NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 I 4.3102 8.0244 121.4058 61.6029 38.3690 174.6667 19 C 4.4202 9.3811 129.8377 57.5600 34.0279 170.3642 20 Q 5.0489 8.2110 118.2295 55.3912 31.7818 172.2337 21 F 5.1739 8.7638 120.3315 55.6872 42.2908 173.0343 22 K 4.9108 9.6849 120.2427 55.3233 33.5756 175.4417 23 L 5.4517 8.7734 127.8875 53.2075 44.7276 175.2392 24 V 5.0774 8.8400 125.0789 59.9707 34.5284 174.2225 25 L 5.0792 9.0684 123.9285 53.1602 43.7789 175.5456 26 L 4.3861 9.9169 123.4706 51.9711 45.7589 176.1693 27 G 4.3753 7.3653 110.3746 44.2186 0.0000 172.0368 28 E 4.5184 8.1829 120.1729 55.4529 30.2790 176.8470 29 S 4.2055 8.4757 114.9606 59.8137 63.4452 174.2847 30 A 3.8400 8.8410 124.7044 52.8248 15.7672 179.1615 31 V 3.8181 7.3296 111.1349 63.6580 32.0498 176.7523 32 G 4.2603 8.4097 109.8592 45.9387 0.0000 176.4948 33 K 3.9622 8.6707 120.7171 59.4784 32.2026 178.9310 34 S 4.4116 7.9346 116.1140 61.2167 62.7978 176.8652 35 S 4.1427 8.0134 117.5122 61.2157 62.6623 176.1898 36 L 4.0483 8.1057 123.4403 58.2578 41.9109 179.4595 37 V 3.6624 7.8676 118.6163 64.3030 31.5018 178.1519 38 L 3.8880 7.9075 121.1960 57.8006 41.8323 178.7419 39 R 3.7926 8.0006 118.6667 59.4507 29.8110 177.9178 40 F 4.0370 7.7341 118.7755 61.3518 39.4705 176.6958 41 V 3.4842 7.4732 109.5382 59.6493 31.8441 176.2235 42 K 3.8324 8.8184 117.6739 57.5482 29.8547 176.1761 43 G 3.8588 8.4267 104.0523 46.1749 0.0000 174.8350 44 Q 4.2125 7.6327 120.5320 54.2436 27.0880 174.3915 45 F 4.4220 7.6435 122.0175 58.4002 40.5916 174.4328 *49 Q 4.2918 8.2702 118.1412 55.2963 30.0640 174.8692 50 E 4.8198 7.9077 117.3766 54.5344 32.7016 175.2796 51 S 4.5176 8.7549 118.4003 58.9209 62.7858 173.5825 52 T 4.7365 7.9308 108.2878 59.2190 70.9577 174.7007 53 I 3.6850 8.5042 124.7977 63.5438 38.5051 177.0778 54 G 3.7846 8.2734 108.1880 47.4275 0.0000 172.1949 55 A 4.6344 6.7549 118.5190 51.3859 22.7262 175.2938 56 A 4.9956 8.6846 120.6289 50.2093 22.2761 175.2495 57 F 4.8762 8.7072 122.1000 56.3550 41.6060 174.6161 58 L 4.5256 7.5270 124.0374 52.9546 46.5267 175.2334 59 T 4.7940 7.8469 109.7414 59.8940 71.6304 172.9074 60 Q 4.3714 8.8395 125.9535 54.5662 31.9865 173.7892 61 T 5.0382 8.5283 123.5080 62.6944 69.9442 174.5752 62 V 4.6003 9.3706 118.8617 59.7531 36.7901 173.8239 63 C 5.0754 8.6621 122.1493 57.9025 32.7141 172.4990 64 L 4.8092 8.4907 128.1202 54.3025 45.4347 175.1015 65 D 4.2000 8.6511 125.1037 55.6875 41.1182 173.6997 66 D 4.8905 9.1104 113.0314 52.7836 40.3689 174.9589 67 T 4.5618 7.6899 115.1059 60.5221 69.3216 173.3880 68 T 4.4978 8.3465 123.9423 63.6598 69.9397 173.2812 69 V 4.7227 9.1877 127.3374 61.0452 34.0770 174.1101 70 K 4.8957 8.5296 130.3967 54.8281 33.8007 175.2244 71 F 3.9821 9.6683 128.2409 57.1931 40.3197 174.4808 72 E 4.6834 8.9067 124.2774 54.8559 31.5160 174.9089 73 I 4.9199 8.1728 126.5265 59.1692 40.2726 174.8255 74 W 5.1685 9.2128 127.1316 55.3182 31.0254 174.7728 75 D 5.0845 9.2304 127.1651 52.7565 40.9852 175.6093 76 T 4.1594 8.2098 115.9463 60.6665 69.7973 174.7678 77 A 4.1999 8.9375 126.8916 52.5539 19.1434 178.2726 78 G 3.8825 8.7169 109.2000 48.0425 0.0000 175.2098 79 Q 4.0305 8.3059 119.0073 56.1950 29.4790 177.5804 80 E 3.3035 8.9090 122.9056 59.0238 29.3759 178.9921 81 R 3.8771 7.7822 114.5816 58.2353 29.6539 177.0786 82 Y 4.8139 7.7649 116.3168 58.3054 38.7683 176.9636 83 H 4.6541 8.2078 118.4675 58.8523 28.6471 176.8480 84 S 4.5249 8.0844 112.4760 59.4080 63.3468 174.6741 85 L 4.2244 8.1794 120.8020 56.0772 42.1124 177.6838 86 A 4.4345 8.2352 122.5389 54.8694 18.9838 177.5484 87 P 2.9700 0.0000 0.0000 61.9441 30.2198 177.3691 *89 Y 4.2521 7.7185 115.2567 57.3539 39.9470 175.9757 90 Y 4.7782 7.3211 115.5760 56.7828 39.2313 176.8600 91 R 4.0063 7.4002 119.8361 59.5029 30.4044 178.2523 92 G 4.0691 7.7763 105.5407 45.9027 0.0000 172.8923 93 A 4.9172 7.9743 122.0247 50.1679 21.3599 177.6925 94 Q 4.4523 8.9731 121.2586 57.9913 30.1735 175.5701 95 A 5.2715 8.0331 118.9107 51.0126 23.2551 174.7475 96 A 5.1387 9.2583 120.2149 50.7120 23.2904 175.3643 97 I 4.7388 8.7452 122.5939 59.5039 40.0336 174.7579 98 V 4.5207 8.9879 127.8848 61.3425 33.1218 174.4382 99 V 5.0111 8.5528 128.7402 61.4182 33.4801 174.0332 100 Y 5.0915 9.0530 124.8250 55.3894 42.4868 173.1212 101 D 5.3593 9.0925 119.2804 52.3238 42.9744 176.9273 102 I 4.0930 8.7378 119.9333 62.9235 37.8615 177.1178 103 T 4.5356 8.3621 110.4967 61.0485 69.0321 174.9048 104 N 4.8258 8.4443 120.8522 51.3568 41.2110 174.0644 105 E 4.0900 8.8021 128.8263 59.3582 29.6735 178.7856 106 E 3.9819 8.3101 119.1672 59.2710 29.7783 178.8668 107 S 4.2772 8.8893 114.7505 61.3554 63.0003 176.2021 108 F 3.8966 8.1882 124.0945 60.9226 38.6438 176.7722 109 A 3.5526 8.2657 120.6881 55.3758 18.1383 179.9142 110 R 3.7967 8.4806 116.5288 58.9218 30.0750 179.0531 111 A 4.2798 8.3895 121.2529 55.2388 18.3955 179.6737 112 K 3.6645 7.4537 118.2433 59.0630 31.9256 179.2995 113 N 4.2696 7.6741 115.8523 55.9144 38.2661 177.5420 114 W 4.2639 8.0670 120.5309 59.6529 29.1148 178.5625 115 V 3.6280 7.9412 118.1654 66.0533 31.0321 177.9538 116 K 4.1132 8.0841 119.4352 58.8591 31.8842 178.7213 117 E 3.9139 8.4141 119.5048 59.2837 29.4450 178.8573 118 L 3.6382 8.0467 118.9696 57.9472 41.4515 179.3466 119 Q 3.9703 8.4080 118.2919 59.2011 28.3886 179.4554 120 R 4.1408 7.9698 117.8081 58.0993 30.4775 177.3958 121 Q 4.5386 8.2718 114.3018 55.4298 30.8189 175.4913 122 A 4.7592 7.9976 120.8791 50.1136 20.6676 176.3434 123 S 4.0991 8.5356 113.1865 57.7013 62.9200 173.9656 124 P 4.3258 0.0000 0.0000 65.0434 31.2892 176.6741 125 N 4.8349 7.6721 114.9897 52.7951 38.7298 174.4089 126 I 4.0744 7.2831 120.0802 61.0712 38.8450 175.5085 127 V 4.0340 8.6560 129.7549 62.3033 33.0679 174.4615 128 I 4.9443 8.4625 128.4251 59.6283 39.6083 174.3516 129 A 5.1859 9.3325 129.3677 50.0314 22.1202 174.8425 130 L 5.2177 9.4752 123.1215 53.4799 44.7724 174.9947 131 S 4.5868 9.4644 122.5032 56.8461 64.4069 173.2652 132 G 3.1245 8.5849 115.3932 44.8170 0.0000 172.3982 133 N 5.1673 8.7846 127.1168 51.3948 41.7635 174.3485 134 K 4.0682 8.5888 115.9556 57.2176 29.2668 178.2132 135 A 4.1701 8.2607 124.5652 54.9159 18.3823 179.8043 136 D 4.5032 8.0016 114.2353 55.7696 39.9107 176.3293 137 L 4.4671 8.1518 120.7150 54.8193 42.2028 178.8215 138 A 4.2137 8.1279 124.4343 55.2929 18.5400 180.4990 139 N 4.3734 8.2429 112.1678 55.6895 38.7914 175.8564 140 K 4.5121 8.3745 116.8772 55.6955 32.6171 175.6647 141 R 4.1120 7.7090 119.0411 57.2544 30.1464 176.0455 142 A 4.5953 9.3543 124.9879 51.1104 20.6916 175.9318 143 V 4.1638 7.6334 115.1305 60.5142 32.9608 175.4864 144 D 4.4652 8.5093 128.0222 54.1852 41.9212 176.5032 145 F 4.1376 9.1325 126.6661 61.8033 39.3531 177.1994 146 Q 3.9423 8.3409 116.6848 59.0052 28.5876 178.1653 147 E 3.8379 8.2336 119.3859 59.4493 29.4816 178.6101 148 A 3.7354 7.4818 120.3318 54.9934 18.2852 179.2403 149 Q 3.5483 7.9803 118.2056 59.3286 28.9999 178.5771 150 S 4.0692 8.3173 116.4153 61.9348 62.6935 176.1738 151 Y 3.9234 7.9254 121.6304 60.5562 38.4303 177.9877 152 A 3.9105 8.1908 121.9861 55.1734 18.4281 179.3722 153 D 4.2783 8.1609 117.4055 57.7570 40.7946 178.7339 154 D 4.3846 8.0680 117.8826 56.4023 40.7772 177.1660 155 N 4.6772 6.8972 112.6566 51.8279 39.9795 174.4653 156 S 3.6633 7.7270 113.3786 59.7249 60.8581 172.1816 157 L 4.8492 8.2506 118.9042 52.6852 44.1541 178.1155 158 L 4.1956 8.5151 125.3946 55.3177 42.7332 175.4618 159 F 5.9344 8.5368 127.5541 55.3335 42.9234 173.6453 *161 E 4.3798 8.5925 120.7659 56.6185 30.4028 175.0637 162 T 4.7145 8.5895 111.4412 60.5506 73.4902 172.8902 163 S 4.7175 8.4064 115.5796 56.7740 64.4579 174.2061 164 A 4.1721 8.6158 131.4680 54.9385 18.5260 178.8237 165 K 4.0587 8.1181 116.5249 59.6634 32.3901 177.9329 166 T 4.1165 7.6695 106.0964 61.0960 69.6833 171.2511 167 S 4.0171 8.3789 125.7891 58.3326 64.1247 169.8235 *169 N 4.5684 8.5171 120.9002 52.6536 40.2808 176.5235 170 V 3.6529 8.0898 119.8335 66.1464 31.4384 177.5676 171 N 4.6101 8.1954 114.8664 56.8144 38.9531 175.5198 172 E 4.0928 8.3565 118.8338 59.8688 29.7387 178.2962 173 I 3.8569 7.9443 118.0918 63.9423 37.8648 178.2450 174 F 3.8428 7.8166 114.7982 58.1871 37.3980 176.7240 *176 A 4.3041 7.9877 126.1484 52.3303 20.6477 180.1657 177 I 3.6793 7.7366 116.8973 64.6459 36.9677 178.4471 178 A 3.6374 7.9127 121.6505 54.5445 17.8625 179.6183 179 K 3.8288 7.3411 117.3521 59.7460 33.0029 179.2511 180 K 4.2608 7.7055 118.2627 57.1675 32.0189 177.0965 181 L 3.9369 6.7496 119.5330 53.6278 41.5056 175.3263 182 P 4.3676 0.0000 0.0000 63.0822 31.2454 176.2490 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 18 I 8.02 4.31 1.89 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 1.25 1.08 0.94 0.00 0.00 19 C 9.38 4.42 0.00 3.02 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 20 Q 8.21 5.05 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 21 F 8.76 5.17 0.00 3.25 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 22 K 9.68 4.91 0.00 2.09 2.02 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.63 1.51 7.81 23 L 8.77 5.45 0.00 1.87 1.57 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.84 5.08 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 0.86 0.00 0.00 1.15 0.00 0.00 25 L 9.07 5.08 0.00 1.59 1.60 1.04 0.35 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 26 L 9.92 4.39 0.00 0.91 0.13 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.37 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.18 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 2.65 2.40 0.00 29 S 8.48 4.21 0.00 4.05 4.03 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 30 A 8.84 3.84 1.45 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 31 V 7.33 3.82 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 0.79 0.00 0.00 1.08 0.00 0.00 32 G 8.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.67 3.96 0.00 1.82 1.95 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.54 7.81 34 S 7.93 4.41 0.00 3.86 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 35 S 8.01 4.14 0.00 3.87 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 36 L 8.11 4.05 0.00 2.17 1.86 1.04 0.82 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 37 V 7.87 3.66 2.25 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 0.84 0.00 0.00 0.95 0.00 0.00 38 L 7.91 3.89 0.00 1.90 1.78 0.85 0.72 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 39 R 8.00 3.79 0.00 2.18 2.04 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 40 F 7.73 4.04 0.00 2.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.48 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.95 0.00 0.00 42 K 8.82 3.83 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.28 7.81 43 G 8.43 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 0.00 0.00 0.00 44 Q 7.63 4.21 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 45 F 7.64 4.42 0.00 2.78 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 *49 Q 8.27 4.29 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 50 E 7.91 4.82 0.00 2.21 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 2.76 2.76 0.00 51 S 8.75 4.52 0.00 3.92 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 52 T 7.93 4.74 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 1.28 0.00 0.00 53 I 8.50 3.68 1.81 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 0.61 0.54 0.89 0.00 0.00 54 G 8.27 3.78 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 0.00 0.00 0.00 55 A 6.75 4.63 0.48 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 56 A 8.68 5.00 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 57 F 8.71 4.88 0.00 1.85 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 58 L 7.53 4.53 0.00 1.30 1.18 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.85 4.79 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 1.01 0.00 0.00 60 Q 8.84 4.37 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 1.43 2.05 0.00 61 T 8.53 5.04 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 1.30 0.00 0.00 62 V 9.37 4.60 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 0.59 0.00 0.00 1.46 0.00 0.00 63 C 8.66 5.08 0.00 3.00 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 64 L 8.49 4.81 0.00 1.80 1.50 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.65 4.20 0.00 2.80 1.76 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 66 D 9.11 4.89 0.00 2.78 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 67 T 7.69 4.56 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 1.26 0.00 0.00 68 T 8.35 4.50 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 1.26 0.00 0.00 69 V 9.19 4.72 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 0.79 0.00 0.00 0.97 0.00 0.00 70 K 8.53 4.90 0.00 1.88 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.44 7.81 71 F 9.67 3.98 0.00 3.04 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 72 E 8.91 4.68 0.00 2.06 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 2.53 2.31 0.00 73 I 8.17 4.92 1.71 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 1.01 0.00 0.00 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0.00 0.00 0.00 0.00 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 H 8.21 4.65 0.00 3.47 3.50 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.08 4.52 0.00 4.01 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 85 L 8.18 4.22 0.00 2.17 1.99 1.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.24 4.43 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 2.97 0.00 1.92 1.72 0.00 3.64 0.00 0.00 3.86 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 *89 Y 7.72 4.25 0.00 3.01 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 90 Y 7.32 4.78 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.40 4.01 0.00 1.72 1.98 0.00 3.28 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 92 G 7.78 4.07 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 0.00 93 A 7.97 4.92 1.52 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 94 Q 8.97 4.45 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 95 A 8.03 5.27 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 96 A 9.26 5.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.75 4.74 1.70 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.57 0.76 0.00 0.00 98 V 8.99 4.52 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 1.04 0.00 0.00 0.94 0.00 0.00 99 V 8.55 5.01 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 0.83 0.00 0.00 0.90 0.00 0.00 100 Y 9.05 5.09 0.00 3.20 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 9.09 5.36 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.74 4.09 1.94 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 1.50 0.68 0.88 0.00 0.00 103 T 8.36 4.54 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 0.00 104 N 8.44 4.83 0.00 2.79 2.90 0.00 0.00 7.18 7.26 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 0.00 105 E 8.80 4.09 0.00 2.10 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 2.52 2.41 0.00 106 E 8.31 3.98 0.00 2.11 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 0.00 2.41 2.47 0.00 107 S 8.89 4.28 0.00 4.25 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 0.00 108 F 8.19 3.90 0.00 2.81 3.17 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 0.00 0.00 0.00 0.00 109 A 8.27 3.55 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 0.00 110 R 8.48 3.80 0.00 2.03 2.14 0.00 3.42 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 111 A 8.39 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.45 3.66 0.00 1.47 1.47 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.21 7.81 113 N 7.67 4.27 0.00 2.76 2.59 0.00 0.00 7.05 7.55 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 0.00 114 W 8.07 4.26 0.00 3.59 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.94 3.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.14 0.00 0.00 116 K 8.08 4.11 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.35 7.81 117 E 8.41 3.91 0.00 2.02 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 2.27 2.42 0.00 118 L 8.05 3.64 0.00 1.83 1.60 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.41 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 120 R 7.97 4.14 0.00 1.92 1.99 0.00 3.10 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 1.65 1.77 0.00 121 Q 8.27 4.54 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 122 A 8.00 4.76 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 0.00 123 S 8.54 4.10 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.33 0.00 2.22 2.18 0.00 3.81 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 2.00 2.00 0.00 125 N 7.67 4.83 0.00 2.71 2.86 0.00 0.00 6.92 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 0.00 126 I 7.28 4.07 1.92 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 1.16 1.00 0.97 0.00 0.00 127 V 8.66 4.03 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 0.96 0.00 0.00 0.94 0.00 0.00 128 I 8.46 4.94 1.88 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 1.28 1.09 0.94 0.00 0.00 129 A 9.33 5.19 1.20 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 0.00 130 L 9.48 5.22 0.00 1.93 1.89 1.26 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 131 S 9.46 4.59 0.00 3.83 3.68 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 0.00 132 G 8.58 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 0.00 0.00 0.00 133 N 8.78 5.17 0.00 2.72 2.83 0.00 0.00 7.07 6.35 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 0.00 134 K 8.59 4.07 0.00 2.01 1.88 0.00 2.18 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.40 7.81 135 A 8.26 4.17 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 0.00 136 D 8.00 4.50 0.00 2.79 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 0.00 137 L 8.15 4.47 0.00 1.82 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.13 4.21 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 0.00 139 N 8.24 4.37 0.00 2.71 2.91 0.00 0.00 6.76 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.37 4.51 0.00 1.86 1.78 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 141 R 7.71 4.11 0.00 1.86 1.94 0.00 3.24 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 142 A 9.35 4.60 1.30 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 0.00 0.00 143 V 7.63 4.16 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 0.00 0.00 0.95 0.00 0.00 144 D 8.51 4.47 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.13 4.14 0.00 3.23 3.17 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 0.00 0.00 0.00 0.00 146 Q 8.34 3.94 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 147 E 8.23 3.84 0.00 1.97 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 2.45 2.42 0.00 148 A 7.48 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.98 3.55 0.00 1.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 150 S 8.32 4.07 0.00 3.99 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 0.00 151 Y 7.93 3.92 0.00 3.12 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 0.00 152 A 8.19 3.91 1.24 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 0.00 0.00 0.00 153 D 8.16 4.28 0.00 2.79 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 0.00 154 D 8.07 4.38 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 6.90 4.68 0.00 2.34 2.50 0.00 0.00 7.10 7.45 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 0.00 156 S 7.73 3.66 0.00 3.93 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 0.00 157 L 8.25 4.85 0.00 1.49 1.64 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.52 4.20 0.00 1.80 1.60 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.54 5.93 0.00 3.02 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 *161 E 8.59 4.38 0.00 1.90 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 2.33 2.53 0.00 162 T 8.59 4.71 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 1.16 0.00 0.00 163 S 8.41 4.72 0.00 3.85 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 0.00 164 A 8.62 4.17 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 0.00 165 K 8.12 4.06 0.00 1.72 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 166 T 7.67 4.12 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 1.20 0.00 0.00 167 S 8.38 4.02 0.00 4.18 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 *169 N 8.52 4.57 0.00 2.91 2.89 0.00 0.00 6.76 7.68 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 0.00 170 V 8.09 3.65 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 1.20 0.00 0.00 1.03 0.00 0.00 171 N 8.20 4.61 0.00 2.83 2.92 0.00 0.00 6.86 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 0.00 172 E 8.36 4.09 0.00 2.01 2.21 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 2.31 2.48 0.00 173 I 7.94 3.86 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.80 0.00 0.00 174 F 7.82 3.84 0.00 2.64 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *176 A 7.99 4.30 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 0.00 177 I 7.74 3.68 2.17 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.98 0.00 0.00 178 A 7.91 3.64 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 0.00 179 K 7.34 3.83 0.00 2.10 1.97 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.70 7.81 180 K 7.71 4.26 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.61 7.81 181 L 6.75 3.94 0.00 1.48 1.33 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.37 0.00 2.00 1.97 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.