NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4431 8.0333 110.9612 60.9698 70.1656 172.9566 3 L 3.7924 8.2438 123.3266 53.9620 42.3396 175.1363 4 H 4.3341 9.4840 124.5341 55.2070 31.2250 175.2106 5 K 3.7801 8.7629 128.6732 59.7578 31.8618 176.7995 6 E 4.5225 8.2051 114.2342 56.7949 29.9199 176.3770 7 R 5.0367 8.4765 119.1384 55.6031 31.4671 175.9214 8 R 3.9725 8.0030 118.8357 55.5721 28.7445 175.8789 9 I 3.2541 8.2912 124.1544 63.9004 37.9971 177.2799 10 G 3.4836 7.8639 105.6567 47.8197 0.0000 175.3650 11 R 3.8741 7.8739 121.5421 58.9552 30.1333 178.3606 12 L 3.8565 8.0691 119.2160 57.7628 41.5332 179.7243 13 S 4.0392 7.9366 114.2611 61.2635 62.8974 176.8139 14 V 3.6390 7.7815 121.9173 65.7737 31.1069 178.0307 15 L 3.9525 7.8978 117.9390 57.6048 41.6159 178.9866 16 L 4.0454 7.8248 120.3009 58.0793 41.8396 178.8193 17 L 4.0092 7.7285 119.1801 57.6731 42.1366 177.9909 18 L 4.2891 7.7630 116.0805 55.2106 42.3752 178.0840 19 N 4.9221 7.8990 125.1111 53.0630 38.6529 177.3699 *24 S 4.2489 8.6192 122.6464 58.4234 64.4479 173.7081 25 T 3.4939 7.6273 112.3732 65.1227 65.2218 172.2292 26 Q 4.1499 7.6423 123.8216 57.8654 29.6557 176.8980 27 V 3.6597 7.8304 121.7343 66.6426 31.6190 178.1042 28 E 4.0090 7.8843 117.7685 61.0421 29.6091 180.6461 29 E 4.1234 8.1644 120.1501 59.1318 29.7874 178.5448 30 L 4.1818 8.0599 118.8837 58.2298 41.7150 179.5737 31 E 4.8248 8.8827 120.2034 59.1234 29.1435 179.6674 32 R 3.9948 8.4603 117.6626 59.0078 30.1723 177.8571 33 D 4.7161 7.9260 116.1575 54.3912 41.0788 177.2821 34 G 3.8949 8.1691 108.8123 44.5166 0.0000 174.1835 35 W 4.6832 8.1664 120.2220 56.4854 30.7613 175.3619 36 K 4.8610 9.1393 122.9291 55.0563 33.2699 175.7387 37 V 4.9817 8.4977 124.4958 61.3338 34.8003 174.1669 38 C 4.8926 8.8970 125.3288 57.9542 35.1669 172.5987 39 L 5.1357 8.4946 124.8344 53.3545 45.2064 175.8100 40 G 3.4476 7.8027 108.4399 45.5077 0.0000 171.5076 41 K 5.2004 7.9785 117.8788 55.5979 35.4182 175.9298 42 V 4.6508 9.1353 122.3475 60.4949 35.1682 173.6022 43 G 4.4195 8.2635 108.7638 44.8369 0.0000 171.2951 44 S 4.6285 8.4574 116.9180 58.4347 66.9901 176.4390 45 M 4.4267 8.1854 118.9533 54.7905 32.6443 175.1001 46 D 5.0259 8.1484 120.0845 51.8397 43.1128 176.6107 47 A 3.9862 8.6772 127.3988 55.3796 18.2680 178.7069 48 H 4.1571 8.1483 113.1404 58.8074 28.4686 177.9003 49 K 3.9856 7.7524 121.2895 59.0400 31.9499 179.5333 50 V 3.5351 7.5060 118.1745 65.9764 31.5753 177.9363 51 I 3.5699 7.8745 119.4279 64.3464 36.9070 178.2932 52 A 3.9793 8.3418 121.6133 55.0290 18.1520 179.4908 53 A 3.9719 8.0415 119.2457 55.4650 18.4721 179.9743 54 I 2.8836 7.2516 117.9008 64.0219 36.9861 178.3956 55 E 3.8614 8.0440 120.1232 59.5820 29.5402 178.8788 56 T 3.8534 8.2627 115.9446 66.7492 68.5767 176.4668 57 A 4.0945 8.2859 122.6564 55.3276 18.3449 179.9031 58 S 4.1641 8.1836 113.7586 61.6972 62.7700 177.0133 59 K 4.2286 8.3758 121.2577 59.0258 31.6534 179.6803 60 K 4.0297 8.1138 118.5317 59.3877 32.0454 178.3133 61 S 4.2524 8.1653 110.9885 58.7249 63.2602 174.9632 62 G 3.9251 7.8223 109.4916 46.1763 0.0000 175.0397 63 V 3.8054 8.0385 121.8478 64.8114 31.6988 176.1847 64 I 4.8693 7.2655 110.3130 58.4656 40.6059 174.7001 65 Q 4.1453 9.8748 122.2125 56.4321 28.9705 177.4702 66 S 4.3295 8.6377 117.8268 60.5530 63.4555 174.5225 67 E 4.3643 8.0023 118.5755 55.9496 30.7105 176.5671 68 G 4.0124 8.5752 108.2548 46.2666 0.0000 173.0296 69 Y 4.7188 8.1789 117.0771 59.9006 39.7984 177.2724 70 R 3.4895 7.7337 117.8544 59.8112 30.6508 177.7433 71 E 3.9827 8.0388 117.9601 59.3494 29.5898 179.5584 72 S 4.1800 7.9637 115.0302 61.5589 63.0780 175.9356 73 H 3.8220 8.3636 121.2083 58.9807 29.5168 177.1925 74 A 3.8765 7.7931 122.5935 55.0784 18.1288 179.3981 75 L 3.8729 7.9545 118.8707 58.2279 42.0611 178.4196 76 Y 3.9598 8.2213 119.7612 61.2598 38.7810 178.0864 77 H 4.0158 8.1736 116.3025 58.5341 28.7457 177.7438 78 A 4.0233 7.8941 122.9083 55.3284 18.1138 179.8380 79 T 3.7183 8.1050 114.7095 66.8204 68.2287 176.7990 80 M 3.8068 7.6320 119.8377 58.4555 32.3083 178.3589 81 E 4.1673 8.2453 118.3705 59.3982 29.7091 179.3280 82 A 3.9917 8.0973 120.8112 55.0804 18.3665 179.6734 83 L 3.9771 8.0417 117.4333 57.8910 41.4945 179.4035 84 H 4.2483 8.0277 116.4090 58.7267 28.3672 177.9727 85 G 3.6749 7.9906 106.3478 47.5244 0.0000 175.6033 86 V 4.2590 7.8212 120.9486 65.2928 31.8274 177.5091 87 T 4.1334 8.4745 109.1839 61.3741 70.0183 174.5425 88 R 3.8228 9.0669 120.4145 56.5382 28.1921 174.4239 89 G 3.7054 7.6071 111.1867 45.4106 0.0000 173.2406 90 E 4.5128 7.7840 120.4183 54.2616 32.4677 176.7676 91 M 4.4143 8.3733 127.2337 53.9254 31.0703 175.5427 92 L 4.8675 7.2824 118.3366 52.9438 46.6111 174.8593 93 L 4.4308 8.1569 118.9457 55.1057 44.5520 178.7521 94 G 3.7579 7.3018 112.0073 49.1547 0.0000 175.9433 95 S 4.1423 8.0945 112.9410 60.1019 63.1204 174.6628 96 L 4.5629 7.6966 120.4693 53.9063 41.9347 175.9083 97 L 3.6597 7.9511 118.2022 55.9063 40.8451 173.9213 98 R 4.9805 7.6280 111.0024 54.8381 33.2200 174.6412 99 T 4.8753 8.9944 114.5414 60.2878 71.5000 172.7805 100 V 4.9436 8.6227 124.6648 59.7697 35.2745 174.7428 101 G 4.3187 9.1031 110.3301 44.6967 0.0000 171.6659 102 L 5.4239 9.3227 126.1226 52.4718 46.1546 175.7393 103 R 5.0486 8.9117 121.2365 54.6504 33.2331 174.4137 104 F 5.6492 8.7939 119.1838 55.4213 42.0554 173.0711 105 A 5.2293 9.1408 120.6955 50.3625 22.9689 175.1861 106 V 4.8111 9.1251 121.1766 60.9915 34.6867 174.0135 107 L 5.3233 8.9232 129.6211 53.2222 45.3044 174.8638 108 R 5.2141 10.0153 125.9718 53.7754 33.4841 174.8844 109 G 4.0219 8.4123 112.1763 46.6015 0.0000 170.1059 110 N 5.5222 8.0504 119.2872 51.7139 39.3734 173.1432 111 P 5.0624 0.0000 0.0000 62.5705 32.2342 175.1756 112 Y 4.8418 8.2574 117.4536 56.5407 39.6269 175.6683 113 E 4.1654 9.0173 121.6417 59.0914 30.0982 178.0068 114 S 4.4477 7.9874 114.2149 57.1796 63.1141 174.2519 115 E 4.0751 8.8134 128.0223 58.3917 29.6926 177.8412 116 A 4.2181 7.6185 120.1248 54.2827 18.5406 178.1828 117 E 4.0932 8.1281 114.5418 56.6813 29.9865 178.6006 118 G 3.9909 7.5393 107.9198 45.0472 0.0000 172.6499 119 D 5.1049 8.3308 117.5347 53.9162 42.6461 175.8201 120 W 5.3449 9.5106 120.8814 55.0029 34.0124 173.9905 121 I 5.3682 9.6685 121.2104 59.3492 41.3464 173.7793 122 A 5.2134 9.1440 129.5325 50.1060 22.2713 174.8888 123 V 4.7694 8.8788 122.5606 61.1850 34.1883 174.5175 124 S 5.1420 9.1292 123.9629 56.6566 66.4844 173.1646 125 L 5.3631 8.7749 122.9557 53.2345 45.6143 175.0252 126 Y 5.2745 8.6762 123.4197 55.6257 42.4355 174.1276 127 G 3.8545 7.0359 114.5277 46.2880 0.0000 171.8049 128 T 5.0821 7.9315 112.8105 59.8592 72.7134 173.4316 129 I 4.8901 8.4513 122.5408 59.6420 41.9666 174.7713 130 G 4.1610 8.1647 112.7570 46.1570 0.0000 172.3748 131 A 4.6761 8.4259 121.8365 50.3610 19.1386 177.4536 132 P 4.5922 0.0000 0.0000 61.3557 29.9818 177.2490 133 I 4.4251 7.0225 119.1418 59.5054 41.7066 174.9768 134 K 4.1101 8.6214 127.1455 57.9424 32.4918 174.6838 135 G 4.2153 8.9445 114.5813 45.9816 0.0000 174.3445 136 L 4.5517 7.6421 121.0698 52.5008 39.6922 175.6469 137 E 5.0893 7.6944 118.1120 55.7683 33.0510 174.5190 138 H 5.0715 8.7147 115.1005 53.7908 32.6497 172.5617 139 E 4.6958 8.8110 117.9869 57.0864 30.3038 176.4773 140 T 4.9016 8.9294 115.6313 60.9163 71.3640 172.2914 141 F 5.4079 8.7107 127.2815 57.1590 43.2018 173.6993 142 G 4.4085 7.6021 107.9422 46.1992 0.0000 172.4440 143 V 4.9044 8.4911 123.6830 60.8907 34.6330 174.5882 144 G 4.3151 9.2098 114.6516 44.4577 0.0000 171.5853 145 I 5.3683 8.3976 123.5584 59.5778 40.7067 174.1653 146 N 5.2135 9.4011 123.7369 52.5189 42.9139 172.8990 147 H 3.7118 8.0625 117.9559 54.6886 30.1110 174.9922 148 I 4.0147 7.8746 119.7104 61.4629 37.7685 174.3823 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 2 T 8.03 4.44 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 3 L 8.24 3.79 0.00 1.60 1.42 0.76 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.48 4.33 0.00 3.18 3.23 0.00 5.81 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 5 K 8.76 3.78 0.00 1.69 1.79 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 6 E 8.21 4.52 0.00 2.16 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 2.32 2.37 0.00 7 R 8.48 5.04 0.00 1.87 2.16 0.00 2.98 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 8 R 8.00 3.97 0.00 1.81 1.83 0.00 3.11 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 9 I 8.29 3.25 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 0.93 0.00 0.00 10 G 7.86 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.87 0.00 1.85 2.03 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 12 L 8.07 3.86 0.00 1.31 1.34 0.55 0.75 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 13 S 7.94 4.04 0.00 4.00 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 14 V 7.78 3.64 2.28 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 1.30 0.00 0.00 1.12 0.00 0.00 15 L 7.90 3.95 0.00 1.74 1.67 0.88 1.10 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 16 L 7.82 4.05 0.00 1.78 1.78 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.73 4.01 0.00 1.85 1.89 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.76 4.29 0.00 1.57 1.54 0.73 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.90 4.92 0.00 2.83 2.28 0.00 0.00 6.83 8.92 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 *24 S 8.62 4.25 0.00 3.85 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 25 T 7.63 3.49 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 1.25 0.00 0.00 26 Q 7.64 4.15 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 27 V 7.83 3.66 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 0.99 0.00 0.00 0.92 0.00 0.00 28 E 7.88 4.01 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 29 E 8.16 4.12 0.00 2.04 2.16 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 2.55 2.44 0.00 30 L 8.06 4.18 0.00 1.94 1.79 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.88 4.82 0.00 2.15 2.05 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 2.41 2.55 0.00 32 R 8.46 3.99 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 33 D 7.93 4.72 0.00 3.05 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 34 G 8.17 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 0.00 0.00 0.00 35 W 8.17 4.68 0.00 3.37 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 36 K 9.14 4.86 0.00 1.88 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 37 V 8.50 4.98 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 0.79 0.00 0.00 1.00 0.00 0.00 38 C 8.90 4.89 0.00 3.08 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 39 L 8.49 5.14 0.00 1.43 1.35 0.88 0.86 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 40 G 7.80 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.98 5.20 0.00 1.68 1.63 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.36 7.81 42 V 9.14 4.65 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 0.84 0.00 0.00 0.96 0.00 0.00 43 G 8.26 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 0.00 0.00 0.00 0.00 44 S 8.46 4.63 0.00 3.84 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 45 M 8.19 4.43 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 46 D 8.15 5.03 0.00 2.46 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 0.00 0.00 0.00 0.00 47 A 8.68 3.99 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 48 H 8.15 4.16 0.00 3.43 3.61 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.75 3.99 0.00 1.93 1.86 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.19 7.81 50 V 7.51 3.54 2.16 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 0.97 0.00 0.00 0.89 0.00 0.00 51 I 7.87 3.57 2.05 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 1.32 0.52 0.97 0.00 0.00 52 A 8.34 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.04 3.97 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 54 I 7.25 2.88 1.68 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.28 0.62 0.00 0.00 55 E 8.04 3.86 0.00 2.14 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 0.00 2.33 2.38 0.00 56 T 8.26 3.85 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 1.24 0.00 0.00 57 A 8.29 4.09 1.62 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 58 S 8.18 4.16 0.00 4.12 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 59 K 8.38 4.23 0.00 1.82 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.68 7.81 60 K 8.11 4.03 0.00 2.01 1.90 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.40 7.81 61 S 8.17 4.25 0.00 4.03 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 62 G 7.82 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 63 V 8.04 3.81 2.26 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 0.88 0.00 0.00 1.00 0.00 0.00 64 I 7.27 4.87 1.96 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 1.44 0.86 0.93 0.00 0.00 65 Q 9.87 4.15 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 66 S 8.64 4.33 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.00 4.36 0.00 1.96 1.88 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 2.27 2.25 0.00 68 G 8.58 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 69 Y 8.18 4.72 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 3.49 0.00 1.90 1.82 0.00 3.21 0.00 0.00 3.31 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 71 E 8.04 3.98 0.00 2.04 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 2.37 2.38 0.00 72 S 7.96 4.18 0.00 4.09 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 0.00 73 H 8.36 3.82 0.00 1.85 3.06 0.00 5.59 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 74 A 7.79 3.88 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 75 L 7.95 3.87 0.00 1.78 1.82 0.90 0.64 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 76 Y 8.22 3.96 0.00 3.14 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 77 H 8.17 4.02 0.00 3.19 3.29 0.00 5.67 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 78 A 7.89 4.02 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 79 T 8.11 3.72 4.12 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 1.01 0.00 0.00 80 M 7.63 3.81 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 81 E 8.25 4.17 0.00 2.16 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 2.36 2.60 0.00 82 A 8.10 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.04 3.98 0.00 1.74 1.63 0.78 1.01 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 84 H 8.03 4.25 0.00 3.47 3.36 0.00 5.81 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 85 G 7.99 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.82 4.26 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 0.92 0.00 0.00 0.92 0.00 0.00 87 T 8.47 4.13 4.50 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 0.00 0.00 1.21 0.00 0.00 88 R 9.07 3.82 0.00 1.94 2.01 0.00 3.19 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 89 G 7.61 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 90 E 7.78 4.51 0.00 1.91 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 2.20 2.20 0.00 91 M 8.37 4.41 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 92 L 7.28 4.87 0.00 1.60 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.16 4.43 0.00 1.74 1.56 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.30 3.76 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 0.00 0.00 0.00 95 S 8.09 4.14 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 96 L 7.70 4.56 0.00 1.75 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.95 3.66 0.00 1.69 1.67 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.63 4.98 0.00 1.87 1.80 0.00 3.01 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 99 T 8.99 4.88 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 0.00 100 V 8.62 4.94 2.05 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 0.66 0.00 0.00 0.98 0.00 0.00 101 G 9.10 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 0.00 0.00 0.00 0.00 102 L 9.32 5.42 0.00 1.69 1.58 0.91 0.48 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 0.00 103 R 8.91 5.05 0.00 1.98 1.79 0.00 3.05 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 104 F 8.79 5.65 0.00 3.10 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 0.00 105 A 9.14 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.13 4.81 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 0.98 0.00 0.00 1.00 0.00 0.00 107 L 8.92 5.32 0.00 1.69 1.38 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.02 5.21 0.00 1.99 1.85 0.00 3.60 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 109 G 8.41 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 0.00 0.00 0.00 110 N 8.05 5.52 0.00 2.83 2.67 0.00 0.00 6.88 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 0.00 111 P 0.00 5.06 0.00 1.91 2.36 0.00 4.01 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.68 0.00 112 Y 8.26 4.84 0.00 3.01 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 0.00 113 E 9.02 4.17 0.00 2.00 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 0.00 2.41 2.52 0.00 114 S 7.99 4.45 0.00 3.88 3.75 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 0.00 115 E 8.81 4.08 0.00 2.01 1.93 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 2.37 2.24 0.00 116 A 7.62 4.22 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 0.00 117 E 8.13 4.09 0.00 2.38 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 0.00 2.37 1.94 0.00 118 G 7.54 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 0.00 119 D 8.33 5.10 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 120 W 9.51 5.34 0.00 3.52 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 0.00 121 I 9.67 5.37 1.94 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 1.20 2.00 1.00 0.00 0.00 122 A 9.14 5.21 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 0.00 123 V 8.88 4.77 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 0.97 0.00 0.00 0.89 0.00 0.00 124 S 9.13 5.14 0.00 3.71 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 0.00 125 L 8.77 5.36 0.00 1.37 1.47 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.68 5.27 0.00 3.22 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 0.00 127 G 7.04 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 0.00 0.00 0.00 128 T 7.93 5.08 4.18 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 1.13 0.00 0.00 129 I 8.45 4.89 1.83 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 1.11 1.57 0.87 0.00 0.00 130 G 8.16 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 0.00 0.00 0.00 131 A 8.43 4.68 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 0.00 132 P 0.00 4.59 0.00 2.05 2.03 0.00 3.68 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 2.01 2.09 0.00 133 I 7.02 4.43 1.86 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 1.29 0.82 0.91 0.00 0.00 134 K 8.62 4.11 0.00 1.68 1.72 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 135 G 8.94 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 0.00 0.00 0.00 0.00 136 L 7.64 4.55 0.00 1.64 1.63 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.69 5.09 0.00 1.99 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 2.35 2.28 0.00 138 H 8.71 5.07 0.00 3.21 3.42 0.00 5.46 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.81 4.70 0.00 2.00 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 2.44 2.39 0.00 140 T 8.93 4.90 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 1.19 0.00 0.00 141 F 8.71 5.41 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.60 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 0.00 143 V 8.49 4.90 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 0.83 0.00 0.00 0.82 0.00 0.00 144 G 9.21 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 0.00 0.00 0.00 0.00 145 I 8.40 5.37 2.00 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 1.31 0.77 1.21 0.00 0.00 146 N 9.40 5.21 0.00 2.80 2.54 0.00 0.00 6.74 8.71 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 0.00 147 H 8.06 3.71 0.00 2.18 1.31 0.00 5.57 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.87 4.01 1.79 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 1.04 0.70 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.