NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3158 8.3449 118.8280 55.6845 29.9165 174.6135 4 L 4.3105 8.1348 118.9463 52.6198 42.7251 176.1530 5 T 4.2632 9.2466 112.7089 61.4907 71.9603 175.5079 6 E 4.0060 8.5746 121.3194 59.3310 29.4766 179.2128 7 E 3.9460 8.0858 119.2116 59.1261 29.7324 178.5650 8 Q 3.6074 7.8688 117.9956 59.0356 28.7720 178.9425 9 I 3.8158 7.6337 120.3445 64.4061 37.0683 178.3237 10 A 4.0486 8.4668 121.8350 55.3537 18.2194 179.5896 11 E 3.9842 8.2630 117.0951 59.5149 29.4275 179.6671 12 F 4.7904 8.2105 118.0045 60.6577 38.9538 177.9327 13 K 4.4434 8.9373 118.7340 59.4132 31.7859 178.9463 14 E 4.0000 8.7924 119.8052 59.3185 29.3538 178.6339 15 A 4.2284 8.2591 120.7129 55.3389 18.4950 179.2596 16 F 2.9596 8.5446 119.3678 61.2294 39.1898 177.3617 17 S 4.2240 8.4609 112.8944 61.6325 62.6093 176.2163 18 L 4.0675 7.7013 121.4593 57.2322 41.3379 179.0174 19 F 4.2973 7.3678 116.8188 59.2816 40.1739 177.2901 20 D 4.4640 7.7004 120.7037 53.0789 38.3834 176.4706 21 K 3.9680 8.0408 123.1319 58.7392 32.6421 178.0220 22 D 4.4831 8.0537 115.7237 53.0684 39.8129 176.6926 23 G 3.9183 7.7474 107.2976 46.9216 0.0000 174.0206 24 D 4.5762 8.6682 117.2930 52.8548 39.7176 177.2724 25 G 4.2046 9.6772 109.0770 45.6079 0.0000 173.3431 26 T 5.1212 7.9539 108.1892 59.9078 72.4043 173.3368 27 I 4.7067 8.7064 124.4972 60.0843 39.3366 175.9126 28 T 4.6488 8.9830 118.4739 60.6464 70.9024 176.2094 29 T 3.9081 8.5220 112.0032 64.6742 68.7703 176.0434 30 K 3.7991 8.1270 122.0781 59.5623 32.2361 178.3890 31 E 3.9649 8.3448 118.5670 59.2707 29.3554 178.9993 32 L 4.2516 8.5372 121.0292 58.2168 42.0472 179.3252 33 G 3.6188 8.7802 106.2670 47.9991 0.0000 175.8465 34 T 3.8935 7.8742 111.8565 64.2915 68.5872 177.1243 35 V 3.3955 7.3836 119.9837 66.0112 31.8269 177.6149 36 M 4.2391 8.2012 118.5377 58.5597 31.7914 178.9731 37 R 4.7881 8.5180 119.9594 58.8141 30.0167 179.2473 38 S 4.1515 7.8787 112.9466 60.6146 62.6636 175.4847 39 L 4.5214 7.7950 121.5305 54.3582 41.4612 177.7417 40 G 4.0381 8.2079 107.9652 45.1918 0.0000 173.9749 41 Q 4.5725 7.6908 118.7356 55.1835 30.5801 174.7472 42 N 5.2629 8.0909 115.6516 51.5368 38.7773 172.1055 43 P 4.6356 0.0000 0.0000 62.5468 32.9329 177.8439 44 T 4.2705 9.1994 111.7010 60.9255 71.0981 175.3942 45 E 3.8838 8.7599 121.7525 59.7479 29.5131 178.9818 46 A 4.0112 7.9445 119.9777 55.0976 18.4531 179.2556 47 E 3.9250 8.2137 117.1419 59.6484 29.5968 179.6017 48 L 4.0096 8.1234 119.0553 57.8437 41.5894 179.4125 49 Q 4.0109 8.3315 119.6028 59.1304 28.9563 177.9789 50 D 4.3522 8.3024 120.0526 57.5898 40.6536 178.4696 51 M 4.0353 7.9676 118.0274 58.6672 32.3401 178.6750 52 I 3.8881 7.8740 119.6915 64.3915 37.3985 178.0919 53 N 4.3180 8.4659 117.7738 56.5799 38.1712 177.1219 54 E 4.0733 8.0180 118.7085 58.5784 29.5755 178.2364 55 V 4.2696 7.3801 108.4580 60.7421 32.5898 175.9475 56 D 4.5294 7.8357 120.9815 53.5977 39.4726 176.2123 57 A 4.3215 8.5059 128.9999 53.9080 19.0088 178.1169 58 D 4.5715 8.2350 112.7105 52.8203 40.0879 176.8077 59 G 3.8674 7.5685 108.6565 46.9940 0.0000 174.0113 60 N 4.6118 8.4926 114.7755 52.1538 37.6457 175.9985 61 G 3.9821 9.5838 108.6743 45.4928 0.0000 172.8932 62 T 4.7964 7.9633 108.1590 59.9925 72.7275 173.1841 63 I 4.6991 8.3937 122.7105 60.0993 38.8773 176.0124 64 D 5.1811 8.9990 127.7341 52.0717 42.0983 177.3259 65 F 3.3641 8.8473 119.4153 60.9005 39.2930 175.0648 66 P 4.2860 0.0000 0.0000 66.0475 30.9937 178.1438 67 E 4.0629 8.8637 119.9746 58.4612 29.2653 179.0500 68 F 4.0140 8.4427 121.1870 61.1484 39.4559 177.2487 69 L 3.5379 7.7923 119.0211 57.5873 40.7800 179.5830 70 T 3.7880 7.6549 109.5832 64.8373 68.6097 176.3523 71 M 3.8505 7.8184 120.4194 58.5920 32.2151 177.5659 72 M 3.8151 7.4092 117.1302 58.3923 32.4016 177.7478 73 A 4.0811 7.3654 119.4166 53.6152 18.8542 177.7256 74 R 4.0942 7.3843 118.4838 55.8520 31.5875 177.3016 *77 K 4.3209 8.4357 120.0089 55.0999 33.5559 174.8966 78 D 4.5304 8.1944 118.3785 57.4024 40.0217 180.9403 79 T 4.5456 7.7798 118.2115 64.4816 69.3643 175.3419 80 D 4.8172 9.6136 125.2261 53.6285 38.5337 173.0537 81 S 4.5751 7.8886 115.8385 58.3494 65.4491 173.8499 82 E 3.9843 8.6131 121.0719 59.4017 29.3101 177.8064 83 E 3.9523 8.2937 118.8615 59.7247 29.6426 178.6793 84 E 4.2592 7.7760 118.7375 59.4709 29.5117 179.3777 85 I 4.1276 8.0446 119.9680 64.1440 37.2473 178.6087 86 R 4.2314 8.5744 119.4121 59.4198 29.9532 178.8897 87 E 4.0495 8.4334 118.1875 59.4223 29.4888 179.3677 88 A 4.4239 8.2812 122.2057 54.6601 18.4471 179.3590 89 F 3.2483 9.0646 119.6924 61.1630 39.1647 177.3234 90 R 3.8428 8.0075 117.5041 59.3551 29.9798 178.2215 91 V 3.6436 7.3725 116.3332 66.2450 31.5633 177.7713 92 F 4.1101 7.8181 116.0539 59.2546 40.2859 176.4407 93 D 4.6064 7.7287 120.0258 52.7724 37.9967 176.7007 94 K 3.9455 8.0110 122.2318 58.3090 32.7800 177.7938 95 D 4.5640 8.0189 115.9557 52.3813 39.8175 176.7688 96 G 3.9083 8.0407 107.8833 46.8568 0.0000 174.2160 97 N 4.5503 8.5324 115.1875 52.6429 37.6121 175.9896 98 G 3.9257 9.5107 107.8651 45.5553 0.0000 172.9077 99 Y 5.1246 7.8885 116.0451 56.1647 41.8596 175.0266 100 I 4.4134 9.1236 125.9356 60.5931 38.3811 176.0834 101 S 4.7851 9.0188 122.5846 57.2609 64.7951 175.4283 102 A 3.9893 8.7139 121.4816 55.2213 18.0649 179.6759 103 A 3.9634 7.9706 118.7594 55.4426 18.5207 179.6170 104 E 3.9284 8.3309 117.0653 59.2611 29.5075 179.1971 105 L 4.3183 8.4610 123.1817 58.9721 42.2109 179.6995 106 R 3.9828 8.1693 120.4505 61.8252 29.2589 179.7006 107 H 4.1762 8.2611 119.2346 59.2986 29.6998 177.3571 108 V 3.4253 7.9531 119.4920 66.2075 31.3404 177.5991 109 M 4.0633 8.2102 118.4951 59.0216 31.7401 178.9333 110 T 4.6138 7.9468 116.8056 66.3572 68.4004 176.3812 111 N 4.2822 8.0278 117.4206 56.3448 38.6174 177.1089 112 L 4.1471 7.8421 119.4607 55.8086 41.8949 177.1396 113 G 3.7026 7.1196 105.1047 45.0765 0.0000 173.5342 114 E 4.3322 8.7342 125.5152 55.7926 30.3731 175.7514 115 K 4.6797 8.6082 127.4511 52.8830 33.2050 172.7246 116 L 4.9935 8.2288 124.8767 51.9997 43.9270 177.5761 117 T 4.1962 8.3558 113.2454 61.3810 70.8861 175.4665 118 D 4.4559 8.7664 124.0026 58.3360 40.8473 179.6301 119 E 4.0444 8.1460 118.1530 61.1786 29.7247 180.8879 120 E 4.1777 8.1081 119.3186 59.1266 29.4811 179.6054 121 V 3.5816 7.8758 118.1973 66.1443 31.5472 177.3405 122 D 4.4704 8.6437 121.4192 58.4042 40.7001 179.6416 123 E 3.9667 8.6881 118.5369 61.2753 29.6256 180.5310 124 M 4.1636 8.3875 120.0431 58.7132 32.2471 178.2893 125 I 3.7687 8.0650 122.0498 65.2389 37.1289 179.2696 126 R 3.9925 8.0201 120.0998 61.6180 29.3046 180.3381 127 E 4.2937 8.5604 118.2385 58.4794 29.4988 178.4862 128 A 4.5577 7.4761 119.6857 52.7741 19.8382 177.4166 129 D 4.5713 7.7601 116.5164 53.3113 40.6419 175.9784 130 I 3.8585 8.3376 127.0138 63.8702 37.3454 177.4365 131 D 4.5982 8.3415 115.9787 52.8584 39.9213 176.4346 132 G 3.8061 8.2742 108.1302 46.8927 0.0000 173.8891 133 D 4.5226 8.0757 115.8369 52.3946 39.7309 177.2873 134 G 3.9270 9.4191 108.5096 45.9465 0.0000 173.1785 135 Q 4.8233 8.3218 117.0720 53.8543 33.1311 175.2755 136 V 4.7194 8.8547 121.6187 61.4092 33.3679 175.1999 137 N 5.1263 9.4080 127.0647 52.2764 39.3014 175.6840 138 Y 3.4003 8.6488 120.7898 61.4729 38.6167 178.3806 139 E 3.8384 8.2196 118.6152 61.0948 29.8563 180.5707 140 E 4.1860 9.1822 119.6084 59.2142 29.5189 179.1901 141 F 4.1350 8.4228 121.0118 61.1299 39.4608 177.0786 142 V 3.2910 7.6827 118.1745 66.3127 31.0154 178.0805 143 Q 3.9145 7.6910 117.1029 59.1162 28.2747 178.5218 144 M 3.9248 7.6901 118.4077 58.5194 32.3124 177.6151 145 M 4.0814 7.6105 117.7095 56.4465 32.3911 177.5788 146 T 4.4057 7.2203 107.5079 60.3182 69.5420 174.4092 147 A 4.0013 6.6488 124.3047 53.5951 19.0984 178.3621 148 K 4.2192 8.5127 117.7330 56.8389 31.6046 176.7560 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 3 Q 8.34 4.32 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 4 L 8.13 4.31 0.00 1.77 1.67 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.25 4.26 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 1.20 0.00 0.00 6 E 8.57 4.01 0.00 2.02 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 2.39 2.35 0.00 7 E 8.09 3.95 0.00 2.05 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 2.34 2.49 0.00 8 Q 7.87 3.61 0.00 2.28 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 9 I 7.63 3.82 2.02 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 1.56 0.83 0.94 0.00 0.00 10 A 8.47 4.05 1.38 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 0.00 0.00 11 E 8.26 3.98 0.00 1.92 1.99 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 2.31 2.50 0.00 12 F 8.21 4.79 0.00 3.52 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 13 K 8.94 4.44 0.00 2.14 2.00 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 14 E 8.79 4.00 0.00 2.14 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 0.00 2.55 2.48 0.00 15 A 8.26 4.23 1.80 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 16 F 8.54 2.96 0.00 2.77 3.25 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 17 S 8.46 4.22 0.00 4.09 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 18 L 7.70 4.07 0.00 1.86 1.64 1.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.37 4.30 0.00 2.64 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 20 D 7.70 4.46 0.00 1.87 2.18 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 21 K 8.04 3.97 0.00 1.72 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.45 7.81 22 D 8.05 4.48 0.00 2.73 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 23 G 7.75 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 0.00 0.00 0.00 24 D 8.67 4.58 0.00 2.84 2.80 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 25 G 9.68 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 26 T 7.95 5.12 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 1.29 0.00 0.00 27 I 8.71 4.71 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.24 0.97 0.00 0.00 28 T 8.98 4.65 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 1.22 0.00 0.00 29 T 8.52 3.91 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 1.26 0.00 0.00 30 K 8.13 3.80 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.55 7.81 31 E 8.34 3.96 0.00 2.29 2.18 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 2.30 2.30 0.00 32 L 8.54 4.25 0.00 1.94 1.89 1.19 1.05 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 33 G 8.78 3.62 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 0.00 34 T 7.87 3.89 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 1.27 0.00 0.00 35 V 7.38 3.40 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 0.33 0.00 0.00 0.46 0.00 0.00 36 M 8.20 4.24 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.01 0.00 37 R 8.52 4.79 0.00 1.92 1.97 0.00 3.13 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 38 S 7.88 4.15 0.00 3.97 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 39 L 7.80 4.52 0.00 1.95 1.81 0.99 1.22 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 40 G 8.21 4.04 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 0.00 0.00 0.00 41 Q 7.69 4.57 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.98 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 42 N 8.09 5.26 0.00 2.60 2.67 0.00 0.00 7.00 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 43 P 0.00 4.64 0.00 2.24 2.06 0.00 3.83 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 2.01 1.98 0.00 44 T 9.20 4.27 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 1.22 0.00 0.00 45 E 8.76 3.88 0.00 2.10 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 2.39 2.47 0.00 46 A 7.94 4.01 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 47 E 8.21 3.93 0.00 2.30 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 2.34 2.36 0.00 48 L 8.12 4.01 0.00 1.87 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.33 4.01 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.30 4.35 0.00 2.95 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 51 M 7.97 4.04 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 52 I 7.87 3.89 2.03 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 1.55 1.10 0.98 0.00 0.00 53 N 8.47 4.32 0.00 2.89 2.88 0.00 0.00 7.03 7.22 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 54 E 8.02 4.07 0.00 2.14 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 2.34 2.54 0.00 55 V 7.38 4.27 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 0.61 0.00 0.00 1.00 0.00 0.00 56 D 7.84 4.53 0.00 3.02 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.32 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 58 D 8.24 4.57 0.00 2.84 2.80 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 59 G 7.57 3.87 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 0.00 0.00 0.00 60 N 8.49 4.61 0.00 2.86 2.94 0.00 0.00 6.98 7.54 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 61 G 9.58 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 0.00 0.00 0.00 62 T 7.96 4.80 4.45 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 1.24 0.00 0.00 63 I 8.39 4.70 1.96 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 1.32 0.78 1.07 0.00 0.00 64 D 9.00 5.18 0.00 2.88 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 65 F 8.85 3.36 0.00 2.68 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 66 P 0.00 4.29 0.00 2.32 2.34 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.10 0.00 67 E 8.86 4.06 0.00 2.28 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 2.48 2.25 0.00 68 F 8.44 4.01 0.00 3.24 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 69 L 7.79 3.54 0.00 1.72 1.38 0.93 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.65 3.79 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 1.22 0.00 0.00 71 M 7.82 3.85 0.00 1.82 1.99 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 2.45 2.23 0.00 72 M 7.41 3.82 0.00 1.81 1.49 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 73 A 7.37 4.08 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 74 R 7.38 4.09 0.00 1.75 1.84 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 *77 K 8.44 4.32 0.00 1.80 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 78 D 8.19 4.53 0.00 2.69 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 79 T 7.78 4.55 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 1.23 0.00 0.00 80 D 9.61 4.82 0.00 2.73 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 81 S 7.89 4.58 0.00 4.07 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 82 E 8.61 3.98 0.00 2.10 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 2.51 2.46 0.00 83 E 8.29 3.95 0.00 2.10 1.98 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 2.43 2.45 0.00 84 E 7.78 4.26 0.00 2.31 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 2.38 2.39 0.00 85 I 8.04 4.13 2.06 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 1.54 0.68 1.04 0.00 0.00 86 R 8.57 4.23 0.00 2.03 2.00 0.00 3.04 0.00 0.00 2.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 87 E 8.43 4.05 0.00 2.36 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 2.38 2.44 0.00 88 A 8.28 4.42 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 0.00 0.00 0.00 0.00 0.00 89 F 9.06 3.25 0.00 3.29 3.35 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 90 R 8.01 3.84 0.00 2.05 2.19 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 91 V 7.37 3.64 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 0.63 0.00 0.00 0.97 0.00 0.00 92 F 7.82 4.11 0.00 2.70 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 93 D 7.73 4.61 0.00 1.88 2.22 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 94 K 8.01 3.95 0.00 1.71 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.45 7.81 95 D 8.02 4.56 0.00 2.73 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 96 G 8.04 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 0.00 0.00 0.00 0.00 97 N 8.53 4.55 0.00 2.97 3.08 0.00 0.00 6.98 7.03 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 98 G 9.51 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 99 Y 7.89 5.12 0.00 2.90 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 0.00 100 I 9.12 4.41 1.87 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.14 0.93 0.00 0.00 101 S 9.02 4.79 0.00 3.94 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 0.00 102 A 8.71 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.93 0.00 2.22 2.24 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 2.29 2.30 0.00 105 L 8.46 4.32 0.00 1.85 1.91 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.17 3.98 0.00 1.86 1.93 0.00 3.35 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 107 H 8.26 4.18 0.00 3.41 3.48 0.00 5.75 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 0.00 108 V 7.95 3.43 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 0.15 0.00 0.00 0.81 0.00 0.00 109 M 8.21 4.06 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.20 0.00 110 T 7.95 4.61 4.35 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 1.17 0.00 0.00 111 N 8.03 4.28 0.00 2.77 2.81 0.00 0.00 7.13 8.69 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 0.00 112 L 7.84 4.15 0.00 1.72 1.67 0.90 1.15 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 7.12 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.33 0.00 2.12 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 2.35 2.34 0.00 115 K 8.61 4.68 0.00 1.79 1.58 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 0.99 7.81 116 L 8.23 4.99 0.00 1.64 1.63 0.99 1.07 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 0.00 117 T 8.36 4.20 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 1.22 0.00 0.00 118 D 8.77 4.46 0.00 2.72 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 0.00 119 E 8.15 4.04 0.00 1.97 1.96 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 2.31 1.97 0.00 120 E 8.11 4.18 0.00 2.23 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 2.34 2.33 0.00 121 V 7.88 3.58 2.23 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 1.14 0.00 0.00 0.99 0.00 0.00 122 D 8.64 4.47 0.00 2.90 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 0.00 123 E 8.69 3.97 0.00 1.92 1.96 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 2.24 2.19 0.00 124 M 8.39 4.16 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 125 I 8.06 3.77 2.06 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 1.54 1.06 0.96 0.00 0.00 126 R 8.02 3.99 0.00 1.89 1.85 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 127 E 8.56 4.29 0.00 1.98 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 0.00 2.34 2.40 0.00 128 A 7.48 4.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.57 0.00 2.87 2.64 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 0.00 130 I 8.34 3.86 2.01 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 1.35 0.66 0.92 0.00 0.00 131 D 8.34 4.60 0.00 2.78 2.80 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 0.00 132 G 8.27 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 0.00 133 D 8.08 4.52 0.00 2.72 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 0.00 134 G 9.42 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 0.00 135 Q 8.32 4.82 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 136 V 8.85 4.72 2.20 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 1.05 0.00 0.00 1.00 0.00 0.00 137 N 9.41 5.13 0.00 2.94 3.26 0.00 0.00 6.27 7.10 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 0.00 138 Y 8.65 3.40 0.00 2.15 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.22 3.84 0.00 2.01 1.95 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 2.31 1.97 0.00 140 E 9.18 4.19 0.00 2.28 2.18 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 2.44 2.46 0.00 141 F 8.42 4.14 0.00 3.38 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 0.00 142 V 7.68 3.29 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 0.85 0.00 0.00 0.31 0.00 0.00 143 Q 7.69 3.91 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 144 M 7.69 3.92 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 145 M 7.61 4.08 0.00 1.76 1.69 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.27 0.00 146 T 7.22 4.41 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 1.14 0.00 0.00 147 A 6.65 4.00 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 0.00 148 K 8.51 4.22 0.00 1.91 1.93 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.