NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 V 4.0864 8.0549 117.9084 60.2990 33.8204 175.1460 5 I 4.1071 8.0640 123.1489 58.8903 38.9295 170.5233 6 E 5.1263 9.3654 129.6914 54.8860 31.6345 174.0261 7 Y 4.8825 9.0162 124.6536 56.3826 40.9380 174.9296 8 S 5.1727 8.7663 119.4146 57.6707 64.6001 173.6072 9 L 4.7167 9.0696 125.9554 53.4148 45.6040 176.1934 10 K 4.8938 8.6111 126.8407 53.8391 32.9910 174.0002 11 T 4.5595 8.5303 117.0448 59.9486 69.9915 175.1463 12 S 4.6564 9.5822 115.7850 57.7807 64.5693 173.2543 13 N 5.1724 7.8570 117.8231 50.9396 42.5420 174.5867 14 D 5.1995 9.0559 118.9592 55.5266 40.3087 175.9806 15 D 5.5186 7.7140 116.6130 51.4386 42.4360 175.2317 16 Q 4.6096 8.7586 118.8466 55.4844 33.2916 172.4015 17 F 5.1992 9.0265 124.7917 56.0886 40.8836 175.0080 18 I 4.5794 8.8720 125.0936 59.3993 39.7692 174.4253 19 D 4.5124 9.0486 127.9543 53.5264 41.3965 175.3443 20 I 4.2772 8.3317 119.7082 61.0113 38.1952 177.6679 21 T 3.7572 8.2711 120.8734 67.4596 68.0884 175.8704 22 N 4.3074 7.9947 118.0230 56.2989 39.1086 176.8101 23 L 3.5989 7.6144 120.3429 57.4568 41.6205 179.3939 24 V 3.6650 7.7104 118.3256 65.7422 31.4204 177.9561 25 K 3.9273 8.3666 119.8296 59.4955 31.9569 178.8324 26 K 3.9771 8.4263 118.8090 59.4510 32.0115 179.1336 27 A 4.0663 8.0626 120.5561 55.0300 18.0802 179.7313 28 V 3.5205 7.7138 115.6950 66.3873 31.7333 177.6055 29 D 4.5237 8.4389 118.8333 57.5741 40.4626 178.6822 30 E 4.0043 8.3930 118.4618 59.4899 29.5219 179.3891 31 S 4.2692 7.8644 113.4235 59.2991 63.2465 175.8349 32 G 3.9038 7.7899 108.7764 45.2610 0.0000 173.8188 33 V 3.7124 7.7720 120.9152 62.8820 32.1284 175.8495 34 S 4.5212 8.7175 121.4678 59.9570 63.7066 173.9557 35 D 5.1644 7.7934 120.5500 52.1081 45.0663 174.2716 36 G 4.5353 7.7124 112.2536 46.4890 0.0000 170.9092 37 M 5.3265 8.2688 120.2296 53.5435 36.8263 174.3114 38 A 5.0668 9.1510 124.4333 50.2774 21.7195 175.6201 39 V 4.6975 8.9909 123.3358 61.0234 34.3971 174.4726 40 V 4.9541 9.0360 128.1165 61.2121 33.9531 173.7715 41 F 5.2275 9.5076 130.7625 56.4618 42.8970 173.1114 42 C 4.6841 8.1866 127.0453 56.9387 32.6553 171.9512 43 P 4.6589 0.0000 0.0000 63.3453 31.0761 175.2502 44 H 4.9118 7.4571 116.8577 54.6071 29.9476 175.5676 45 T 4.2178 8.5005 113.1673 62.9322 69.4100 175.5384 46 T 4.3768 7.7475 112.1146 61.0147 69.1283 172.6771 47 A 4.8923 7.5710 121.9356 51.9570 23.0570 175.7667 48 G 3.8838 7.8428 104.0857 45.6917 0.0000 171.6773 49 I 5.0278 8.1307 120.0517 59.7649 40.4106 175.2009 50 T 4.7664 8.7500 119.6831 60.6408 71.8324 172.0212 51 I 5.1103 8.0430 123.7271 59.8258 40.1306 174.7575 52 N 4.7908 9.1944 124.1825 52.7969 43.1125 172.3121 53 E 4.6391 9.2678 121.0529 57.1536 30.1771 176.9407 54 N 5.8551 9.6395 122.0232 51.3963 38.9843 175.0263 55 A 4.4603 8.6462 119.8763 51.6756 20.0374 176.2903 56 D 4.4081 7.8003 118.5072 52.5036 42.8408 174.0388 57 P 4.2894 0.0000 0.0000 65.6174 31.1565 178.3069 58 D 4.3349 8.5667 118.0911 56.9908 40.6416 178.8951 59 V 3.5227 7.7205 119.3161 66.1446 31.5768 178.2797 60 T 3.2984 7.5926 109.1275 64.3177 68.5801 176.4110 61 R 3.7236 7.8675 121.5179 59.3477 30.1408 178.1507 62 D 4.3314 8.2776 118.9906 57.3770 40.7010 179.0519 63 I 3.6580 7.6366 120.0899 64.3052 37.1448 178.4167 64 L 4.0746 7.6534 119.7293 57.9379 41.4990 179.8474 65 V 3.5983 8.0854 118.4727 66.1172 31.5882 177.7587 66 N 4.4452 8.2796 116.1078 55.8508 38.4462 177.4545 67 L 4.0913 8.3557 121.0596 57.9022 41.5708 178.9953 68 D 4.3802 8.3582 117.9902 57.2030 40.9050 178.2340 69 K 3.9128 7.8197 119.4216 59.4249 32.2626 178.6138 70 V 3.6681 7.4376 117.1069 63.9407 32.6966 175.9862 71 F 4.9114 7.8234 116.9297 54.5345 38.9773 172.7650 72 P 4.8443 0.0000 0.0000 61.3468 32.4548 177.7914 73 K 3.7182 8.6368 118.7224 58.7238 32.1373 177.8323 74 V 4.4782 7.5577 117.6870 60.7662 33.3662 175.6547 75 G 3.8038 8.0274 113.9964 46.6664 0.0000 173.6538 76 D 4.4632 7.8953 115.3267 52.9085 39.6525 174.4837 77 Y 4.9428 7.4761 117.1320 55.7497 41.3998 176.0368 78 K 4.1830 8.9047 124.3716 58.6708 33.0184 177.1337 79 H 4.3303 8.2767 119.6128 56.1948 30.0047 176.3368 80 V 3.7575 8.2937 120.4243 64.0476 31.7024 177.3867 81 E 3.9374 7.5215 118.3734 57.4159 29.5273 177.6654 82 G 3.9197 8.0068 106.0342 45.9158 0.0000 173.2467 83 N 4.9674 7.8858 114.5350 51.9492 37.9955 176.4465 84 S 4.1093 8.1280 118.2715 62.4917 62.7372 175.6265 85 H 3.9495 7.7268 117.1814 58.8735 27.8097 177.3293 86 A 3.7846 7.1963 123.1746 55.0261 18.3328 179.2361 87 H 4.2683 7.7364 115.5490 58.3848 28.7657 177.9999 88 I 3.4783 7.7199 121.5397 64.3400 36.9235 178.7060 89 K 3.5495 7.6282 118.9918 58.9401 31.5165 179.1735 90 A 4.0765 7.9545 121.3935 55.5557 18.0918 179.9742 91 S 4.0019 7.5789 111.7570 61.5501 62.8908 176.6464 92 L 4.0941 7.4950 121.1399 57.9021 41.3916 179.1558 93 M 4.2225 7.9559 118.0650 57.7714 32.4833 177.0948 94 G 4.1146 7.6476 106.3495 44.2646 0.0000 174.4675 95 S 4.1487 8.5643 114.7636 59.7898 64.3689 173.5631 96 S 5.0070 7.5276 113.0600 57.5694 65.6983 173.1900 97 Q 4.8881 8.9932 119.1033 54.3616 33.4227 174.0370 98 Q 5.1694 8.5478 117.0935 54.8131 32.0845 174.4484 99 I 4.7410 8.6739 120.9776 59.4792 41.6705 174.9109 100 I 4.2031 8.4377 126.7423 61.4467 38.7175 174.7264 101 I 4.8488 8.8153 127.4808 59.6748 39.4190 174.3649 102 E 4.9926 8.8065 127.7251 53.8584 33.1124 175.1219 103 N 4.0277 10.1043 123.4320 54.4646 36.3020 174.9917 104 G 3.9628 8.7607 103.2796 45.8379 0.0000 174.3701 105 K 4.6431 7.7060 118.2979 53.6758 35.4664 175.8160 106 L 4.3968 8.4166 122.5000 55.0020 41.9418 178.1795 107 K 4.2528 8.9497 127.1342 54.8366 30.5563 175.3361 108 L 4.8120 7.6520 121.7643 52.1004 44.6488 177.0745 109 G 3.9036 9.1858 110.7686 44.6416 0.0000 172.8298 110 T 3.8070 8.2793 116.2461 64.3905 68.7240 174.6215 111 W 4.3638 7.9236 126.0377 56.8035 26.9054 173.2680 112 Q 5.0055 7.9755 118.7616 54.5752 29.9669 174.7462 113 G 4.2335 9.2754 113.1538 44.4597 0.0000 170.8728 114 I 4.9616 8.3390 121.2597 59.7266 39.3259 174.6493 115 Y 5.1755 8.9232 124.8526 55.9340 41.3747 174.6660 116 F 4.6025 9.1249 127.1255 58.0938 41.0106 174.1640 117 T 4.1453 7.9441 117.8902 59.6976 69.9260 172.8922 118 E 4.3690 8.8793 129.8152 55.8222 30.6281 176.5465 119 F 5.1166 8.4656 123.4751 56.6350 40.6988 174.9113 120 D 4.7806 8.5089 119.0781 53.2165 40.5160 174.3989 121 G 4.2942 8.6540 107.6896 43.7174 0.0000 171.4121 122 P 5.0467 0.0000 0.0000 62.6156 32.2477 176.0242 123 R 4.7096 8.7688 120.7712 54.8007 35.3947 173.8697 124 D 4.9339 8.6185 121.4087 54.1658 41.4660 176.1107 125 R 4.7449 9.3240 122.5983 54.1759 34.1095 174.9378 126 K 5.3130 8.9211 118.9132 54.7233 35.9300 176.1579 127 V 4.6139 8.6856 121.1096 60.1286 35.1055 174.1316 128 F 5.6664 9.0795 121.9938 56.0377 41.6653 174.7949 129 V 4.9512 9.1316 122.9374 61.0380 34.4656 173.8811 130 K 4.8341 9.3481 129.6239 54.6557 34.8307 174.4049 131 I 4.9103 8.4384 127.7510 59.6661 39.2984 175.6692 132 I 4.1961 8.6359 126.8978 61.4139 37.7358 175.4644 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 V 8.05 4.09 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 0.82 0.00 0.00 0.81 0.00 0.00 5 I 8.06 4.11 1.78 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 1.00 0.65 0.16 0.00 0.00 6 E 9.37 5.13 0.00 2.01 1.82 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 2.32 2.63 0.00 7 Y 9.02 4.88 0.00 2.92 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 8 S 8.77 5.17 0.00 3.78 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 9 L 9.07 4.72 0.00 1.09 1.21 0.25 0.73 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 10 K 8.61 4.89 0.00 1.52 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 0.98 7.81 11 T 8.53 4.56 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 1.13 0.00 0.00 12 S 9.58 4.66 0.00 3.90 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 13 N 7.86 5.17 0.00 2.89 2.72 0.00 0.00 6.88 8.08 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 14 D 9.06 5.20 0.00 2.78 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 15 D 7.71 5.52 0.00 2.85 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 16 Q 8.76 4.61 0.00 2.13 1.95 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 2.28 2.33 0.00 17 F 9.03 5.20 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.87 4.58 1.96 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 1.11 0.94 0.89 0.00 0.00 19 D 9.05 4.51 0.00 2.60 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 20 I 8.33 4.28 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.92 0.00 0.00 21 T 8.27 3.76 4.16 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 0.00 0.00 1.17 0.00 0.00 22 N 7.99 4.31 0.00 2.78 2.73 0.00 0.00 7.18 6.66 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 23 L 7.61 3.60 0.00 1.41 0.23 0.55 0.45 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 24 V 7.71 3.66 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 1.02 0.00 0.00 0.96 0.00 0.00 25 K 8.37 3.93 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.48 7.81 26 K 8.43 3.98 0.00 2.06 1.95 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.60 7.81 27 A 8.06 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.52 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 0.88 0.00 0.00 0.99 0.00 0.00 29 D 8.44 4.52 0.00 2.86 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 30 E 8.39 4.00 0.00 2.20 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 2.36 2.35 0.00 31 S 7.86 4.27 0.00 4.06 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 0.00 32 G 7.79 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 0.00 0.00 0.00 33 V 7.77 3.71 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 0.86 0.00 0.00 0.93 0.00 0.00 34 S 8.72 4.52 0.00 4.04 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 35 D 7.79 5.16 0.00 2.74 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 36 G 7.71 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 5.33 0.00 1.90 1.91 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 2.52 2.62 0.00 38 A 9.15 5.07 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 39 V 8.99 4.70 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 1.11 0.00 0.00 0.97 0.00 0.00 40 V 9.04 4.95 2.13 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 0.96 0.00 0.00 0.99 0.00 0.00 41 F 9.51 5.23 0.00 3.16 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 42 C 8.19 4.68 0.00 2.69 2.48 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 43 P 0.00 4.66 0.00 2.13 1.95 0.00 3.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.00 44 H 7.46 4.91 0.00 3.29 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.50 4.22 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 1.23 0.00 0.00 46 T 7.75 4.38 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 0.86 0.00 0.00 47 A 7.57 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.84 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 49 I 8.13 5.03 1.77 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 0.89 1.05 0.92 0.00 0.00 50 T 8.75 4.77 4.18 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 1.11 0.00 0.00 51 I 8.04 5.11 1.93 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 1.26 0.83 1.00 0.00 0.00 52 N 9.19 4.79 0.00 2.94 2.87 0.00 0.00 6.42 7.12 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 53 E 9.27 4.64 0.00 2.04 1.95 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 2.35 2.39 0.00 54 N 9.64 5.86 0.00 3.01 3.12 0.00 0.00 6.48 8.12 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 55 A 8.65 4.46 0.42 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 0.00 0.00 0.00 56 D 7.80 4.41 0.00 2.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.15 2.06 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 58 D 8.57 4.33 0.00 2.93 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 59 V 7.72 3.52 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 1.01 0.00 0.00 0.90 0.00 0.00 60 T 7.59 3.30 3.48 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 0.86 0.00 0.00 61 R 7.87 3.72 0.00 1.79 2.08 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 62 D 8.28 4.33 0.00 2.82 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 63 I 7.64 3.66 1.60 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 1.50 0.73 1.02 0.00 0.00 64 L 7.65 4.07 0.00 1.61 1.91 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.09 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 1.02 0.00 0.00 0.94 0.00 0.00 66 N 8.28 4.45 0.00 2.93 2.83 0.00 0.00 7.04 6.36 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 67 L 8.36 4.09 0.00 1.92 1.76 1.08 0.86 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 D 8.36 4.38 0.00 2.91 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 69 K 7.82 3.91 0.00 1.93 1.94 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 70 V 7.44 3.67 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 -0.10 0.00 0.00 0.86 0.00 0.00 71 F 7.82 4.91 0.00 3.17 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 72 P 0.00 4.84 0.00 2.36 2.09 0.00 3.48 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 73 K 8.64 3.72 0.00 1.72 1.80 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.98 1.33 7.81 74 V 7.56 4.48 2.13 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 0.84 0.00 0.00 0.97 0.00 0.00 75 G 8.03 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 0.00 0.00 0.00 76 D 7.90 4.46 0.00 2.49 2.37 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 77 Y 7.48 4.94 0.00 2.99 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 78 K 8.90 4.18 0.00 1.81 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 H 8.28 4.33 0.00 3.19 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.29 3.76 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 0.89 0.00 0.00 81 E 7.52 3.94 0.00 1.93 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 2.28 2.20 0.00 82 G 8.01 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 0.00 0.00 0.00 83 N 7.89 4.97 0.00 2.79 2.96 0.00 0.00 6.14 7.74 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 84 S 8.13 4.11 0.00 3.44 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 85 H 7.73 3.95 0.00 3.48 3.54 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.20 3.78 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 87 H 7.74 4.27 0.00 3.24 3.26 0.00 5.90 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 88 I 7.72 3.48 1.65 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 -0.11 0.00 0.00 89 K 7.63 3.55 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.12 1.24 7.81 90 A 7.95 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.58 4.00 0.00 3.90 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 92 L 7.50 4.09 0.00 1.67 1.69 0.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 93 M 7.96 4.22 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 3.00 0.00 94 G 7.65 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.56 4.15 0.00 3.36 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 96 S 7.53 5.01 0.00 4.11 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 97 Q 8.99 4.89 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 98 Q 8.55 5.17 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 99 I 8.67 4.74 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 1.24 0.55 0.92 0.00 0.00 100 I 8.44 4.20 1.88 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 1.35 0.73 0.91 0.00 0.00 101 I 8.82 4.85 2.05 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 1.12 0.88 0.98 0.00 0.00 102 E 8.81 4.99 0.00 1.96 1.72 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 2.18 2.10 0.00 103 N 10.10 4.03 0.00 2.88 2.86 0.00 0.00 7.09 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 0.00 104 G 8.76 3.96 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 0.00 0.00 0.00 105 K 7.71 4.64 0.00 1.91 1.64 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.50 7.81 106 L 8.42 4.40 0.00 1.62 1.61 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.95 4.25 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 108 L 7.65 4.81 0.00 1.62 1.64 0.95 1.00 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 0.00 109 G 9.19 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 0.00 0.00 0.00 110 T 8.28 3.81 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 0.95 0.00 0.00 111 W 7.92 4.36 0.00 3.52 3.38 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 0.00 112 Q 7.98 5.01 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 113 G 9.28 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 0.00 0.00 0.00 0.00 114 I 8.34 4.96 1.80 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 1.22 0.68 0.90 0.00 0.00 115 Y 8.92 5.18 0.00 2.74 2.40 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 0.00 116 F 9.12 4.60 0.00 3.04 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 0.00 117 T 7.94 4.15 3.43 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 0.24 0.00 0.00 118 E 8.88 4.37 0.00 2.25 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 2.31 2.48 0.00 119 F 8.47 5.12 0.00 3.05 2.92 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 0.00 120 D 8.51 4.78 0.00 2.58 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 0.00 121 G 8.65 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.05 0.00 2.09 1.96 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 123 R 8.77 4.71 0.00 1.72 1.76 0.00 3.14 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 124 D 8.62 4.93 0.00 2.55 2.61 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 0.00 0.00 0.00 0.00 125 R 9.32 4.74 0.00 1.36 1.62 0.00 2.79 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 126 K 8.92 5.31 0.00 1.57 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 127 V 8.69 4.61 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 0.93 0.00 0.00 1.14 0.00 0.00 128 F 9.08 5.67 0.00 3.11 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 0.00 129 V 9.13 4.95 2.29 0.00 0.00 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 1.19 0.00 0.00 130 K 9.35 4.83 0.00 1.83 1.64 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.36 7.81 131 I 8.44 4.91 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 1.38 1.19 0.93 0.00 0.00 132 I 8.64 4.20 1.88 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 1.09 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.