NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5180 8.0276 120.5766 54.7903 43.2398 175.2945 5 N 5.2921 8.4217 119.5053 50.7525 41.0240 171.3273 6 I 4.7693 8.9261 119.9686 59.5887 42.1654 175.1067 7 K 4.7847 8.8120 127.4451 54.6299 35.8494 174.6155 8 F 5.3411 9.5431 125.8242 55.6666 40.8661 175.9067 9 T 4.1581 8.6871 114.3460 61.4537 69.8785 175.2750 10 D 4.3840 8.8871 121.2706 57.8149 40.7650 178.9528 11 N 4.4153 8.2422 116.1712 56.0560 38.5146 177.2998 12 A 4.1648 8.0242 122.3629 55.0943 18.5753 179.7793 13 V 3.4381 8.1065 116.9650 66.2417 31.5315 177.8568 14 D 4.3152 8.3307 118.7976 57.5027 40.6809 178.1695 15 Y 3.7991 7.9023 119.7241 60.7915 38.7654 178.0374 16 L 3.6831 8.1352 120.0798 57.7268 41.5811 179.9327 17 K 3.8028 7.8359 118.2132 59.5244 31.8248 179.6784 18 R 3.8928 7.7632 117.1310 58.5792 29.9666 177.7588 19 R 4.0258 7.1604 115.2264 55.1924 30.3419 175.9098 20 E 3.6281 7.9692 117.1374 57.5299 27.6169 174.9654 21 I 4.0427 7.3238 108.5819 59.9432 38.6075 176.8154 22 L 3.7760 7.7200 123.5488 57.7198 41.9832 176.9324 23 D 4.5531 7.7299 115.3591 53.2446 39.9063 176.0914 24 K 4.4549 7.3558 120.1743 55.4267 34.2538 176.1476 25 I 4.3038 8.5347 122.3277 61.3503 37.9899 175.4805 26 L 5.2701 9.5533 127.8847 53.0304 44.6481 175.7085 27 I 4.8676 8.9849 123.6973 59.5258 40.1758 174.1090 28 L 5.1624 8.8956 130.8897 53.6843 43.1151 175.5682 29 I 5.0293 8.4964 118.5623 59.6557 41.6835 174.1704 30 T 4.2163 9.1459 113.5349 61.3379 69.9880 174.4556 31 D 4.8451 8.6165 123.7168 52.2567 41.6646 174.4873 32 D 4.7006 8.6945 120.8712 52.4415 39.8861 178.3049 33 G 4.3321 8.2925 108.3935 45.7506 0.0000 174.8442 34 G 3.7789 8.5454 108.0323 46.3160 0.0000 174.8370 35 G 4.0023 7.7967 109.0657 44.2116 0.0000 174.7561 36 K 3.8635 8.4575 118.7018 59.3116 32.6597 177.3445 37 Y 4.7863 7.6350 115.6270 57.5324 38.3792 175.2766 38 S 4.2829 7.8212 115.8903 60.0752 62.6686 172.6984 39 I 3.0587 9.5591 120.2565 61.6756 35.9635 172.0464 *49 H 4.8322 7.9703 125.2645 56.5777 31.2648 171.4066 50 F 5.4837 9.9639 122.6941 56.0272 43.9350 173.6703 51 S 4.8064 9.0342 113.4689 57.3310 66.9434 172.8339 52 I 4.8723 9.3121 122.8844 60.0088 39.1335 174.6046 53 I 4.8522 8.8693 128.9762 59.1263 39.4871 174.7174 54 W 5.3704 8.5200 123.9578 54.9368 31.0905 174.8705 55 L 4.9236 9.2095 121.2501 53.8337 45.9196 176.4525 56 D 4.8938 8.8754 117.6616 54.7683 41.8939 176.7965 57 K 4.7227 7.5392 116.5563 54.2481 36.2890 176.2848 58 V 3.4915 8.1611 113.9317 61.4661 32.2180 175.4901 59 D 4.8526 8.2642 122.7659 51.6772 41.9781 175.3061 60 P 4.4904 0.0000 0.0000 65.6387 31.2151 177.0827 61 D 4.3908 8.5921 117.9385 56.0809 41.0864 176.2507 62 Y 4.8829 7.9860 116.8274 55.6640 38.1889 173.1069 63 P 4.5716 0.0000 0.0000 63.9427 33.0088 177.4249 64 V 3.9303 7.8317 121.0288 62.6766 32.2576 175.2343 65 K 4.3216 8.7246 127.8410 55.9708 33.1894 176.4569 66 I 4.3349 7.9392 125.4091 59.3572 38.2826 175.7054 67 A 4.2894 8.4524 130.1510 52.3715 19.3777 175.7691 68 N 4.9916 8.4327 116.4009 52.1209 40.1492 173.9270 69 E 4.6274 8.7450 117.5774 56.5311 30.1324 176.6404 70 Q 4.5192 7.9605 115.8223 55.2444 29.3522 175.5852 71 N 4.4470 8.0597 113.3454 54.2672 35.9085 173.8904 72 V 4.0638 7.0353 115.1100 61.7506 32.6905 176.5090 73 K 4.3714 8.3592 127.3823 55.0681 31.4933 173.8356 74 I 5.0885 7.7457 123.3674 59.2573 41.1038 173.3555 75 Y 5.2626 9.4702 126.2121 57.1695 42.8043 173.4026 76 T 4.9531 8.8450 113.6219 62.1991 71.5989 171.7619 77 S 5.2175 8.7114 115.7307 55.9366 65.9395 174.6029 78 D 4.4311 8.7106 120.2223 57.3074 40.4255 178.6630 79 F 4.4062 8.2101 120.7806 61.6010 39.5213 176.9655 80 D 4.3111 8.2789 118.1572 56.7807 40.4602 178.7328 81 K 4.1387 8.3230 119.6129 59.6492 32.3388 179.1989 82 T 3.9532 7.3606 109.0816 64.0634 68.8326 175.4597 83 M 4.4266 7.4460 119.0300 54.4668 32.6894 175.8028 84 L 4.3526 7.2040 120.2615 53.5275 43.2729 175.0683 85 G 4.2159 7.8866 107.9536 42.7147 0.0000 170.4028 86 P 4.2694 0.0000 0.0000 63.5124 32.7149 175.6643 87 N 4.5035 8.6386 116.8187 53.7163 35.7014 173.5575 88 M 4.6132 7.9540 118.9064 55.2314 34.3466 177.3973 89 V 4.6369 8.7678 121.2945 61.3253 35.3772 173.6260 90 M 4.9950 8.8002 128.0005 53.9224 34.3753 174.0759 91 D 5.3067 9.3491 124.9834 52.6309 45.9810 173.4536 92 Y 5.1609 8.0146 121.0150 56.1103 42.1215 173.4909 93 N 4.1309 8.4681 121.0943 53.2143 40.2284 174.0781 94 A 3.3018 9.2452 120.1155 53.2763 16.0053 178.3046 95 G 4.0639 8.1744 104.3600 47.8433 0.0000 174.3698 96 S 4.5418 6.7525 112.7146 55.8962 66.3360 172.9469 97 L 4.9667 8.3568 122.2403 54.5816 43.1325 175.8999 98 S 5.1395 9.4464 117.7643 56.4138 66.4747 172.4315 99 L 5.2023 9.0221 125.4678 53.4199 44.6645 175.1864 100 S 5.1612 8.7458 119.4008 57.7227 67.5547 172.4994 101 S 4.5544 8.4995 112.0044 57.2106 65.2213 174.1726 102 D 4.4125 8.1559 118.7372 57.3022 40.4783 177.3486 103 E 4.1767 7.9163 116.6415 56.0296 30.3042 174.9926 104 G 3.7004 7.2347 104.8133 43.6404 0.0000 172.2059 105 L 4.3472 8.3367 122.1122 54.9779 42.6981 177.2963 106 L 4.3760 8.5249 126.2873 56.5591 42.7079 177.0109 107 D 4.4648 7.5949 115.8080 53.6590 43.6360 175.7247 108 G 3.9476 8.8873 115.5843 46.7919 0.0000 173.7256 109 S 4.7688 8.2691 114.0499 56.6986 62.2373 173.3002 110 V 4.1836 8.8378 125.0596 63.2359 32.4107 175.5389 111 D 5.0029 8.8432 127.0358 53.6462 43.1174 175.0580 112 I 5.1004 8.4523 120.8017 59.6711 40.1756 175.4149 113 G 4.1743 9.1963 113.2696 44.2101 0.0000 171.5240 114 N 3.4466 8.7694 122.3879 52.2730 38.9875 175.5089 115 G 3.3893 7.7796 113.8596 47.8251 0.0000 174.0222 116 A 3.9453 7.5627 122.8154 54.6711 18.4413 179.2879 117 A 3.8755 8.1366 119.1776 55.2168 18.3483 179.6843 118 L 3.9323 7.9150 117.3284 58.1179 41.7404 179.7933 119 L 3.9322 8.0188 118.6305 57.5708 41.4697 179.4079 120 K 3.8300 8.2946 119.4952 59.6384 32.0851 178.6488 121 A 3.9670 8.0375 120.8204 55.0849 18.0493 179.1111 122 N 4.2093 8.0997 114.2344 56.4940 38.8319 177.1769 123 K 4.0709 8.3735 121.0737 59.6137 32.0960 178.6320 124 N 4.3660 8.2097 116.0362 56.2724 38.5793 177.5961 125 V 3.7387 7.8230 119.4248 64.4785 31.3584 176.1457 126 Q 4.1463 7.6318 122.6480 56.0468 28.6616 175.4673 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 4 L 8.03 4.52 0.00 1.57 1.63 0.90 0.22 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 5 N 8.42 5.29 0.00 2.82 2.82 0.00 0.00 5.65 6.80 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 6 I 8.93 4.77 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.52 0.74 0.00 0.00 7 K 8.81 4.78 0.00 1.76 1.49 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.60 7.81 8 F 9.54 5.34 0.00 2.85 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 9 T 8.69 4.16 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 1.26 0.00 0.00 10 D 8.89 4.38 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.42 0.00 2.92 3.12 0.00 0.00 7.01 7.41 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 12 A 8.02 4.16 1.55 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 0.00 0.00 13 V 8.11 3.44 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 0.96 0.00 0.00 0.97 0.00 0.00 14 D 8.33 4.32 0.00 2.88 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 15 Y 7.90 3.80 0.00 2.44 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 16 L 8.14 3.68 0.00 1.66 1.52 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.84 3.80 0.00 1.90 1.73 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.43 7.81 18 R 7.76 3.89 0.00 1.60 1.85 0.00 3.12 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 19 R 7.16 4.03 0.00 1.44 1.61 0.00 3.28 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.76 0.00 20 E 7.97 3.63 0.00 1.77 1.78 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 2.08 2.22 0.00 21 I 7.32 4.04 1.43 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 0.91 0.56 -0.22 0.00 0.00 22 L 7.72 3.78 0.00 1.40 1.57 0.56 1.07 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 23 D 7.73 4.55 0.00 2.76 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 24 K 7.36 4.45 0.00 1.80 2.16 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.65 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.19 1.06 7.81 25 I 8.53 4.30 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.90 0.00 0.00 26 L 9.55 5.27 0.00 1.65 1.65 0.90 0.86 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 27 I 8.98 4.87 1.63 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.33 0.00 0.00 28 L 8.90 5.16 0.00 1.67 1.62 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.50 5.03 2.27 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.96 0.00 0.00 30 T 9.15 4.22 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 1.08 0.00 0.00 31 D 8.62 4.85 0.00 2.67 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 32 D 8.69 4.70 0.00 2.84 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 33 G 8.29 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 34 G 8.55 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 35 G 7.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.86 0.00 1.59 1.78 0.00 1.15 0.00 0.00 1.49 0.00 0.00 3.04 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.16 0.33 7.81 37 Y 7.63 4.79 0.00 3.00 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 38 S 7.82 4.28 0.00 3.98 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.56 3.06 1.91 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 1.21 0.52 0.95 0.00 0.00 *49 H 7.97 4.83 0.00 3.28 3.19 0.00 5.80 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 50 F 9.96 5.48 0.00 2.90 2.96 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 0.00 0.00 0.00 51 S 9.03 4.81 0.00 4.01 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 52 I 9.31 4.87 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 1.03 0.00 0.00 53 I 8.87 4.85 1.42 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 -0.00 0.00 0.00 54 W 8.52 5.37 0.00 3.38 3.10 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 55 L 9.21 4.92 0.00 1.57 1.58 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.88 4.89 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 57 K 7.54 4.72 0.00 1.68 1.64 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 58 V 8.16 3.49 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.88 0.00 0.00 59 D 8.26 4.85 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.20 2.18 0.00 3.84 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 1.99 2.00 0.00 61 D 8.59 4.39 0.00 2.65 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 62 Y 7.99 4.88 0.00 2.94 2.97 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 63 P 0.00 4.57 0.00 2.26 2.22 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 64 V 7.83 3.93 2.34 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 0.97 0.00 0.00 1.02 0.00 0.00 65 K 8.72 4.32 0.00 1.60 1.50 0.00 1.77 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.76 1.46 7.81 66 I 7.94 4.33 1.84 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 1.15 0.54 0.86 0.00 0.00 67 A 8.45 4.29 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 68 N 8.43 4.99 0.00 2.83 2.90 0.00 0.00 5.98 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 69 E 8.74 4.63 0.00 1.97 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 2.22 2.30 0.00 70 Q 7.96 4.52 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 71 N 8.06 4.45 0.00 2.85 2.90 0.00 0.00 6.93 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 72 V 7.04 4.06 2.15 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 0.64 0.00 0.00 0.59 0.00 0.00 73 K 8.36 4.37 0.00 1.87 1.99 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.46 7.81 74 I 7.75 5.09 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.73 1.06 0.00 0.00 75 Y 9.47 5.26 0.00 2.88 3.07 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 76 T 8.84 4.95 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 1.36 0.00 0.00 77 S 8.71 5.22 0.00 4.02 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 78 D 8.71 4.43 0.00 2.73 2.84 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 79 F 8.21 4.41 0.00 3.14 3.14 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 0.00 80 D 8.28 4.31 0.00 2.95 2.84 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 81 K 8.32 4.14 0.00 2.01 2.18 0.00 1.34 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.46 7.81 82 T 7.36 3.95 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 1.20 0.00 0.00 83 M 7.45 4.43 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 84 L 7.20 4.35 0.00 1.67 1.53 0.94 0.80 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 85 G 7.89 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 86 P 0.00 4.27 0.00 2.20 2.16 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 87 N 8.64 4.50 0.00 3.17 2.82 0.00 0.00 7.64 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 88 M 7.95 4.61 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.33 0.00 89 V 8.77 4.64 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 0.88 0.00 0.00 0.86 0.00 0.00 90 M 8.80 5.00 0.00 1.94 1.56 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 91 D 9.35 5.31 0.00 2.74 2.45 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 92 Y 8.01 5.16 0.00 3.04 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 93 N 8.47 4.13 0.00 2.84 2.75 0.00 0.00 6.44 7.91 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 94 A 9.25 3.30 1.25 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 0.00 0.00 95 G 8.17 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 0.00 0.00 0.00 96 S 6.75 4.54 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 97 L 8.36 4.97 0.00 1.91 1.72 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 S 9.45 5.14 0.00 3.75 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 99 L 9.02 5.20 0.00 1.59 1.34 0.77 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.75 5.16 0.00 3.95 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 0.00 101 S 8.50 4.55 0.00 4.14 3.90 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 0.00 102 D 8.16 4.41 0.00 2.70 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 0.00 103 E 7.92 4.18 0.00 1.94 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 2.29 2.22 0.00 104 G 7.23 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 0.00 105 L 8.34 4.35 0.00 1.59 1.59 0.99 0.90 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 0.00 106 L 8.52 4.38 0.00 1.66 1.44 0.61 1.13 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 0.00 107 D 7.59 4.46 0.00 3.03 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 0.00 108 G 8.89 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 0.00 0.00 0.00 109 S 8.27 4.77 0.00 3.86 3.83 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 0.00 110 V 8.84 4.18 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 1.17 0.00 0.00 1.07 0.00 0.00 111 D 8.84 5.00 0.00 2.75 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 0.00 112 I 8.45 5.10 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 1.12 0.00 0.00 113 G 9.20 4.17 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 0.00 114 N 8.77 3.45 0.00 2.71 2.57 0.00 0.00 7.05 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 0.00 115 G 7.78 3.39 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 0.00 116 A 7.56 3.95 1.19 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 0.00 0.00 117 A 8.14 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 0.00 118 L 7.91 3.93 0.00 2.04 1.83 1.02 0.57 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 0.00 119 L 8.02 3.93 0.00 1.82 1.70 0.99 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.29 3.83 0.00 1.89 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 121 A 8.04 3.97 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 0.00 122 N 8.10 4.21 0.00 2.83 2.88 0.00 0.00 7.01 7.83 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 0.00 123 K 8.37 4.07 0.00 1.83 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 124 N 8.21 4.37 0.00 2.72 2.86 0.00 0.00 7.11 8.53 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 0.00 125 V 7.82 3.74 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 0.93 0.00 0.00 126 Q 7.63 4.15 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.