NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.3798 8.3301 115.2917 58.2847 63.5147 172.7200 26 A 4.2243 8.4097 127.3444 51.6383 21.5766 174.1644 27 N 4.4285 9.2821 118.6685 53.9139 38.7471 172.5994 28 A 4.7518 6.8139 114.3806 51.7065 22.1220 177.6105 29 A 4.3029 7.1306 131.1140 52.2091 19.6330 178.7230 30 D 5.0569 8.8481 113.9248 55.2029 38.7446 172.8638 31 S 4.4526 6.5456 110.0808 56.8697 66.2146 174.1854 32 G 4.1022 7.6593 108.8523 46.7334 0.0000 171.5676 33 T 4.9457 8.6108 110.8893 60.8176 68.8709 174.3233 34 L 4.5488 8.7677 129.5110 53.6573 44.6435 175.1921 35 N 5.0167 8.3625 119.6904 53.5602 39.7401 173.9159 36 Y 5.2242 8.6885 118.3657 57.1698 40.9663 172.5964 37 E 3.9414 9.2112 121.5459 55.6651 33.7299 173.2641 38 V 4.7825 7.3693 112.4470 60.4646 36.2683 174.1429 39 Y 4.8071 8.7043 117.6505 56.2533 43.0951 174.7886 40 K 4.4921 8.3869 122.3024 56.3799 33.2008 176.0235 41 Y 4.3418 8.8784 128.4244 59.2766 39.1686 175.7582 42 N 4.3102 8.6482 122.2238 54.0457 38.1279 173.4385 43 T 4.6582 7.7045 105.5957 61.4985 71.3848 173.8891 44 N 4.8132 8.7280 119.8842 53.0926 40.7306 173.6298 45 D 5.0748 8.5385 118.9758 52.5427 43.8962 175.3086 46 T 3.9461 8.8512 120.9013 64.5188 68.7505 173.8269 47 S 4.6304 8.6459 117.6033 57.7592 63.8886 173.2370 48 I 4.5041 7.0944 118.6819 62.1017 40.3660 176.6474 49 A 3.8299 8.1935 123.4472 55.5701 18.5034 178.9990 50 N 4.4604 8.2212 112.5830 56.0112 39.0938 174.8021 51 D 4.4784 8.4128 117.5099 54.5291 40.4009 176.4954 52 Y 4.5659 7.7988 114.4476 57.6475 40.1896 174.5403 53 F 5.1028 7.8424 118.2256 55.6791 40.9784 174.5460 54 N 4.8140 8.8695 123.4064 52.9155 39.2833 174.3540 55 K 4.9872 8.0780 117.4611 55.0109 35.5350 174.1527 56 P 4.8419 0.0000 0.0000 62.3361 33.2262 174.6055 57 A 4.4668 7.9276 120.0249 50.4570 22.0602 175.7701 58 K 5.0523 8.1450 120.0033 55.2421 33.8097 175.2788 59 Y 5.0188 9.0379 126.3128 56.2044 40.8859 174.2270 60 I 4.2700 7.9309 118.1408 59.9897 42.0030 173.2551 61 K 5.0073 8.8883 126.0622 54.6582 36.3973 177.2235 62 K 4.5510 8.7627 118.4573 57.1810 33.6655 177.6870 63 N 3.9382 9.1632 112.3574 53.6237 35.7257 174.5943 64 G 3.9463 9.8204 106.6126 44.4599 0.0000 170.4779 65 K 4.1656 7.1956 116.3066 55.9159 34.7979 173.4302 66 L 4.2573 6.5058 116.9354 55.8568 42.9712 172.8554 67 Y 5.0181 8.1704 118.3456 57.5618 42.4198 173.9156 68 V 4.6623 8.3393 116.9740 63.2240 34.8155 172.5403 69 Q 4.9775 9.1579 126.6809 54.9245 30.6974 174.2087 70 I 4.5765 8.6864 123.5725 59.5116 40.9227 174.2281 71 T 4.8969 8.6966 124.8077 62.9362 69.8510 174.0779 72 V 4.5321 9.5596 127.2780 61.4289 33.5850 173.7443 73 N 4.8894 8.4717 126.1661 53.3995 40.2329 172.6069 74 H 3.5077 8.6629 124.3351 55.9077 26.3254 175.3264 75 S 4.1710 7.7830 119.1280 61.1948 62.5220 176.0706 76 H 4.3414 7.9409 116.3521 58.3475 28.4351 176.2474 77 W 4.8218 8.1324 118.1816 58.7281 29.6486 175.6726 78 I 4.5739 7.4614 118.2753 60.5968 37.4157 175.1854 79 T 4.2768 8.6381 124.7506 64.0637 67.9293 174.0330 80 G 4.1904 7.7635 106.1774 46.9643 0.0000 171.5769 81 M 5.3244 9.1703 118.7125 54.6892 36.7235 174.9445 82 S 5.1425 9.3949 113.6729 58.1248 66.4463 173.6503 83 I 4.0056 7.8513 122.2672 60.4182 40.2202 176.0012 84 E 3.7454 8.6111 123.0261 56.3815 29.0508 174.7031 85 G 4.1932 8.3934 104.9134 46.2475 0.0000 173.0345 86 H 4.9926 8.0023 113.2244 52.9943 31.6530 172.9466 87 K 4.3764 8.4388 120.4198 56.2567 32.7418 175.8608 88 E 4.3628 8.3877 117.9914 54.9746 31.9553 174.4473 89 N 4.9615 7.4088 116.5703 51.0062 41.1619 174.5615 90 I 3.6337 8.4059 117.1602 61.5609 37.0705 174.9989 91 I 4.0111 8.0742 128.5829 62.9789 39.5281 175.6660 92 S 4.3834 7.7080 113.8841 57.8940 65.8747 174.1332 93 K 4.2365 8.6220 126.8001 54.9784 32.8053 175.3778 94 N 4.7545 9.1308 129.3793 52.3861 39.2419 175.6462 95 T 4.0571 8.5420 117.9913 64.1579 69.7821 177.0437 96 A 3.9105 8.1364 124.1712 54.8340 18.4313 178.0847 97 K 4.2721 7.9998 111.3781 55.4928 32.5244 176.2327 98 D 4.2592 7.6639 118.3378 54.8460 38.8742 173.9658 99 E 5.3613 8.7327 117.8568 54.9357 34.3000 176.4705 100 R 5.4806 8.6718 123.9578 54.1670 34.2145 174.1056 101 T 5.7132 8.4142 116.4629 61.2601 73.3954 173.2280 102 S 5.3409 8.3202 116.8196 56.3025 66.6068 172.2773 103 E 4.7892 8.3855 123.0774 55.2513 31.5861 174.5556 104 F 5.3754 9.1406 124.2590 55.7676 43.0859 173.3372 105 E 5.1360 9.1551 124.0319 54.9250 30.6599 175.3064 106 V 4.5492 7.7992 124.8699 59.9294 35.0278 174.4891 107 S 3.9101 8.7974 117.0347 59.1485 62.2574 174.7312 108 K 3.5572 8.5217 128.1867 57.6754 31.7523 175.0099 109 L 4.8078 7.7343 112.6563 55.2186 40.9510 175.0935 110 N 5.5599 7.9028 123.1101 50.9062 41.0308 174.5377 111 G 4.5075 7.6476 119.2815 45.6794 0.0000 173.2270 112 K 5.5678 8.2110 120.3138 56.4835 35.0716 173.6837 113 I 4.7505 8.1506 120.8631 59.6025 42.1595 174.5346 114 D 4.7940 8.9380 125.0020 54.5941 40.9990 175.7448 115 G 4.0503 8.7699 111.3096 44.4294 0.0000 170.4381 116 K 4.7385 9.4820 118.8865 55.4015 37.1968 175.4089 117 I 4.8229 9.0726 120.0113 60.4410 41.7991 172.9165 118 D 5.3276 8.5735 125.6451 52.7976 44.2892 175.4154 119 V 4.9117 8.3333 119.1122 61.9369 35.8054 173.7475 120 Y 5.2578 8.5099 125.8089 56.9189 41.6347 173.9959 121 I 4.9705 10.0179 128.2834 60.2003 42.3815 174.7918 122 D 4.5922 8.2061 123.4864 53.2938 40.1616 173.9040 123 E 4.8038 8.4644 122.3286 56.1083 33.6616 175.5669 124 K 4.5780 8.7408 120.5437 55.4555 31.6784 177.9714 125 V 3.7979 9.3009 126.8144 62.9139 29.9307 175.2290 126 N 4.2471 9.3987 128.6788 54.4042 36.9628 174.2432 127 G 3.8281 9.4562 99.9380 45.5850 0.0000 174.5523 128 K 4.2891 7.7347 120.4596 53.6514 34.1916 173.8006 129 P 4.5685 0.0000 0.0000 63.1624 31.4622 175.7814 130 F 5.1097 9.6435 127.2362 56.3309 41.3382 173.9877 131 K 4.4055 8.6134 127.3472 55.0894 34.2582 174.9849 132 Y 4.6435 8.0787 126.9805 57.0869 42.4812 173.2075 133 D 4.8439 7.9450 121.9811 53.9790 40.5376 174.1562 134 H 4.1576 7.1577 123.4082 55.9463 33.6286 171.5021 135 H 5.2339 7.9773 115.3211 54.8768 29.1276 173.8743 136 Y 4.8219 8.0255 122.4753 57.2072 40.5004 173.2256 137 N 5.3657 8.4184 116.6908 52.4738 40.2767 173.1517 138 I 4.5590 7.7263 110.2317 60.3104 41.6830 173.4763 139 T 4.9929 8.9118 120.1292 63.0764 69.8535 174.3073 140 Y 4.2802 8.9709 124.3743 57.0615 40.2537 175.1649 141 K 5.2467 8.6639 122.9846 54.4957 35.0332 175.1745 142 F 5.1587 8.6077 126.2918 56.9254 41.2311 175.4242 143 N 5.0275 9.7747 119.0825 52.3563 41.2472 172.9549 144 G 4.1314 8.6757 116.8366 44.8249 0.0000 168.2513 145 P 4.6862 0.0000 0.0000 63.4534 31.7557 174.3672 146 T 4.6620 8.3724 104.7665 63.2677 73.2165 172.6101 147 D 4.5526 7.1909 117.9075 50.2746 44.9386 175.1467 148 V 3.2939 7.6915 119.1486 63.1994 29.7540 173.6847 149 A 4.3910 7.5983 115.6632 52.1236 20.1128 176.8869 *150 G 3.7361 8.2406 114.3627 47.4612 0.0000 173.6797 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 25 S 8.33 4.38 0.00 3.86 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 26 A 8.41 4.22 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 27 N 9.28 4.43 0.00 2.83 2.88 0.00 0.00 6.85 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 28 A 6.81 4.75 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 29 A 7.13 4.30 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 30 D 8.85 5.06 0.00 2.79 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 31 S 6.55 4.45 0.00 3.53 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 32 G 7.66 4.10 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 0.00 0.00 0.00 33 T 8.61 4.95 4.31 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 1.26 0.00 0.00 34 L 8.77 4.55 0.00 1.59 1.56 -0.27 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.36 5.02 0.00 3.00 2.80 0.00 0.00 6.93 7.40 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 36 Y 8.69 5.22 0.00 3.39 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 37 E 9.21 3.94 0.00 1.71 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 38 V 7.37 4.78 1.77 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 -0.01 0.00 0.00 0.71 0.00 0.00 39 Y 8.70 4.81 0.00 2.89 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 40 K 8.39 4.49 0.00 2.19 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.58 7.81 41 Y 8.88 4.34 0.00 2.94 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 42 N 8.65 4.31 0.00 2.95 2.96 0.00 0.00 6.81 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 43 T 7.70 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 1.31 0.00 0.00 44 N 8.73 4.81 0.00 2.58 2.59 0.00 0.00 6.45 7.98 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 45 D 8.54 5.07 0.00 2.72 2.60 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 46 T 8.85 3.95 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 1.02 0.00 0.00 47 S 8.65 4.63 0.00 3.80 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 48 I 7.09 4.50 1.91 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 1.35 0.88 0.97 0.00 0.00 49 A 8.19 3.83 1.56 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 0.00 0.00 50 N 8.22 4.46 0.00 2.55 2.80 0.00 0.00 6.87 8.38 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 51 D 8.41 4.48 0.00 2.12 1.63 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 52 Y 7.80 4.57 0.00 2.34 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 53 F 7.84 5.10 0.00 3.05 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 54 N 8.87 4.81 0.00 2.83 2.87 0.00 0.00 6.98 7.63 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 55 K 8.08 4.99 0.00 1.97 1.89 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 P 0.00 4.84 0.00 2.53 2.28 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 A 7.93 4.47 0.07 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 0.00 0.00 58 K 8.15 5.05 0.00 1.95 1.67 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 59 Y 9.04 5.02 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 60 I 7.93 4.27 1.69 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 0.93 1.00 0.00 0.00 61 K 8.89 5.01 0.00 1.56 1.76 0.00 1.85 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.34 7.81 62 K 8.76 4.55 0.00 1.77 1.76 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 63 N 9.16 3.94 0.00 2.80 2.81 0.00 0.00 7.48 7.66 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 64 G 9.82 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 65 K 7.20 4.17 0.00 1.72 1.80 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.39 7.81 66 L 6.51 4.26 0.00 1.75 1.61 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.17 5.02 0.00 2.85 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 68 V 8.34 4.66 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 1.32 0.00 0.00 0.79 0.00 0.00 69 Q 9.16 4.98 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 70 I 8.69 4.58 2.24 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 1.24 0.00 0.00 71 T 8.70 4.90 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 1.44 0.00 0.00 72 V 9.56 4.53 2.29 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 1.06 0.00 0.00 1.17 0.00 0.00 73 N 8.47 4.89 0.00 2.89 2.83 0.00 0.00 7.35 7.73 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 74 H 8.66 3.51 0.00 3.25 2.65 0.00 5.86 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.78 4.17 0.00 3.85 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 76 H 7.94 4.34 0.00 3.05 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.13 4.82 0.00 3.65 3.11 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 78 I 7.46 4.57 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 1.06 0.00 0.00 79 T 8.64 4.28 4.42 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 1.37 0.00 0.00 80 G 7.76 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 M 9.17 5.32 0.00 2.30 2.63 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.83 0.00 82 S 9.39 5.14 0.00 3.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.01 0.60 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.36 0.81 0.00 0.00 84 E 8.61 3.75 0.00 2.17 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 2.19 2.38 0.00 85 G 8.39 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 86 H 8.00 4.99 0.00 3.33 3.37 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.44 4.38 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 88 E 8.39 4.36 0.00 1.22 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 2.16 0.00 89 N 7.41 4.96 0.00 2.54 2.64 0.00 0.00 7.13 7.12 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 90 I 8.41 3.63 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 1.21 0.36 0.90 0.00 0.00 91 I 8.07 4.01 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 1.17 0.79 0.92 0.00 0.00 92 S 7.71 4.38 0.00 3.75 3.73 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 93 K 8.62 4.24 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 94 N 9.13 4.75 0.00 2.84 2.71 0.00 0.00 6.74 7.20 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 95 T 8.54 4.06 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 1.21 0.00 0.00 96 A 8.14 3.91 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 97 K 8.00 4.27 0.00 1.74 1.83 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.43 7.81 98 D 7.66 4.26 0.00 2.68 2.47 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 99 E 8.73 5.36 0.00 1.82 1.82 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 2.24 2.25 0.00 100 R 8.67 5.48 0.00 1.88 1.80 0.00 3.20 0.00 0.00 3.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 101 T 8.41 5.71 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 1.25 0.00 0.00 102 S 8.32 5.34 0.00 3.40 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 E 8.39 4.79 0.00 1.92 1.66 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 2.29 2.22 0.00 104 F 9.14 5.38 0.00 3.17 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 0.00 105 E 9.16 5.14 0.00 2.23 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 2.27 2.56 0.00 106 V 7.80 4.55 2.19 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 0.57 0.00 0.00 1.15 0.00 0.00 107 S 8.80 3.91 0.00 3.85 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 0.00 108 K 8.52 3.56 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.54 7.81 109 L 7.73 4.81 0.00 1.74 1.39 0.83 0.11 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 0.00 110 N 7.90 5.56 0.00 2.84 2.74 0.00 0.00 7.19 8.00 0.00 0.00 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 G 7.65 4.51 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 0.00 112 K 8.21 5.57 0.00 1.87 1.77 0.00 1.04 0.00 0.00 2.33 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.39 7.81 113 I 8.15 4.75 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.88 0.00 0.00 114 D 8.94 4.79 0.00 2.77 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 0.00 115 G 8.77 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 0.00 116 K 9.48 4.74 0.00 1.51 1.63 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.37 7.81 117 I 9.07 4.82 2.08 0.00 0.00 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 1.41 1.49 1.07 0.00 0.00 118 D 8.57 5.33 0.00 2.69 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 0.00 119 V 8.33 4.91 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 1.45 0.00 0.00 1.21 0.00 0.00 120 Y 8.51 5.26 0.00 3.07 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 0.00 121 I 10.02 4.97 1.61 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 1.77 1.24 1.02 0.00 0.00 122 D 8.21 4.59 0.00 2.60 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 0.00 123 E 8.46 4.80 0.00 2.04 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 2.22 2.36 0.00 124 K 8.74 4.58 0.00 1.81 1.92 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.46 7.81 125 V 9.30 3.80 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 0.80 0.00 0.00 0.94 0.00 0.00 126 N 9.40 4.25 0.00 2.88 2.86 0.00 0.00 7.42 7.99 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 0.00 127 G 9.46 3.83 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 0.00 0.00 0.00 128 K 7.73 4.29 0.00 2.21 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 129 P 0.00 4.57 0.00 2.08 2.08 0.00 3.67 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 2.06 2.12 0.00 130 F 9.64 5.11 0.00 2.95 3.09 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 0.00 131 K 8.61 4.41 0.00 1.78 1.64 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.38 7.81 132 Y 8.08 4.64 0.00 2.13 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 0.00 133 D 7.95 4.84 0.00 1.77 1.75 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 0.00 134 H 7.16 4.16 0.00 2.21 2.16 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.98 5.23 0.00 2.84 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.03 4.82 0.00 2.95 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 0.00 137 N 8.42 5.37 0.00 1.79 2.50 0.00 0.00 5.69 7.86 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 0.00 138 I 7.73 4.56 1.75 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 0.61 0.96 0.00 0.00 139 T 8.91 4.99 4.55 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 1.30 0.00 0.00 140 Y 8.97 4.28 0.00 2.94 2.42 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 0.00 141 K 8.66 5.25 0.00 1.81 1.65 0.00 1.81 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.43 7.81 142 F 8.61 5.16 0.00 3.17 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 0.00 143 N 9.77 5.03 0.00 2.68 2.76 0.00 0.00 7.09 7.83 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 0.00 144 G 8.68 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 0.00 145 P 0.00 4.69 0.00 2.17 2.10 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 146 T 8.37 4.66 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 1.25 0.00 0.00 147 D 7.19 4.55 0.00 2.59 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 0.00 148 V 7.69 3.29 2.09 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 0.89 0.00 0.00 0.93 0.00 0.00 149 A 7.60 4.39 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 *150 G 8.24 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.