NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7886 8.1400 114.7938 57.7455 64.6567 174.0238 2 L 4.0115 8.7088 123.9469 58.3479 41.7719 178.1489 3 L 4.0624 8.7824 119.8138 57.8745 41.9496 178.7881 4 E 4.0787 8.1349 118.2545 59.2564 29.2885 179.0850 5 F 4.6568 8.7898 121.1374 61.3978 39.4702 177.3911 6 G 3.5379 8.4643 105.5192 47.6853 0.0000 175.6086 7 K 4.0116 8.1777 122.1406 59.3192 32.2467 178.5913 8 M 4.3744 8.3742 120.1078 58.1725 32.0896 178.1949 9 I 3.6000 7.9409 120.2749 64.2703 37.1944 178.1441 10 L 4.3816 7.8888 122.3478 57.7856 41.8905 178.7401 11 E 4.0059 8.4888 118.7813 59.5159 29.1644 179.3771 12 E 4.0971 8.2097 117.7162 59.1177 29.7950 178.5433 13 T 4.4214 8.2399 107.4221 60.9660 70.3812 175.8538 14 G 3.8048 8.2510 110.1496 45.6321 0.0000 173.1314 *16 K 4.5540 7.4503 117.8141 55.9258 33.4721 175.0485 17 L 4.2927 8.1703 122.2006 54.3020 42.5942 177.7760 18 A 4.0214 8.9234 126.6679 54.7236 18.4702 177.1402 19 I 4.6940 7.6654 115.9355 59.2861 38.5891 173.6453 20 P 4.9732 0.0000 0.0000 61.8503 31.8061 176.6156 21 S 4.2826 7.9691 116.0220 60.9500 62.7063 174.6108 22 Y 4.7612 8.2689 114.7376 57.4064 39.1409 176.2416 23 S 4.6770 8.1535 115.9631 59.7342 63.9765 175.2630 24 S 4.8116 7.8025 116.2341 57.9365 63.5168 172.2814 25 Y 4.5957 8.1334 122.1154 58.4076 40.0824 175.4644 26 G 3.4406 8.1552 116.6015 46.8132 0.0000 173.1461 27 C 4.5349 9.4664 115.4839 58.1673 40.8852 174.6301 28 Y 4.3482 8.6183 114.8665 57.7202 39.8392 175.0239 29 C 4.5378 8.5755 118.5443 56.6507 40.0928 170.9109 30 G 4.0520 9.6545 118.3521 44.7459 0.0000 169.3410 31 W 3.2612 8.9448 135.0000 56.8726 28.3683 173.2360 32 G 4.7264 7.1987 113.5426 45.3511 0.0000 171.4256 33 G 4.2771 8.4704 109.5881 45.0572 0.0000 171.7680 34 K 4.7174 7.5401 117.4124 55.4793 35.6680 175.9719 35 G 4.4603 9.7634 106.5568 45.1868 0.0000 173.1520 36 T 4.2685 7.9937 115.5630 61.4748 69.1301 173.5834 37 P 4.6003 0.0000 0.0000 63.0566 31.8738 176.8477 38 K 3.7801 8.7548 121.4999 59.1747 32.3717 176.1300 39 D 4.4315 7.2544 115.5509 51.5147 41.8138 175.4770 40 A 4.0218 8.6035 119.7616 55.8490 18.0491 179.8901 41 T 3.9940 8.0519 113.7637 67.0173 68.5574 176.2160 42 D 4.6022 9.0433 120.2738 57.5005 41.1300 178.5019 43 R 3.9575 8.2265 118.7085 59.1390 29.8995 178.2632 44 C 4.1833 8.2132 116.6232 60.3533 38.2708 175.5876 45 C 4.3139 8.1758 118.0778 59.7043 40.9607 175.8248 46 F 3.6590 8.4894 122.7382 61.3034 38.8940 177.4104 47 V 3.3910 8.0534 117.9491 66.1222 31.2463 177.4199 48 H 3.8789 8.2978 118.1665 59.2041 29.5971 177.0060 49 D 4.1372 8.2753 121.1073 57.4786 40.7184 178.1277 50 C 4.0674 7.8529 117.0554 59.9121 39.8891 175.3177 51 C 4.5009 7.8711 120.8324 59.4992 44.1602 175.0204 52 Y 4.3524 8.0538 118.5130 60.9822 37.1714 178.6848 53 G 3.5958 8.0368 105.8280 47.4073 0.0000 174.9719 54 N 4.5692 8.0755 117.7389 54.2818 39.6235 174.5931 55 L 4.9648 7.4930 120.1208 52.4927 41.8919 174.8352 56 P 4.1765 0.0000 0.0000 65.6999 32.3526 178.6527 *59 D 4.9905 7.8941 116.8469 54.3199 42.5357 175.2892 *61 C 5.2509 7.6194 116.1451 57.3350 42.5506 172.9400 *67 N 5.1083 7.9458 116.0927 52.6836 38.4430 173.6071 68 P 3.9837 0.0000 0.0000 65.1108 32.1081 179.2972 69 K 4.1352 7.9759 117.5211 58.2215 32.3002 178.5021 70 S 4.4736 7.8027 111.1155 58.4813 65.0234 174.0578 71 D 4.4241 8.1574 121.3201 53.9333 41.4135 175.3672 72 R 4.5293 8.3854 125.5714 54.8980 31.6099 174.9976 73 Y 4.9792 7.8852 118.9781 55.0297 41.2411 174.5950 74 K 5.0061 8.5855 118.7725 55.0104 35.2998 174.9861 75 Y 5.4853 8.2668 120.3041 55.7358 41.4474 173.3419 76 K 4.7080 9.2481 119.0462 55.4082 37.0532 174.6165 77 R 5.0498 8.5615 118.4478 54.6177 32.0720 176.9991 78 V 4.0609 8.9171 125.0689 61.8672 31.4481 173.6903 79 N 4.2598 9.4802 124.8132 53.4606 35.7483 172.7312 80 G 4.2748 8.2711 108.1351 45.3417 0.0000 172.6647 81 A 4.2374 7.4574 121.6154 51.4870 19.5497 177.0810 82 I 4.4624 8.3577 123.5151 61.0714 38.3954 175.7082 83 V 4.3281 9.0366 126.9872 60.9907 34.0078 173.9058 84 C 4.8258 8.8275 126.5152 57.1259 40.4518 173.7648 85 E 4.5216 9.0017 124.1552 55.1203 30.8290 176.5245 86 K 4.4192 7.9512 122.9300 55.9033 33.4848 175.2477 *88 G 4.2564 8.2751 115.5216 45.3425 0.0000 172.8729 89 T 4.2433 8.8795 115.7749 60.9252 71.0253 175.8129 90 S 4.0870 8.4901 116.2888 61.8633 62.8065 177.2119 91 C 4.2435 8.1166 119.6140 59.7582 39.7927 175.7366 92 E 3.9997 8.1591 120.0806 59.5156 28.6381 179.1984 93 N 4.2814 8.3626 116.5505 56.4957 38.6535 177.7775 94 R 3.9665 7.9900 119.4223 59.0467 30.1171 179.1857 95 I 3.6392 8.0500 120.1102 64.4656 37.1347 177.5126 96 C 2.9971 8.0392 119.4907 59.4384 40.9652 175.5018 97 E 3.8115 8.0089 119.9733 59.4198 28.9555 178.7549 98 C 4.1676 8.0092 116.4846 60.0956 39.7019 175.9429 99 D 3.8525 7.9889 120.3871 56.9887 40.4057 178.5786 100 K 3.7148 8.2525 120.3124 59.5101 32.0568 178.5704 101 A 3.8712 7.8476 120.6187 55.0850 18.2324 179.4926 102 A 3.4694 7.8068 119.0320 54.9926 18.4090 179.7004 103 A 3.9378 8.2342 119.6135 55.3886 18.3834 179.9584 104 I 3.6387 7.7667 118.3137 64.5571 37.0525 177.8457 105 C 4.1913 8.2559 119.5996 59.6623 43.2070 175.6141 106 F 4.4281 7.8524 118.7018 60.6338 38.5697 177.2725 107 R 4.0771 8.1453 118.3358 59.5647 29.7125 178.3971 108 Q 4.0945 8.3422 118.2425 58.0706 29.2501 176.2868 109 N 5.0707 7.6748 115.5771 52.8585 39.4735 176.2145 110 L 4.1968 7.9075 122.1043 57.7690 41.7989 179.2938 111 N 4.5029 8.3156 114.9986 54.9327 37.3395 175.4500 112 T 4.5405 7.8230 106.8391 60.9016 69.4584 173.7521 113 Y 4.1530 7.8089 124.7189 58.4703 39.4337 175.1319 114 S 4.9900 8.8117 122.5634 56.2418 65.8157 175.3111 115 K 4.1511 8.8204 125.2212 59.0645 32.4568 178.8572 116 K 3.9453 7.6489 117.8699 59.0684 32.7145 176.9919 117 Y 4.4231 7.2407 116.6867 58.1113 38.1538 175.2875 118 M 4.4206 7.5232 120.8342 56.2076 32.5471 175.9819 119 L 3.6732 8.3785 121.2895 55.7005 39.9120 174.5764 120 Y 4.1758 7.6964 119.6541 56.8427 39.4544 173.8427 121 P 4.3320 0.0000 0.0000 62.3248 32.2551 176.6768 122 D 4.2651 8.9694 122.6628 57.2666 41.1983 177.9557 *124 F 4.7426 7.8378 111.2406 56.4294 39.5531 175.1866 125 L 3.8013 6.9476 120.1306 54.7429 41.2582 176.0914 126 C 4.9058 8.1437 117.8905 54.7469 41.9831 173.2083 127 K 4.6870 8.3500 123.0784 55.6809 35.2438 176.5328 128 G 4.2083 8.9804 107.9335 46.0611 0.0000 172.0300 129 E 5.0403 8.4940 120.6945 54.5835 31.0042 175.2340 130 L 4.6573 8.5025 123.5927 52.5097 43.0953 176.4960 131 K 4.0820 8.4306 123.5190 56.6184 32.8716 177.9249 *133 C 4.8808 8.5673 118.4905 57.4784 41.5343 173.7485 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 S 8.14 4.79 0.00 4.11 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 2 L 8.71 4.01 0.00 1.90 1.84 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.78 4.06 0.00 1.75 1.73 0.94 1.01 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 4 E 8.13 4.08 0.00 1.97 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 2.25 2.23 0.00 5 F 8.79 4.66 0.00 3.37 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.46 3.54 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 0.00 7 K 8.18 4.01 0.00 1.92 2.09 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.51 7.81 8 M 8.37 4.37 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 9 I 7.94 3.60 1.80 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.15 0.57 0.00 0.00 10 L 7.89 4.38 0.00 1.76 1.83 0.89 0.71 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 11 E 8.49 4.01 0.00 2.26 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 0.00 2.40 2.72 0.00 12 E 8.21 4.10 0.00 2.10 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 2.50 2.45 0.00 13 T 8.24 4.42 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 1.22 0.00 0.00 14 G 8.25 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 *16 K 7.45 4.55 0.00 1.89 1.62 0.00 1.38 0.00 0.00 0.91 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.17 4.29 0.00 1.72 1.72 0.91 0.91 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 18 A 8.92 4.02 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 19 I 7.67 4.69 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.94 0.00 0.00 20 P 0.00 4.97 0.00 2.18 2.15 0.00 3.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.97 4.28 0.00 3.86 3.30 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 22 Y 8.27 4.76 0.00 2.74 2.59 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 23 S 8.15 4.68 0.00 4.09 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 24 S 7.80 4.81 0.00 4.02 4.08 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 25 Y 8.13 4.60 0.00 3.12 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 26 G 8.16 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.47 4.53 0.00 3.01 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 28 Y 8.62 4.35 0.00 3.23 3.30 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 29 C 8.58 4.54 0.00 3.50 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 30 G 9.65 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 31 W 8.94 3.26 0.00 3.70 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 32 G 7.20 4.73 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 0.00 0.00 0.00 33 G 8.47 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 0.00 0.00 0.00 0.00 34 K 7.54 4.72 0.00 1.93 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.40 7.81 35 G 9.76 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 36 T 7.99 4.27 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 37 P 0.00 4.60 0.00 1.92 2.03 0.00 3.46 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 1.52 1.79 0.00 38 K 8.75 3.78 0.00 0.79 0.74 0.00 1.68 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 D 7.25 4.43 0.00 2.91 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 40 A 8.60 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.05 3.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 42 D 9.04 4.60 0.00 3.00 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 43 R 8.23 3.96 0.00 2.08 1.96 0.00 3.11 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 44 C 8.21 4.18 0.00 3.22 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 45 C 8.18 4.31 0.00 3.37 3.53 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 46 F 8.49 3.66 0.00 2.55 3.02 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 47 V 8.05 3.39 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 0.91 0.00 0.00 1.03 0.00 0.00 48 H 8.30 3.88 0.00 3.08 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.28 4.14 0.00 2.64 2.62 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 50 C 7.85 4.07 0.00 2.88 2.93 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 51 C 7.87 4.50 0.00 2.94 3.05 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 52 Y 8.05 4.35 0.00 3.02 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 53 G 8.04 3.60 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 0.00 54 N 8.08 4.57 0.00 2.92 2.84 0.00 0.00 6.61 6.45 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 55 L 7.49 4.96 0.00 1.57 1.52 0.87 1.14 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 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 *59 D 7.89 4.99 0.00 2.76 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 *61 C 7.62 5.25 0.00 3.02 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 *67 N 7.95 5.11 0.00 2.73 2.77 0.00 0.00 7.61 8.03 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 68 P 0.00 3.98 0.00 0.97 0.49 0.00 3.32 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 1.41 1.63 0.00 69 K 7.98 4.14 0.00 1.80 1.91 0.00 1.80 0.00 0.00 2.03 0.00 0.00 3.19 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.56 1.46 7.81 70 S 7.80 4.47 0.00 3.93 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 71 D 8.16 4.42 0.00 2.72 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 72 R 8.39 4.53 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 73 Y 7.89 4.98 0.00 3.05 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 74 K 8.59 5.01 0.00 1.75 1.91 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.27 5.49 0.00 3.09 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 76 K 9.25 4.71 0.00 1.80 1.92 0.00 1.27 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.56 5.05 0.00 1.71 1.91 0.00 3.46 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.92 4.06 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 9.48 4.26 0.00 2.88 2.84 0.00 0.00 7.37 7.65 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 80 G 8.27 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 0.00 0.00 0.00 0.00 81 A 7.46 4.24 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 82 I 8.36 4.46 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.78 0.00 0.00 83 V 9.04 4.33 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.83 4.83 0.00 2.96 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 85 E 9.00 4.52 0.00 2.06 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 2.36 2.32 0.00 86 K 7.95 4.42 0.00 1.80 1.71 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.28 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 0.00 0.00 0.00 0.00 89 T 8.88 4.24 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 1.28 0.00 0.00 90 S 8.49 4.09 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.12 4.24 0.00 2.98 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 92 E 8.16 4.00 0.00 2.31 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 0.00 2.54 2.52 0.00 93 N 8.36 4.28 0.00 2.84 2.83 0.00 0.00 7.07 7.49 0.00 0.00 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 7.99 3.97 0.00 1.83 1.93 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 95 I 8.05 3.64 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 1.01 0.00 0.00 96 C 8.04 3.00 0.00 2.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.01 3.81 0.00 2.09 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 0.00 2.44 2.43 0.00 98 C 8.01 4.17 0.00 3.20 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 99 D 7.99 3.85 0.00 2.73 2.81 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 0.00 100 K 8.25 3.71 0.00 1.62 1.88 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.85 3.87 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 0.00 102 A 7.81 3.47 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 0.00 103 A 8.23 3.94 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 0.00 104 I 7.77 3.64 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 1.38 0.76 0.87 0.00 0.00 105 C 8.26 4.19 0.00 2.93 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 0.00 106 F 7.85 4.43 0.00 2.98 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 0.00 107 R 8.15 4.08 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.34 4.09 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.67 5.07 0.00 2.94 2.86 0.00 0.00 6.83 8.09 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 0.00 110 L 7.91 4.20 0.00 1.85 1.76 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.50 0.00 2.87 3.00 0.00 0.00 5.84 7.71 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 0.00 112 T 7.82 4.54 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 1.27 0.00 0.00 113 Y 7.81 4.15 0.00 3.00 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 0.00 114 S 8.81 4.99 0.00 3.70 3.46 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 0.00 115 K 8.82 4.15 0.00 2.04 2.18 0.00 1.51 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 116 K 7.65 3.95 0.00 1.64 1.74 0.00 1.22 0.00 0.00 1.41 0.00 0.00 2.42 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.56 0.32 7.81 117 Y 7.24 4.42 0.00 1.60 1.87 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 0.00 118 M 7.52 4.42 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 119 L 8.38 3.67 0.00 1.84 1.76 0.92 0.85 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 0.00 120 Y 7.70 4.18 0.00 3.00 3.06 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 0.00 121 P 0.00 4.33 0.00 2.04 2.10 0.00 2.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 122 D 8.97 4.27 0.00 2.76 2.78 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 *124 F 7.84 4.74 0.00 3.25 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 0.00 125 L 6.95 3.80 0.00 1.05 1.46 0.32 0.21 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 0.00 126 C 8.14 4.91 0.00 3.03 3.20 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 0.00 127 K 8.35 4.69 0.00 1.90 1.87 0.00 1.46 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 G 8.98 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 0.00 129 E 8.49 5.04 0.00 2.15 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 0.00 2.25 2.35 0.00 130 L 8.50 4.66 0.00 1.69 1.52 0.53 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.43 4.08 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.49 7.81 *133 C 8.57 4.88 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.