NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9075 8.0249 114.1850 59.8850 39.6257 175.7726 3 W 4.6454 7.1818 121.1066 56.3161 29.5251 174.5020 4 K 4.6077 10.1940 120.5480 56.0487 33.9236 176.2052 5 R 4.4893 7.8745 117.7912 54.1811 32.8439 175.5494 6 K 4.3081 8.4887 122.4937 54.7979 31.4117 175.0915 7 I 4.4646 7.6122 122.7799 58.1001 40.9452 175.8921 8 T 4.1294 8.2013 117.8953 61.2013 70.8298 175.4898 9 L 3.8743 8.2418 121.2085 57.7206 41.6572 179.0527 10 E 3.8852 8.2741 118.6360 59.6109 29.2430 178.8291 11 A 4.0117 7.5517 118.5433 54.9636 18.4545 179.2755 12 L 3.9139 7.5073 116.8268 58.0872 41.7294 179.2598 13 N 4.6859 8.2688 115.1556 55.8253 38.8366 178.0659 14 A 4.2236 7.9483 121.7488 52.1450 18.5450 179.2162 *16 G 4.0064 8.1516 110.6861 46.0176 0.0000 173.7199 17 E 4.3209 7.8893 119.9898 57.5172 29.8923 177.3787 18 G 4.1362 9.6189 111.8042 45.0072 0.0000 173.0695 19 N 4.7450 8.1887 112.8388 53.5162 37.4466 176.3220 *21 V 4.0117 9.0717 116.3017 62.4401 34.3743 176.6679 22 G 3.5891 8.1990 108.6960 48.3965 0.0000 175.2826 23 F 4.1792 8.2897 121.7108 60.9465 39.2991 175.7386 24 L 4.1016 7.9166 116.5618 53.8166 41.7765 175.5465 25 D 4.3024 7.7840 117.2118 55.1375 39.9687 173.6113 26 I 4.1092 7.8707 118.8501 60.8945 37.9617 176.4302 27 R 4.7598 8.6716 126.1829 54.1289 33.2929 175.0085 28 F 4.5629 9.4994 124.0383 57.5960 39.2182 175.3052 29 E 4.7518 9.0436 121.2009 56.2306 31.5840 175.5766 30 H 4.7052 7.8937 117.7794 55.3191 33.5635 172.3865 31 I 4.6135 8.3461 126.1651 59.6313 39.1671 175.0368 32 G 4.3509 9.0364 117.5862 44.1854 0.0000 172.1091 33 D 4.6605 8.8372 118.2645 57.4284 40.9102 177.4137 34 D 4.4717 7.7844 117.2634 52.7318 39.7099 175.4620 35 T 5.3090 8.4814 113.8835 63.1298 73.6412 172.6026 36 L 5.3363 9.2928 125.5499 53.5527 45.7580 175.0529 37 E 5.8671 9.7676 124.0059 53.7885 33.9821 174.5168 38 A 4.9437 8.4120 122.7726 51.0948 23.0988 175.5816 39 T 5.4248 8.6317 111.0662 58.5641 72.1699 171.2218 *41 P 4.3984 0.0000 0.0000 63.4688 32.6822 176.9997 42 V 4.2453 8.5045 122.4893 61.6650 31.1464 174.3516 43 D 4.7563 8.5072 127.4482 51.8727 42.2920 175.8342 44 S 4.0675 9.0312 111.2747 61.9576 62.7666 175.2749 45 R 4.2286 7.8647 117.3777 56.8523 30.2999 176.7302 46 T 4.5826 8.0306 106.7238 60.7744 69.9943 173.5416 47 K 4.8557 7.8033 121.0974 55.1046 34.1610 175.9816 48 Q 4.3669 8.7861 120.2419 54.3983 29.9497 174.9486 49 P 4.1732 0.0000 0.0000 64.1954 31.0423 177.1452 50 F 4.9266 7.8722 115.7347 57.0931 39.5900 176.2194 51 G 3.9874 8.2923 109.1340 45.0181 0.0000 173.9130 52 L 4.8000 7.4192 119.2969 52.8153 44.2165 175.6982 53 L 4.3882 8.6432 124.6918 55.5317 42.7805 176.2330 54 H 4.2209 9.6533 127.4332 55.8864 30.2501 176.2905 55 G 3.7404 9.1344 112.9100 48.0540 0.0000 175.6762 56 G 3.6224 8.5438 107.0934 47.5705 0.0000 175.5964 57 A 4.0235 8.2711 123.3564 55.1275 18.3626 179.9014 58 S 4.0569 8.0584 113.3004 61.7091 62.8499 176.9338 59 V 3.6316 7.5749 121.1220 65.6747 31.1889 178.2796 60 V 3.5635 7.8739 118.2406 65.7973 31.3904 177.6960 61 L 3.8414 8.2186 120.1189 58.0353 41.8625 178.7573 62 A 3.9534 8.0570 120.5670 55.3455 18.3202 179.2762 63 E 3.8877 8.5171 118.1185 59.3337 29.6568 179.2126 64 S 4.1317 8.2667 115.3739 61.6675 62.9179 176.7411 65 I 4.0261 7.8550 122.5006 64.4309 36.8193 178.7677 66 G 3.3277 8.2413 106.9526 47.7067 0.0000 175.8985 67 S 4.1271 8.3076 117.0652 61.2263 63.0385 177.0576 68 V 3.6085 7.7933 115.8398 63.8478 31.0116 178.4204 69 A 3.9040 7.7026 119.9967 54.9505 18.4336 179.5732 70 G 4.1023 7.7324 104.6133 48.1765 0.0000 175.1051 71 Y 4.2783 8.3905 122.5315 60.5848 38.8341 178.2356 72 L 3.8973 8.4822 119.3198 56.7763 41.4338 178.0148 73 C 4.7937 8.0676 115.5538 59.7108 28.8540 172.7160 74 T 4.7232 7.7292 111.6738 59.7444 71.3524 172.7800 75 E 4.6506 8.0796 117.0249 55.4768 33.5128 177.7380 76 G 3.8346 8.2779 109.3633 46.8306 0.0000 176.9232 77 E 4.1303 8.9536 123.7932 58.4599 29.4718 177.1009 78 Q 4.4941 7.6746 117.5682 56.1149 29.4961 175.6772 79 K 4.9405 9.5004 122.8011 54.8317 36.6771 174.6612 80 V 5.0125 8.4816 122.0947 61.0073 34.2005 174.6517 81 V 4.4655 8.6519 126.8131 60.8046 34.7686 174.5610 82 G 3.9707 8.8310 115.2405 46.6105 0.0000 172.8985 83 L 4.6048 9.1085 126.5012 56.4034 43.1589 177.1159 84 E 4.7702 7.9445 118.3452 54.5295 33.2776 173.7672 85 I 5.2974 8.3855 125.6857 59.3612 41.4143 173.7262 86 N 5.2491 9.0761 124.8577 51.3584 40.9305 173.0635 87 A 5.0257 8.4687 121.2565 50.6293 22.8497 174.9152 88 N 4.8250 9.0286 118.9134 51.7665 41.2380 173.5962 89 H 4.8086 8.7699 121.6282 55.1763 29.0493 175.3012 90 V 4.3276 8.5683 117.0157 61.8782 33.4211 176.6567 91 R 4.5629 7.6979 119.3799 54.9675 32.9361 173.8363 92 S 4.5691 8.5320 119.0736 57.1169 65.0086 173.0795 93 A 4.8491 8.2248 123.7615 50.6916 21.1851 177.4280 94 R 4.8193 8.2543 117.5913 56.3505 32.5151 175.2249 95 E 4.5835 8.1536 113.3709 56.0951 32.8916 176.6795 96 G 3.7715 8.3704 105.9340 46.4112 0.0000 173.3937 97 R 4.8762 8.4123 121.8023 54.3459 34.1654 174.7189 98 V 4.6590 8.0337 112.6888 59.7415 35.2442 174.5273 99 R 4.9928 8.9552 122.7865 54.6251 33.1310 174.2372 100 G 4.3166 9.3584 114.0991 44.7273 0.0000 172.5082 101 V 4.6081 9.4418 125.7585 61.3293 34.1676 173.5147 102 C 5.3522 9.3885 129.7626 57.7305 33.5304 172.3724 103 K 5.3144 9.2126 126.8389 53.9715 35.6606 173.2690 104 P 4.3347 0.0000 0.0000 62.6600 31.6838 175.6875 105 L 4.5119 8.4029 121.6475 56.0174 43.9967 176.5715 106 H 4.4418 7.3121 116.2572 55.0748 33.3644 172.4346 107 L 4.6159 8.4051 125.7827 53.1397 43.6647 175.9558 108 G 4.0465 8.7249 114.0176 43.3349 0.0000 172.3061 109 S 4.3838 8.4290 112.3064 59.7658 63.6485 174.8941 110 R 4.6243 7.8557 117.8679 56.2181 33.1752 174.6864 111 H 5.5001 8.0065 114.1499 54.5280 33.6893 172.3009 112 Q 4.9107 8.9582 117.9183 54.4911 33.9925 174.2220 113 V 4.8351 8.5941 120.7021 61.1432 34.8612 174.2961 114 W 5.2624 9.5197 127.5277 54.8735 33.0986 174.1423 115 Q 5.1423 9.3700 124.2758 54.4835 31.3462 174.0642 116 I 5.0927 8.9003 127.6879 59.6504 40.1388 174.2419 117 E 4.8800 9.2307 127.0504 54.5701 32.1232 174.9935 118 I 4.9391 8.4520 124.9170 59.5385 40.1395 174.7978 119 F 5.4641 9.1462 125.4384 55.5550 43.0348 175.1307 120 D 5.1513 8.9031 121.3225 51.9711 41.1425 177.0758 121 E 4.2018 8.6785 115.9914 58.5824 29.3931 178.1377 122 K 4.3262 8.2722 117.5761 56.0326 32.4361 177.3150 123 G 3.8933 8.5967 107.8791 45.4136 0.0000 174.2194 124 R 4.2777 8.4045 119.9419 55.1049 30.8484 175.7789 125 L 4.0768 8.7101 124.3649 55.6102 42.6944 175.7353 126 C 4.6954 9.1720 123.7908 60.2764 30.8455 173.6850 127 C 5.0855 7.5742 117.5766 57.7593 35.0832 172.6130 128 S 5.0376 8.8150 120.2952 56.5747 64.7739 172.6282 129 S 5.2433 9.3727 121.1338 56.5250 66.7339 172.2804 130 R 5.1378 9.0071 122.9073 54.4539 33.3286 173.3407 131 L 5.2369 9.4156 128.5176 53.6540 45.0319 174.7789 132 T 5.2368 9.3141 123.6101 62.1944 70.8983 173.8406 133 T 5.3102 9.1804 115.6284 59.8117 73.0362 172.3762 134 A 5.1840 8.8762 123.3073 50.2323 22.0909 175.2879 135 I 4.7299 8.7725 123.6542 60.3064 38.2637 175.4617 136 L 4.5622 9.1067 126.8377 53.1866 45.2814 175.6914 137 L 4.2061 8.8487 120.3219 53.6614 43.5650 176.0260 138 E 4.1065 8.0480 124.3549 56.6938 30.5889 174.6366 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 I 8.02 3.91 1.52 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 0.24 -0.36 0.62 0.00 0.00 3 W 7.18 4.65 0.00 3.38 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 4 K 10.19 4.61 0.00 1.86 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 5 R 7.87 4.49 0.00 1.58 1.65 0.00 2.42 0.00 0.00 2.78 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 6 K 8.49 4.31 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 7 I 7.61 4.46 1.80 0.00 0.00 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 1.34 0.81 0.74 0.00 0.00 8 T 8.20 4.13 4.20 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 1.18 0.00 0.00 9 L 8.24 3.87 0.00 1.70 1.78 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.27 3.89 0.00 2.02 1.95 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 2.38 2.40 0.00 11 A 7.55 4.01 1.26 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 0.00 0.00 0.00 12 L 7.51 3.91 0.00 1.57 1.09 0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.27 4.69 0.00 2.87 2.94 0.00 0.00 7.05 7.36 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 14 A 7.95 4.22 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 *16 G 8.15 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 17 E 7.89 4.32 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 18 G 9.62 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 0.00 0.00 0.00 19 N 8.19 4.74 0.00 2.89 2.69 0.00 0.00 5.83 7.68 0.00 0.00 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 V 9.07 4.01 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 1.13 0.00 0.00 0.98 0.00 0.00 22 G 8.20 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 0.00 0.00 0.00 23 F 8.29 4.18 0.00 2.93 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 24 L 7.92 4.10 0.00 1.64 1.61 0.95 0.98 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 25 D 7.78 4.30 0.00 2.69 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 26 I 7.87 4.11 1.87 0.00 0.00 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 1.13 0.58 0.56 0.00 0.00 27 R 8.67 4.76 0.00 1.65 1.78 0.00 3.11 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 28 F 9.50 4.56 0.00 2.89 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 29 E 9.04 4.75 0.00 1.83 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 2.23 2.41 0.00 30 H 7.89 4.71 0.00 3.19 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.35 4.61 1.71 0.00 0.00 0.57 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 0.66 0.39 0.00 0.00 32 G 9.04 4.35 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 0.00 0.00 0.00 33 D 8.84 4.66 0.00 2.72 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 34 D 7.78 4.47 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 5.31 4.46 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 1.43 0.00 0.00 36 L 9.29 5.34 0.00 1.84 1.56 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.77 5.87 0.00 2.01 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 2.34 2.25 0.00 38 A 8.41 4.94 0.60 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 0.00 0.00 39 T 8.63 5.42 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 1.26 0.00 0.00 *41 P 0.00 4.40 0.00 2.19 2.09 0.00 3.78 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 1.81 1.90 0.00 42 V 8.50 4.25 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 0.83 0.00 0.00 0.93 0.00 0.00 43 D 8.51 4.76 0.00 2.76 2.69 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 0.00 44 S 9.03 4.07 0.00 3.96 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 45 R 7.86 4.23 0.00 1.60 1.67 0.00 2.57 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 0.00 46 T 8.03 4.58 4.22 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 1.15 0.00 0.00 47 K 7.80 4.86 0.00 1.77 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.54 7.81 48 Q 8.79 4.37 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 49 P 0.00 4.17 0.00 0.98 1.71 0.00 3.31 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 1.76 1.91 0.00 50 F 7.87 4.93 0.00 3.03 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 51 G 8.29 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 52 L 7.42 4.80 0.00 1.66 1.60 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.64 4.39 0.00 1.81 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.65 4.22 0.00 3.26 3.15 0.00 5.66 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 55 G 9.13 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 56 G 8.54 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 57 A 8.27 4.02 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 58 S 8.06 4.06 0.00 4.08 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 59 V 7.57 3.63 2.25 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 1.10 0.00 0.00 1.05 0.00 0.00 60 V 7.87 3.56 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 1.02 0.00 0.00 0.96 0.00 0.00 61 L 8.22 3.84 0.00 1.80 1.83 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.06 3.95 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 63 E 8.52 3.89 0.00 2.11 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 2.32 2.37 0.00 64 S 8.27 4.13 0.00 4.03 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 65 I 7.86 4.03 1.88 0.00 0.00 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 1.32 0.72 0.99 0.00 0.00 66 G 8.24 3.33 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 0.00 67 S 8.31 4.13 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 68 V 7.79 3.61 1.80 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 0.78 0.00 0.00 1.01 0.00 0.00 69 A 7.70 3.90 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.73 4.10 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 0.00 0.00 0.00 71 Y 8.39 4.28 0.00 3.05 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 72 L 8.48 3.90 0.00 2.04 1.94 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.07 4.79 0.00 3.55 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 74 T 7.73 4.72 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 1.36 0.00 0.00 75 E 8.08 4.65 0.00 2.08 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 2.25 2.29 0.00 76 G 8.28 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 0.00 0.00 0.00 77 E 8.95 4.13 0.00 1.99 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 2.33 2.29 0.00 78 Q 7.67 4.49 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 79 K 9.50 4.94 0.00 1.78 1.64 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.36 7.81 80 V 8.48 5.01 2.22 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 0.98 0.00 0.00 1.14 0.00 0.00 81 V 8.65 4.47 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 1.00 0.00 0.00 0.95 0.00 0.00 82 G 8.83 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 83 L 9.11 4.60 0.00 1.72 1.76 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.94 4.77 0.00 2.05 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 2.29 2.38 0.00 85 I 8.39 5.30 1.91 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 1.42 0.95 0.93 0.00 0.00 86 N 9.08 5.25 0.00 2.84 2.84 0.00 0.00 6.43 7.25 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 87 A 8.47 5.03 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.03 4.82 0.00 2.58 2.69 0.00 0.00 6.89 9.02 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 89 H 8.77 4.81 0.00 3.02 3.24 0.00 5.86 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 90 V 8.57 4.33 2.08 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 0.67 0.00 0.00 0.96 0.00 0.00 91 R 7.70 4.56 0.00 1.80 1.87 0.00 3.19 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 92 S 8.53 4.57 0.00 4.02 3.84 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 93 A 8.22 4.85 1.26 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 0.00 0.00 0.00 94 R 8.25 4.82 0.00 1.78 1.96 0.00 3.26 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 95 E 8.15 4.58 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 96 G 8.37 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 0.00 0.00 0.00 97 R 8.41 4.88 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 98 V 8.03 4.66 2.18 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 0.91 0.00 0.00 0.92 0.00 0.00 99 R 8.96 4.99 0.00 1.89 1.86 0.00 3.10 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 100 G 9.36 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 0.00 101 V 9.44 4.61 2.36 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 1.18 0.00 0.00 1.15 0.00 0.00 102 C 9.39 5.35 0.00 3.08 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 0.00 103 K 9.21 5.31 0.00 1.97 1.70 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 104 P 0.00 4.33 0.00 1.56 0.94 0.00 3.88 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 105 L 8.40 4.51 0.00 1.52 1.69 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.31 4.44 0.00 3.11 3.00 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.41 4.62 0.00 1.31 1.40 0.67 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.72 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 0.00 109 S 8.43 4.38 0.00 3.99 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 0.00 110 R 7.86 4.62 0.00 1.70 1.78 0.00 3.10 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 111 H 8.01 5.50 0.00 3.07 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.96 4.91 0.00 2.18 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 113 V 8.59 4.84 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 0.83 0.00 0.00 0.94 0.00 0.00 114 W 9.52 5.26 0.00 3.32 3.13 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 0.00 115 Q 9.37 5.14 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 116 I 8.90 5.09 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.49 0.94 0.00 0.00 117 E 9.23 4.88 0.00 1.91 1.28 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 0.00 2.31 2.57 0.00 118 I 8.45 4.94 1.75 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 1.19 0.72 0.88 0.00 0.00 119 F 9.15 5.46 0.00 2.98 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 0.00 120 D 8.90 5.15 0.00 2.93 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 0.00 121 E 8.68 4.20 0.00 2.18 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 2.38 2.35 0.00 122 K 8.27 4.33 0.00 1.96 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.43 7.81 123 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 0.00 124 R 8.40 4.28 0.00 2.30 1.92 0.00 3.16 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 125 L 8.71 4.08 0.00 1.69 1.63 0.48 0.89 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 0.00 126 C 9.17 4.70 0.00 2.93 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 0.00 127 C 7.57 5.09 0.00 2.94 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 0.00 128 S 8.81 5.04 0.00 3.84 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 0.00 129 S 9.37 5.24 0.00 3.82 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 0.00 130 R 9.01 5.14 0.00 1.90 1.97 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 131 L 9.42 5.24 0.00 1.82 1.66 1.05 0.69 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 0.00 132 T 9.31 5.24 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 1.26 0.00 0.00 133 T 9.18 5.31 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 1.41 0.00 0.00 134 A 8.88 5.18 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.77 4.73 1.97 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 1.30 0.92 0.97 0.00 0.00 136 L 9.11 4.56 0.00 1.55 1.53 0.95 0.18 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 0.00 137 L 8.85 4.21 0.00 1.58 1.58 0.94 0.96 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 0.00 138 E 8.05 4.11 0.00 2.08 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 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.