NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2774 8.3444 119.1322 54.6461 29.8548 174.3485 3 C 2.5557 8.2562 123.1312 56.5488 32.1217 171.4960 4 P 4.3155 0.0000 0.0000 62.3171 33.8969 176.7964 5 I 3.6484 8.4740 124.5816 65.3603 37.0429 179.0007 6 E 3.9951 8.1805 118.3674 61.5204 29.5109 180.7952 7 D 4.7437 7.9200 119.4315 56.7594 41.0808 178.5196 8 R 3.6773 8.0233 119.5766 59.6156 29.9810 178.6571 9 L 3.8369 7.9615 118.2891 57.4544 41.5674 179.2967 10 A 3.9940 7.9337 120.9042 55.2260 18.1088 179.8454 11 I 3.4917 7.2965 117.1488 64.3798 37.2187 178.1329 12 Q 3.5208 7.4955 117.7066 59.1160 28.7402 178.7426 13 D 4.4334 8.2344 119.9744 56.9116 40.6389 178.8099 14 L 4.0586 7.6921 117.1686 56.1901 41.7952 178.4053 *16 I 4.0769 7.7606 120.0210 60.9066 39.3754 177.8206 17 A 4.0074 8.5033 122.4844 55.1747 18.0266 178.9630 18 Y 4.0673 8.3700 117.9982 60.8608 38.9139 178.0643 19 A 3.8825 8.1917 121.1260 55.6007 18.3365 178.9152 20 H 3.9883 8.3946 116.3103 59.2019 29.6952 177.3683 21 A 3.9280 7.8553 121.5393 55.2203 18.5917 179.3733 22 V 3.8218 7.6634 116.9775 66.3184 31.3741 177.5564 23 D 4.6665 8.0476 116.5828 56.1502 40.7191 178.2164 24 T 3.7976 7.6857 111.0424 62.4420 68.3543 175.2176 25 V 3.1182 7.2842 119.0182 62.8732 30.6309 172.1722 26 S 4.2382 6.2117 111.2516 57.4793 69.4848 174.8152 27 D 4.6145 7.8715 122.4748 52.5035 38.8885 176.3092 28 I 3.8797 8.0149 125.2883 64.0302 37.5639 177.0947 29 D 4.3872 8.1862 118.9889 57.4138 40.4842 178.5660 30 A 4.0467 8.2326 120.1726 54.9557 18.6219 179.6008 31 V 3.7779 7.7230 116.3412 66.3887 31.6687 178.3155 32 L 4.0882 8.3461 119.0298 57.8399 41.1859 178.9993 33 D 4.4918 8.0571 117.0427 56.9384 41.3499 178.1068 34 V 3.6465 8.0977 118.8975 63.9659 31.5563 175.3272 35 F 5.2847 7.4543 116.6100 55.2429 41.4449 175.5493 36 T 4.2037 8.6407 114.5810 61.3000 69.4882 175.1285 37 E 3.6225 8.7437 122.7634 58.5971 29.7622 177.5602 38 D 4.6473 7.9094 115.3229 52.6605 40.1689 176.0970 39 A 4.3298 7.7876 122.6853 52.6545 19.8533 177.4218 40 V 4.0765 8.8895 122.4355 62.1550 32.6954 174.8043 41 F 4.5083 8.9909 132.9224 56.4784 39.4899 172.3277 42 D 4.7543 8.5660 124.2632 51.3562 42.2433 175.0189 43 L 4.1928 7.4238 125.1860 53.9859 42.4895 179.3062 44 S 4.7361 7.7439 116.6468 60.5949 63.0312 176.6074 45 G 3.6169 7.9913 109.3185 47.4577 0.0000 173.9082 46 I 4.0504 7.7853 111.1390 60.4550 37.7752 175.9670 47 G 3.9674 8.3211 108.1633 45.8658 0.0000 173.5076 48 L 4.7604 7.6193 119.0407 52.5256 43.7529 176.3123 49 T 4.2465 8.2884 118.4875 62.9151 68.9914 172.9408 50 P 4.4535 0.0000 0.0000 62.9058 32.2730 175.6512 51 Q 4.7255 9.0613 120.4941 54.1567 33.1775 174.4547 52 V 4.6026 8.2323 120.6679 62.2837 34.6269 176.3921 53 G 4.5810 9.5134 112.7363 43.7921 0.0000 174.1312 54 H 4.1774 8.6698 115.1044 58.6055 28.5566 178.0045 55 A 4.1129 8.0914 122.3642 55.1759 18.3064 179.8112 56 G 3.5118 7.9655 103.7190 47.9612 0.0000 175.9092 57 I 3.2899 7.6636 122.3168 63.7245 36.9958 178.4170 58 R 3.9096 8.3593 120.0593 59.3940 29.9713 177.9625 59 E 3.8667 8.1933 118.9855 59.3369 29.6265 178.3529 60 F 3.8401 8.0791 120.3926 61.5202 39.3156 176.9769 61 F 3.7547 8.1829 116.3255 59.5651 38.8724 178.0941 62 T 3.9087 8.2598 116.4795 66.5452 67.9971 175.9765 63 N 4.1736 7.5487 117.1067 56.6167 39.4928 176.6774 64 V 3.7293 7.2019 119.5128 66.2746 31.3461 178.1019 65 F 4.6883 8.1670 116.0110 60.4798 38.7458 177.3042 66 A 4.2515 7.8643 119.6306 54.3231 18.3304 177.5392 67 N 4.7107 7.7723 113.8438 53.9626 39.2470 177.1303 *69 S 4.3690 8.1478 115.6318 58.4254 65.4377 173.5325 70 H 5.1912 8.1354 114.6878 54.6005 33.2383 172.2078 71 H 5.5415 8.7831 116.2447 54.5802 33.1044 173.1742 72 A 4.5247 8.4860 123.5434 51.4619 21.4721 175.6666 73 H 4.9545 9.2951 121.8656 54.3246 30.2516 172.9532 74 Y 4.3888 8.9592 121.9911 57.1254 39.2993 174.6517 75 L 5.1053 8.5547 123.8615 53.1319 44.6330 175.7191 76 T 4.2259 8.1294 112.8961 59.7609 73.1395 172.8409 77 N 4.0764 8.3349 115.2831 54.1284 35.8319 175.1278 78 F 4.6260 7.9404 115.0609 57.7542 40.0000 175.9337 79 A 4.6771 8.6782 124.2967 50.1801 22.0866 175.7967 80 V 4.0378 8.5966 123.3781 63.0880 31.8401 175.7234 81 T 4.5531 8.6946 118.0068 61.5666 70.0499 174.5285 82 G 4.2071 7.8218 106.9523 46.1762 0.0000 172.1194 83 Y 5.1983 8.1149 122.7239 56.0553 42.3343 174.7172 84 E 4.3400 8.8657 126.9379 55.9245 30.3978 176.7138 85 G 3.9466 6.0949 114.6198 44.0237 0.0000 174.4847 86 D 4.6682 7.5291 118.1964 53.2134 41.4062 175.4205 87 T 5.5718 7.6034 108.6881 60.6778 72.8748 172.2751 88 A 5.1149 8.9185 123.1024 51.5437 23.6417 174.8099 89 S 5.5000 8.8147 113.1796 55.8985 67.4412 172.8082 *91 R 4.6340 8.3703 118.1286 56.5713 31.2649 173.8910 92 A 4.8577 8.4350 124.5359 50.5738 23.1565 175.0722 93 Y 4.8949 8.7947 118.2006 57.4936 39.9729 175.1840 94 V 4.7008 8.7453 121.6439 59.9871 35.1724 174.6593 95 I 4.4186 8.8026 124.8828 60.0316 38.6574 174.7391 96 G 4.3252 9.2157 115.5102 44.2852 0.0000 171.5855 *98 G 4.4123 8.3926 108.2719 45.9106 0.0000 171.8938 99 V 4.9857 8.5355 119.4407 59.6604 34.8754 175.7060 100 G 4.2069 9.0035 111.9037 45.4135 0.0000 174.8276 101 K 4.3454 9.2246 119.8674 58.3976 32.0665 178.1202 102 D 4.5468 8.0904 116.2156 53.2174 39.6063 177.2523 103 G 3.9485 8.2346 108.6069 45.4252 0.0000 173.7310 104 R 4.3954 8.2943 119.9150 55.4578 31.3564 176.0835 105 A 5.1015 8.6194 125.5734 51.3138 20.9404 176.2143 106 V 4.7723 8.6598 118.6325 60.4901 35.0136 174.9898 107 T 4.8690 9.1532 119.8801 61.9916 72.4623 172.8071 108 V 4.5440 9.2087 127.5664 61.6599 33.4505 174.3052 109 N 5.2421 8.8767 126.1922 52.5769 39.9098 173.1807 110 G 4.0608 8.3007 114.7153 45.8579 0.0000 170.7385 111 R 5.1064 8.5680 120.3033 54.6600 34.2945 174.5953 112 Y 5.1108 8.7861 120.2162 56.5411 40.8105 174.8677 113 F 5.2636 9.5537 122.0711 56.0398 42.3149 173.8703 114 F 5.4230 9.1779 122.8613 55.8330 41.6417 174.6259 115 E 5.1976 9.4062 122.8888 54.8215 32.1454 175.5633 116 V 5.1411 9.0703 116.4590 59.7037 36.5551 174.4590 117 R 5.2723 9.2616 122.6850 54.5305 33.6570 174.1964 118 R 3.6281 8.6260 127.2507 55.8609 30.6004 175.5749 119 T 4.5956 8.3412 118.0432 59.8234 71.8339 175.3186 120 E 3.9524 8.6656 116.7238 58.1630 29.7195 176.0750 121 K 4.4232 7.8574 115.1608 56.6460 32.5166 176.4447 122 G 3.8430 7.9756 106.4932 43.9138 0.0000 173.4156 123 W 4.7728 8.3734 118.4211 56.9010 29.5864 176.0491 124 K 4.9654 9.1239 121.1538 54.4066 36.4603 175.1523 125 A 4.7611 8.9200 125.4589 52.0825 19.0818 178.3067 126 T 4.3281 9.2143 113.1029 62.6736 71.2487 174.7521 127 R 5.1282 7.6076 121.5132 55.2424 33.9477 173.0038 128 Y 5.3395 9.0768 126.9627 56.4834 42.2850 173.9701 129 T 5.4592 8.9997 116.5210 59.0375 73.1262 171.9113 *131 D 4.5319 8.3729 119.7509 53.7157 40.4979 173.6612 132 F 5.0623 8.3738 116.7462 56.3888 40.4868 176.0871 133 L 4.4222 8.6103 122.9147 54.5185 41.9973 174.9478 *135 P 3.8141 0.0000 0.0000 61.4374 32.4017 176.0325 136 L 3.8134 7.6823 123.2726 55.7407 42.4619 176.0072 137 S 4.6504 8.7444 119.7629 57.5907 64.5378 173.5714 138 G 4.3349 8.7990 114.1971 47.0118 0.0000 172.6966 139 T 4.6562 8.2366 116.7601 60.5189 70.6540 173.4782 140 L 4.6833 8.3908 125.9567 54.7476 42.4058 178.1749 141 D 4.4139 8.0377 122.0259 57.5904 40.7623 178.1486 142 N 4.5283 8.1739 113.5881 54.5195 38.7327 175.1508 143 A 4.2714 7.7699 120.1011 51.6639 20.0265 177.0758 144 K 4.1607 7.5946 120.3608 56.2968 32.2754 176.2777 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 Q 8.34 4.28 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 C 8.26 2.56 0.00 2.56 2.58 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 4 P 0.00 4.32 0.00 2.19 1.93 0.00 3.41 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 5 I 8.47 3.65 1.83 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 1.45 0.73 0.87 0.00 0.00 6 E 8.18 4.00 0.00 1.97 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 1.99 0.00 7 D 7.92 4.74 0.00 2.82 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 8 R 8.02 3.68 0.00 1.71 1.99 0.00 2.99 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 9 L 7.96 3.84 0.00 1.67 1.61 0.87 0.78 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 10 A 7.93 3.99 1.51 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 11 I 7.30 3.49 1.51 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.28 0.70 0.00 0.00 12 Q 7.50 3.52 0.00 1.76 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 1.16 2.07 0.00 13 D 8.23 4.43 0.00 2.79 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 14 L 7.69 4.06 0.00 1.91 1.80 0.99 0.96 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 *16 I 7.76 4.08 1.94 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 1.47 0.80 0.92 0.00 0.00 17 A 8.50 4.01 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 18 Y 8.37 4.07 0.00 3.15 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 19 A 8.19 3.88 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 20 H 8.39 3.99 0.00 3.19 3.44 0.00 5.59 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 21 A 7.86 3.93 1.35 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 22 V 7.66 3.82 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 1.09 0.00 0.00 0.46 0.00 0.00 23 D 8.05 4.67 0.00 2.78 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 24 T 7.69 3.80 4.06 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 0.00 0.00 1.18 0.00 0.00 25 V 7.28 3.12 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 0.71 0.00 0.00 0.92 0.00 0.00 26 S 6.21 4.24 0.00 3.88 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.61 0.00 2.62 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 28 I 8.01 3.88 1.98 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 1.84 0.87 0.97 0.00 0.00 29 D 8.19 4.39 0.00 2.87 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 30 A 8.23 4.05 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 0.00 0.00 31 V 7.72 3.78 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 0.99 0.00 0.00 0.58 0.00 0.00 32 L 8.35 4.09 0.00 1.85 1.53 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.06 4.49 0.00 2.86 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 34 V 8.10 3.65 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 0.37 0.00 0.00 1.08 0.00 0.00 35 F 7.45 5.28 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 4.20 4.28 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 1.27 0.00 0.00 37 E 8.74 3.62 0.00 1.98 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 2.33 2.29 0.00 38 D 7.91 4.65 0.00 2.80 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 39 A 7.79 4.33 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 40 V 8.89 4.08 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 0.92 0.00 0.00 0.92 0.00 0.00 41 F 8.99 4.51 0.00 2.74 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 42 D 8.57 4.75 0.00 2.65 2.30 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 0.00 43 L 7.42 4.19 0.00 1.42 1.35 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.74 4.74 0.00 3.96 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 45 G 7.99 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 46 I 7.79 4.05 1.57 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 1.13 0.76 -0.03 0.00 0.00 47 G 8.32 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 48 L 7.62 4.76 0.00 1.83 1.68 1.10 0.86 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 49 T 8.29 4.25 4.28 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 1.22 0.00 0.00 50 P 0.00 4.45 0.00 1.89 1.90 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.21 0.00 51 Q 9.06 4.73 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 52 V 8.23 4.60 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 0.91 0.00 0.00 53 G 9.51 4.58 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 0.00 54 H 8.67 4.18 0.00 3.34 3.36 0.00 5.65 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 55 A 8.09 4.11 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 56 G 7.97 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 I 7.66 3.29 1.63 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 0.44 0.66 0.53 0.00 0.00 58 R 8.36 3.91 0.00 1.90 2.16 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 E 8.19 3.87 0.00 2.29 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 0.00 2.31 2.20 0.00 60 F 8.08 3.84 0.00 3.04 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 61 F 8.18 3.75 0.00 2.94 2.26 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 62 T 8.26 3.91 4.37 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 1.23 0.00 0.00 63 N 7.55 4.17 0.00 2.58 2.73 0.00 0.00 7.21 8.10 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 64 V 7.20 3.73 1.59 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 1.12 0.00 0.00 0.08 0.00 0.00 65 F 8.17 4.69 0.00 3.11 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 66 A 7.86 4.25 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 67 N 7.77 4.71 0.00 2.88 2.96 0.00 0.00 6.87 6.85 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 *69 S 8.15 4.37 0.00 3.94 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 70 H 8.14 5.19 0.00 3.09 3.13 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.78 5.54 0.00 3.04 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.49 4.52 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 73 H 9.30 4.95 0.00 2.99 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.96 4.39 0.00 2.93 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 75 L 8.55 5.11 0.00 1.49 1.16 0.99 0.13 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 76 T 8.13 4.23 4.09 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 1.16 0.00 0.00 77 N 8.33 4.08 0.00 1.95 2.17 0.00 0.00 6.87 7.45 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 78 F 7.94 4.63 0.00 2.83 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 79 A 8.68 4.68 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 80 V 8.60 4.04 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 0.90 0.00 0.00 0.85 0.00 0.00 81 T 8.69 4.55 4.33 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 1.33 0.00 0.00 82 G 7.82 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 0.00 0.00 0.00 0.00 83 Y 8.11 5.20 0.00 3.05 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 84 E 8.87 4.34 0.00 2.09 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 0.00 2.22 2.09 0.00 85 G 6.09 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 0.00 0.00 0.00 86 D 7.53 4.67 0.00 2.63 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 87 T 7.60 5.57 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 1.26 0.00 0.00 88 A 8.92 5.11 1.18 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 0.00 0.00 89 S 8.81 5.50 0.00 4.02 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 *91 R 8.37 4.63 0.00 2.12 1.96 0.00 3.34 0.00 0.00 3.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.29 0.00 92 A 8.43 4.86 0.77 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 93 Y 8.79 4.89 0.00 2.77 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 94 V 8.75 4.70 1.29 0.00 0.00 0.00 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 95 I 8.80 4.42 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.91 0.00 0.00 96 G 9.22 4.33 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 *98 G 8.39 4.41 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 0.00 99 V 8.54 4.99 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 0.78 0.00 0.00 0.97 0.00 0.00 100 G 9.00 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 0.00 0.00 0.00 0.00 101 K 9.22 4.35 0.00 1.80 1.89 0.00 1.77 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.44 7.81 102 D 8.09 4.55 0.00 2.77 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 0.00 103 G 8.23 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 0.00 0.00 0.00 104 R 8.29 4.40 0.00 1.93 1.88 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 105 A 8.62 5.10 1.27 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 0.00 0.00 106 V 8.66 4.77 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 0.89 0.00 0.00 1.14 0.00 0.00 107 T 9.15 4.87 4.28 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 1.26 0.00 0.00 108 V 9.21 4.54 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 1.12 0.00 0.00 1.14 0.00 0.00 109 N 8.88 5.24 0.00 2.80 2.75 0.00 0.00 6.79 7.58 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 0.00 110 G 8.30 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.57 5.11 0.00 1.62 1.32 0.00 3.14 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.00 112 Y 8.79 5.11 0.00 2.76 2.91 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 0.00 0.00 0.00 113 F 9.55 5.26 0.00 3.02 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 0.00 114 F 9.18 5.42 0.00 2.92 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 0.00 115 E 9.41 5.20 0.00 1.89 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 2.31 2.34 0.00 116 V 9.07 5.14 2.45 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 0.93 0.00 0.00 0.84 0.00 0.00 117 R 9.26 5.27 0.00 1.90 1.78 0.00 3.08 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 118 R 8.63 3.63 0.00 0.83 1.33 0.00 2.92 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 119 T 8.34 4.60 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 1.24 0.00 0.00 120 E 8.67 3.95 0.00 2.01 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 2.23 1.90 0.00 121 K 7.86 4.42 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.51 7.81 122 G 7.98 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 0.00 0.00 0.00 123 W 8.37 4.77 0.00 3.30 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 0.00 124 K 9.12 4.97 0.00 1.68 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.55 7.81 125 A 8.92 4.76 0.63 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 0.00 0.00 126 T 9.21 4.33 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 127 R 7.61 5.13 0.00 1.88 1.77 0.00 3.11 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 128 Y 9.08 5.34 0.00 2.36 2.46 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 0.00 129 T 9.00 5.46 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 1.14 0.00 0.00 *131 D 8.37 4.53 0.00 2.91 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 0.00 132 F 8.37 5.06 0.00 3.11 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 0.00 133 L 8.61 4.42 0.00 1.67 1.59 0.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *135 P 0.00 3.81 0.00 1.97 1.88 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 136 L 7.68 3.81 0.00 1.16 1.39 1.11 0.99 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 0.00 137 S 8.74 4.65 0.00 3.92 3.87 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 0.00 138 G 8.80 4.33 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 0.00 139 T 8.24 4.66 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 1.24 0.00 0.00 140 L 8.39 4.68 0.00 1.82 1.72 1.14 1.22 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 0.00 141 D 8.04 4.41 0.00 2.84 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 0.00 142 N 8.17 4.53 0.00 2.74 2.87 0.00 0.00 6.74 7.35 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 0.00 143 A 7.77 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.59 4.16 0.00 1.92 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.