NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2778 0.0000 0.0000 61.7644 32.5961 174.8705 3 K 3.6808 8.5486 117.4938 55.8749 32.2873 175.8045 4 K 4.1121 9.0338 127.4219 56.9323 33.9888 175.5251 5 V 5.0091 8.2179 124.5688 61.6091 34.4747 174.0437 6 L 4.9333 8.7937 127.1548 53.1017 45.5771 175.1157 7 T 5.0010 7.7816 108.6135 60.7323 71.9996 173.5023 8 G 4.3159 8.6001 109.1082 46.8784 0.0000 172.3611 9 V 4.6573 7.7499 112.2868 60.3138 34.1011 176.1448 10 V 4.3476 8.3811 123.8404 61.5404 32.3860 176.8208 11 V 4.3559 7.9309 125.6739 60.2269 31.6934 176.7737 12 S 4.9142 7.1682 114.8381 58.3878 65.0755 176.2079 13 D 5.0264 8.0307 125.2645 52.7233 40.1557 177.2096 14 K 4.1170 8.1727 118.8446 58.5366 32.1790 176.2263 15 M 4.7011 7.3924 118.0615 53.1004 34.4798 175.5926 16 Q 4.1120 8.5494 120.2100 56.5652 29.2864 176.3530 17 K 4.1279 8.8116 123.2673 57.0895 29.8580 174.7527 18 T 5.1946 7.6302 111.6866 62.6334 72.7471 174.0262 19 V 4.7210 8.7074 116.8268 60.1078 36.7021 174.7841 20 T 4.7726 8.3842 120.5880 62.4067 70.0226 173.8299 21 V 4.5259 8.6062 128.2272 61.1263 33.7048 174.3042 22 L 4.6543 9.1433 131.4098 54.1506 43.4503 175.2120 23 V 4.6510 8.6491 126.2871 61.2143 34.2818 174.5615 24 E 5.3751 8.3396 126.6202 54.8991 32.6758 174.6938 25 R 4.4934 7.9091 113.9523 56.2354 32.9921 173.5715 26 Q 5.3071 9.1183 118.7366 52.7862 32.6152 174.5090 27 F 4.8735 7.6692 115.7587 56.2109 40.0033 171.4267 28 P 4.9810 0.0000 0.0000 62.0779 32.0445 175.6830 29 H 4.4065 9.2275 125.9657 56.3331 30.0746 174.6507 30 P 4.2300 0.0000 0.0000 65.2173 31.5374 176.5059 31 L 4.4338 8.1263 117.1239 55.2344 44.0396 176.1042 32 Y 4.3813 8.0667 113.1361 56.9610 38.0104 175.7053 33 G 4.2089 7.8742 114.8380 47.0323 0.0000 173.4399 34 K 4.2976 7.3017 120.7512 52.7781 34.2441 174.5518 35 V 4.3255 8.3803 127.6604 62.7080 32.1531 174.9832 36 I 4.4788 8.1698 121.1308 58.8339 40.5119 174.1861 37 K 4.8529 8.3869 124.9797 55.0059 34.2815 174.9580 38 R 4.9442 8.8035 125.3526 55.0329 34.1223 173.4746 39 S 5.3512 8.5368 116.5701 56.8939 66.8332 172.7724 40 K 4.6400 9.0018 120.1540 55.2960 35.8366 174.4312 41 K 5.0969 8.5090 125.4175 55.2493 34.0210 175.3569 42 Y 4.5084 8.7101 121.3205 56.0874 41.4867 174.7566 43 L 4.8714 8.6793 123.9953 53.9239 42.9665 175.3106 44 A 5.2393 8.8902 126.8721 50.3036 22.2730 174.9784 45 H 4.6597 9.3095 121.7826 56.1816 31.2575 173.9339 46 D 5.1080 8.6193 125.9349 50.8757 41.3206 174.3214 47 P 4.4250 0.0000 0.0000 63.1190 31.0236 178.0633 48 E 4.5354 8.8084 113.9735 56.4502 34.2332 174.6611 49 E 4.5483 7.8704 118.0900 56.3252 27.4082 175.1665 50 K 4.2192 8.2124 113.2635 56.6052 33.7193 176.0378 51 Y 4.9209 8.3604 117.1794 55.6385 39.5722 174.7820 52 K 4.6172 8.2475 127.2859 55.2635 35.3581 176.0826 53 L 4.9517 7.6566 117.4472 56.1376 42.5874 175.9647 54 G 4.3315 8.9342 110.5534 45.7153 0.0000 173.8671 55 D 4.3744 7.4604 118.2334 54.8918 42.2008 176.2333 56 V 4.5772 8.7084 123.5971 61.5842 33.3640 174.8365 57 V 4.8688 8.9140 121.0530 59.6184 36.2820 174.1530 58 E 5.0980 8.4667 120.3959 54.9552 32.0730 175.7231 59 I 4.9434 8.9632 124.4793 59.4369 40.8864 174.2818 60 I 5.0187 8.2577 124.8162 58.6865 41.0771 174.2293 61 E 2.8484 9.1242 129.8046 57.1072 29.7612 176.1221 62 S 4.7573 7.6909 121.3490 56.0589 67.3220 173.7688 63 R 3.9164 8.4365 121.0942 55.3363 30.3491 174.1388 64 P 4.2333 0.0000 0.0000 63.6859 31.5292 175.9954 65 I 4.2175 9.3990 123.3452 60.1753 38.2496 175.5603 66 S 4.8673 7.5914 114.3926 57.3275 63.9671 176.1220 67 K 3.9338 7.8247 121.1702 57.5135 32.2078 177.8941 68 R 3.8665 8.5019 118.5938 57.2516 29.3574 176.6636 69 K 4.7623 8.2713 116.7294 54.3599 31.7522 176.2545 70 R 4.8876 8.2914 126.1220 55.0347 32.0251 175.1581 71 F 5.1811 8.1785 116.2644 56.6399 43.8731 173.9519 72 R 4.8312 8.5671 122.7684 54.6385 32.7620 175.9090 73 V 3.4872 8.0004 122.3633 63.5147 31.3563 175.0295 74 L 4.2123 9.0010 133.8491 56.1641 41.4468 177.4146 75 R 4.9490 8.5124 110.8770 54.2375 34.3314 175.4237 76 L 4.5081 8.7110 121.9563 55.6565 43.2954 174.6160 77 V 4.1810 8.6882 123.6980 63.0580 33.2782 177.8061 78 E 4.3529 9.3420 119.9570 54.8748 30.6935 175.5106 79 S 4.5078 8.5867 119.3220 58.2718 63.2860 172.2788 80 G 3.8160 9.9940 116.9779 46.8791 0.0000 174.7341 81 R 4.7005 7.9215 128.1954 53.2228 31.6925 177.0156 82 M 4.1170 8.1415 119.0574 57.8805 32.3402 177.9020 83 D 4.4200 8.1221 119.3176 55.9964 39.4755 178.1613 84 L 4.1741 8.1846 120.3542 57.0103 42.1301 178.7549 85 V 3.6591 7.9327 117.6947 66.3713 31.0783 177.8838 86 E 3.9064 8.3692 117.9099 59.5557 29.5935 179.2051 87 K 3.6900 7.4904 117.7673 60.1906 32.1165 178.0095 88 Y 4.2875 8.3363 119.6118 60.1814 38.9873 177.0957 89 L 3.7036 8.6500 119.9925 58.2130 42.0275 179.9709 90 I 3.7197 8.5136 120.3982 64.0853 36.8136 178.4101 91 R 3.7501 7.1971 117.7802 58.5391 29.9590 177.6625 92 R 3.4853 7.1859 116.5855 57.1771 30.6812 177.2850 93 Q 4.0803 7.4003 118.6987 58.9426 29.2843 176.8367 94 N 4.5274 7.7309 116.3050 55.0615 38.3928 176.7184 95 Y 4.4576 7.1930 118.1335 61.2584 37.8157 178.0193 96 E 4.0730 8.3737 117.5355 58.7746 29.4826 177.6022 97 S 4.8295 7.5601 113.7634 58.4091 63.1927 175.0103 98 L 4.6965 8.1313 120.8154 55.0904 44.3800 177.8597 99 S 4.4861 7.8656 111.4603 58.5008 63.5465 173.7246 100 K 4.4569 8.1425 119.1387 56.3959 32.8608 177.0253 *101 R 4.1415 8.0355 121.8015 56.5401 30.0213 177.4258 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 P 0.00 4.28 0.00 2.19 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.55 3.68 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 4 K 9.03 4.11 0.00 1.97 1.79 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 V 8.22 5.01 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 1.01 0.00 0.00 6 L 8.79 4.93 0.00 1.15 1.25 0.10 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.78 5.00 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 1.16 0.00 0.00 8 G 8.60 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 9 V 7.75 4.66 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 0.77 0.00 0.00 0.88 0.00 0.00 10 V 8.38 4.35 2.30 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 1.01 0.00 0.00 1.02 0.00 0.00 11 V 7.93 4.36 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 0.58 0.00 0.00 0.37 0.00 0.00 12 S 7.17 4.91 0.00 3.87 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 13 D 8.03 5.03 0.00 2.84 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 14 K 8.17 4.12 0.00 1.79 1.94 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 15 M 7.39 4.70 0.00 1.97 1.98 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 2.55 2.49 0.00 16 Q 8.55 4.11 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 8.81 4.13 0.00 2.01 1.93 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 T 7.63 5.19 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 19 V 8.71 4.72 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 0.91 0.00 0.00 0.91 0.00 0.00 20 T 8.38 4.77 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 1.13 0.00 0.00 21 V 8.61 4.53 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 0.84 0.00 0.00 0.83 0.00 0.00 22 L 9.14 4.65 0.00 1.46 1.38 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.65 4.65 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 0.83 0.00 0.00 0.72 0.00 0.00 24 E 8.34 5.38 0.00 1.87 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 2.24 2.28 0.00 25 R 7.91 4.49 0.00 1.88 2.02 0.00 2.90 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 26 Q 9.12 5.31 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 27 F 7.67 4.87 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.98 0.00 2.07 2.12 0.00 3.93 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 29 H 9.23 4.41 0.00 3.39 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.23 0.00 2.21 2.17 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 31 L 8.13 4.43 0.00 1.39 1.33 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.07 4.38 0.00 2.72 2.88 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 0.00 0.00 0.00 33 G 7.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.30 4.30 0.00 1.88 1.69 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 V 8.38 4.33 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 0.79 0.00 0.00 0.92 0.00 0.00 36 I 8.17 4.48 1.65 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 0.53 -0.36 0.85 0.00 0.00 37 K 8.39 4.85 0.00 1.71 1.67 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.47 7.81 38 R 8.80 4.94 0.00 2.08 1.86 0.00 3.30 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 39 S 8.54 5.35 0.00 3.90 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 40 K 9.00 4.64 0.00 1.86 1.78 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.88 1.23 7.81 41 K 8.51 5.10 0.00 1.62 1.65 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.46 7.81 42 Y 8.71 4.51 0.00 2.71 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 43 L 8.68 4.87 0.00 1.80 1.66 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.89 5.24 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 45 H 9.31 4.66 0.00 3.25 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.62 5.11 0.00 2.82 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 47 P 0.00 4.43 0.00 2.23 2.13 0.00 3.80 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 48 E 8.81 4.54 0.00 1.92 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 2.25 2.29 0.00 49 E 7.87 4.55 0.00 2.04 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 2.33 2.35 0.00 50 K 8.21 4.22 0.00 1.61 1.75 0.00 1.25 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.68 0.28 7.81 51 Y 8.36 4.92 0.00 2.88 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 52 K 8.25 4.62 0.00 1.91 1.99 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.40 7.81 53 L 7.66 4.95 0.00 1.66 1.67 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.93 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.46 4.37 0.00 2.97 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 56 V 8.71 4.58 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 0.95 0.00 0.00 1.00 0.00 0.00 57 V 8.91 4.87 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 0.76 0.00 0.00 0.75 0.00 0.00 58 E 8.47 5.10 0.00 1.82 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 2.19 2.24 0.00 59 I 8.96 4.94 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.83 1.05 0.00 0.00 60 I 8.26 5.02 1.90 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 1.10 1.64 0.99 0.00 0.00 61 E 9.12 2.85 0.00 1.94 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 2.10 1.92 0.00 62 S 7.69 4.76 0.00 3.68 3.66 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 63 R 8.44 3.92 0.00 1.73 1.79 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.23 0.00 2.05 2.01 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 65 I 9.40 4.22 1.93 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 0.71 0.74 0.00 0.00 66 S 7.59 4.87 0.00 4.08 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 K 7.82 3.93 0.00 1.81 1.73 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.48 7.81 68 R 8.50 3.87 0.00 1.99 2.03 0.00 3.23 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 1.53 1.63 0.00 69 K 8.27 4.76 0.00 1.78 1.80 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.38 7.81 70 R 8.29 4.89 0.00 1.86 1.70 0.00 3.20 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 71 F 8.18 5.18 0.00 2.99 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 72 R 8.57 4.83 0.00 1.75 1.86 0.00 3.16 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 73 V 8.00 3.49 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.74 0.00 0.00 74 L 9.00 4.21 0.00 1.74 1.55 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.51 4.95 0.00 1.92 2.00 0.00 3.03 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 76 L 8.71 4.51 0.00 1.88 1.67 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.69 4.18 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 0.86 0.00 0.00 0.97 0.00 0.00 78 E 9.34 4.35 0.00 2.19 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 2.32 2.29 0.00 79 S 8.59 4.51 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.99 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 0.00 0.00 0.00 81 R 7.92 4.70 0.00 1.98 1.94 0.00 3.31 0.00 0.00 3.56 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 82 M 8.14 4.12 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.12 4.42 0.00 2.87 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 84 L 8.18 4.17 0.00 1.81 1.76 0.92 1.02 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 85 V 7.93 3.66 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 1.08 0.00 0.00 0.96 0.00 0.00 86 E 8.37 3.91 0.00 2.18 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 2.68 2.50 0.00 87 K 7.49 3.69 0.00 2.11 1.94 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.66 7.81 88 Y 8.34 4.29 0.00 3.06 3.13 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 89 L 8.65 3.70 0.00 1.72 1.68 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.51 3.72 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.85 0.00 0.00 91 R 7.20 3.75 0.00 1.93 1.95 0.00 3.24 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 92 R 7.19 3.49 0.00 1.36 1.67 0.00 3.13 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 93 Q 7.40 4.08 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 94 N 7.73 4.53 0.00 2.56 2.75 0.00 0.00 6.92 6.82 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 95 Y 7.19 4.46 0.00 3.18 2.88 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 0.00 0.00 0.00 96 E 8.37 4.07 0.00 1.95 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 2.35 2.45 0.00 97 S 7.56 4.83 0.00 4.05 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 98 L 8.13 4.70 0.00 1.76 1.69 1.14 0.74 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 99 S 7.87 4.49 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.14 4.46 0.00 1.70 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *101 R 8.04 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.