NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2795 8.3044 118.1816 54.6016 33.3083 174.8122 2 V 3.7899 7.1045 119.7561 59.8115 33.7438 172.7745 3 L 4.3248 8.9979 119.2793 53.3673 43.4385 174.7640 4 L 5.1958 7.0989 132.2296 55.4634 43.2195 171.1358 5 T 5.3395 7.9405 122.6064 61.7865 71.8992 173.2045 6 M 5.3735 9.2516 124.6306 53.8658 36.9476 173.9702 7 I 4.6452 9.0473 124.2952 59.3231 39.9978 174.5809 8 A 4.5441 7.9979 127.9679 49.4197 22.8975 174.9625 9 R 4.0322 8.3526 122.0300 56.3687 30.4803 177.1684 10 V 3.2291 8.7900 127.9414 66.3545 31.4115 176.7732 11 A 3.8606 8.3333 120.7222 54.9800 18.3982 177.5652 12 D 4.5261 7.8963 114.7683 52.8915 40.8033 177.7004 13 G 3.6617 8.3325 108.3319 45.1633 0.0000 172.8675 14 L 3.8957 7.7982 122.2336 54.0486 43.0721 174.5521 15 P 4.0335 0.0000 0.0000 63.1913 31.8570 176.3036 16 L 4.5358 8.8428 123.5563 56.0594 44.0338 176.3509 17 A 5.1050 7.5725 117.6977 51.2021 22.6722 174.9139 18 A 5.4953 8.4228 120.9778 50.9791 23.1209 175.1772 19 S 4.5267 8.4718 108.6561 58.1867 65.6310 174.1952 20 M 4.9329 8.6549 125.5518 54.4585 36.1752 174.6079 21 Q 4.4779 8.4541 120.5005 55.1921 33.0540 173.9119 22 E 4.3323 8.9426 122.2231 58.2229 31.1670 177.1142 23 D 4.5707 7.6417 117.6589 53.6211 40.3053 175.4748 *29 D 4.4798 7.5217 118.7907 53.6828 42.8107 176.8566 30 L 3.9963 8.6476 122.4414 58.7463 41.8072 178.6518 31 Q 3.8826 8.0454 116.7852 60.4505 29.0752 178.4184 32 Q 3.9206 8.1380 118.8038 59.3759 29.2011 177.9693 33 Y 4.2465 7.9659 117.6094 60.9950 38.0669 178.8521 34 Q 4.0933 8.4895 121.2440 58.9330 29.1206 177.9968 35 S 4.0946 8.1244 115.3036 61.7055 62.9216 176.1824 36 Q 3.8153 8.1480 121.7706 58.3537 28.4418 178.8184 37 A 3.5422 7.9629 121.2677 55.3573 18.2694 179.9688 38 K 4.1136 8.0266 116.1685 59.1000 32.0393 179.8491 39 Q 3.9045 8.0977 119.3488 58.6324 28.6314 178.1288 40 L 3.7355 7.8643 121.6430 58.2577 41.8898 178.6944 41 F 4.4005 7.2553 116.1828 60.8598 38.9425 177.5240 42 R 4.0449 7.5855 116.6168 59.5551 30.0358 178.4097 43 K 4.0922 7.7240 116.7086 58.2339 32.3808 178.1262 44 L 4.0038 7.7245 119.0255 55.3615 42.4256 176.3291 45 N 4.9165 9.3136 119.8037 51.7444 39.9487 174.3700 46 E 4.2494 8.8278 114.7768 58.2531 29.7850 176.9227 47 Q 4.5303 8.8187 117.9268 55.9288 30.1612 176.2008 48 S 4.4187 7.6635 113.9384 57.2877 62.7889 172.3650 49 P 4.4372 0.0000 0.0000 62.8806 31.7358 177.8093 50 T 4.2959 8.6612 113.4009 64.4028 70.1249 174.1275 51 R 4.9739 7.7797 122.3569 55.2226 34.1927 173.7860 52 C 4.8806 7.9434 123.9046 57.8202 36.0788 172.5797 53 T 5.1435 9.2405 118.5043 61.7524 72.0129 173.1645 54 L 5.8531 9.0081 125.6220 52.2282 45.4864 175.2196 55 E 4.9657 8.8152 120.9507 54.0341 31.7402 176.2868 56 A 4.9983 8.3673 129.1697 50.8756 19.9897 175.7242 57 G 4.0235 7.7179 117.7738 45.6116 0.0000 175.1367 58 A 4.1829 8.7440 127.2036 53.5510 18.6032 176.6470 59 M 5.0174 7.5544 115.6913 54.0379 34.4634 175.5961 60 T 4.9497 8.0769 116.2536 62.9457 73.3362 173.3024 61 F 4.8771 9.2442 126.2894 57.1609 40.9859 174.7636 62 H 5.3859 9.4996 119.5227 54.3278 32.6358 172.1662 63 Y 6.2219 8.9979 120.0928 55.9490 42.1226 173.4229 64 I 5.2895 8.7194 111.6234 60.0265 41.4698 173.6063 65 I 5.3532 8.6490 122.9415 59.9712 41.0070 175.3526 66 E 4.5449 9.4751 124.8029 56.5952 33.9299 175.5494 67 Q 3.2580 9.6634 123.5391 57.2414 26.4861 174.3277 68 G 3.8883 8.1565 101.4634 45.9753 0.0000 172.5729 69 V 4.5272 7.5854 119.8455 60.7654 34.2840 173.7802 70 C 4.9307 8.7862 128.6279 58.0800 33.7054 171.7388 71 Y 4.6776 9.1891 124.6785 56.4959 39.3158 174.2511 72 L 5.5930 9.1869 127.7719 53.2641 45.1509 175.5460 73 V 5.1584 9.0526 123.8556 60.1139 35.1069 173.8044 74 L 4.7479 8.7885 124.2432 52.6319 45.4034 174.7984 75 C 4.8548 6.9973 118.1752 57.6798 33.1003 173.1061 76 E 4.2805 8.0383 119.2677 56.2465 29.6214 177.9502 77 A 4.0921 8.8048 126.7867 54.8513 18.5886 178.4369 78 A 4.0779 8.2217 116.9734 55.2512 18.4559 178.0928 79 F 4.1156 8.6028 117.5307 57.6472 40.0651 173.3953 80 P 4.0589 0.0000 0.0000 62.6127 31.7448 177.5619 81 K 3.9026 8.7057 124.1801 59.6290 32.3759 179.1568 82 K 4.1527 7.9471 119.7336 60.0957 32.5939 179.0581 83 L 4.1532 7.6768 119.5281 56.7940 41.6524 179.0228 84 A 4.1073 8.0531 121.0997 55.4298 18.2742 179.7737 85 F 4.0830 7.8721 114.6031 60.3989 38.9857 177.7398 86 A 4.0731 7.8162 120.0986 55.4475 18.0308 178.9680 87 Y 3.3056 7.6944 117.8164 60.6504 38.6652 178.4942 88 L 3.7125 7.5869 119.3274 57.5177 41.6183 179.1782 89 E 3.8912 8.8194 118.9421 59.6878 29.0375 179.0391 90 D 4.5153 8.1214 118.6679 57.4784 40.9049 179.1296 91 L 4.4892 7.6214 119.2582 59.0087 41.6458 178.0661 92 H 3.4175 8.2396 117.1429 59.0628 29.3273 176.7104 93 S 4.0303 7.9918 114.6460 61.6977 62.9303 176.4974 94 E 3.7382 7.8546 122.7328 58.5614 29.0240 178.5300 95 F 3.6541 8.7643 120.6978 61.2658 39.3716 176.3820 96 D 4.4740 8.9843 118.6161 57.3692 40.7617 177.8520 97 E 3.8464 8.1890 118.9173 59.4038 29.7153 178.5229 98 Q 4.0048 7.7275 116.7449 58.1690 29.2932 176.5568 99 H 4.6772 8.3991 114.1471 54.4692 30.5862 175.2507 100 G 3.9860 7.5952 109.1536 47.8435 0.0000 175.1612 101 K 4.1624 7.8409 116.6737 57.2964 32.7112 177.3718 102 K 4.3033 8.0919 119.6286 57.1166 33.2008 178.2301 103 V 3.7951 8.1904 119.1508 65.7637 31.1847 175.7491 104 P 4.5785 0.0000 0.0000 63.6545 30.8891 176.3506 105 T 4.3853 7.9289 109.9925 62.8913 70.4980 174.9856 106 V 3.8880 7.0573 114.2314 61.6051 32.0074 176.0309 107 S 4.5808 8.0189 110.6276 58.6630 66.3738 174.7284 108 R 4.2857 7.6224 120.1955 54.8051 30.8897 174.3065 109 P 4.2373 0.0000 0.0000 63.8450 32.2560 176.0639 110 Y 3.9547 8.2149 118.8144 58.3250 35.8831 172.3249 111 S 4.1558 8.1212 110.0148 59.6303 62.8452 174.8409 112 F 5.1058 8.2623 120.3625 55.9196 40.0456 177.0115 113 I 3.9011 8.2255 116.7656 64.2383 37.2200 176.1705 114 E 4.2504 8.2788 117.9077 57.7900 29.6188 177.5097 115 F 4.6906 8.6282 121.0622 58.6334 39.5166 176.0547 116 D 4.4104 8.4857 118.5733 58.6989 41.0407 177.8919 117 T 3.8087 7.9773 115.5046 66.7063 68.4801 175.7708 118 F 4.0141 8.0103 121.4836 61.5147 39.2995 176.8831 119 I 3.5468 6.9834 118.7357 64.9220 36.8524 178.3761 120 Q 4.0787 7.8735 118.1224 58.4283 28.3486 178.6249 121 K 4.0228 7.8891 119.1297 59.6807 32.9363 178.8752 122 T 4.1168 7.6909 116.9251 65.5840 68.5408 176.7745 123 K 3.7761 8.3460 122.1467 59.5867 32.0389 179.0191 124 K 4.0648 7.9023 118.5103 59.0049 31.7213 178.5806 125 L 4.3039 7.4855 116.1240 55.8504 41.5019 176.8439 126 Y 4.5783 7.8112 114.8429 57.3577 40.3806 175.9058 127 I 4.4409 6.9301 121.3056 59.4075 37.2752 177.3078 128 D 4.3627 7.5969 116.2408 53.4206 42.1746 175.4482 129 S 4.1666 8.4715 122.6761 60.3364 63.3186 175.1374 130 R 4.5627 7.3583 118.6000 52.5450 27.7471 174.6769 131 A 4.4635 8.1189 131.4737 51.8368 21.5718 177.9087 132 R 3.0910 7.2489 108.3806 57.2766 30.0476 175.5819 *148 I 4.0521 7.7528 118.9649 62.0561 38.5984 174.2811 149 M 4.7991 7.9803 121.1553 54.5987 35.7752 173.3185 150 V 5.4710 8.4594 122.3836 60.1350 34.6762 174.3720 151 A 4.7046 8.3528 127.2833 50.4888 22.9698 175.0431 152 N 4.7259 8.9414 118.6834 53.4336 39.0721 175.7330 153 I 3.4956 8.3661 125.3658 64.2725 38.1576 177.3799 154 E 3.9297 8.3120 118.0441 59.1110 28.8537 176.9998 155 E 4.0313 8.4684 121.3095 56.5949 30.1491 177.9158 156 V 3.6182 7.7756 120.8241 65.9973 32.6938 176.3014 157 L 4.1311 7.5425 122.5760 55.0043 41.3270 176.6895 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 M 8.30 4.28 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 V 7.10 3.79 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 0.70 0.00 0.00 0.82 0.00 0.00 3 L 9.00 4.32 0.00 1.69 1.49 0.86 0.41 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 4 L 7.10 5.20 0.00 1.78 1.61 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.94 5.34 4.39 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 1.31 0.00 0.00 6 M 9.25 5.37 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.73 0.00 7 I 9.05 4.65 1.40 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.56 -0.34 0.00 0.00 8 A 8.00 4.54 -0.18 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 9 R 8.35 4.03 0.00 1.79 1.83 0.00 3.10 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 10 V 8.79 3.23 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 0.72 0.00 0.00 0.90 0.00 0.00 11 A 8.33 3.86 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 12 D 7.90 4.53 0.00 2.74 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 13 G 8.33 3.66 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 0.00 0.00 0.00 14 L 7.80 3.90 0.00 1.89 1.45 0.81 0.96 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 15 P 0.00 4.03 0.00 0.86 1.10 0.00 3.35 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 16 L 8.84 4.54 0.00 1.35 1.73 0.73 0.75 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 17 A 7.57 5.10 1.53 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 0.00 0.00 18 A 8.42 5.50 1.44 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 0.00 0.00 19 S 8.47 4.53 0.00 3.93 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 20 M 8.65 4.93 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 21 Q 8.45 4.48 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 22 E 8.94 4.33 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 2.23 2.30 0.00 23 D 7.64 4.57 0.00 2.65 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 *29 D 7.52 4.48 0.00 2.98 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 30 L 8.65 4.00 0.00 1.74 1.73 0.95 0.67 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 31 Q 8.05 3.88 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 32 Q 8.14 3.92 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 1.78 2.19 0.00 33 Y 7.97 4.25 0.00 3.18 3.16 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 0.00 34 Q 8.49 4.09 0.00 2.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 35 S 8.12 4.09 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 36 Q 8.15 3.82 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 37 A 7.96 3.54 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 38 K 8.03 4.11 0.00 1.96 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.82 7.81 39 Q 8.10 3.90 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 40 L 7.86 3.74 0.00 1.37 1.39 0.87 0.74 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 41 F 7.26 4.40 0.00 3.17 2.91 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 42 R 7.59 4.04 0.00 1.86 2.19 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 K 7.72 4.09 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.72 1.59 7.81 44 L 7.72 4.00 0.00 1.72 1.57 0.58 0.82 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 45 N 9.31 4.92 0.00 2.83 2.89 0.00 0.00 6.42 8.21 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 46 E 8.83 4.25 0.00 2.10 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 0.00 2.28 2.27 0.00 47 Q 8.82 4.53 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 48 S 7.66 4.42 0.00 4.02 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 49 P 0.00 4.44 0.00 2.26 2.02 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 50 T 8.66 4.30 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 1.27 0.00 0.00 51 R 7.78 4.97 0.00 1.84 1.74 0.00 3.01 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 52 C 7.94 4.88 0.00 2.69 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 0.00 0.00 0.00 0.00 53 T 9.24 5.14 4.48 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 1.27 0.00 0.00 54 L 9.01 5.85 0.00 1.70 1.67 0.89 0.84 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 55 E 8.82 4.97 0.00 1.94 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 2.33 2.32 0.00 56 A 8.37 5.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 58 A 8.74 4.18 1.31 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 0.00 0.00 0.00 59 M 7.55 5.02 0.00 1.60 2.23 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.51 0.00 60 T 8.08 4.95 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 1.20 0.00 0.00 61 F 9.24 4.88 0.00 3.06 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 62 H 9.50 5.39 0.00 2.80 2.35 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.00 6.22 0.00 3.30 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 64 I 8.72 5.29 2.07 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 1.58 1.28 1.25 0.00 0.00 65 I 8.65 5.35 2.00 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 1.21 0.83 0.94 0.00 0.00 66 E 9.48 4.54 0.00 1.79 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 0.00 2.23 2.17 0.00 67 Q 9.66 3.26 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 68 G 8.16 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 0.00 0.00 0.00 69 V 7.59 4.53 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 0.11 0.00 0.00 0.89 0.00 0.00 70 C 8.79 4.93 0.00 2.82 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 71 Y 9.19 4.68 0.00 3.04 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 72 L 9.19 5.59 0.00 1.90 1.88 1.34 0.27 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 73 V 9.05 5.16 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 0.94 0.00 0.00 0.99 0.00 0.00 74 L 8.79 4.75 0.00 1.13 1.27 -0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 75 C 7.00 4.85 0.00 2.92 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 76 E 8.04 4.28 0.00 2.11 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 2.26 0.00 77 A 8.80 4.09 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 78 A 8.22 4.08 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 79 F 8.60 4.12 0.00 3.03 3.02 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 80 P 0.00 4.06 0.00 1.61 1.76 0.00 2.20 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 81 K 8.71 3.90 0.00 2.14 2.26 0.00 1.61 0.00 0.00 2.04 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 82 K 7.95 4.15 0.00 2.02 2.13 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 83 L 7.68 4.15 0.00 1.44 1.94 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.05 4.11 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 85 F 7.87 4.08 0.00 3.25 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 86 A 7.82 4.07 1.67 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 0.00 0.00 87 Y 7.69 3.31 0.00 2.10 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 88 L 7.59 3.71 0.00 1.93 1.69 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.82 3.89 0.00 2.23 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 2.52 2.56 0.00 90 D 8.12 4.52 0.00 3.02 2.95 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 91 L 7.62 4.49 0.00 1.79 1.96 0.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.24 3.42 0.00 2.22 3.10 0.00 5.65 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 93 S 7.99 4.03 0.00 3.99 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 94 E 7.85 3.74 0.00 1.93 2.28 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 1.47 2.08 0.00 95 F 8.76 3.65 0.00 2.89 3.18 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 96 D 8.98 4.47 0.00 2.95 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 97 E 8.19 3.85 0.00 2.00 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 0.00 2.24 2.29 0.00 98 Q 7.73 4.00 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 99 H 8.40 4.68 0.00 1.40 2.42 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.60 3.99 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 0.00 0.00 0.00 101 K 7.84 4.16 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.34 7.81 102 K 8.09 4.30 0.00 1.86 1.95 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.39 7.81 103 V 8.19 3.80 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 1.01 0.00 0.00 1.02 0.00 0.00 104 P 0.00 4.58 0.00 2.22 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 105 T 7.93 4.39 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 0.00 106 V 7.06 3.89 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 0.59 0.00 0.00 1.00 0.00 0.00 107 S 8.02 4.58 0.00 3.89 3.87 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 0.00 108 R 7.62 4.29 0.00 1.76 1.87 0.00 3.14 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 109 P 0.00 4.24 0.00 2.16 1.98 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 110 Y 8.21 3.95 0.00 3.27 3.04 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 0.00 0.00 0.00 111 S 8.12 4.16 0.00 3.40 3.35 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 0.00 112 F 8.26 5.11 0.00 3.50 3.11 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 0.00 113 I 8.23 3.90 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 1.01 0.00 0.00 114 E 8.28 4.25 0.00 2.12 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 2.39 2.45 0.00 115 F 8.63 4.69 0.00 3.43 3.42 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 0.00 116 D 8.49 4.41 0.00 3.21 2.71 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 0.00 0.00 0.00 0.00 117 T 7.98 3.81 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 1.24 0.00 0.00 118 F 8.01 4.01 0.00 2.91 2.32 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 0.00 119 I 6.98 3.55 2.04 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.41 1.01 0.00 0.00 120 Q 7.87 4.08 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 121 K 7.89 4.02 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.26 7.81 122 T 7.69 4.12 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 1.32 0.00 0.00 123 K 8.35 3.78 0.00 1.96 1.97 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.20 7.81 124 K 7.90 4.06 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.57 7.81 125 L 7.49 4.30 0.00 1.75 1.56 0.92 1.16 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 0.00 126 Y 7.81 4.58 0.00 2.81 3.01 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 0.00 127 I 6.93 4.44 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.46 0.86 0.00 0.00 128 D 7.60 4.36 0.00 2.59 2.47 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 0.00 129 S 8.47 4.17 0.00 4.03 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 0.00 130 R 7.36 4.56 0.00 1.93 1.98 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 131 A 8.12 4.46 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 0.00 132 R 7.25 3.09 0.00 2.02 1.92 0.00 3.07 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 *148 I 7.75 4.05 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.13 0.82 0.00 0.00 149 M 7.98 4.80 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 150 V 8.46 5.47 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 1.01 0.00 0.00 0.97 0.00 0.00 151 A 8.35 4.70 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 0.00 152 N 8.94 4.73 0.00 2.82 2.81 0.00 0.00 6.64 7.32 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 0.00 153 I 8.37 3.50 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.16 1.01 0.00 0.00 154 E 8.31 3.93 0.00 2.00 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 2.35 2.28 0.00 155 E 8.47 4.03 0.00 1.83 1.96 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 2.32 2.24 0.00 156 V 7.78 3.62 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 0.86 0.00 0.00 0.95 0.00 0.00 157 L 7.54 4.13 0.00 1.64 1.51 0.81 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 * Residues marked with a * may have inaccurate shift predictions.