NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3515 8.0932 114.7986 57.7839 64.5706 174.2276 2 L 4.0896 8.2013 120.0119 57.4478 40.7289 178.7007 3 L 4.0512 8.4375 119.6185 57.8334 41.4710 178.9491 4 E 4.1018 8.0080 118.1041 59.1083 29.4548 178.8994 5 F 4.7180 8.5542 120.9817 61.4714 39.5349 177.4616 6 G 3.5249 8.3632 105.4091 47.6396 0.0000 175.6111 7 K 4.0501 7.9230 121.5759 59.2905 32.1380 178.7094 8 M 4.0556 8.2820 118.5700 58.6743 32.2143 178.2112 9 I 3.5842 7.6823 119.9423 64.2631 37.1883 178.0802 10 L 4.4778 7.7599 122.3280 57.7709 41.6852 178.9060 11 E 3.9766 7.9814 117.1506 59.3191 29.4822 178.7843 12 E 4.0812 8.3045 118.5729 59.1422 29.9344 178.1145 13 T 4.3982 8.5294 107.3144 61.1416 70.1975 175.7641 14 G 3.8080 8.1934 110.4342 45.5460 0.0000 173.1675 *16 K 4.4731 7.4545 117.7147 56.0775 33.3425 174.8223 17 L 4.4570 8.1274 121.7184 53.9879 42.8316 177.4356 18 A 4.0245 8.8741 127.0078 54.9842 18.3415 177.0863 19 I 4.7344 7.6553 115.0276 59.3162 38.6650 173.9358 20 P 5.0395 0.0000 0.0000 61.9495 31.7286 176.6796 21 S 4.3229 7.7594 117.3374 61.1239 62.7549 174.8655 22 Y 4.7002 8.1833 114.6994 57.5711 38.6563 176.4300 23 S 4.6731 8.0960 114.9256 59.5770 64.1387 174.8439 24 S 4.6048 7.8572 116.8009 57.8926 63.1501 172.3555 25 Y 4.8278 8.4004 122.3125 58.0476 40.5949 175.1575 26 G 3.6030 8.1582 116.3163 47.1278 0.0000 173.5670 27 C 4.7308 9.7671 116.4383 57.3765 41.3739 174.8006 28 Y 4.2253 8.6774 115.4855 58.3355 40.1253 175.6020 29 C 4.7581 8.2504 116.7060 56.6963 38.8872 173.9335 30 G 4.1361 8.2579 111.6499 44.1249 0.0000 169.5533 31 W 3.9906 8.7375 131.5541 58.3564 31.8628 178.1687 32 G 3.8005 8.6010 115.0557 46.8743 0.0000 172.7006 33 G 4.0487 7.9190 115.7441 45.4911 0.0000 171.2933 34 K 4.4982 7.3429 119.8851 55.7295 36.4473 177.5568 35 G 3.9459 8.4767 109.0165 45.1031 0.0000 172.4199 36 T 4.3484 7.5782 115.4159 61.2156 69.6231 173.3563 37 P 4.5616 0.0000 0.0000 62.8172 31.8678 176.8884 38 K 3.8487 8.7668 122.2920 59.2208 32.3386 176.0599 39 D 4.4189 7.3003 115.5280 51.3765 41.8660 175.1212 40 A 3.9777 8.8070 119.8459 56.1935 17.9985 179.8976 41 T 3.9948 7.9595 113.5493 66.9750 68.5577 176.2620 42 D 4.5383 8.8707 120.0720 57.2773 41.1435 178.5023 43 R 3.9952 8.2176 119.0338 59.1208 29.9889 178.2000 44 C 4.1862 8.2004 116.5816 60.3260 35.6449 175.5896 45 C 4.2865 8.1902 118.0866 59.6394 40.1895 175.9184 46 F 3.7912 8.1497 122.4712 61.2813 38.9080 177.3712 47 V 3.2942 7.9462 117.9625 66.0216 31.2693 177.4207 48 H 3.8020 8.1554 117.9687 59.2033 29.7015 176.7998 49 D 4.1910 8.4005 120.9253 57.7667 40.4464 178.4184 50 C 4.1388 7.4611 115.5712 59.8070 34.6227 175.0277 51 C 4.2711 8.1652 120.5443 59.9576 43.2920 175.3200 52 Y 4.2427 7.9784 118.4668 60.9975 37.1876 178.6931 53 G 3.6307 7.9376 105.6521 47.3029 0.0000 174.4784 54 N 4.7274 7.6039 115.9370 53.1225 40.1661 175.4623 55 L 4.7140 7.5190 120.7475 51.8920 41.4254 174.0552 56 P 4.2159 0.0000 0.0000 65.6530 32.0963 178.5522 *59 D 4.7105 7.8208 114.3607 54.3437 42.8736 175.6284 *61 C 5.1785 7.5355 115.7615 57.1470 41.0654 172.7171 *67 N 4.9986 7.9418 116.1376 52.5530 38.5125 173.3758 68 P 3.9303 0.0000 0.0000 65.0734 32.1467 178.9312 69 K 4.0597 7.9382 119.0873 58.2594 32.3481 177.9132 70 S 4.6119 7.7570 110.4306 57.9287 64.8641 173.5358 71 D 4.4468 8.2536 122.1708 53.8993 41.3345 175.3376 72 R 4.6073 8.6891 125.2939 54.1607 31.5064 175.0127 73 Y 4.9474 7.6685 118.9424 55.0107 41.2370 174.3573 74 K 4.9678 8.5344 118.3087 55.0174 35.3602 175.1046 75 Y 5.5308 8.1745 120.0489 55.8811 41.0783 173.5743 76 K 4.6964 9.3539 119.2466 55.4759 36.9557 174.7481 77 R 5.0484 8.5688 119.2983 54.7361 32.0192 177.0299 78 V 4.1042 8.9647 124.3308 61.6761 31.6196 174.5991 79 N 4.1988 9.4698 126.7990 53.8890 35.8348 173.6213 80 G 4.1884 8.3808 106.2313 45.6077 0.0000 174.0318 81 A 4.1479 7.5736 122.4856 51.8602 18.9972 176.0725 82 I 4.6946 8.1613 122.8570 60.5097 38.5534 175.5097 83 V 4.3768 8.9764 127.0798 61.0614 34.1800 173.8249 84 C 4.8651 8.8564 126.2975 56.8737 40.5796 173.7652 85 E 4.4158 9.1367 124.2782 55.5450 30.5314 176.7884 86 K 4.0965 8.5491 123.6824 56.4790 33.6431 175.5052 *88 G 4.2896 8.2754 114.5805 45.4899 0.0000 173.0554 89 T 4.2462 8.7879 115.1461 60.8354 71.2073 175.6428 90 S 4.0397 8.5371 115.4123 61.9057 62.1913 176.9707 91 C 4.2357 8.0857 118.4176 60.1168 40.3503 175.7275 92 E 3.9396 8.0171 119.6098 59.4745 29.1259 179.2471 93 N 4.2584 8.3185 116.5048 56.5198 38.7630 177.8034 94 R 3.9119 7.8671 119.2491 58.9716 30.0935 179.2956 95 I 3.6122 7.9366 120.1695 64.4382 37.0497 177.4939 96 C 3.0590 7.6177 119.2068 59.3931 37.7808 175.5355 97 E 3.7382 7.8681 119.8331 59.3537 29.0893 178.7214 98 C 4.1891 7.9103 116.1345 60.0559 40.2298 175.9263 99 D 3.9679 7.9586 120.3599 57.0802 40.4174 178.5144 100 K 3.7244 8.1955 120.2832 59.5892 32.0109 178.5358 101 A 3.8701 7.7918 120.2089 55.0380 18.2770 179.4741 102 A 3.4367 7.6480 118.5786 54.9856 18.4190 179.6658 103 A 3.9171 8.1619 119.5193 55.3834 18.3824 179.9700 104 I 3.6202 7.6381 118.2678 64.5658 37.0404 177.8092 105 C 4.1577 8.2201 119.5598 59.7006 43.1982 175.6004 106 F 4.4445 7.9143 118.5483 60.6965 38.4538 177.2923 107 R 4.0715 8.1411 118.3111 59.5259 29.7058 178.3139 108 Q 4.1245 8.3354 118.0406 57.9510 29.2359 176.1888 109 N 5.0536 7.6018 116.2719 52.9575 39.6328 176.2486 110 L 4.1554 7.8978 122.1292 57.8568 41.8080 179.3939 111 N 4.4510 8.3229 115.0074 55.1415 37.2421 175.4792 112 T 4.5087 7.7021 106.8279 60.9845 69.2493 173.7717 113 Y 4.1110 7.9486 124.9880 58.2302 39.3763 174.7444 114 S 4.9462 8.9661 121.6643 56.0951 64.8623 174.9530 115 K 4.1348 8.7303 127.0928 58.8905 32.0437 178.8343 116 K 3.9884 7.2688 116.2325 58.7403 32.6729 177.1597 117 Y 4.3382 7.2403 116.9204 57.9961 38.2394 175.2596 118 M 4.3848 7.4859 120.8650 56.1559 32.6315 176.0338 119 L 3.7019 8.5705 121.7655 55.5938 40.0775 174.6529 120 Y 4.1934 8.1105 118.3658 56.8550 39.6794 173.6604 121 P 4.3226 0.0000 0.0000 62.3875 32.3581 176.6821 122 D 4.2261 8.9316 122.6710 57.2018 41.2556 178.0207 *124 F 4.7744 7.8332 111.3672 56.5028 39.5470 175.4162 125 L 3.6460 6.6500 118.8826 55.2497 41.5531 176.1514 126 C 4.6710 7.8269 117.5303 55.3814 37.0494 172.8105 127 K 4.6405 8.4322 125.2233 55.1973 34.8630 174.4205 128 G 3.9043 8.5919 108.5005 44.3109 0.0000 172.2090 129 E 4.7532 8.3154 115.1320 54.7910 32.4248 174.6030 130 L 4.3284 8.3214 122.3902 54.0059 44.5565 174.6646 131 K 4.4564 8.5374 127.0272 55.3343 33.9198 176.8332 *133 C 4.8368 8.4735 119.3163 57.4628 41.5339 173.8855 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 8.09 5.35 0.00 4.21 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 2 L 8.20 4.09 0.00 1.83 1.89 1.05 0.55 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 8.44 4.05 0.00 1.69 1.70 0.93 0.87 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 4 E 8.01 4.10 0.00 1.65 1.83 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 1.96 2.28 0.00 5 F 8.55 4.72 0.00 3.30 3.16 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 6 G 8.36 3.52 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 0.00 0.00 0.00 7 K 7.92 4.05 0.00 2.00 2.15 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.51 7.81 8 M 8.28 4.06 0.00 2.27 2.13 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 2.18 2.48 0.00 9 I 7.68 3.58 1.79 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.13 0.70 0.00 0.00 10 L 7.76 4.48 0.00 1.83 1.89 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.98 3.98 0.00 2.19 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 2.41 2.76 0.00 12 E 8.30 4.08 0.00 2.12 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 2.39 2.36 0.00 13 T 8.53 4.40 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 1.23 0.00 0.00 14 G 8.19 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 *16 K 7.45 4.47 0.00 1.88 1.61 0.00 1.43 0.00 0.00 0.91 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.25 7.81 17 L 8.13 4.46 0.00 1.73 1.69 0.91 0.71 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 8.87 4.02 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 19 I 7.66 4.73 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.96 0.00 0.00 20 P 0.00 5.04 0.00 2.19 2.13 0.00 3.36 0.00 0.00 2.85 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 7.76 4.32 0.00 3.79 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 8.18 4.70 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 23 S 8.10 4.67 0.00 4.12 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 24 S 7.86 4.60 0.00 4.05 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 25 Y 8.40 4.83 0.00 3.16 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 3.60 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 27 C 9.77 4.73 0.00 3.19 3.21 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 28 Y 8.68 4.23 0.00 3.35 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 29 C 8.25 4.76 0.00 3.54 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 30 G 8.26 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 31 W 8.74 3.99 0.00 3.53 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 32 G 8.60 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 33 G 7.92 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 34 K 7.34 4.50 0.00 1.66 1.69 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 35 G 8.48 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 36 T 7.58 4.35 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 1.11 0.00 0.00 37 P 0.00 4.56 0.00 1.86 1.87 0.00 3.37 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 38 K 8.77 3.85 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.28 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 0.38 7.81 39 D 7.30 4.42 0.00 2.78 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 40 A 8.81 3.98 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 7.96 3.99 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 0.98 0.00 0.00 42 D 8.87 4.54 0.00 2.96 2.76 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 0.00 0.00 0.00 43 R 8.22 4.00 0.00 2.10 1.96 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 44 C 8.20 4.19 0.00 3.20 2.68 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 0.00 0.00 0.00 0.00 45 C 8.19 4.29 0.00 3.34 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.15 3.79 0.00 2.57 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 47 V 7.95 3.29 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 0.90 0.00 0.00 0.99 0.00 0.00 48 H 8.16 3.80 0.00 3.09 3.26 0.00 5.65 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 49 D 8.40 4.19 0.00 2.89 2.65 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 50 C 7.46 4.14 0.00 2.80 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 51 C 8.17 4.27 0.00 2.94 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 52 Y 7.98 4.24 0.00 3.04 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 53 G 7.94 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 0.00 0.00 0.00 54 N 7.60 4.73 0.00 2.78 2.83 0.00 0.00 6.78 9.04 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 55 L 7.52 4.71 0.00 1.56 1.49 0.83 1.24 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 56 P 0.00 4.22 0.00 2.15 2.09 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 *59 D 7.82 4.71 0.00 2.74 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 *61 C 7.54 5.18 0.00 3.03 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 7.94 5.00 0.00 2.72 2.76 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 3.93 0.00 1.06 0.51 0.00 3.29 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 69 K 7.94 4.06 0.00 1.73 1.74 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.43 7.81 70 S 7.76 4.61 0.00 3.97 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 71 D 8.25 4.45 0.00 2.72 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 72 R 8.69 4.61 0.00 1.80 1.94 0.00 3.20 0.00 0.00 2.95 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 73 Y 7.67 4.95 0.00 3.02 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 74 K 8.53 4.97 0.00 1.75 1.74 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.17 5.53 0.00 3.09 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 76 K 9.35 4.70 0.00 1.79 1.88 0.00 1.30 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 77 R 8.57 5.05 0.00 1.75 1.95 0.00 3.63 0.00 0.00 3.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 78 V 8.96 4.10 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 1.02 0.00 0.00 0.96 0.00 0.00 79 N 9.47 4.20 0.00 2.90 2.87 0.00 0.00 7.42 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 8.38 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 81 A 7.57 4.15 1.33 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 82 I 8.16 4.69 1.84 0.00 0.00 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 1.23 0.61 0.80 0.00 0.00 83 V 8.98 4.38 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.86 4.87 0.00 2.87 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 85 E 9.14 4.42 0.00 2.00 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 2.42 2.44 0.00 86 K 8.55 4.10 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.44 7.81 *88 G 8.28 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 0.00 0.00 0.00 0.00 89 T 8.79 4.25 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 1.26 0.00 0.00 90 S 8.54 4.04 0.00 3.89 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 91 C 8.09 4.24 0.00 2.98 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 92 E 8.02 3.94 0.00 2.30 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 0.00 2.54 2.55 0.00 93 N 8.32 4.26 0.00 2.82 2.81 0.00 0.00 7.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.87 3.91 0.00 1.81 1.91 0.00 3.08 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 95 I 7.94 3.61 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.97 0.00 0.00 96 C 7.62 3.06 0.00 1.86 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 97 E 7.87 3.74 0.00 2.09 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 2.42 2.42 0.00 98 C 7.91 4.19 0.00 3.22 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 7.96 3.97 0.00 2.78 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 0.00 100 K 8.20 3.72 0.00 1.71 1.90 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 101 A 7.79 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 7.65 3.44 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 0.00 103 A 8.16 3.92 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 0.00 104 I 7.64 3.62 1.93 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 1.37 0.66 0.87 0.00 0.00 105 C 8.22 4.16 0.00 2.93 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 0.00 106 F 7.91 4.44 0.00 2.98 2.71 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 0.00 107 R 8.14 4.07 0.00 2.13 1.94 0.00 3.37 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 108 Q 8.34 4.12 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 7.60 5.05 0.00 2.90 2.85 0.00 0.00 6.82 6.69 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 0.00 110 L 7.90 4.16 0.00 1.87 1.76 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.45 0.00 2.87 3.00 0.00 0.00 5.87 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 7.70 4.51 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 7.95 4.11 0.00 3.07 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 0.00 114 S 8.97 4.95 0.00 3.89 3.72 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 0.00 115 K 8.73 4.13 0.00 1.86 1.86 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.57 7.81 116 K 7.27 3.99 0.00 1.63 1.70 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.75 0.21 7.81 117 Y 7.24 4.34 0.00 1.84 1.74 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 0.00 118 M 7.49 4.38 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 119 L 8.57 3.70 0.00 1.79 1.76 0.94 0.72 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 0.00 120 Y 8.11 4.19 0.00 3.01 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 0.00 121 P 0.00 4.32 0.00 1.89 2.12 0.00 2.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 122 D 8.93 4.23 0.00 2.70 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 *124 F 7.83 4.77 0.00 3.22 3.14 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 0.00 125 L 6.65 3.65 0.00 0.89 1.44 0.31 0.32 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 7.83 4.67 0.00 3.14 3.22 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 0.00 127 K 8.43 4.64 0.00 1.70 1.59 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.37 7.81 128 G 8.59 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 0.00 129 E 8.32 4.75 0.00 2.07 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 2.30 0.00 130 L 8.32 4.33 0.00 1.37 1.19 -0.21 0.44 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 0.00 131 K 8.54 4.46 0.00 1.88 1.69 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.50 7.81 *133 C 8.47 4.84 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.