NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7571 8.2833 118.1258 53.2167 41.1096 176.3666 3 D 4.1853 7.9895 118.3260 56.4956 40.7153 176.9842 4 K 4.0558 8.7455 120.0559 59.1828 32.7469 179.0361 5 K 4.0049 7.9536 118.3209 59.5208 32.0114 179.3645 6 I 3.7858 8.1300 120.5259 64.2032 37.0443 178.1269 7 E 3.9546 8.0844 119.8750 58.9907 29.3846 178.6817 8 L 3.9496 7.9744 120.3706 58.3275 42.2098 178.8130 9 L 3.8952 7.9921 118.8888 58.2073 41.2823 179.8926 10 T 3.9355 7.7532 114.7515 66.8960 68.8105 176.8215 11 T 4.0823 7.9331 117.5120 66.7549 68.4864 175.9204 12 Y 4.1619 8.8743 122.2432 61.1912 38.7990 178.5238 13 L 4.1638 8.5067 119.8491 57.6451 41.5080 179.2439 14 S 4.4383 7.8681 112.4762 60.2540 63.2125 175.7067 15 L 4.2052 8.2650 123.1157 55.8263 41.4010 175.7595 16 Y 5.1546 7.3150 115.7196 56.3237 40.7279 175.0649 17 I 4.4620 8.5696 120.3526 58.9135 41.8096 174.0504 18 D 4.8596 8.6858 128.8801 54.6538 41.9755 176.8256 19 H 4.5552 8.9058 120.7068 58.6077 28.3921 177.1548 20 H 4.3226 8.9462 121.6325 58.9457 29.3892 176.8155 21 T 4.1778 7.4691 116.3186 65.5440 68.8758 176.8848 22 V 3.9156 7.7098 120.0299 65.5862 31.4971 177.6278 23 L 4.0959 8.0002 118.8969 58.3073 42.3480 178.6566 24 A 4.1381 7.6390 118.9310 54.4538 18.1833 177.7044 25 D 4.5897 7.8794 116.6542 54.7957 41.0529 177.4298 *27 Q 4.2682 7.9356 117.3859 55.6563 30.2878 175.5405 28 N 4.5083 7.8134 112.1331 52.2607 39.4439 174.9333 29 A 3.7783 7.5872 119.0041 53.5241 15.5304 176.6500 30 T 4.3330 8.2547 107.5670 59.6994 69.9841 175.7899 31 G 4.0150 7.8767 109.4104 46.5808 0.0000 174.7030 32 K 3.8943 8.1434 121.7091 57.6358 32.7115 175.7017 33 Y 5.3610 7.6092 113.9096 55.9658 41.4326 175.8358 34 V 4.2998 8.3794 121.7657 61.0711 34.4465 174.5977 35 V 4.4998 8.4662 128.9097 62.4626 33.0847 174.3176 36 L 4.9187 8.9625 128.6283 53.1781 44.0447 175.4857 37 D 3.3700 8.1148 124.2629 52.4777 40.9263 176.0593 38 V 4.1562 7.5349 118.0500 61.1376 32.3374 176.0871 39 R 4.4213 7.6850 120.8807 56.4786 30.3655 177.7010 40 N 4.4443 8.8055 119.1648 55.0890 39.3036 175.9343 41 A 4.1962 8.1002 120.2949 51.2659 19.1003 175.7958 42 P 4.4674 0.0000 0.0000 62.7369 33.2670 177.4041 43 A 3.9937 8.5839 120.2523 55.3164 17.9388 179.7737 44 Q 3.9254 8.0109 116.7640 59.7410 29.3271 178.7326 45 V 3.9126 7.7963 111.3218 64.1849 31.6979 178.3994 46 K 3.8883 7.9203 118.0684 58.2614 32.0812 178.6996 47 K 4.0892 8.4890 122.9524 57.8347 33.1801 174.3134 48 D 5.1606 7.4298 115.2143 51.7756 43.3476 173.2296 49 Q 4.5243 8.7485 115.6616 55.3639 32.5846 173.0919 50 I 3.9784 8.1937 120.3504 60.3568 38.0737 175.0265 51 K 3.7729 8.2053 129.3425 60.1226 31.6229 176.3241 52 G 3.9797 8.5755 113.9562 44.6622 0.0000 172.6100 53 A 4.3815 8.3370 121.9371 52.1028 19.0423 177.8889 54 I 4.2660 8.8844 121.8892 59.2440 38.1463 175.3876 55 A 3.8480 8.4533 128.7109 51.6697 19.2228 174.8783 *57 P 4.2848 0.0000 0.0000 62.1180 32.6039 178.1224 58 A 4.0224 8.2347 123.0372 54.7436 18.2858 180.2106 59 K 4.0769 8.0118 116.1564 59.1354 33.0996 177.8763 60 D 4.7796 7.8293 118.0835 54.2859 42.3235 177.4650 61 L 3.7550 7.6521 120.1269 58.0133 41.8772 178.5148 62 A 4.0749 7.8813 119.8557 54.7440 18.6596 178.8091 63 T 4.2271 8.0468 107.9883 64.2790 69.0760 177.3375 64 R 4.0305 7.5036 117.1509 56.3410 29.6021 177.3212 65 I 3.8883 7.4746 118.0911 61.4672 37.9895 176.7057 66 G 3.8502 7.9028 107.5104 47.4351 0.0000 174.0920 67 E 4.6686 7.6212 116.9232 55.9172 29.9807 175.6531 68 L 4.8124 7.7015 117.6509 53.5935 44.9654 175.4185 69 D 4.8394 9.5531 121.5833 52.8638 41.6952 175.9528 70 P 4.0960 0.0000 0.0000 64.7492 31.6545 177.2054 71 A 4.3410 7.9112 120.0006 53.6000 19.3971 178.1361 72 K 4.1503 7.4732 113.4798 56.7212 32.9447 176.2490 73 T 4.8118 7.7548 117.5176 62.5815 70.5006 173.5175 74 Y 5.2111 8.8828 123.5601 56.2919 41.1848 175.1070 75 V 4.8185 8.6589 122.1191 61.4663 34.3964 174.9602 76 V 4.8156 8.6110 122.0763 60.8280 33.6277 174.8315 77 Y 5.1088 8.0473 119.7654 56.4745 42.1802 172.8820 78 D 4.6202 8.5046 117.7137 53.1783 45.0563 174.8508 79 W 4.3420 9.4118 117.5306 59.6461 29.5763 176.6595 80 T 5.0355 8.2480 108.2812 59.7770 71.3390 174.3929 81 G 4.2803 8.9508 110.0615 46.3878 0.0000 174.0690 82 G 4.2511 8.1600 107.8589 44.8319 0.0000 174.1818 83 T 4.7494 7.6596 108.0591 59.2349 72.0706 173.6563 84 T 4.4298 8.3565 110.6819 61.9700 68.9117 176.5426 85 L 4.0324 7.8380 123.4105 58.2463 41.7639 179.2868 86 G 3.5763 8.0385 105.0256 47.9317 0.0000 175.6814 87 K 3.9348 7.9455 120.7441 59.2635 32.0785 179.5495 88 T 3.8552 8.2150 116.1294 66.5110 68.2925 176.7353 89 A 3.9298 8.1528 122.8899 54.9854 18.2682 179.4753 90 L 3.7952 7.9560 119.0171 57.9139 41.8833 178.9884 91 L 3.8868 7.7611 120.5745 57.9403 41.9107 179.0693 92 V 3.5958 7.6534 118.1338 66.0630 31.2624 177.9291 93 L 3.9494 7.8068 117.3323 57.9095 41.6819 179.3338 94 L 4.3681 7.8824 119.2629 56.9523 41.6281 179.6133 95 S 4.3513 7.8524 115.1641 61.1367 62.7881 175.6599 96 A 4.3587 7.5974 119.6431 52.8695 18.1003 177.8120 97 G 3.8450 7.9335 107.5201 45.4366 0.0000 174.4422 98 F 4.1912 7.9033 117.8076 57.8290 39.6946 173.1741 99 E 4.9774 8.9082 121.5279 54.5834 31.9509 174.3671 100 A 5.1689 8.1422 126.9165 51.0634 23.0942 173.7434 101 Y 4.8932 8.8312 115.4607 56.7536 43.3410 173.8795 102 E 4.8233 8.6848 121.9125 54.4443 31.9265 174.8291 103 L 4.4969 9.2825 128.9320 54.6566 43.0078 176.0461 104 A 4.3266 8.6441 131.0191 54.4815 18.6476 177.4625 105 G 3.9601 9.2017 111.6346 44.2427 0.0000 174.0168 106 A 3.5773 8.3435 122.2947 52.6994 18.5618 176.9237 107 L 3.7812 8.7052 113.7037 58.0697 41.9943 180.0504 108 E 4.0831 8.3709 119.8404 59.3735 29.4625 179.1569 109 G 3.6920 8.6077 104.5488 47.3145 0.0000 175.1961 110 W 4.0904 8.0282 130.3868 60.0099 30.7570 178.3233 111 K 4.2373 8.3251 118.7461 58.7494 31.6100 180.3690 112 G 3.7728 7.8673 107.0450 44.1333 0.0000 173.5414 *114 Q 4.2721 7.9339 115.0903 55.2511 30.3550 175.9580 115 L 4.1264 7.2518 116.9910 53.1355 42.8465 175.5187 116 P 4.3486 0.0000 0.0000 63.8638 32.1134 175.3703 117 V 4.6937 8.4234 117.7410 59.2913 34.4942 174.7974 118 E 4.4007 8.9460 127.2566 55.4459 31.1992 174.8490 119 T 4.4473 8.3973 121.8726 61.2859 68.3644 174.0933 120 L 4.1622 8.0395 130.1139 56.0529 43.4970 173.2433 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 4.76 0.00 2.85 2.94 0.00 0.00 7.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 7.99 4.19 0.00 2.80 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 4 K 8.75 4.06 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 K 7.95 4.00 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 I 8.13 3.79 1.95 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 1.42 0.77 0.93 0.00 0.00 7 E 8.08 3.95 0.00 2.27 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 2.33 2.39 0.00 8 L 7.97 3.95 0.00 1.83 1.79 0.97 0.63 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 9 L 7.99 3.90 0.00 1.84 1.76 0.94 0.52 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 10 T 7.75 3.94 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 1.26 0.00 0.00 11 T 7.93 4.08 4.34 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 1.28 0.00 0.00 12 Y 8.87 4.16 0.00 3.20 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 13 L 8.51 4.16 0.00 1.89 1.79 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.87 4.44 0.00 4.16 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 15 L 8.27 4.21 0.00 1.58 1.36 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.32 5.15 0.00 2.82 2.89 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 17 I 8.57 4.46 1.49 0.00 0.00 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 0.86 1.10 0.84 0.00 0.00 18 D 8.69 4.86 0.00 2.73 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 19 H 8.91 4.56 0.00 3.73 3.76 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.95 4.32 0.00 3.10 3.41 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.47 4.18 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 1.34 0.00 0.00 22 V 7.71 3.92 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 1.12 0.00 0.00 0.77 0.00 0.00 23 L 8.00 4.10 0.00 1.91 1.67 0.70 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.64 4.14 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 25 D 7.88 4.59 0.00 3.19 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 *27 Q 7.94 4.27 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 28 N 7.81 4.51 0.00 3.02 2.88 0.00 0.00 7.25 7.23 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 29 A 7.59 3.78 1.28 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 30 T 8.25 4.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 G 7.88 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 32 K 8.14 3.89 0.00 1.58 1.75 0.00 1.12 0.00 0.00 1.39 0.00 0.00 2.95 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.68 0.21 7.81 33 Y 7.61 5.36 0.00 2.92 2.74 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 34 V 8.38 4.30 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 1.10 0.00 0.00 0.57 0.00 0.00 35 V 8.47 4.50 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 0.79 0.00 0.00 0.87 0.00 0.00 36 L 8.96 4.92 0.00 1.50 1.42 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.11 3.37 0.00 2.46 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 0.00 0.00 0.00 38 V 7.53 4.16 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 0.62 0.00 0.00 0.87 0.00 0.00 39 R 7.69 4.42 0.00 1.72 1.89 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.39 0.00 40 N 8.81 4.44 0.00 2.75 2.89 0.00 0.00 6.99 7.35 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 41 A 8.10 4.20 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 42 P 0.00 4.47 0.00 2.31 2.23 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 43 A 8.58 3.99 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 44 Q 8.01 3.93 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 45 V 7.80 3.91 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 0.89 0.00 0.00 1.26 0.00 0.00 46 K 7.92 3.89 0.00 1.82 1.71 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.68 7.81 47 K 8.49 4.09 0.00 2.13 2.18 0.00 1.31 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.38 7.81 48 D 7.43 5.16 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.75 4.52 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 50 I 8.19 3.98 1.39 0.00 0.00 -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 -0.19 -0.19 0.11 0.00 0.00 51 K 8.21 3.77 0.00 1.86 1.91 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.63 7.81 52 G 8.58 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 53 A 8.34 4.38 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 54 I 8.88 4.27 1.87 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 1.17 1.17 0.88 0.00 0.00 55 A 8.45 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 P 0.00 4.28 0.00 2.17 1.99 0.00 3.81 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 1.97 2.15 0.00 58 A 8.23 4.02 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 K 8.01 4.08 0.00 1.90 2.06 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.50 7.81 60 D 7.83 4.78 0.00 2.62 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 61 L 7.65 3.76 0.00 1.68 1.62 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.88 4.07 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 63 T 8.05 4.23 4.21 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 1.19 0.00 0.00 64 R 7.50 4.03 0.00 1.79 1.90 0.00 3.07 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 65 I 7.47 3.89 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.26 0.97 0.00 0.00 66 G 7.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.62 4.67 0.00 2.08 2.01 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 2.25 2.21 0.00 68 L 7.70 4.81 0.00 1.31 1.25 -0.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.55 4.84 0.00 2.77 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 70 P 0.00 4.10 0.00 2.00 1.78 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 71 A 7.91 4.34 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 72 K 7.47 4.15 0.00 1.71 1.34 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 73 T 7.75 4.81 4.64 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 1.67 0.00 0.00 74 Y 8.88 5.21 0.00 2.88 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 75 V 8.66 4.82 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 1.06 0.00 0.00 0.81 0.00 0.00 76 V 8.61 4.82 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 0.63 0.00 0.00 0.91 0.00 0.00 77 Y 8.05 5.11 0.00 2.99 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 78 D 8.50 4.62 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 9.41 4.34 0.00 3.37 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 80 T 8.25 5.04 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 1.46 0.00 0.00 81 G 8.95 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 82 G 8.16 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 0.00 0.00 0.00 0.00 83 T 7.66 4.75 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 1.26 0.00 0.00 84 T 8.36 4.43 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 1.25 0.00 0.00 85 L 7.84 4.03 0.00 1.73 1.74 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.04 3.58 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 0.00 0.00 0.00 87 K 7.95 3.93 0.00 1.81 1.85 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.53 7.81 88 T 8.22 3.86 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 1.18 0.00 0.00 89 A 8.15 3.93 1.28 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 90 L 7.96 3.80 0.00 1.88 1.58 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.76 3.89 0.00 1.79 1.81 0.91 0.89 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 92 V 7.65 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 93 L 7.81 3.95 0.00 1.58 1.67 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.88 4.37 0.00 1.65 1.72 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.85 4.35 0.00 4.08 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 96 A 7.60 4.36 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.90 4.19 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 99 E 8.91 4.98 0.00 2.02 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 2.14 2.16 0.00 100 A 8.14 5.17 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.83 4.89 0.00 2.79 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 0.00 102 E 8.68 4.82 0.00 1.58 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 2.26 2.16 0.00 103 L 9.28 4.50 0.00 1.81 1.74 1.05 0.87 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 0.00 104 A 8.64 4.33 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 0.00 105 G 9.20 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 0.00 106 A 8.34 3.58 1.58 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 0.00 0.00 107 L 8.71 3.78 0.00 1.64 1.76 0.65 0.84 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 0.00 108 E 8.37 4.08 0.00 2.41 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 2.37 2.41 0.00 109 G 8.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.03 4.09 0.00 3.46 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.33 4.24 0.00 2.09 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.74 7.81 112 G 7.87 3.77 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 0.00 0.00 0.00 *114 Q 7.93 4.27 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 115 L 7.25 4.13 0.00 0.65 0.22 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.35 0.00 2.23 2.28 0.00 3.35 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.09 0.00 117 V 8.42 4.69 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 0.94 0.00 0.00 1.04 0.00 0.00 118 E 8.95 4.40 0.00 2.09 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 0.00 2.27 2.26 0.00 119 T 8.40 4.45 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 1.22 0.00 0.00 120 L 8.04 4.16 0.00 1.54 1.45 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.