NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6779 8.4201 119.2045 53.1175 41.6852 175.2654 0 A 4.0979 7.8844 126.8142 52.3525 18.1400 177.1828 2 K 3.9144 9.1782 114.7666 57.7374 32.0350 173.2685 3 K 4.0680 8.3210 129.7312 57.5421 32.8239 176.5426 4 G 3.8317 8.7904 107.5062 44.6242 0.0000 172.6727 5 T 4.3924 8.1858 105.9210 61.1468 70.0556 174.5648 6 V 4.0026 7.5489 122.3120 61.8704 30.2290 174.5997 7 L 4.2709 8.0820 126.2721 56.0893 42.6466 178.0739 8 N 4.4507 7.9788 117.7347 53.2957 40.3851 175.5881 9 S 4.1220 8.6357 123.0009 61.6561 63.2254 176.5919 10 E 3.9674 8.2102 121.7794 59.0926 29.3613 179.1790 11 I 3.7028 7.9328 119.7351 64.4487 37.2805 178.6045 12 S 4.1211 8.1995 116.0420 61.6217 62.4444 176.7751 13 S 4.0852 7.8897 114.6922 61.4010 62.5714 176.2873 14 V 3.7702 8.1231 122.2711 64.8858 31.2617 178.3854 15 I 3.7385 7.9243 120.7770 63.9770 36.7836 178.1448 16 S 4.3905 7.9236 112.6201 59.9400 63.0276 175.3841 17 R 4.4770 7.3679 120.1735 54.9646 30.9104 175.9598 18 L 4.2652 7.3470 120.1043 54.4651 42.4122 176.5839 19 G 4.1312 9.3557 111.6847 43.0278 0.0000 171.8080 20 H 4.4346 8.6077 118.6457 58.1423 29.7669 175.3796 21 T 3.4752 8.8839 116.2038 61.6080 68.7963 171.9535 22 D 4.6632 7.9020 122.9204 54.9233 42.2543 175.4959 23 T 5.1562 8.4133 110.6860 59.9141 72.6500 172.4030 24 L 5.0839 8.7590 123.9136 53.4706 45.8367 174.9469 25 V 4.8347 8.7132 125.9591 61.1963 34.0783 174.2086 26 V 4.9356 8.7019 127.8118 61.3504 33.6692 174.1675 27 C 5.6790 9.0756 122.0563 56.3911 33.5128 172.8794 28 D 5.2830 9.4274 119.7691 52.0640 41.0278 177.1965 29 A 4.0953 9.0244 121.3676 54.1178 18.2744 178.4634 30 G 3.9754 8.1665 103.0061 44.8295 0.0000 173.7354 31 L 4.1263 7.5454 122.8138 54.0263 42.6173 174.8789 32 P 4.4849 0.0000 0.0000 62.5441 32.1705 175.5735 33 I 4.4636 7.9941 120.8123 58.8438 39.2594 174.0638 34 P 4.4802 0.0000 0.0000 62.2955 31.8026 177.0025 35 N 4.6296 8.5721 117.7440 54.2276 37.6984 175.8313 36 S 4.4320 7.9066 112.7233 59.1698 63.5708 173.5871 37 T 4.6014 7.4353 114.6595 59.9208 70.4082 173.0003 38 A 4.1960 8.0704 128.1702 51.9845 19.7869 176.4196 39 R 4.6240 8.5628 122.0586 54.8307 31.8419 175.5449 40 I 4.3444 8.7142 128.8965 59.8286 38.6577 174.6435 41 D 4.9106 8.5221 126.4222 52.8972 42.9836 175.3624 *43 A 4.0373 8.2823 123.5783 52.2864 19.0904 175.8940 44 L 4.2114 8.7549 124.8570 56.6900 43.1174 175.9230 45 T 4.3192 7.3594 109.9334 60.8109 70.0513 171.6432 46 Q 4.0666 8.6693 122.2056 57.7907 28.6409 178.1059 47 G 3.9096 9.3790 111.3636 45.3908 0.0000 172.9910 48 V 4.4656 8.1734 120.6351 60.3207 34.3420 173.3082 49 P 5.0646 0.0000 0.0000 62.0416 33.4383 175.7295 50 S 4.7454 9.7718 116.3991 57.2653 64.8036 175.1640 51 F 4.2466 9.1347 119.1311 59.7942 39.2421 176.7370 *53 Q 4.1835 8.1552 119.6066 55.7319 30.6425 177.8203 54 V 3.4931 7.5631 116.5066 65.9149 31.5354 178.1269 55 V 3.3620 7.5002 118.1358 65.9029 31.0270 177.3679 56 D 4.1880 7.7260 115.8502 57.4050 41.5698 177.9563 57 V 3.6865 7.7327 118.6121 65.9209 31.6039 177.9660 58 V 3.6011 7.9452 118.4495 66.2204 31.1891 177.5554 59 T 4.2284 7.7893 106.3532 63.2027 68.9674 176.3472 60 R 4.0850 7.7169 120.6765 58.0730 30.6813 176.6318 61 E 4.4613 7.7386 118.1874 55.6825 29.9107 176.7391 *63 Q 4.2276 7.8138 117.4428 56.0002 30.6923 175.3990 64 V 4.7967 8.7216 125.1053 61.2575 32.6958 175.2016 65 E 4.6745 9.2340 125.0490 56.8696 31.8811 175.2313 66 A 4.9418 7.6002 119.9255 51.0283 22.9802 174.7876 67 A 5.1649 9.3156 120.7048 50.2838 22.9442 175.2867 68 I 4.9592 8.9964 122.3478 59.5250 40.5191 174.8906 69 L 5.3694 8.6979 124.8145 52.6081 46.5268 175.8237 70 A 4.7341 8.1706 123.5095 52.0883 19.3410 179.0590 71 T 3.8863 8.9297 119.8836 66.8356 68.4533 176.8508 72 E 3.7069 7.8759 119.7893 59.0979 29.1926 179.0065 73 I 3.6941 7.5131 118.7761 63.5419 37.6959 178.0151 74 K 3.6679 7.4925 118.9459 59.5354 31.9653 178.9278 75 Q 4.0924 7.7856 116.1009 58.4315 29.0351 177.5679 76 Q 4.4835 7.7698 115.8730 55.8207 30.5447 175.6467 77 N 5.0251 8.1761 119.9081 50.5424 39.5453 173.7267 78 P 4.2595 0.0000 0.0000 66.0513 31.7438 177.6420 79 Q 3.9339 8.0319 118.8352 59.0041 29.0063 177.9731 80 L 4.0032 7.8387 120.8715 58.0924 42.2240 177.8179 81 H 4.1507 8.4608 118.6581 59.5288 29.7694 176.6620 82 E 3.9066 8.5207 121.0535 59.6897 29.5021 178.8867 83 T 3.9262 7.9976 115.7645 66.4948 68.4414 176.4708 84 L 4.0966 8.2740 122.3936 58.1458 42.1418 178.9608 85 L 4.0294 8.0763 118.9723 58.0737 41.5560 179.5520 86 T 3.8598 7.9844 115.6182 66.9183 68.3364 176.0438 87 H 4.3080 8.3246 119.9031 59.4726 29.9649 177.3293 88 L 3.8949 8.3819 121.0815 57.5367 41.2102 179.2080 89 E 3.9299 8.2894 119.5930 59.4741 29.6408 178.9737 90 Q 4.0152 8.1369 118.1287 58.4950 28.7492 178.2541 91 L 3.8931 8.0982 122.0460 58.2842 42.2080 179.1215 92 Q 4.2924 8.0940 117.4671 59.2817 28.1436 178.5865 93 Q 3.9524 7.6418 119.0540 59.2409 28.9264 177.9551 94 H 4.2755 8.0556 117.6324 59.3464 29.9441 176.9975 95 Q 4.1903 8.6390 119.4022 56.4882 28.5639 176.7582 96 G 3.8790 8.1547 107.5404 46.1428 0.0000 172.6424 97 N 4.9171 7.8586 116.5312 51.1853 40.1882 172.3995 98 T 4.4049 8.2681 112.0089 60.5136 69.2424 173.6486 99 I 4.2727 8.5624 131.0283 60.5967 37.9401 175.8923 100 K 4.2174 8.7426 129.7879 56.2183 33.2887 175.4566 101 I 5.0369 8.3772 127.9823 59.5803 39.4561 174.9457 102 S 4.7378 8.6107 120.0567 56.8827 66.9827 172.2962 103 Y 5.3466 8.5585 117.4217 56.5769 41.1912 174.8078 104 T 4.9794 8.8684 112.3582 59.7085 73.2523 173.3832 105 T 4.2742 8.4394 111.2971 61.6224 69.5874 174.6979 106 H 4.1841 8.6641 122.2516 59.6222 29.7202 177.4295 107 E 3.9577 8.2756 119.8455 59.7108 29.2990 179.0975 108 Q 4.0214 8.0952 118.9879 58.7705 29.0921 177.6763 109 F 4.0146 8.5485 122.2262 61.3815 39.2269 177.1399 110 K 4.0416 8.2399 116.6997 59.6058 32.2439 179.1168 111 K 4.1171 7.9315 118.1946 59.5194 31.9901 179.4689 112 L 3.9938 8.1368 119.5092 57.7189 41.5018 179.5970 113 T 3.7894 7.7552 109.6222 64.4368 68.3247 176.2845 114 A 4.0739 7.6651 122.6067 54.2814 18.4005 178.1395 115 D 4.7025 7.5863 115.4383 53.3292 41.5348 176.7857 116 S 4.8364 7.0504 114.1878 56.8864 64.4041 174.5078 117 Q 4.0794 8.8850 120.1349 58.8454 28.9274 176.1594 118 A 4.8995 7.3427 113.6004 50.9525 23.4217 175.4784 119 V 4.6452 8.7115 120.4458 61.2652 34.1049 174.6632 120 I 4.6791 9.0982 130.1105 59.9849 38.4630 174.8389 121 R 4.6838 8.8637 129.8017 55.5676 30.6257 176.3575 122 S 4.6256 8.8417 122.0476 56.9306 65.5673 174.0290 123 G 4.0273 8.9286 105.3140 46.3075 0.0000 173.3354 124 E 4.4715 8.3686 123.1321 56.6020 30.2948 177.1947 125 C 4.6094 8.7173 122.5621 59.4754 29.8328 174.3308 126 S 4.3409 7.3766 114.2784 57.1330 63.3347 172.2202 127 P 4.1420 0.0000 0.0000 63.5958 31.6902 175.7933 128 Y 3.4417 7.6711 117.2775 59.1614 35.7866 171.5862 129 A 3.9385 7.4200 120.4179 50.5946 16.3205 177.2791 130 N 5.5971 7.5667 116.7413 50.8102 43.2405 175.2565 131 V 5.0557 9.5368 122.3510 60.2344 35.5531 174.2556 132 I 4.6659 8.9749 124.5589 59.9669 38.9834 174.4401 133 L 5.0182 8.9667 128.1111 53.4553 43.7986 175.2567 134 C 5.1123 8.9679 121.5981 57.8563 30.6159 173.0580 135 A 4.6429 9.0850 126.6243 51.8726 19.1279 176.6586 136 G 4.3806 8.1518 107.1790 46.5109 0.0000 172.9873 137 V 4.6680 8.3618 113.8880 59.7240 35.8404 176.1111 138 T 4.1623 8.3187 116.2715 63.8705 68.6261 174.8240 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 -1 N 8.42 4.68 0.00 2.70 2.91 0.00 0.00 6.95 7.08 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 A 7.88 4.10 1.22 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 2 K 9.18 3.91 0.00 1.81 2.11 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.32 4.07 0.00 1.79 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.79 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 0.00 0.00 0.00 5 T 8.19 4.39 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 1.21 0.00 0.00 6 V 7.55 4.00 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 0.82 0.00 0.00 0.99 0.00 0.00 7 L 8.08 4.27 0.00 1.67 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.98 4.45 0.00 2.75 2.68 0.00 0.00 6.99 7.63 0.00 0.00 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 S 8.64 4.12 0.00 4.08 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 10 E 8.21 3.97 0.00 2.17 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 2.40 2.34 0.00 11 I 7.93 3.70 1.86 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 1.51 0.87 0.90 0.00 0.00 12 S 8.20 4.12 0.00 4.01 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 13 S 7.89 4.09 0.00 3.87 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 14 V 8.12 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 15 I 7.92 3.74 1.95 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 1.57 1.20 0.91 0.00 0.00 16 S 7.92 4.39 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 17 R 7.37 4.48 0.00 1.96 1.97 0.00 3.16 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 18 L 7.35 4.27 0.00 1.80 1.60 0.92 0.58 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 19 G 9.36 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 0.00 0.00 0.00 20 H 8.61 4.43 0.00 3.08 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.88 3.48 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 0.93 0.00 0.00 22 D 7.90 4.66 0.00 2.77 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 23 T 8.41 5.16 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 1.21 0.00 0.00 24 L 8.76 5.08 0.00 1.72 1.47 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.71 4.83 2.11 0.00 0.00 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 0.86 0.00 0.00 26 V 8.70 4.94 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 0.90 0.00 0.00 0.87 0.00 0.00 27 C 9.08 5.68 0.00 3.33 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 28 D 9.43 5.28 0.00 3.01 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 29 A 9.02 4.10 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 30 G 8.17 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 31 L 7.55 4.13 0.00 1.80 1.66 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.48 0.00 2.24 2.05 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.99 4.46 1.89 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 1.45 0.87 0.93 0.00 0.00 34 P 0.00 4.48 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.57 4.63 0.00 2.83 2.94 0.00 0.00 6.12 7.64 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 36 S 7.91 4.43 0.00 3.99 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 37 T 7.44 4.60 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 1.24 0.00 0.00 38 A 8.07 4.20 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 39 R 8.56 4.62 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.71 4.34 1.88 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 1.11 0.67 0.91 0.00 0.00 41 D 8.52 4.91 0.00 2.69 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 *43 A 8.28 4.04 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 44 L 8.75 4.21 0.00 1.59 1.86 0.92 0.81 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 45 T 7.36 4.32 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 46 Q 8.67 4.07 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.38 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 48 V 8.17 4.47 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 1.07 0.00 0.00 1.00 0.00 0.00 49 P 0.00 5.06 0.00 2.15 2.15 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 50 S 9.77 4.75 0.00 4.08 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 51 F 9.13 4.25 0.00 3.11 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 *53 Q 8.16 4.18 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.56 3.49 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 1.01 0.00 0.00 0.91 0.00 0.00 55 V 7.50 3.36 1.71 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 0.86 0.00 0.00 0.13 0.00 0.00 56 D 7.73 4.19 0.00 2.50 2.76 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 57 V 7.73 3.69 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 0.92 0.00 0.00 0.95 0.00 0.00 58 V 7.95 3.60 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 0.97 0.00 0.00 0.92 0.00 0.00 59 T 7.79 4.23 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 1.29 0.00 0.00 60 R 7.72 4.09 0.00 2.01 2.02 0.00 3.11 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 61 E 7.74 4.46 0.00 1.95 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 2.25 2.24 0.00 *63 Q 7.81 4.23 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 V 8.72 4.80 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 0.86 0.00 0.00 0.93 0.00 0.00 65 E 9.23 4.67 0.00 2.06 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 2.36 2.24 0.00 66 A 7.60 4.94 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 67 A 9.32 5.16 1.18 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 0.00 0.00 68 I 9.00 4.96 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.96 0.00 0.00 69 L 8.70 5.37 0.00 1.42 1.59 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.17 4.73 1.07 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 71 T 8.93 3.89 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 1.07 0.00 0.00 72 E 7.88 3.71 0.00 1.16 1.12 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 1.76 2.08 0.00 73 I 7.51 3.69 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.31 0.93 0.00 0.00 74 K 7.49 3.67 0.00 1.67 1.67 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.03 7.81 75 Q 7.79 4.09 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 76 Q 7.77 4.48 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.34 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 77 N 8.18 5.03 0.00 2.79 2.63 0.00 0.00 6.81 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 78 P 0.00 4.26 0.00 2.31 2.42 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 79 Q 8.03 3.93 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 80 L 7.84 4.00 0.00 1.84 1.71 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.46 4.15 0.00 3.32 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.52 3.91 0.00 2.23 2.10 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 2.32 2.36 0.00 83 T 8.00 3.93 4.42 0.00 0.00 0.00 0.00 0.00 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 84 L 8.27 4.10 0.00 2.06 1.94 1.11 0.77 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 85 L 8.08 4.03 0.00 1.79 1.70 0.82 0.65 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 86 T 7.98 3.86 4.43 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 1.23 0.00 0.00 87 H 8.32 4.31 0.00 3.28 3.52 0.00 5.79 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 88 L 8.38 3.89 0.00 1.84 1.70 0.97 0.71 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 89 E 8.29 3.93 0.00 2.29 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 2.31 2.36 0.00 90 Q 8.14 4.02 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 91 L 8.10 3.89 0.00 1.67 1.75 0.93 0.91 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 92 Q 8.09 4.29 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 93 Q 7.64 3.95 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 94 H 8.06 4.28 0.00 3.11 3.44 0.00 5.95 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 95 Q 8.64 4.19 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 96 G 8.15 3.88 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 0.00 0.00 0.00 97 N 7.86 4.92 0.00 2.77 2.79 0.00 0.00 5.93 7.71 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 98 T 8.27 4.40 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 99 I 8.56 4.27 1.98 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 1.25 0.65 0.91 0.00 0.00 100 K 8.74 4.22 0.00 1.88 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.38 5.04 1.89 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 1.41 0.62 0.70 0.00 0.00 102 S 8.61 4.74 0.00 3.83 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 0.00 103 Y 8.56 5.35 0.00 2.88 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 0.00 104 T 8.87 4.98 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 1.26 0.00 0.00 105 T 8.44 4.27 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 1.23 0.00 0.00 106 H 8.66 4.18 0.00 3.34 3.43 0.00 5.79 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 0.00 107 E 8.28 3.96 0.00 2.05 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 2.45 2.35 0.00 108 Q 8.10 4.02 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 109 F 8.55 4.01 0.00 3.32 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 0.00 110 K 8.24 4.04 0.00 1.94 1.90 0.00 1.79 0.00 0.00 1.50 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 111 K 7.93 4.12 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.14 3.99 0.00 1.59 1.55 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.76 3.79 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 1.07 0.00 0.00 114 A 7.67 4.07 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 0.00 115 D 7.59 4.70 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.05 4.84 0.00 4.11 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 0.00 117 Q 8.88 4.08 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 118 A 7.34 4.90 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 0.00 119 V 8.71 4.65 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 120 I 9.10 4.68 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 1.11 0.54 0.91 0.00 0.00 121 R 8.86 4.68 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 122 S 8.84 4.63 0.00 4.10 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 0.00 123 G 8.93 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 0.00 124 E 8.37 4.47 0.00 2.35 1.91 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 2.28 2.39 0.00 125 C 8.72 4.61 0.00 2.96 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 0.00 126 S 7.38 4.34 0.00 3.78 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 0.00 127 P 0.00 4.14 0.00 2.11 1.83 0.00 3.79 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 2.17 2.04 0.00 128 Y 7.67 3.44 0.00 2.99 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 0.00 129 A 7.42 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.57 5.60 0.00 2.14 2.89 0.00 0.00 6.99 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 0.00 131 V 9.54 5.06 2.46 0.00 0.00 0.00 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 1.13 0.00 0.00 132 I 8.97 4.67 1.76 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.12 0.81 0.00 0.00 133 L 8.97 5.02 0.00 1.68 1.57 0.90 0.62 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 0.00 134 C 8.97 5.11 0.00 2.82 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 0.00 135 A 9.08 4.64 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 0.00 136 G 8.15 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 0.00 137 V 8.36 4.67 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 0.80 0.00 0.00 0.88 0.00 0.00 138 T 8.32 4.16 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 * Residues marked with a * may have inaccurate shift predictions.