NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3213 8.2493 123.5831 52.5709 19.9884 176.4322 2 T 4.4505 8.1025 109.6859 60.7509 70.5629 172.4414 3 K 5.2183 8.1182 122.8391 55.7326 37.4573 175.6609 4 A 5.2385 9.0021 124.8468 51.2163 23.5308 174.7722 5 V 4.8817 8.4645 116.6086 61.5899 35.3809 172.7494 6 C 4.8820 8.5428 119.9889 58.3639 35.8221 172.5039 7 V 4.8267 8.5144 125.6191 61.2073 33.5830 173.8927 8 L 5.0429 8.5432 127.9408 53.6231 43.9877 175.7606 9 K 4.5350 7.9761 120.2330 57.1321 37.2559 175.6795 10 G 4.7059 7.8535 108.3463 46.2837 0.0000 172.4891 11 D 4.4507 8.8495 118.3638 56.3693 41.4688 176.5834 12 G 4.2060 7.6084 108.2591 43.7966 0.0000 171.2405 13 P 4.3907 0.0000 0.0000 64.0327 32.2928 176.5574 14 V 4.0564 7.6272 121.2867 63.3592 32.4144 174.5403 15 Q 4.9230 8.1006 123.6073 56.5741 32.2370 173.1855 16 G 4.3261 8.1340 105.8660 45.9679 0.0000 171.7707 17 I 5.1069 7.9339 121.5403 59.3138 39.5839 174.9804 18 I 4.6630 8.5200 127.1706 59.5619 40.3128 174.4278 19 N 4.5636 8.6881 125.8771 51.8253 40.5384 174.2782 20 F 5.3999 8.6993 120.1170 55.7764 42.7749 174.0605 21 E 5.3265 9.7428 122.6360 54.8125 33.3466 174.1915 22 Q 4.9245 9.4413 127.0964 54.3811 30.8515 175.5629 23 K 4.2567 8.8919 126.3513 58.2286 32.8133 177.6393 24 E 4.7802 7.8751 117.8725 54.1243 33.1036 176.7113 25 S 4.1894 8.8852 117.4748 60.5248 63.3452 174.6226 26 N 4.7750 8.2165 116.6165 52.2716 37.2643 174.2754 27 G 4.0937 7.8822 108.7980 43.0932 0.0000 171.8083 28 P 4.6805 0.0000 0.0000 62.9071 32.4208 175.8806 29 V 4.5710 8.9182 121.7193 61.4304 33.2826 174.9662 30 K 4.8570 9.4309 128.6500 56.1273 33.7693 176.0862 31 V 4.7621 9.0619 124.9265 60.8084 34.1031 174.2950 32 W 5.5019 8.5291 124.2299 54.7655 31.8465 174.9638 33 G 4.2966 7.6329 106.3501 46.0510 0.0000 171.1679 34 S 5.0917 7.6243 115.1778 57.3315 66.3068 174.3911 35 I 4.8571 8.8315 126.7451 59.6730 40.8884 175.1379 36 K 4.5710 9.2674 127.5331 55.7942 35.3352 177.4793 37 G 3.7930 8.9073 106.4918 45.4505 0.0000 173.0670 38 L 4.5713 7.6956 119.9001 52.6381 43.2153 176.4008 39 T 4.2163 8.2760 112.7407 61.1386 69.4314 173.7665 40 E 4.0018 8.7918 124.8453 57.9282 30.6202 174.8086 41 G 4.0113 9.9047 110.0275 43.8491 0.0000 171.2625 42 L 5.1190 8.2550 122.1232 53.6361 44.2536 176.9311 43 H 5.1483 9.3799 122.8487 53.5449 32.8522 173.3046 44 G 4.1516 9.0809 110.4361 46.8542 0.0000 172.3219 45 F 5.7904 9.1935 124.5667 56.9208 42.4185 173.1415 46 H 5.2643 9.3918 122.7199 54.1622 33.9382 172.6053 47 V 4.5727 8.3026 120.7581 62.5141 33.0791 174.8734 48 H 5.2510 9.1088 124.6776 53.9092 31.6022 175.0016 49 E 3.7648 9.0571 121.8088 58.4994 29.5785 177.1385 50 F 5.1115 8.0665 118.1052 54.9031 42.1394 176.7255 51 G 3.9257 8.7165 112.0486 45.0151 0.0000 173.1695 52 D 4.7466 8.1639 120.5182 52.6662 41.5573 175.1292 53 N 5.3517 8.6571 124.9441 52.2696 39.4379 176.5903 54 T 3.8898 8.4947 111.3908 64.1602 69.2270 174.9673 55 A 4.5977 7.6325 124.3050 51.0350 19.2203 176.9351 56 G 3.8640 7.7608 112.4420 46.4235 0.0000 174.7119 57 C 4.4548 8.5340 115.0523 59.2603 40.0791 175.5184 58 T 3.7317 7.7531 116.7375 66.1902 68.0486 176.0892 59 S 4.3573 8.0654 116.0133 60.3340 63.1113 175.4361 60 A 4.5631 7.2250 124.4768 53.8912 18.2046 178.6943 61 G 4.1866 7.9113 105.0703 44.6619 0.0000 170.3376 62 P 4.7682 0.0000 0.0000 61.6637 34.5482 174.7381 63 H 4.3659 8.5817 115.6060 56.8575 29.2978 175.2099 64 F 4.4347 9.0509 124.7449 58.2103 40.4360 174.3764 65 N 4.5974 7.6459 118.5134 52.2424 40.3881 171.7057 66 P 4.2535 0.0000 0.0000 65.3912 31.3897 178.6512 67 L 3.8617 7.0723 118.5631 56.4581 42.0576 177.6049 *79 R 4.0668 7.3544 114.9461 55.8410 30.9745 174.9484 80 H 4.5413 8.0587 114.6761 55.5286 29.3402 177.0029 81 V 3.4497 8.2868 122.3522 66.1634 31.5642 177.7032 82 G 3.8008 8.2654 106.9884 48.9811 0.0000 172.3050 83 D 4.3142 7.9606 119.5714 54.6101 41.2259 175.8645 84 L 4.6064 8.0684 126.8301 53.8078 42.5236 179.1245 85 G 3.9018 8.6082 108.0713 46.6656 0.0000 173.6778 86 N 5.5800 8.6317 120.9744 51.5207 42.4909 173.7956 87 V 4.2971 8.8593 113.5772 59.9739 35.2803 175.3200 88 T 5.0273 8.1234 117.6068 61.8273 71.0906 173.1017 89 A 4.5803 9.2593 130.2083 51.0864 20.4314 177.4072 90 D 4.8217 8.8668 122.6942 52.0566 41.1725 177.1703 91 K 4.2513 8.4054 116.7634 59.7795 32.4377 177.4882 92 D 4.4835 8.1482 116.2766 54.3875 40.7854 177.1967 93 G 4.4069 8.3211 108.4578 44.6574 0.0000 173.4143 94 V 4.5114 7.7604 120.5565 61.9325 33.2322 174.5105 95 A 5.1055 8.7984 129.2534 49.3871 21.3107 174.6089 96 D 4.9136 8.7068 122.6323 53.5200 42.7769 176.2813 97 V 4.3646 8.5714 122.7522 61.0971 34.2503 174.3383 98 S 4.9775 8.6098 121.7657 57.0869 64.8973 172.6937 99 I 4.8382 8.8939 126.8440 60.2695 42.2955 173.9671 100 E 5.0949 8.5704 124.1923 55.3736 32.3929 173.5887 101 D 5.1359 9.2439 126.1604 52.7247 44.8687 176.0429 102 S 4.7291 8.8699 116.8978 58.3339 64.6456 175.0222 103 V 4.0995 9.3917 121.6336 64.4203 32.1152 176.6117 104 I 4.0530 7.8008 111.2787 60.8397 38.4896 174.6130 105 S 4.7424 8.6765 115.5030 56.9431 65.5452 174.2071 106 L 4.4993 9.2209 122.9872 54.5814 41.6321 176.7935 107 S 4.5930 7.6900 112.4688 57.5646 66.6450 175.2729 108 G 3.8073 8.6449 107.1627 44.4533 0.0000 172.9910 109 D 4.3698 8.8286 117.5462 57.7832 41.3054 178.4016 110 H 5.0264 8.0953 113.8724 55.5874 29.0110 174.0690 111 C 4.6574 8.0126 120.9681 59.7906 31.8529 173.4516 112 I 3.9387 8.0865 118.9047 60.9500 38.6507 175.8904 113 I 3.7587 7.4851 121.9857 63.1262 37.4676 176.0251 114 G 3.8017 9.4310 112.7572 45.7176 0.0000 172.9118 115 R 4.9834 7.5532 119.5463 54.4409 33.9593 174.3826 116 T 4.9900 7.7350 114.2419 62.0401 71.7947 173.4971 117 L 4.6470 8.5712 129.5319 54.5751 43.4184 175.4477 118 V 5.0153 9.4264 127.6710 60.9974 34.6486 174.2509 119 V 4.9843 8.7237 127.5312 60.7572 33.2724 175.0606 120 H 5.1445 9.2255 122.7289 54.1503 30.9090 175.0088 121 E 4.1367 8.8875 120.9636 59.5260 29.7761 177.3167 122 K 4.5484 8.1767 118.3411 54.9287 33.9824 176.3454 123 A 4.3077 8.6326 125.7361 52.7622 18.8113 176.6557 124 D 4.7121 9.3467 121.5280 52.4302 42.6519 175.9336 *141 G 3.9197 8.2759 117.1631 45.2358 0.0000 171.1523 142 S 4.4009 8.6301 115.9322 58.7430 64.7122 173.6290 143 R 4.4986 8.3406 119.1777 55.3350 30.4087 176.5130 144 L 4.4899 8.7218 124.0512 56.5393 43.7012 176.5659 145 A 4.9842 7.6436 117.4765 51.4268 22.4836 174.1573 146 C 5.6533 8.3939 113.4765 56.2222 41.2769 172.8633 147 G 4.6204 8.0913 104.2850 46.1039 0.0000 172.5913 148 V 4.4056 8.2899 121.7004 62.2848 32.9041 175.4252 149 I 4.2503 8.8883 128.8415 60.8327 38.4030 175.3019 150 G 4.4557 8.9463 113.3531 44.0921 0.0000 171.5932 151 I 4.4939 8.3276 120.6863 61.0252 37.8169 175.4450 152 A 4.8231 8.4599 126.9036 49.6821 22.4289 176.1362 153 Q 4.0675 8.5202 118.5926 56.4650 29.2243 175.8415 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 1 A 8.25 4.32 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 2 T 8.10 4.45 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 1.24 0.00 0.00 3 K 8.12 5.22 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.54 7.81 4 A 9.00 5.24 1.09 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 0.00 0.00 5 V 8.46 4.88 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 0.57 0.00 0.00 0.89 0.00 0.00 6 C 8.54 4.88 0.00 3.21 2.90 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 7 V 8.51 4.83 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 0.96 0.00 0.00 0.93 0.00 0.00 8 L 8.54 5.04 0.00 1.68 1.58 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.98 4.53 0.00 1.63 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.23 7.81 10 G 7.85 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.45 0.00 2.68 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 12 G 7.61 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 13 P 0.00 4.39 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 14 V 7.63 4.06 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 0.97 0.00 0.00 0.92 0.00 0.00 15 Q 8.10 4.92 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 16 G 8.13 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 17 I 7.93 5.11 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.02 0.84 0.00 0.00 18 I 8.52 4.66 1.88 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 1.29 1.69 0.59 0.00 0.00 19 N 8.69 4.56 0.00 1.44 1.61 0.00 0.00 6.35 8.01 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 20 F 8.70 5.40 0.00 2.93 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 21 E 9.74 5.33 0.00 2.45 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 2.33 2.58 0.00 22 Q 9.44 4.92 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 23 K 8.89 4.26 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 E 7.88 4.78 0.00 1.98 1.79 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 2.30 2.28 0.00 25 S 8.89 4.19 0.00 3.99 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 26 N 8.22 4.77 0.00 2.83 2.93 0.00 0.00 5.88 7.00 0.00 0.00 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 G 7.88 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 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.13 2.11 0.00 3.77 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 2.02 1.99 0.00 29 V 8.92 4.57 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 1.24 0.00 0.00 1.09 0.00 0.00 30 K 9.43 4.86 0.00 1.97 1.81 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.67 1.47 7.81 31 V 9.06 4.76 2.15 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 0.78 0.00 0.00 1.03 0.00 0.00 32 W 8.53 5.50 0.00 3.46 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 33 G 7.63 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 0.00 0.00 0.00 0.00 34 S 7.62 5.09 0.00 3.89 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 35 I 8.83 4.86 1.81 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 1.28 0.54 0.90 0.00 0.00 36 K 9.27 4.57 0.00 1.79 1.94 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.55 7.81 37 G 8.91 3.79 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 0.00 0.00 0.00 38 L 7.70 4.57 0.00 2.09 1.58 0.77 0.52 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 39 T 8.28 4.22 4.27 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 1.24 0.00 0.00 40 E 8.79 4.00 0.00 2.04 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 2.38 2.44 0.00 41 G 9.90 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 42 L 8.26 5.12 0.00 1.56 1.48 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.38 5.15 0.00 3.02 3.40 0.00 5.68 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 44 G 9.08 4.15 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 0.00 45 F 9.19 5.79 0.00 3.01 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 46 H 9.39 5.26 0.00 3.29 3.14 0.00 5.85 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 47 V 8.30 4.57 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 0.88 0.00 0.00 0.90 0.00 0.00 48 H 9.11 5.25 0.00 3.06 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.06 3.76 0.00 1.52 1.12 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 1.47 1.97 0.00 50 F 8.07 5.11 0.00 3.03 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 51 G 8.72 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 52 D 8.16 4.75 0.00 2.57 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 53 N 8.66 5.35 0.00 2.72 2.77 0.00 0.00 7.30 7.54 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 54 T 8.49 3.89 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 1.23 0.00 0.00 55 A 7.63 4.60 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 56 G 7.76 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 57 C 8.53 4.45 0.00 2.94 3.07 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 58 T 7.75 3.73 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 59 S 8.07 4.36 0.00 4.09 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 60 A 7.22 4.56 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 61 G 7.91 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 0.00 0.00 0.00 62 P 0.00 4.77 0.00 2.15 2.21 0.00 3.31 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 63 H 8.58 4.37 0.00 3.03 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 4.43 0.00 2.82 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 65 N 7.65 4.60 0.00 2.45 2.47 0.00 0.00 7.11 7.69 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 66 P 0.00 4.25 0.00 2.14 2.06 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 67 L 7.07 3.86 0.00 1.60 1.65 0.98 0.92 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 *79 R 7.35 4.07 0.00 1.97 1.95 0.00 3.06 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 80 H 8.06 4.54 0.00 3.15 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.29 3.45 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 0.45 0.00 0.00 0.49 0.00 0.00 82 G 8.27 3.80 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 0.00 0.00 0.00 83 D 7.96 4.31 0.00 2.75 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 84 L 8.07 4.61 0.00 1.67 1.78 0.73 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.61 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 0.00 0.00 0.00 86 N 8.63 5.58 0.00 2.57 2.75 0.00 0.00 6.60 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 87 V 8.86 4.30 1.79 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 -0.36 0.00 0.00 0.63 0.00 0.00 88 T 8.12 5.03 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 89 A 9.26 4.58 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 90 D 8.87 4.82 0.00 2.90 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 91 K 8.41 4.25 0.00 1.86 2.29 0.00 1.06 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 8.15 4.48 0.00 2.78 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 93 G 8.32 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 94 V 7.76 4.51 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 0.99 0.00 0.00 0.99 0.00 0.00 95 A 8.80 5.11 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 96 D 8.71 4.91 0.00 2.54 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 97 V 8.57 4.36 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 0.93 0.00 0.00 0.72 0.00 0.00 98 S 8.61 4.98 0.00 3.87 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 0.00 99 I 8.89 4.84 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 1.00 0.00 0.00 100 E 8.57 5.09 0.00 1.97 1.81 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 2.23 2.36 0.00 101 D 9.24 5.14 0.00 2.89 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 0.00 102 S 8.87 4.73 0.00 3.88 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 0.00 103 V 9.39 4.10 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 0.76 0.00 0.00 0.94 0.00 0.00 104 I 7.80 4.05 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 1.04 0.00 0.00 105 S 8.68 4.74 0.00 3.88 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 0.00 106 L 9.22 4.50 0.00 1.80 1.66 0.97 0.68 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 0.00 107 S 7.69 4.59 0.00 3.92 3.78 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 0.00 0.00 0.00 0.00 108 G 8.64 3.81 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 0.00 109 D 8.83 4.37 0.00 2.63 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 0.00 110 H 8.10 5.03 0.00 3.27 3.37 0.00 5.70 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 0.00 111 C 8.01 4.66 0.00 3.14 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 0.00 112 I 8.09 3.94 1.63 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 0.99 0.00 0.00 113 I 7.49 3.76 1.78 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 1.19 0.37 0.87 0.00 0.00 114 G 9.43 3.80 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 0.00 0.00 0.00 115 R 7.55 4.98 0.00 1.55 1.74 0.00 2.21 0.00 0.00 2.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.00 116 T 7.74 4.99 4.27 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 1.29 0.00 0.00 117 L 8.57 4.65 0.00 1.85 1.58 0.44 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.43 5.02 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 0.82 0.00 0.00 0.76 0.00 0.00 119 V 8.72 4.98 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 0.83 0.00 0.00 0.97 0.00 0.00 120 H 9.23 5.14 0.00 3.25 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.89 4.14 0.00 2.15 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 0.00 2.37 2.33 0.00 122 K 8.18 4.55 0.00 1.90 1.73 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.41 7.81 123 A 8.63 4.31 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.35 4.71 0.00 2.62 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 *141 G 8.28 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 0.00 142 S 8.63 4.40 0.00 3.93 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 0.00 143 R 8.34 4.50 0.00 1.66 1.79 0.00 3.24 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 144 L 8.72 4.49 0.00 1.70 1.68 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.64 4.98 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 0.00 146 C 8.39 5.65 0.00 3.01 3.12 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 0.00 147 G 8.09 4.62 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 0.00 148 V 8.29 4.41 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 0.82 0.00 0.00 0.92 0.00 0.00 149 I 8.89 4.25 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.37 0.00 0.00 150 G 8.95 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 0.00 0.00 0.00 0.00 151 I 8.33 4.49 1.85 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 1.25 0.54 0.91 0.00 0.00 152 A 8.46 4.82 1.17 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 0.00 0.00 0.00 153 Q 8.52 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.