NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2938 8.3449 119.6856 55.7652 30.1701 174.5986 3 R 4.2467 8.2115 119.8154 54.9210 31.4440 170.9247 4 V 4.3251 8.5635 118.6376 62.2844 35.2564 172.6161 5 T 4.5150 8.5363 123.4125 61.7503 70.3365 173.5441 6 I 4.5051 8.1977 119.3817 59.1988 40.2212 174.7659 7 T 4.6049 8.2535 117.2161 61.7420 70.6657 173.8562 8 L 4.8647 8.1459 125.0186 52.0597 45.5547 176.4551 9 D 4.5213 8.3413 119.6292 54.0031 43.2602 176.6390 10 D 4.3698 8.7021 125.3819 57.8927 40.8448 178.6567 11 D 4.3874 8.2966 118.3616 57.5976 40.7862 178.4861 12 L 3.9124 8.0119 119.8256 58.4361 41.9086 178.5935 13 L 3.9416 8.0922 119.9010 58.3977 41.9709 178.6785 14 E 3.9352 8.3943 118.2715 59.6132 29.3723 179.1777 15 T 3.8973 8.2235 115.9947 66.8226 68.6085 176.1268 16 L 3.9357 8.2409 121.9969 58.2593 42.1227 178.5423 17 D 4.3522 8.4759 119.4031 57.3748 40.8505 178.6562 18 S 4.1218 8.1029 114.5939 61.8641 61.9774 176.3786 19 L 4.1765 7.7671 124.1524 57.5808 41.7087 179.0657 20 S 4.6662 8.1256 115.1361 61.1650 62.8571 176.2959 21 Q 4.1919 8.3508 122.9385 59.0622 28.7042 177.7951 22 R 4.1626 8.4287 117.2455 57.7129 30.1837 177.8334 23 R 4.3612 7.2253 117.3169 55.4702 30.6788 176.7632 24 G 3.8518 7.7475 107.2873 45.3986 0.0000 172.8448 25 Y 4.7769 7.5527 117.8048 56.9958 38.5583 175.3456 26 N 4.7876 8.9107 121.7142 53.2086 39.0600 175.2921 27 N 4.9856 7.7742 117.0671 50.0247 40.8488 174.3533 28 R 3.7847 8.6634 124.7248 60.0226 30.2140 178.5076 29 S 4.0803 8.1749 114.0811 61.6599 62.5953 176.5583 30 E 3.7198 7.9340 121.0028 59.0180 29.5069 177.8156 31 A 2.6466 7.0839 120.3388 55.2846 18.2474 179.7048 32 I 3.6061 7.9619 117.9037 64.3099 37.1524 178.5081 33 R 3.8411 7.6310 119.1504 59.8148 29.8774 178.2640 34 D 4.3632 8.3192 118.7719 57.2882 40.6126 179.0232 35 I 3.7611 7.4604 120.4357 64.3597 37.1940 177.9666 36 L 3.9546 8.1409 120.1537 58.0168 41.4688 179.3074 37 R 3.8826 8.1231 118.1778 59.4294 30.0119 177.9147 38 S 4.2181 8.6333 112.0260 59.5686 61.7579 175.4816 39 A 3.9617 6.0048 123.7087 55.5064 18.9940 179.3230 40 L 3.9892 8.1566 117.6431 58.3926 42.2895 178.5749 41 A 4.2052 8.1037 122.1012 55.6114 19.6004 179.8040 42 Q 4.3393 8.1552 119.3006 57.6077 25.2671 176.1081 43 E 4.6459 7.6154 123.3543 57.0175 32.5621 174.9285 44 A 4.6868 7.6690 115.8555 52.8651 19.8271 176.3877 45 T 4.3635 8.1069 118.8410 62.9056 70.0758 174.1306 46 Q 4.6275 8.4227 123.3252 54.8836 31.1649 176.2424 47 Q 4.5076 8.4187 120.6424 54.0565 29.4835 174.6985 48 H 4.6511 8.1460 119.4601 53.9293 25.6326 173.6245 49 G 4.0335 7.2981 114.2111 46.2904 0.0000 171.4273 50 T 3.8056 7.9142 117.2404 63.1533 68.7577 174.0082 51 Q 4.7118 8.5497 126.6918 54.0292 31.9385 174.7085 52 G 4.6924 7.2064 107.1063 46.4181 0.0000 171.6609 53 F 5.2589 8.1829 119.5844 55.7426 43.2542 174.2977 54 A 5.0952 9.1457 122.0753 50.6150 23.5172 175.4360 55 V 4.7654 8.7185 118.8268 60.9382 32.8384 172.4294 56 L 4.6208 8.8724 127.7551 54.0959 43.5597 175.2155 57 S 5.0833 9.2930 120.9546 56.9652 66.6542 172.7517 58 Y 5.2598 7.8288 120.4096 56.3016 42.0538 173.1683 59 V 5.7852 8.5399 118.1174 60.7303 35.6780 173.8928 60 Y 5.4931 7.9680 118.3975 56.7539 40.8435 172.7590 61 E 4.8348 8.7325 122.8069 56.1761 30.3942 177.6016 62 H 4.3281 8.5372 119.7986 57.3348 29.2978 176.7352 63 E 4.2613 7.6291 118.3754 57.4459 30.3263 176.7979 64 K 4.1196 7.5798 118.4759 57.4880 32.6002 176.9864 65 R 3.8322 9.5415 119.4682 57.0250 28.0062 175.9449 66 D 4.4826 8.1695 113.1532 55.3356 38.9737 175.6446 67 L 3.9320 8.5373 120.6500 58.3142 41.7089 179.1521 68 A 4.3051 7.8122 119.8727 55.7038 18.2963 179.7803 69 S 4.3486 8.1085 111.5704 61.0005 63.4972 176.1736 70 R 3.8519 8.2811 122.7803 59.1601 29.8242 178.2851 71 I 3.4615 8.1959 119.9524 64.5266 37.1003 177.9559 72 V 3.6156 7.4280 117.3604 66.2008 31.1104 177.4610 73 S 4.0801 8.1078 112.2348 61.8771 62.4802 176.0231 74 T 3.9737 8.2685 112.2728 65.2495 68.3008 175.9544 75 Q 4.3038 8.2578 121.5326 58.9450 28.6001 178.5519 76 H 4.3966 8.4306 115.3795 57.8907 28.7611 176.7525 77 H 4.5569 8.5838 120.6900 58.3862 30.0926 175.9703 78 H 5.1130 7.9031 117.2643 55.2919 29.9318 175.7383 79 H 4.3009 8.3844 114.3189 57.2606 28.2307 175.0827 80 D 4.5001 7.7890 119.1984 55.2097 41.9026 177.0851 81 L 4.4190 8.1982 117.6739 54.1373 42.2135 175.7965 82 S 4.6305 7.5654 114.0465 56.8641 63.2239 173.1943 83 V 3.9013 8.2011 128.7091 64.3203 31.4527 175.4885 84 A 4.6088 7.3441 119.1348 51.4638 22.5078 174.2909 85 T 5.0055 8.5006 115.3925 61.6592 72.1549 173.1922 86 L 4.6405 9.1812 128.4392 53.7144 43.9178 174.5389 87 H 5.3172 8.8240 125.7363 54.6566 32.8895 173.9376 88 V 4.2167 8.2157 123.2468 61.9362 34.6745 173.9088 89 H 4.5695 8.7465 126.8462 55.2294 28.0434 175.4197 90 I 3.9898 7.8588 118.5070 62.3271 38.0425 175.3160 91 N 4.3208 7.6923 116.1610 52.2983 39.0055 173.4975 92 H 4.1836 9.1812 118.2493 59.4448 30.1536 175.2286 93 D 4.5045 8.3815 117.5610 55.5966 42.8068 176.5415 94 D 5.2243 9.2372 117.9473 52.9793 43.5500 175.7712 95 C 5.0273 8.3740 117.4281 57.8505 32.9878 172.9566 96 L 5.0340 8.5343 124.0294 53.6548 43.8795 174.8711 97 E 4.9560 8.6184 126.1619 54.5861 32.9916 175.7887 98 I 4.7675 8.5923 122.5762 59.7668 40.9160 173.8842 99 A 4.9101 9.2526 130.2168 50.1972 21.5094 175.5444 100 V 4.4771 8.6017 122.9441 61.6123 33.1078 174.9622 101 L 5.0048 8.4851 128.1263 53.2370 44.7363 175.6418 102 K 4.3092 8.8676 121.9062 54.7412 35.9415 176.2569 103 G 3.6790 8.3035 114.4164 44.3986 0.0000 171.7021 104 D 4.7799 8.2893 119.3776 54.1731 41.3750 177.3012 *106 G 3.7346 8.7329 103.8232 46.0684 0.0000 174.8304 107 D 4.2269 8.2772 120.6101 57.1330 40.6963 178.5124 108 V 3.2998 7.7601 117.8447 66.4011 31.0701 177.1936 109 Q 3.9679 8.0372 117.9265 60.2813 29.0177 177.8493 110 H 4.0564 8.4841 118.8054 58.7365 29.7799 176.5992 111 F 3.9518 9.1266 122.0207 61.6380 39.3677 177.4692 112 A 4.2029 9.2054 120.7031 55.7484 18.0543 179.3761 113 D 4.2774 8.3734 117.3260 57.4450 40.6728 178.3739 114 D 4.5705 7.6652 114.7711 55.2513 40.2556 176.6014 115 V 3.9039 7.5419 119.2103 64.4006 33.5145 177.8927 116 I 3.4039 7.8425 119.1204 64.0699 37.1057 177.4158 117 A 4.0345 7.9572 122.1673 54.7406 18.5758 177.8950 118 Q 3.7724 7.4042 114.0913 56.1961 29.1669 177.0080 119 R 4.0176 8.4349 123.4491 57.5692 30.8519 176.1927 120 G 4.0508 9.2952 112.4283 45.2603 0.0000 172.8903 121 V 4.7161 7.3536 117.8753 59.8904 32.3048 175.2547 122 R 4.2938 8.3421 126.4443 55.2998 31.4257 176.0581 123 H 4.2178 8.7029 112.1636 56.3101 26.4514 175.5465 124 G 4.0133 8.0348 105.2996 47.4592 0.0000 173.3824 125 H 4.9299 8.9429 120.6645 54.8169 33.8982 171.9146 126 L 4.9973 8.3937 127.3159 53.2281 44.6040 174.9808 127 Q 4.5595 8.3965 124.6700 54.5891 32.0110 173.5567 128 C 4.9425 8.7953 123.5352 58.3056 30.7116 174.2210 129 L 4.8601 8.6101 121.3212 52.2791 42.4188 173.8398 130 P 4.8623 0.0000 0.0000 63.0141 33.0760 178.1664 131 K 4.1964 8.0282 119.6511 54.7780 31.7689 173.3220 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 Q 8.34 4.29 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 3 R 8.21 4.25 0.00 1.85 1.84 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 4 V 8.56 4.33 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 0.70 0.00 0.00 0.92 0.00 0.00 5 T 8.54 4.52 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 1.21 0.00 0.00 6 I 8.20 4.51 1.87 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 1.41 0.63 0.90 0.00 0.00 7 T 8.25 4.60 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 1.21 0.00 0.00 8 L 8.15 4.86 0.00 1.58 1.52 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.34 4.52 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.70 4.37 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.30 4.39 0.00 2.85 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 12 L 8.01 3.91 0.00 1.71 1.80 0.93 0.50 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 13 L 8.09 3.94 0.00 1.79 1.84 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.39 3.94 0.00 2.20 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 2.34 2.56 0.00 15 T 8.22 3.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 16 L 8.24 3.94 0.00 1.76 1.87 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.48 4.35 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.10 4.12 0.00 4.06 4.15 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 19 L 7.77 4.18 0.00 1.80 1.96 0.94 1.53 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 20 S 8.13 4.67 0.00 4.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.35 4.19 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 R 8.43 4.16 0.00 1.76 1.95 0.00 3.19 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 23 R 7.23 4.36 0.00 1.75 1.45 0.00 3.13 0.00 0.00 3.10 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 24 G 7.75 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 25 Y 7.55 4.78 0.00 3.18 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 26 N 8.91 4.79 0.00 2.85 2.98 0.00 0.00 5.99 8.04 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 27 N 7.77 4.99 0.00 2.85 2.90 0.00 0.00 5.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.66 3.78 0.00 1.88 1.95 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 29 S 8.17 4.08 0.00 3.85 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 30 E 7.93 3.72 0.00 2.00 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 2.06 2.26 0.00 31 A 7.08 2.65 1.17 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 0.00 0.00 32 I 7.96 3.61 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.88 0.00 0.00 33 R 7.63 3.84 0.00 2.15 1.87 0.00 3.06 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 1.60 1.69 0.00 34 D 8.32 4.36 0.00 2.90 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 35 I 7.46 3.76 1.88 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 1.58 1.34 0.94 0.00 0.00 36 L 8.14 3.95 0.00 1.80 1.73 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.12 3.88 0.00 1.98 2.11 0.00 3.10 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 1.64 1.67 0.00 38 S 8.63 4.22 0.00 4.02 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 39 A 6.00 3.96 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 40 L 8.16 3.99 0.00 1.71 1.90 0.92 0.98 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 41 A 8.10 4.21 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 42 Q 8.16 4.34 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 43 E 7.62 4.65 0.00 2.14 1.92 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 2.24 2.30 0.00 44 A 7.67 4.69 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 45 T 8.11 4.36 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 46 Q 8.42 4.63 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 47 Q 8.42 4.51 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.46 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 48 H 8.15 4.65 0.00 3.09 3.32 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.30 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 0.00 0.00 0.00 50 T 7.91 3.81 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 1.22 0.00 0.00 51 Q 8.55 4.71 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 52 G 7.21 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.18 5.26 0.00 2.83 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 54 A 9.15 5.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.72 4.77 2.12 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 0.97 0.00 0.00 0.98 0.00 0.00 56 L 8.87 4.62 0.00 1.97 1.73 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.29 5.08 0.00 3.82 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 58 Y 7.83 5.26 0.00 3.15 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 59 V 8.54 5.79 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 1.09 0.00 0.00 1.03 0.00 0.00 60 Y 7.97 5.49 0.00 3.26 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.73 4.83 0.00 1.91 1.81 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 2.54 2.13 0.00 62 H 8.54 4.33 0.00 3.32 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.63 4.26 0.00 1.84 2.00 0.00 0.00 0.00 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 2.29 0.00 64 K 7.58 4.12 0.00 2.07 1.73 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.65 7.81 65 R 9.54 3.83 0.00 1.89 1.95 0.00 3.52 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 66 D 8.17 4.48 0.00 2.85 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 67 L 8.54 3.93 0.00 2.06 2.14 1.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.81 4.31 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.11 4.35 0.00 4.07 4.15 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 70 R 8.28 3.85 0.00 2.01 1.91 0.00 3.09 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 71 I 8.20 3.46 1.89 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 0.81 0.00 0.00 72 V 7.43 3.62 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 1.15 0.00 0.00 1.06 0.00 0.00 73 S 8.11 4.08 0.00 4.07 3.97 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 0.00 0.00 0.00 74 T 8.27 3.97 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 1.16 0.00 0.00 75 Q 8.26 4.30 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 76 H 8.43 4.40 0.00 3.28 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.58 4.56 0.00 2.96 3.37 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.90 5.11 0.00 3.61 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.38 4.30 0.00 3.20 3.53 0.00 5.51 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.79 4.50 0.00 2.59 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 81 L 8.20 4.42 0.00 1.18 1.35 0.73 0.67 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 82 S 7.57 4.63 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.20 3.90 2.12 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 0.78 0.00 0.00 0.76 0.00 0.00 84 A 7.34 4.61 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 85 T 8.50 5.01 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 1.27 0.00 0.00 86 L 9.18 4.64 0.00 1.70 1.50 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.82 5.32 0.00 3.22 3.09 0.00 5.78 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 88 V 8.22 4.22 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 0.87 0.00 0.00 0.92 0.00 0.00 89 H 8.75 4.57 0.00 3.22 3.26 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.86 3.99 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 1.51 0.55 0.97 0.00 0.00 91 N 7.69 4.32 0.00 2.79 2.81 0.00 0.00 5.95 7.90 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 92 H 9.18 4.18 0.00 3.10 3.43 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.38 4.50 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.24 5.22 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.37 5.03 0.00 2.36 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 96 L 8.53 5.03 0.00 1.76 1.64 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.62 4.96 0.00 1.22 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 2.21 2.35 0.00 98 I 8.59 4.77 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.90 0.00 0.00 99 A 9.25 4.91 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 0.00 100 V 8.60 4.48 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 1.01 0.00 0.00 0.96 0.00 0.00 101 L 8.49 5.00 0.00 1.44 1.25 0.69 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.87 4.31 0.00 0.79 1.08 0.00 1.14 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.97 0.66 7.81 103 G 8.30 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 0.00 0.00 0.00 104 D 8.29 4.78 0.00 2.64 2.90 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 0.00 0.00 0.00 *106 G 8.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.28 4.23 0.00 2.60 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 0.00 108 V 7.76 3.30 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 0.96 0.00 0.00 0.77 0.00 0.00 109 Q 8.04 3.97 0.00 2.06 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 110 H 8.48 4.06 0.00 3.37 3.43 0.00 5.68 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 0.00 111 F 9.13 3.95 0.00 2.94 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 0.00 112 A 9.21 4.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.37 4.28 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.67 4.57 0.00 2.63 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 0.00 115 V 7.54 3.90 1.92 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 0.04 0.00 0.00 0.43 0.00 0.00 116 I 7.84 3.40 1.82 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 0.81 0.91 0.00 0.00 117 A 7.96 4.03 1.27 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 0.00 0.00 118 Q 7.40 3.77 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 119 R 8.43 4.02 0.00 1.76 1.83 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 120 G 9.30 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.35 4.72 2.12 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 1.21 0.00 0.00 0.89 0.00 0.00 122 R 8.34 4.29 0.00 1.77 1.59 0.00 3.31 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 123 H 8.70 4.22 0.00 3.29 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.03 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 0.00 125 H 8.94 4.93 0.00 3.28 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.39 5.00 0.00 1.65 1.46 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.40 4.56 0.00 2.30 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 128 C 8.80 4.94 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.61 4.86 0.00 1.59 1.53 0.93 0.77 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 0.00 130 P 0.00 4.86 0.00 2.08 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 131 K 8.03 4.20 0.00 1.82 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.