615 117.5178 59.3367 30.0652 177.7731 11 R 3.7911 7.9688 118.1737 59.7963 29.9365 178.1649 12 R 3.9080 7.6258 116.6050 59.3614 29.7400 179.2469 13 K 4.0264 7.9169 117.6658 59.6663 31.8796 179.2830 14 H 4.2597 8.3855 116.8353 58.5940 28.7445 177.5957 15 K 3.8430 8.3211 121.0664 60.2239 31.8856 178.6263 16 K 3.7920 7.6792 118.3435 59.4942 32.3665 178.7794 17 I 3.8246 7.4624 118.8647 64.4572 37.1140 178.4148 18 L 3.9520 8.1554 120.0843 57.9692 40.9419 179.7943 19 K 3.9360 8.6125 118.4882 59.4577 31.7124 179.2488 20 L 4.0644 7.7835 118.0418 56.7482 41.7476 178.1359 21 A 3.8584 7.5626 119.3506 50.5742 18.8061 176.9469 22 K 3.8724 6.7071 118.3672 57.8185 32.4334 177.2770 23 G 4.0539 8.8132 111.3546 45.8179 0.0000 173.5880 24 Y 4.7286 7.0961 116.6732 57.2824 38.8121 175.0365 25 W 4.3634 8.9380 131.4718 58.2523 32.7828 176.1897 26 G 3.6714 7.7396 113.8095 46.3212 0.0000 176.7415 27 L 4.1076 8.6257 122.6506 57.2936 41.8082 178.9831 28 R 4.1158 8.4251 117.8151 58.0145 30.0186 177.6957 29 S 4.8607 8.0928 110.1839 57.6552 63.9344 174.5015 30 K 4.3150 7.9534 118.9941 56.2603 33.9752 175.6215 31 S 4.5345 8.3644 116.9877 56.8586 62.7409 174.9159 *32 F 4.0935 8.6523 125.3017 57.5520 38.2696 171.8104 33 R 4.7037 10.6400 117.1031 57.0398 35.7135 177.5300 34 K 4.0028 8.0345 118.9561 58.8686 31.8553 178.7579 35 A 4.7130 8.0059 122.2106 54.6605 18.0068 179.1733 36 R 3.5049 7.7473 114.8158 59.6340 30.4489 177.9229 37 E 3.9120 7.7444 117.5109 59.7244 29.4899 179.4475 38 T 3.7756 7.9677 115.7168 66.7378 68.4318 176.4716 39 L 4.0721 8.1623 121.1182 57.8708 41.6827 179.7932 40 F 4.4212 7.6389 116.9700 60.5011 38.8153 177.2703 41 A 3.6651 8.1127 119.6886 55.1250 18.0249 179.3231 42 A 4.0478 7.9998 119.0479 55.3078 18.6528 179.7150 43 G 3.8533 8.3590 104.6523 48.3872 0.0000 175.5589 44 N 4.3716 7.9660 118.5014 56.2620 38.5545 177.0627 45 Y 4.1073 7.8623 118.0925 61.0835 37.8036 178.8980 46 A 4.0392 8.3700 121.6363 55.3282 18.1181 178.9254 47 Y 3.9704 7.9837 117.3513 60.9267 38.9355 178.0633 48 A 3.9673 9.0547 122.3561 55.6399 18.5208 178.9750 49 H 4.5581 8.4648 113.8488 57.7780 28.8821 177.7652 50 R 3.9900 8.6872 120.4618 58.4949 30.1993 177.9254 51 K 4.1852 7.3363 117.7645 58.6422 32.7202 178.6839 52 R 3.8908 7.9080 118.3292 59.6753 29.9942 178.8128 53 R 3.9517 8.0685 118.0262 59.4593 29.9223 178.7231 54 K 4.0482 8.0546 118.1711 59.1264 31.9686 179.3205 55 R 3.9826 7.7497 115.8358 58.7144 30.0033 177.9361 56 D 4.1708 8.3397 120.0727 57.4895 40.8471 179.2935 57 F 3.4353 8.0383 117.4954 60.7174 38.6997 177.8971 58 R 3.8449 7.1308 117.2094 59.6508 29.7987 178.9114 59 R 3.8303 7.9856 117.4567 59.2580 30.1204 178.8477 60 L 3.8516 7.4198 118.1479 58.0258 41.5798 179.1116 61 W 4.6809 7.9345 117.7980 60.6008 29.1157 178.2312 62 I 3.7248 8.5048 119.0914 65.0808 36.8667 178.2603 63 V 3.5854 8.0366 118.4102 66.5682 31.4080 177.8992 64 R 3.9378 8.6064 117.6868 59.5122 29.8418 178.7011 65 I 3.8162 8.5116 119.3426 64.9272 37.2309 177.9027 66 N 4.5422 9.0967 117.6188 56.9436 38.1507 176.7088 67 A 4.0289 8.0785 121.4482 54.9892 18.4407 179.1022 68 A 3.7706 7.7834 116.5954 53.5725 18.5574 178.1415 69 C 4.8564 7.9135 111.3381 58.0085 31.0028 175.7746 70 R 4.2977 7.7983 122.8625 58.4730 29.3928 177.8658 71 Q 3.9826 7.4831 118.6437 58.6171 28.9953 175.9521 72 H 4.8282 7.5583 115.6595 55.3259 29.5453 174.8756 73 G 3.8225 8.0008 107.2612 44.2226 0.0000 173.4103 74 L 4.4150 7.2139 119.3435 53.9965 42.9465 174.2057 75 N 4.3770 8.2904 116.9111 53.9954 40.3729 175.4581 76 Y 4.2571 8.9450 124.2153 61.0910 38.9223 178.8010 77 S 4.2950 8.4499 115.4919 62.1691 62.9976 176.7127 78 T 3.8846 7.9446 117.3450 66.7951 68.3410 175.8013 79 F 4.3515 8.4402 122.5724 61.9377 39.2415 176.9878 80 I 3.1058 8.0382 119.2015 64.7949 36.8657 177.9054 81 H 4.2343 8.3029 118.7856 59.0205 29.3965 177.3893 82 G 3.5545 8.0390 108.1208 47.2799 0.0000 175.1881 83 L 4.0130 7.7228 122.4156 57.4570 41.4427 179.3623 84 K 3.8240 7.8054 117.8110 59.3684 32.3181 180.1858 85 K 4.2957 8.2595 120.6119 55.7563 32.5134 177.1658 86 A 4.5591 7.9671 118.8292 51.5466 24.4187 177.9237 87 G 4.0075 8.2082 104.0781 45.8747 0.0000 174.9104 88 I 4.0836 7.5016 114.4488 58.1184 36.2033 175.5841 89 E 3.8983 8.1729 126.9364 59.5857 30.5453 179.4541 90 V 3.7816 7.3440 117.7948 63.0903 31.4320 176.6504 91 D 3.7099 9.4936 113.2411 51.5032 42.6361 170.5943 92 R 3.7630 8.0124 121.4842 55.2695 32.2507 176.5724 93 K 3.9983 9.0351 124.4545 59.8376 32.3060 177.1787 94 N 2.0000 7.3814 115.0786 55.3831 38.6591 174.9389 95 L 4.2655 8.6606 115.8802 54.4318 42.5530 176.5664 96 A 4.8830 7.6522 123.8219 51.6894 17.6897 178.6990 97 D 4.5636 7.6200 122.7330 55.2434 40.2247 177.9160 98 L 3.9825 7.5826 119.7214 58.1320 41.6876 178.8872 99 A 3.5083 7.9312 119.0870 54.7340 18.1738 178.2458 100 V 3.9206 7.6933 115.8755 64.8140 32.4607 177.9212 101 R 4.0254 8.0547 117.6188 56.8367 30.9447 178.9474 102 E 3.7808 7.6019 113.1043 57.4905 25.0158 175.0098 103 P 4.6548 0.0000 0.0000 63.1626 32.2297 177.8116 104 Q 3.9839 7.8875 119.0056 59.1969 28.8584 177.8251 105 V 3.5901 7.9204 118.8530 66.3350 31.3383 177.7318 106 F 4.1087 7.8710 119.5369 60.9936 39.2324 176.7929 107 A 3.9179 8.0875 120.5465 56.0075 18.0972 178.6302 108 E 3.8207 9.0987 116.9574 59.0841 29.2360 180.2386 109 L 3.7240 8.1943 118.3748 57.6073 41.9042 179.9260 110 V 2.9800 7.5781 118.6438 65.8263 31.5026 177.6748 111 E 3.8507 8.0275 118.1247 59.6297 29.3866 179.4103 112 R 3.8685 8.1369 117.9032 59.6151 29.9018 178.8743 113 A 4.0587 7.7071 120.2664 54.8447 18.3320 179.6330 114 K 4.1305 8.1419 115.6281 59.1467 32.8945 179.0565 115 A 4.0607 8.4409 123.0732 55.1619 18.2518 179.1074 116 A 4.2459 7.9731 116.9360 53.1856 19.7299 177.9307 117 Q 4.5033 7.5116 116.3132 53.5218 28.8717 175.9713 118 G 3.7429 8.0322 109.4810 45.3889 0.0000 171.2707 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 2 P 0.00 4.37 0.00 2.17 2.14 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 3 R 8.28 4.37 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 4 A 8.04 4.61 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 5 K 8.11 4.24 0.00 1.87 1.82 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 6 T 8.92 4.01 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 1.19 0.00 0.00 7 G 7.70 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 8 V 8.36 3.73 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 0.77 0.00 0.00 0.92 0.00 0.00 9 V 7.71 3.57 2.23 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 0.98 0.00 0.00 0.93 0.00 0.00 10 R 7.86 3.81 0.00 1.88 1.82 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 11 R 7.97 3.79 0.00 1.87 1.92 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 12 R 7.63 3.91 0.00 2.12 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 13 K 7.92 4.03 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 14 H 8.39 4.26 0.00 3.36 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.32 3.84 0.00 1.95 2.09 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.69 7.81 16 K 7.68 3.79 0.00 2.09 1.95 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.52 7.81 17 I 7.46 3.82 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.11 0.84 0.00 0.00 18 L 8.16 3.95 0.00 1.81 1.70 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.61 3.94 0.00 1.87 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.68 7.81 20 L 7.78 4.06 0.00 1.83 1.70 0.92 0.64 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 21 A 7.56 3.86 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 22 K 6.71 3.87 0.00 1.65 1.67 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.46 7.81 23 G 8.81 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 0.00 0.00 0.00 0.00 24 Y 7.10 4.73 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.94 4.36 0.00 3.55 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 26 G 7.74 3.67 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 0.00 0.00 0.00 27 L 8.63 4.11 0.00 1.78 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.43 4.12 0.00 2.30 2.15 0.00 3.12 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 29 S 8.09 4.86 0.00 3.93 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 0.00 30 K 7.95 4.31 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.29 7.81 31 S 8.36 4.53 0.00 3.82 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 *32 F 8.65 4.09 0.00 2.33 2.19 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 33 R 10.64 4.70 0.00 1.90 2.08 0.00 2.74 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 34 K 8.03 4.00 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.62 7.81 35 A 8.01 4.71 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.50 0.00 1.61 1.93 0.00 3.19 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.07 0.00 37 E 7.74 3.91 0.00 2.19 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 2.44 0.00 38 T 7.97 3.78 4.40 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 0.57 0.00 0.00 39 L 8.16 4.07 0.00 1.67 1.69 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.64 4.42 0.00 3.20 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 41 A 8.11 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.00 4.05 1.47 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 43 G 8.36 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 44 N 7.97 4.37 0.00 2.77 2.80 0.00 0.00 7.07 6.94 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 45 Y 7.86 4.11 0.00 3.09 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 46 A 8.37 4.04 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.98 3.97 0.00 3.16 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 48 A 9.05 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.46 4.56 0.00 3.31 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.69 3.99 0.00 2.03 1.84 0.00 3.19 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 51 K 7.34 4.19 0.00 1.81 1.75 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.16 1.25 7.81 52 R 7.91 3.89 0.00 1.89 1.95 0.00 3.21 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 53 R 8.07 3.95 0.00 2.04 2.11 0.00 3.24 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 54 K 8.05 4.05 0.00 2.04 1.87 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 55 R 7.75 3.98 0.00 1.97 2.14 0.00 2.98 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 56 D 8.34 4.17 0.00 2.64 2.35 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 0.00 57 F 8.04 3.44 0.00 2.51 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 58 R 7.13 3.84 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 59 R 7.99 3.83 0.00 1.86 1.87 0.00 3.04 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 60 L 7.42 3.85 0.00 1.54 1.66 0.50 0.63 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 61 W 7.93 4.68 0.00 3.74 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 62 I 8.50 3.72 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.38 0.00 0.00 63 V 8.04 3.59 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 64 R 8.61 3.94 0.00 2.14 2.02 0.00 3.45 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 65 I 8.51 3.82 2.42 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 1.47 0.00 0.00 66 N 9.10 4.54 0.00 2.98 2.91 0.00 0.00 7.21 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 67 A 8.08 4.03 1.42 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 68 A 7.78 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.91 4.86 0.00 2.95 3.63 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 70 R 7.80 4.30 0.00 2.10 1.99 0.00 3.18 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 1.66 1.71 0.00 71 Q 7.48 3.98 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.19 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 72 H 7.56 4.83 0.00 3.12 3.22 0.00 5.86 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 73 G 8.00 3.82 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 0.00 0.00 0.00 74 L 7.21 4.41 0.00 1.88 1.75 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.29 4.38 0.00 2.91 3.02 0.00 0.00 6.46 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 76 Y 8.95 4.26 0.00 3.33 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 77 S 8.45 4.29 0.00 3.98 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 78 T 7.94 3.88 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 1.27 0.00 0.00 79 F 8.44 4.35 0.00 3.03 3.14 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 80 I 8.04 3.11 1.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.36 0.74 0.00 0.00 81 H 8.30 4.23 0.00 3.23 3.45 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.04 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 83 L 7.72 4.01 0.00 1.77 1.55 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.81 3.82 0.00 1.67 1.99 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 85 K 8.26 4.30 0.00 1.59 1.69 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 86 A 7.97 4.56 1.31 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 0.00 0.00 87 G 8.21 4.01 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 0.00 88 I 7.50 4.08 1.82 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 1.21 0.58 0.88 0.00 0.00 89 E 8.17 3.90 0.00 1.90 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 2.29 2.38 0.00 90 V 7.34 3.78 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 0.76 0.00 0.00 0.87 0.00 0.00 91 D 9.49 3.71 0.00 2.70 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 92 R 8.01 3.76 0.00 1.99 1.78 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 93 K 9.04 4.00 0.00 2.06 2.25 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.79 7.81 94 N 7.38 2.00 0.00 1.45 2.29 0.00 0.00 6.90 7.78 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 95 L 8.66 4.27 0.00 1.98 1.58 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.65 4.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 4.56 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.58 3.98 0.00 1.84 1.98 0.99 1.05 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 99 A 7.93 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.69 3.92 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 0.89 0.00 0.00 0.91 0.00 0.00 101 R 8.05 4.03 0.00 1.85 1.90 0.00 3.44 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 102 E 7.60 3.78 0.00 2.09 2.17 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 2.38 2.29 0.00 103 P 0.00 4.65 0.00 2.30 2.27 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 104 Q 7.89 3.98 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 105 V 7.92 3.59 2.31 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 1.07 0.00 0.00 0.96 0.00 0.00 106 F 7.87 4.11 0.00 3.25 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 0.00 107 A 8.09 3.92 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 0.00 108 E 9.10 3.82 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 109 L 8.19 3.72 0.00 1.81 1.63 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.58 2.98 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 0.89 0.00 0.00 0.20 0.00 0.00 111 E 8.03 3.85 0.00 2.07 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 0.00 2.39 2.45 0.00 112 R 8.14 3.87 0.00 1.89 2.00 0.00 3.26 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 1.63 1.80 0.00 113 A 7.71 4.06 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 0.00 0.00 114 K 8.14 4.13 0.00 1.90 1.94 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.41 7.81 115 A 8.44 4.06 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 0.00 116 A 7.97 4.25 1.32 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 0.00 117 Q 7.51 4.50 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 118 G 8.03 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.