NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4369 8.3049 120.3483 55.5202 32.4113 174.7374 2 K 4.1523 8.2461 125.2258 55.1848 36.2464 174.5555 3 T 3.7593 8.4698 122.9364 62.0983 71.9612 172.3631 4 Y 4.3027 8.0443 114.1254 59.0498 42.7069 176.5386 5 V 3.0392 7.5125 112.6498 63.6131 29.0457 171.1539 6 P 4.7006 0.0000 0.0000 66.0216 32.2672 176.3244 7 K 4.3218 8.3954 116.5329 56.0163 33.5323 176.7672 8 Q 3.5010 7.7001 118.8715 57.1438 25.3733 176.7268 9 V 3.7077 7.3389 118.5015 62.9777 32.5322 175.0504 10 E 4.2275 8.4380 125.9841 54.6340 30.3151 174.8839 11 P 4.2900 0.0000 0.0000 62.5129 30.5394 175.9998 12 R 4.2370 8.4594 125.9077 56.0422 30.5451 175.3795 13 W 4.8702 8.8953 126.5335 56.4188 30.7413 175.9456 14 V 4.6296 8.0474 121.0447 61.8914 35.4618 172.6161 15 L 5.2374 8.4393 125.3988 53.3278 45.4592 174.9492 16 I 4.7433 8.8140 126.3620 59.6626 41.1319 172.9117 17 D 4.7123 8.8386 129.8192 52.9336 42.2411 175.7599 18 A 4.7183 8.4517 127.5121 51.7871 19.4941 177.5128 19 E 4.2817 9.4848 119.4590 59.9783 29.4574 178.0524 20 G 4.2347 7.9725 104.5625 45.5343 0.0000 171.8121 21 K 4.9453 8.7672 121.8182 54.0197 36.3583 175.0323 22 T 5.1509 8.5643 113.0926 60.0419 69.8284 174.1214 23 L 3.7787 8.5666 127.5856 57.3671 40.8033 176.1623 24 G 4.3034 9.5004 115.5114 46.6559 0.0000 175.8221 25 R 4.1576 7.8162 119.2568 56.8358 30.7724 177.2142 26 L 4.4578 7.6363 116.6736 56.5393 43.3104 177.5490 27 A 3.9762 8.1968 119.2673 56.0919 18.5523 178.6465 28 T 3.6975 8.3066 110.4713 65.9003 67.2615 175.5764 29 K 3.7791 7.9856 118.9312 59.9468 32.1631 179.1394 30 I 3.7688 7.4902 117.9474 64.1612 37.2380 177.2694 31 A 4.3827 7.8999 120.7491 54.1907 19.2498 179.4204 32 T 3.7192 7.6342 113.7264 66.3077 68.7995 175.8752 33 L 4.5738 8.1886 119.7223 55.0127 42.3078 177.6028 34 L 4.4922 7.8040 119.5006 55.1030 44.7829 174.7143 35 R 4.6553 7.2925 114.6417 53.9154 29.2566 174.3268 36 G 4.1709 7.8791 114.2018 45.5940 0.0000 171.1472 37 K 4.3113 8.3214 125.8299 55.2421 33.7375 176.5012 38 H 4.6665 8.4270 112.1040 56.1406 29.5076 174.9296 39 R 4.5895 7.3708 117.7931 53.5859 31.0498 176.2183 40 P 4.5833 0.0000 0.0000 63.1878 30.5523 176.3928 41 D 4.6636 8.8985 121.5510 56.3579 42.7523 176.4126 42 W 4.4783 7.0451 126.1492 54.9626 32.5390 174.8439 43 T 3.8700 7.2435 120.5814 60.8919 70.5120 173.3866 44 P 3.9607 0.0000 0.0000 62.3889 30.7955 176.6755 45 N 4.5512 7.3805 111.8456 51.6991 38.7098 172.5229 46 V 4.0620 8.0626 127.2476 61.4372 35.1090 173.3274 47 A 3.7846 7.8313 122.4671 53.1640 15.1703 179.1917 48 M 4.2889 8.3171 118.1861 58.7305 31.5604 176.9794 49 G 3.9508 7.3760 106.9394 44.9875 0.0000 172.9073 50 D 4.9244 8.5985 120.4571 54.7260 40.8782 175.4633 51 F 4.8297 8.7862 116.4080 55.9989 42.8495 175.1646 52 V 4.5659 7.7867 120.9190 61.3577 35.0225 173.9328 53 V 4.5901 8.6121 127.9466 61.4888 33.6035 174.6924 54 V 4.9934 8.7145 128.3504 60.0811 32.0530 175.3299 55 V 3.8328 8.1371 126.3004 60.7969 33.3185 176.2269 56 N 4.1658 8.7296 112.1945 54.8573 37.1515 175.6817 57 A 4.3702 8.4239 132.3899 51.6322 18.8305 176.8829 58 D 3.9677 9.1773 112.4465 55.8111 42.7053 175.1952 59 K 3.4960 8.8498 117.2097 57.8292 31.0056 175.2027 60 I 3.8197 8.1938 119.7767 62.1096 37.7795 176.2965 61 R 4.4905 9.2662 125.1427 56.2861 31.7923 176.0893 62 V 4.6779 8.1469 119.3071 60.0456 34.1580 172.7212 63 T 4.1826 9.0663 116.1441 64.4048 68.4818 179.3297 64 G 3.9255 8.7198 122.9909 45.9020 0.0000 174.9055 65 K 4.2508 8.5422 123.1385 56.5330 30.7844 176.6590 66 K 4.7300 8.2022 126.9277 56.3087 33.4177 177.7924 67 L 4.5395 8.1176 119.6434 52.3455 41.2058 176.2501 68 E 4.2270 8.7597 120.9234 56.0661 27.6345 175.4767 69 Q 4.5411 7.7146 116.2757 55.2258 29.2587 174.9056 70 K 4.6117 7.5291 117.3780 55.7351 35.4750 174.2419 71 I 5.1968 8.0746 125.5562 60.2690 41.6441 173.8291 72 Y 4.2691 8.8062 121.8377 57.3484 40.1383 175.3338 73 T 4.5406 8.5154 119.4890 62.1913 69.5589 173.5311 74 R 4.4802 8.4808 126.6206 54.6711 31.0968 172.9056 75 Y 4.9516 8.4364 126.6080 56.2240 40.0042 174.7266 76 S 4.4764 8.3885 121.7354 56.7456 64.4966 174.8580 77 G 3.5481 8.6467 110.6765 46.7285 0.0000 173.2269 78 Y 4.2980 7.4355 118.6888 55.4732 39.5577 173.0284 79 P 4.4617 0.0000 0.0000 63.6373 31.7645 177.3110 80 G 3.9858 9.1826 111.0170 46.0927 0.0000 174.1198 81 G 3.8236 7.9196 107.8388 45.6489 0.0000 172.7715 82 L 4.9630 7.7306 122.6073 53.4411 43.0013 176.2512 83 K 4.5407 9.2577 128.7527 55.3128 34.7952 175.0280 84 K 4.6851 8.4480 120.8830 54.7223 35.2161 176.5436 85 I 4.5851 8.3147 125.2434 58.3454 39.5435 173.5757 86 P 4.7812 0.0000 0.0000 62.2279 31.1598 176.3588 87 L 4.0348 8.2932 119.1623 57.9504 41.0547 178.6708 88 E 3.8929 7.9676 117.2532 59.8440 29.2985 179.4383 89 K 3.9730 7.8423 118.1877 59.4663 32.1308 179.0290 90 M 4.4079 7.9186 120.3103 58.1779 31.8124 178.6985 91 L 4.2916 7.5689 115.8867 55.7309 42.0318 177.3456 92 A 4.6056 8.6551 120.6829 51.5552 19.4916 176.1331 93 T 4.0441 7.6450 111.8700 63.1241 70.1770 173.1972 94 H 4.3399 8.7585 128.3795 56.6163 24.7866 174.7040 95 P 5.3734 0.0000 0.0000 62.7203 31.2667 178.1099 96 E 4.7417 8.4161 119.0703 57.4547 31.7480 178.2009 97 R 4.0772 8.0553 118.3533 59.1200 29.7796 178.5220 98 V 4.2690 7.8310 118.9560 65.2699 31.2880 177.7081 99 L 4.0687 7.7020 119.0980 58.2530 42.1958 178.1497 100 E 4.1325 8.7091 118.8226 60.0441 29.3137 179.4265 101 H 4.3501 9.0749 115.9324 58.9659 28.8491 177.5283 102 A 3.7907 7.5772 121.1900 55.6726 18.2164 178.5041 103 V 3.9113 8.0181 116.7278 64.1935 31.9234 177.9485 104 K 4.2814 9.4362 119.9135 59.3766 32.3059 177.8653 105 G 4.1681 8.6488 107.6926 45.7172 0.0000 174.4513 106 M 4.5873 8.2753 115.2789 55.7416 36.7850 175.0088 107 L 4.6298 7.2236 119.5475 52.3082 44.5420 176.1614 108 P 4.7540 0.0000 0.0000 63.0675 30.7885 177.0179 109 K 4.5406 8.6068 115.2527 55.1191 34.7641 176.7893 110 G 4.1320 7.6155 106.8828 43.1055 0.0000 172.1017 111 P 4.3245 0.0000 0.0000 64.5892 30.9718 178.1309 112 L 4.1560 7.8094 119.4695 57.7831 42.4924 178.6174 113 G 3.7096 7.9877 104.9884 47.7762 0.0000 175.0529 114 R 3.9495 8.4317 121.7411 58.8437 30.3137 178.0077 115 R 3.8571 8.2431 118.4068 59.7654 29.9145 178.3291 116 L 3.8930 9.5180 116.5958 58.5123 41.9039 178.6560 117 F 3.9398 8.3180 119.5936 61.3448 38.8852 177.3058 118 K 3.9370 8.4085 119.3103 59.3489 31.9371 178.7273 119 R 3.7292 7.6003 118.9991 55.1032 29.1506 176.7742 120 L 4.4440 7.0929 121.3183 54.1470 44.2504 174.3414 121 K 4.4658 8.2655 126.0928 54.6243 34.0665 175.9217 122 V 4.9447 8.2031 124.3215 61.3822 34.2714 173.9769 123 Y 4.7925 8.7545 124.1253 55.3843 41.8107 175.6619 124 A 4.9281 8.2236 124.2284 51.6118 19.1279 178.3320 125 G 4.2005 7.4901 122.7815 43.8419 0.0000 171.6385 126 P 4.3488 0.0000 0.0000 63.4420 31.3078 173.8319 127 D 4.3836 8.7692 119.4074 54.8549 36.4980 173.0017 128 H 4.0402 8.1376 118.1236 52.3664 28.5556 173.8214 129 P 4.2689 0.0000 0.0000 63.6335 29.8075 175.9075 130 H 5.5226 7.5788 135.0000 56.6698 28.4093 175.2939 131 Q 3.9053 7.4262 121.3047 56.2828 29.1623 174.7839 132 A 4.0966 8.5950 125.9575 50.9550 20.3817 174.9144 133 Q 4.9571 7.1548 114.0365 54.6395 31.2041 171.9052 134 R 4.8819 7.4149 111.8520 55.7918 30.4644 174.8298 135 P 4.5838 0.0000 0.0000 62.8941 29.1749 175.5734 136 E 4.6298 7.7530 117.3043 56.4579 31.2190 176.2434 137 K 4.6343 7.9521 127.4085 55.6685 31.2629 179.2448 138 L 4.5229 8.1942 117.0134 56.1556 43.7339 174.3846 *139 E 4.1515 8.2342 117.7590 55.9831 30.3597 176.9768 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 M 8.30 4.44 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 K 8.25 4.15 0.00 1.78 1.49 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.54 7.81 3 T 8.47 3.76 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 1.09 0.00 0.00 4 Y 8.04 4.30 0.00 2.93 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 5 V 7.51 3.04 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 0.81 0.00 0.00 0.90 0.00 0.00 6 P 0.00 4.70 0.00 2.20 2.24 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.21 0.00 7 K 8.40 4.32 0.00 1.90 1.94 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 8 Q 7.70 3.50 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 9 V 7.34 3.71 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 0.77 0.00 0.00 1.03 0.00 0.00 10 E 8.44 4.23 0.00 1.97 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 2.29 2.36 0.00 11 P 0.00 4.29 0.00 1.58 1.85 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 12 R 8.46 4.24 0.00 2.04 1.98 0.00 3.27 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.80 0.00 13 W 8.90 4.87 0.00 3.08 3.17 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 14 V 8.05 4.63 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 0.95 0.00 0.00 1.04 0.00 0.00 15 L 8.44 5.24 0.00 1.71 1.47 0.92 0.75 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 16 I 8.81 4.74 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.25 0.91 0.00 0.00 17 D 8.84 4.71 0.00 2.74 2.56 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 0.00 0.00 0.00 0.00 18 A 8.45 4.72 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 19 E 9.48 4.28 0.00 1.95 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 2.65 2.36 0.00 20 G 7.97 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 0.00 0.00 0.00 0.00 21 K 8.77 4.95 0.00 1.71 1.62 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.49 7.81 22 T 8.56 5.15 4.25 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 1.21 0.00 0.00 23 L 8.57 3.78 0.00 1.69 1.75 0.99 0.60 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 24 G 9.50 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 25 R 7.82 4.16 0.00 1.96 1.99 0.00 3.33 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 26 L 7.64 4.46 0.00 1.76 1.77 0.92 0.90 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 27 A 8.20 3.98 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 28 T 8.31 3.70 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 1.25 0.00 0.00 29 K 7.99 3.78 0.00 1.96 1.81 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 30 I 7.49 3.77 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.88 0.00 0.00 31 A 7.90 4.38 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 32 T 7.63 3.72 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 1.09 0.00 0.00 33 L 8.19 4.57 0.00 1.57 1.56 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.80 4.49 0.00 1.72 1.67 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.29 4.66 0.00 2.07 1.96 0.00 3.07 0.00 0.00 2.98 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 36 G 7.88 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 0.00 0.00 0.00 0.00 37 K 8.32 4.31 0.00 1.49 1.54 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.00 7.81 38 H 8.43 4.67 0.00 3.30 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.37 4.59 0.00 1.98 1.96 0.00 2.92 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 40 P 0.00 4.58 0.00 2.19 2.18 0.00 3.72 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 1.99 1.96 0.00 41 D 8.90 4.66 0.00 2.49 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 42 W 7.05 4.48 0.00 3.45 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 43 T 7.24 3.87 3.91 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 0.99 0.00 0.00 44 P 0.00 3.96 0.00 2.15 2.23 0.00 3.34 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 45 N 7.38 4.55 0.00 2.68 2.76 0.00 0.00 6.69 7.67 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 46 V 8.06 4.06 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 0.55 0.00 0.00 0.93 0.00 0.00 47 A 7.83 3.78 1.43 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 0.00 0.00 48 M 8.32 4.29 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 49 G 7.38 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 50 D 8.60 4.92 0.00 2.62 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 51 F 8.79 4.83 0.00 1.96 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 0.00 0.00 0.00 52 V 7.79 4.57 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 0.92 0.00 0.00 0.94 0.00 0.00 53 V 8.61 4.59 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 1.07 0.00 0.00 1.18 0.00 0.00 54 V 8.71 4.99 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 1.00 0.00 0.00 0.93 0.00 0.00 55 V 8.14 3.83 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 0.73 0.00 0.00 1.00 0.00 0.00 56 N 8.73 4.17 0.00 2.80 3.21 0.00 0.00 6.86 7.96 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 57 A 8.42 4.37 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 58 D 9.18 3.97 0.00 3.04 3.17 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 59 K 8.85 3.50 0.00 2.01 1.99 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 I 8.19 3.82 1.90 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 1.25 0.67 0.97 0.00 0.00 61 R 9.27 4.49 0.00 1.85 1.84 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 62 V 8.15 4.68 2.10 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 0.65 0.00 0.00 0.94 0.00 0.00 63 T 9.07 4.18 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 1.21 0.00 0.00 64 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 65 K 8.54 4.25 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 66 K 8.20 4.73 0.00 1.69 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.43 7.81 67 L 8.12 4.54 0.00 1.61 1.81 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.76 4.23 0.00 2.05 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 2.18 2.33 0.00 69 Q 7.71 4.54 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 K 7.53 4.61 0.00 1.78 1.59 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.36 7.81 71 I 8.07 5.20 1.87 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 1.38 0.66 1.01 0.00 0.00 72 Y 8.81 4.27 0.00 3.10 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 73 T 8.52 4.54 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 1.23 0.00 0.00 74 R 8.48 4.48 0.00 1.99 1.86 0.00 3.08 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 75 Y 8.44 4.95 0.00 2.94 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 76 S 8.39 4.48 0.00 3.85 3.64 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 77 G 8.65 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 78 Y 7.44 4.30 0.00 2.96 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 79 P 0.00 4.46 0.00 2.10 2.05 0.00 3.94 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 2.08 2.11 0.00 80 G 9.18 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 81 G 7.92 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 82 L 7.73 4.96 0.00 2.40 1.85 1.11 0.35 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 83 K 9.26 4.54 0.00 1.85 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.43 7.81 84 K 8.45 4.69 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 85 I 8.31 4.59 1.93 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 1.31 0.74 0.92 0.00 0.00 86 P 0.00 4.78 0.00 2.25 2.26 0.00 3.74 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 2.11 1.99 0.00 87 L 8.29 4.03 0.00 1.73 1.71 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.97 3.89 0.00 2.07 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 0.00 2.42 2.38 0.00 89 K 7.84 3.97 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.64 7.81 90 M 7.92 4.41 0.00 1.79 2.24 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.41 0.00 91 L 7.57 4.29 0.00 1.82 1.73 0.95 0.73 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 92 A 8.66 4.61 1.23 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 0.00 0.00 0.00 93 T 7.64 4.04 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 1.20 0.00 0.00 94 H 8.76 4.34 0.00 3.29 3.39 0.00 5.68 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 95 P 0.00 5.37 0.00 2.22 2.41 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 96 E 8.42 4.74 0.00 2.06 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 2.35 2.30 0.00 97 R 8.06 4.08 0.00 1.75 1.99 0.00 3.04 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 98 V 7.83 4.27 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 1.10 0.00 0.00 0.94 0.00 0.00 99 L 7.70 4.07 0.00 1.75 1.82 0.94 1.01 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 0.00 100 E 8.71 4.13 0.00 2.08 2.33 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 2.36 2.57 0.00 101 H 9.07 4.35 0.00 3.54 3.49 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 0.00 102 A 7.58 3.79 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 0.00 103 V 8.02 3.91 2.41 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 1.17 0.00 0.00 1.03 0.00 0.00 104 K 9.44 4.28 0.00 1.51 1.82 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.29 7.81 105 G 8.65 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 0.00 0.00 0.00 0.00 106 M 8.28 4.59 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 107 L 7.22 4.63 0.00 1.78 1.66 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.75 0.00 2.21 2.00 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 109 K 8.61 4.54 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.41 7.81 110 G 7.62 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 0.00 0.00 0.00 111 P 0.00 4.32 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 112 L 7.81 4.16 0.00 1.79 1.69 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.99 3.71 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 0.00 114 R 8.43 3.95 0.00 2.10 1.91 0.00 3.13 0.00 0.00 3.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 R 8.24 3.86 0.00 2.06 2.14 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 116 L 9.52 3.89 0.00 1.78 1.74 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.32 3.94 0.00 3.26 3.26 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 0.00 118 K 8.41 3.94 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.90 7.81 119 R 7.60 3.73 0.00 1.75 1.31 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 120 L 7.09 4.44 0.00 1.29 1.15 0.70 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.27 4.47 0.00 2.00 1.86 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.38 7.81 122 V 8.20 4.94 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 0.92 0.00 0.00 0.89 0.00 0.00 123 Y 8.75 4.79 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 0.00 124 A 8.22 4.93 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 0.00 125 G 7.49 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 0.00 0.00 0.00 0.00 126 P 0.00 4.35 0.00 2.21 2.14 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 127 D 8.77 4.38 0.00 2.81 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 0.00 128 H 8.14 4.04 0.00 3.05 3.22 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.27 0.00 2.18 2.08 0.00 2.92 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 130 H 7.58 5.52 0.00 3.52 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.43 3.91 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 132 A 8.59 4.10 -0.17 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 0.00 133 Q 7.15 4.96 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.61 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 134 R 7.41 4.88 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 135 P 0.00 4.58 0.00 2.11 2.10 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 136 E 7.75 4.63 0.00 1.94 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 2.36 2.40 0.00 137 K 7.95 4.63 0.00 1.79 1.33 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 138 L 8.19 4.52 0.00 1.58 1.56 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.23 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.