NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7539 8.2827 119.4695 53.6920 39.9961 171.0469 3 V 4.6540 8.0722 123.7266 60.2838 33.2138 173.0937 4 W 5.1354 10.1647 128.6099 55.0644 33.6618 173.8571 5 Q 5.3194 9.3074 122.0864 54.2857 31.8020 174.8744 6 V 5.0227 9.4114 122.3036 61.5091 34.2099 174.7115 7 V 4.8270 9.4857 121.2794 58.8107 35.1728 175.4715 8 G 4.2244 7.9383 112.7450 46.4628 0.0000 171.6851 9 Y 4.6151 7.4081 118.5963 56.2155 39.3177 174.9698 10 K 3.9976 8.6422 121.5604 58.7807 32.3504 175.6073 11 H 4.4161 9.0071 121.0739 56.9929 26.3059 176.1231 12 S 4.3779 8.0163 115.4759 59.5492 63.4009 174.7691 13 G 4.2583 8.7681 108.2840 45.0888 0.0000 175.5700 14 K 4.1087 7.7072 119.7322 60.0137 32.8362 178.7802 15 T 4.0927 8.0962 115.5312 66.9489 68.9466 175.6740 16 T 4.0403 8.1781 117.6258 66.8251 68.7432 177.1893 17 L 4.2289 8.0192 119.7765 56.0506 41.9154 178.3311 *19 E 4.3378 8.3341 117.7594 56.0113 31.4898 178.4716 20 K 4.0758 8.2620 118.1023 58.9775 31.9943 179.4182 21 W 4.2447 8.8248 129.2200 60.5085 30.6942 178.1343 22 V 3.5579 8.0331 117.5419 66.0664 30.8724 177.5549 23 A 3.9803 8.1585 120.1266 55.1619 18.2032 179.5156 24 A 3.7994 8.1399 119.0121 55.1042 18.4478 179.7019 25 A 3.2716 8.0684 119.3174 55.0588 18.4932 179.9915 26 V 3.5078 8.1146 117.1120 66.3296 31.4017 178.3696 27 R 3.9982 7.9086 116.7081 59.2596 29.9902 178.2030 28 E 4.0849 7.6051 115.5347 56.5248 29.3866 177.7496 29 G 3.9521 8.1555 107.7435 45.4002 0.0000 173.9810 30 W 4.7384 7.8514 118.8417 56.5235 30.3293 176.4216 31 R 4.4109 9.6934 122.2808 55.4180 30.4632 175.7088 32 V 4.8686 8.4471 124.1040 60.9651 34.1467 174.9270 33 G 4.2773 8.9622 112.9115 44.5478 0.0000 171.5844 34 T 5.3702 8.5651 111.2365 59.6905 72.4495 173.2635 35 V 4.5602 8.7403 122.1224 61.3090 34.9873 174.2598 36 K 5.1288 8.6902 125.8999 54.9112 35.9182 175.2570 37 H 4.4058 9.2650 124.0506 57.0319 30.0607 173.6878 38 H 3.8303 7.6674 120.0184 52.7977 33.7959 175.1396 *59 G 3.8117 8.4742 109.6643 45.3199 0.0000 172.9099 60 A 4.1703 7.7883 122.1125 51.9836 19.1578 178.4047 61 V 3.9912 8.4218 120.4334 65.3735 32.9224 175.8931 62 A 5.3959 7.8519 120.2684 50.4956 22.1718 175.6665 63 T 4.8453 9.0874 111.0043 60.0186 72.6323 172.8673 64 A 5.1499 8.4738 123.8481 50.6665 22.5984 175.4918 65 V 4.4147 9.0459 122.2042 60.9544 34.4653 173.9620 66 E 5.1531 8.5127 127.9221 54.3937 32.8835 175.1301 67 G 3.9300 9.0734 110.6148 46.4767 0.0000 173.2497 68 D 4.3912 10.0466 122.3032 55.1492 38.3713 175.1489 69 G 3.8828 8.2098 107.8019 45.0119 0.0000 173.9039 70 L 4.3940 7.8381 122.6003 53.2789 42.8158 174.3444 71 L 4.9550 8.4253 128.5136 53.4360 43.7748 174.8349 72 Q 4.6251 9.1556 128.5713 54.4562 30.8732 174.1208 73 L 5.3193 8.4492 125.4232 53.2560 45.6434 175.8110 74 H 4.7493 9.2591 118.9596 54.1737 32.0777 172.3488 75 L 5.2959 8.5983 123.1312 52.8431 44.3648 176.0469 76 R 4.9751 8.9873 124.3156 54.9995 31.9073 175.2264 77 R 4.4616 8.3834 123.3224 54.3031 33.0299 172.8403 78 P 4.3526 0.0000 0.0000 65.0717 31.4725 176.9439 79 L 4.5583 7.2094 117.0731 53.1262 44.9810 174.5603 80 W 4.8184 8.7971 125.6275 55.2415 30.6034 175.9678 81 R 4.6956 9.5465 123.2248 54.5782 31.5313 177.2321 82 L 3.5043 8.5876 121.7341 58.6541 41.8566 179.2343 83 D 4.2917 8.0680 117.9492 57.3831 40.4663 178.4199 84 D 4.4333 7.9421 118.8871 57.2902 41.1771 178.6910 85 V 3.4759 7.6182 118.1962 65.9599 31.7959 177.9962 86 L 3.7992 7.9528 118.5007 57.4480 41.0944 179.4043 87 A 4.0648 7.6930 120.3269 54.9411 18.3869 179.3132 88 L 4.1632 7.6458 116.3344 57.4079 41.9131 178.4696 89 Y 4.4938 7.8889 115.9159 59.6705 38.1056 177.0848 90 A 4.0306 7.8913 121.9549 55.0974 18.2590 177.7537 91 P 4.3476 0.0000 0.0000 64.2815 31.4992 176.9843 92 L 4.3208 7.8299 117.5546 53.7117 41.8773 176.7920 93 R 3.7118 7.2414 116.2692 57.0836 28.1271 176.6868 94 L 4.3246 7.5454 115.5154 54.8535 42.7905 177.4513 95 D 4.4924 8.7658 122.1432 56.0308 41.8934 176.7602 96 L 4.7040 7.5149 119.1171 53.7402 45.9487 174.1150 97 V 4.8109 8.8378 125.5224 61.1952 34.6558 173.8383 98 L 4.9305 8.7905 128.5794 53.1313 43.7286 175.5423 99 V 4.8018 9.1201 124.7049 61.0980 34.2117 173.8148 100 E 4.7054 9.5993 130.3547 57.6648 30.5341 174.0720 101 G 3.7423 8.6733 115.7220 44.9389 0.0000 171.9845 102 Y 3.5682 8.1961 111.3167 58.2050 35.5081 172.2714 103 K 4.1855 8.3607 119.6281 59.7772 32.6183 177.7071 104 Q 4.1458 7.9983 116.0256 57.9448 29.1335 176.2087 105 E 4.2114 8.4082 118.4803 56.7039 29.9355 176.4826 106 R 4.5469 8.0149 117.8942 56.3887 30.6436 176.6479 107 H 4.3798 7.8873 114.7442 54.4237 29.5950 173.4765 108 P 4.4595 0.0000 0.0000 63.1909 31.9594 175.2214 109 K 5.4131 8.9813 121.0314 55.3260 36.8170 174.8282 110 V 4.9275 9.2497 121.9111 61.4188 33.8675 174.3576 111 V 4.8807 8.9063 128.2668 61.3432 33.5122 174.0684 112 L 5.2177 8.9495 128.5188 53.3154 43.4594 176.4639 113 V 4.5286 8.5367 116.1977 59.8632 35.1592 176.9793 114 R 2.7759 8.9928 123.7253 57.5508 30.5140 176.6972 115 S 4.7757 7.1195 112.6534 56.7567 66.8774 174.6421 116 E 4.0692 8.8060 121.4735 59.2565 28.7333 178.0563 117 E 3.9260 8.1452 119.0697 59.3212 29.6342 178.3343 118 D 4.5272 8.0277 118.6068 57.2932 40.8755 178.6322 119 W 4.4654 8.3772 128.5966 60.4705 30.4417 177.7969 120 A 3.7406 8.1811 120.4299 54.6633 17.9197 178.9476 121 S 4.4147 7.6266 109.2043 59.2769 63.9040 175.2691 122 L 4.5390 7.2397 121.9837 54.7576 42.6717 177.9513 123 Q 2.8370 7.2617 116.5056 58.0706 28.3604 176.6936 124 H 4.6042 7.5402 114.2545 55.6140 28.9994 175.1092 125 L 4.1947 7.3074 119.8160 54.3033 41.4098 176.3125 126 A 4.3539 8.2750 122.7406 52.4768 19.9452 177.0303 127 N 4.0780 8.7680 117.2473 54.4056 37.4766 173.9423 128 I 4.3554 7.1993 114.2753 61.3006 37.4700 176.2484 129 R 4.7833 9.0690 124.0694 57.2322 31.9347 176.0306 130 A 4.6998 7.7221 118.0179 51.1148 22.7987 175.1690 131 V 4.8259 8.3997 118.7397 61.1000 35.1795 174.4193 132 I 4.9771 8.7798 127.6027 59.5397 40.2836 174.4968 133 A 5.3002 9.0955 128.0146 49.9272 22.5070 176.5760 134 W 4.5903 8.9955 119.1777 59.2184 29.4540 176.5319 135 E 4.9549 8.0365 116.1401 53.8096 32.9541 173.2612 136 P 4.3208 0.0000 0.0000 62.7432 32.0451 175.6111 137 L 4.6775 7.9119 119.0170 53.0418 43.9133 176.3714 138 E 4.2017 8.8633 121.4810 56.1054 30.4985 177.6589 139 G 3.9782 8.4030 110.2435 44.1198 0.0000 171.6126 140 P 4.5012 0.0000 0.0000 62.1937 31.9266 176.1019 141 L 4.6272 8.0582 121.1537 53.7687 44.5029 175.7880 142 A 4.4162 8.7062 127.7557 52.7156 18.9124 176.0175 143 H 5.2415 7.5039 112.6757 53.1273 33.0549 171.7151 144 P 4.1235 0.0000 0.0000 62.9184 32.4292 175.0417 145 V 4.6650 7.6178 121.0266 61.1187 33.9529 174.4465 146 F 4.9893 8.9639 125.4638 55.4877 43.2060 174.2228 147 S 4.8677 8.6647 115.1675 57.6020 63.1267 174.9279 148 L 3.9864 8.5286 127.5337 58.0085 41.9852 178.1315 149 A 4.1752 7.9533 120.1424 53.8652 19.1514 177.3577 150 D 4.7016 8.1687 117.6299 54.0749 40.5711 177.6355 151 D 2.0000 7.4058 120.9602 55.5947 39.5207 177.0253 152 D 4.2645 7.7599 118.9302 56.0748 41.0011 176.8692 153 E 4.3754 7.4045 118.8925 57.9515 30.9310 177.1571 154 Y 3.3656 7.1449 117.3700 59.3075 37.7092 178.1375 155 I 3.4211 6.9896 121.2409 63.9050 37.3488 176.2350 156 P 4.2743 0.0000 0.0000 65.0450 31.4244 178.2132 157 W 4.2176 7.9266 126.8518 60.2556 30.5759 179.4033 158 L 3.8111 8.0023 118.0728 54.7729 40.7654 178.6659 *160 N 4.5860 8.1847 119.4719 53.7116 40.7064 176.0981 161 E 3.7636 7.6316 116.7164 59.1954 29.1189 179.2597 162 V 3.9100 7.8735 118.4400 66.1099 31.5924 178.2742 163 R 4.0339 8.1049 117.5865 59.3196 29.7374 178.6744 164 T 4.2655 8.4939 107.2693 64.6474 69.3181 174.7602 165 R 4.3860 7.9778 126.3484 58.4312 29.4044 175.9136 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 N 8.28 4.75 0.00 2.79 2.93 0.00 0.00 6.61 6.83 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 3 V 8.07 4.65 1.86 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 0.56 0.00 0.00 0.84 0.00 0.00 4 W 10.16 5.14 0.00 3.02 3.23 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 5 Q 9.31 5.32 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 6 V 9.41 5.02 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 1.11 0.00 0.00 1.25 0.00 0.00 7 V 9.49 4.83 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 0.68 0.00 0.00 1.03 0.00 0.00 8 G 7.94 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 9 Y 7.41 4.62 0.00 3.04 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 10 K 8.64 4.00 0.00 1.70 1.72 0.00 1.85 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.08 7.81 11 H 9.01 4.42 0.00 3.55 3.61 0.00 5.77 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.02 4.38 0.00 4.04 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 13 G 8.77 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 0.00 0.00 0.00 0.00 14 K 7.71 4.11 0.00 1.78 2.04 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.57 7.81 15 T 8.10 4.09 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 1.26 0.00 0.00 16 T 8.18 4.04 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 17 L 8.02 4.23 0.00 1.73 1.86 0.83 0.91 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 *19 E 8.33 4.34 0.00 2.30 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 2.33 2.39 0.00 20 K 8.26 4.08 0.00 1.92 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 21 W 8.82 4.24 0.00 3.52 3.09 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 22 V 8.03 3.56 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 1.02 0.00 0.00 0.92 0.00 0.00 23 A 8.16 3.98 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 24 A 8.14 3.80 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.07 3.27 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 26 V 8.11 3.51 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 0.89 0.00 0.00 0.95 0.00 0.00 27 R 7.91 4.00 0.00 1.84 1.90 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 28 E 7.61 4.08 0.00 1.16 1.40 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 2.06 1.76 0.00 29 G 8.16 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 30 W 7.85 4.74 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.69 4.41 0.00 1.78 1.84 0.00 3.06 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 32 V 8.45 4.87 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 0.79 0.00 0.00 1.08 0.00 0.00 33 G 8.96 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 0.00 0.00 0.00 0.00 34 T 8.57 5.37 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 35 V 8.74 4.56 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 0.74 0.00 0.00 0.73 0.00 0.00 36 K 8.69 5.13 0.00 1.67 1.69 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 H 9.26 4.41 0.00 2.72 3.02 0.00 5.76 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 38 H 7.67 3.83 0.00 3.37 3.46 0.00 5.61 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 *59 G 8.47 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 0.00 0.00 0.00 60 A 7.79 4.17 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 61 V 8.42 3.99 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 1.08 0.00 0.00 0.95 0.00 0.00 62 A 7.85 5.40 1.23 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 63 T 9.09 4.85 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 1.23 0.00 0.00 64 A 8.47 5.15 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 65 V 9.05 4.41 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 0.96 0.00 0.00 0.95 0.00 0.00 66 E 8.51 5.15 0.00 1.97 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 2.17 2.22 0.00 67 G 9.07 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 0.00 0.00 0.00 68 D 10.05 4.39 0.00 2.82 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 69 G 8.21 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 70 L 7.84 4.39 0.00 1.73 1.70 0.90 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.43 4.95 0.00 1.65 1.52 0.92 0.75 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 72 Q 9.16 4.63 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 73 L 8.45 5.32 0.00 1.45 1.47 0.91 1.12 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 74 H 9.26 4.75 0.00 3.04 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.60 5.30 0.00 1.59 1.88 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.99 4.98 0.00 1.89 1.87 0.00 3.31 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 77 R 8.38 4.46 0.00 0.67 0.74 0.00 2.21 0.00 0.00 2.56 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.05 0.00 78 P 0.00 4.35 0.00 1.97 2.05 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 79 L 7.21 4.56 0.00 1.50 1.40 1.00 0.99 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 80 W 8.80 4.82 0.00 3.36 3.12 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 0.00 0.00 0.00 81 R 9.55 4.70 0.00 1.98 1.88 0.00 3.15 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 82 L 8.59 3.50 0.00 0.73 1.43 0.29 1.00 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 83 D 8.07 4.29 0.00 2.72 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 84 D 7.94 4.43 0.00 3.18 3.17 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 85 V 7.62 3.48 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 0.52 0.00 0.00 0.81 0.00 0.00 86 L 7.95 3.80 0.00 1.62 1.63 0.85 1.20 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 87 A 7.69 4.06 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 88 L 7.65 4.16 0.00 1.80 1.81 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.89 4.49 0.00 3.10 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 90 A 7.89 4.03 1.42 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 91 P 0.00 4.35 0.00 2.04 2.13 0.00 3.84 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 2.05 2.19 0.00 92 L 7.83 4.32 0.00 1.63 1.58 0.72 1.14 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 93 R 7.24 3.71 0.00 2.00 1.91 0.00 3.14 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 94 L 7.55 4.32 0.00 1.60 1.53 0.61 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.77 4.49 0.00 2.29 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 0.00 0.00 0.00 96 L 7.51 4.70 0.00 1.71 1.53 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.84 4.81 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 1.09 0.00 0.00 1.03 0.00 0.00 98 L 8.79 4.93 0.00 1.49 1.38 0.33 -0.74 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 99 V 9.12 4.80 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 1.05 0.00 0.00 0.84 0.00 0.00 100 E 9.60 4.71 0.00 2.12 1.90 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 2.29 2.33 0.00 101 G 8.67 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 0.00 0.00 0.00 102 Y 8.20 3.57 0.00 3.20 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 0.00 103 K 8.36 4.19 0.00 1.84 1.94 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 Q 8.00 4.15 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 105 E 8.41 4.21 0.00 2.27 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 2.57 2.46 0.00 106 R 8.01 4.55 0.00 1.68 1.84 0.00 3.18 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 107 H 7.89 4.38 0.00 3.10 3.28 0.00 5.71 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 0.00 108 P 0.00 4.46 0.00 0.49 1.50 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.91 0.00 109 K 8.98 5.41 0.00 2.00 1.99 0.00 1.40 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.44 7.81 110 V 9.25 4.93 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 0.93 0.00 0.00 1.26 0.00 0.00 111 V 8.91 4.88 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 1.21 0.00 0.00 1.11 0.00 0.00 112 L 8.95 5.22 0.00 1.53 1.80 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.54 4.53 2.31 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 0.99 0.00 0.00 0.87 0.00 0.00 114 R 8.99 2.78 0.00 1.18 0.66 0.00 2.70 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.20 0.00 115 S 7.12 4.78 0.00 3.95 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 0.00 116 E 8.81 4.07 0.00 2.15 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 2.60 2.49 0.00 117 E 8.15 3.93 0.00 2.06 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 0.00 2.32 2.37 0.00 118 D 8.03 4.53 0.00 3.11 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 0.00 119 W 8.38 4.47 0.00 3.38 3.28 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 0.00 120 A 8.18 3.74 1.35 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 0.00 0.00 0.00 121 S 7.63 4.41 0.00 4.13 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 0.00 122 L 7.24 4.54 0.00 1.70 1.70 0.78 0.39 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 0.00 123 Q 7.26 2.84 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 1.75 1.44 0.00 124 H 7.54 4.60 0.00 3.09 3.29 0.00 5.70 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 0.00 125 L 7.31 4.19 0.00 1.60 1.61 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.27 4.35 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 0.00 127 N 8.77 4.08 0.00 2.85 2.94 0.00 0.00 7.13 7.98 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 0.00 128 I 7.20 4.36 1.83 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.98 0.00 0.00 129 R 9.07 4.78 0.00 2.17 2.49 0.00 3.54 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 130 A 7.72 4.70 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 0.00 131 V 8.40 4.83 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 0.73 0.00 0.00 0.42 0.00 0.00 132 I 8.78 4.98 1.70 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.46 0.66 0.00 0.00 133 A 9.10 5.30 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 0.00 134 W 9.00 4.59 0.00 3.24 3.30 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 0.00 0.00 0.00 0.00 135 E 8.04 4.95 0.00 2.03 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 2.49 2.34 0.00 136 P 0.00 4.32 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 137 L 7.91 4.68 0.00 1.41 1.59 0.06 0.86 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 0.00 138 E 8.86 4.20 0.00 2.03 1.93 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 2.34 2.28 0.00 139 G 8.40 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 0.00 140 P 0.00 4.50 0.00 2.09 2.01 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 141 L 8.06 4.63 0.00 1.48 1.41 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.71 4.42 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 0.00 143 H 7.50 5.24 0.00 2.98 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.12 0.00 1.12 1.76 0.00 3.83 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 1.67 1.67 0.00 145 V 7.62 4.67 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 0.64 0.00 0.00 0.64 0.00 0.00 146 F 8.96 4.99 0.00 2.84 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 0.00 147 S 8.66 4.87 0.00 3.95 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 0.00 148 L 8.53 3.99 0.00 1.77 1.73 0.98 0.84 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 0.00 149 A 7.95 4.18 1.29 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 0.00 150 D 8.17 4.70 0.00 2.85 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 0.00 151 D 7.41 2.00 0.00 2.35 2.33 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 0.00 152 D 7.76 4.26 0.00 2.54 2.68 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 0.00 153 E 7.40 4.38 0.00 2.00 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 0.00 2.58 2.43 0.00 154 Y 7.14 3.37 0.00 2.26 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 6.99 3.42 1.75 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 1.26 0.64 0.78 0.00 0.00 156 P 0.00 4.27 0.00 1.99 2.06 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 157 W 7.93 4.22 0.00 3.49 3.20 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 0.00 158 L 8.00 3.81 0.00 1.03 0.43 -0.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *160 N 8.18 4.59 0.00 2.79 2.75 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 0.00 161 E 7.63 3.76 0.00 1.58 1.93 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 1.47 1.47 0.00 162 V 7.87 3.91 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 0.79 0.00 0.00 163 R 8.10 4.03 0.00 2.11 2.03 0.00 3.31 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.19 0.00 164 T 8.49 4.27 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 1.28 0.00 0.00 165 R 7.98 4.39 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.