NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2498 8.2501 119.7066 56.2645 30.3822 174.6322 5 A 4.0747 8.0279 123.7072 51.1802 20.1577 174.7424 6 T 4.4984 9.4438 117.9346 62.3264 70.9141 172.0167 7 Y 5.1691 8.6881 123.5726 56.4823 40.7621 175.3944 8 T 4.6599 9.0364 119.9375 61.6731 72.0404 173.3841 9 V 4.0578 8.5890 127.6832 63.0413 31.6475 175.7485 10 I 4.2587 9.0278 130.4833 63.7921 37.4979 176.2785 11 F 4.5692 7.5643 115.0941 56.1455 40.7874 172.7420 12 K 4.3933 9.0786 118.1651 55.4104 32.2850 175.5288 13 N 5.4127 8.1904 120.5373 51.7694 41.2537 174.4837 14 A 4.7201 8.7640 124.2777 50.5493 21.5788 176.2739 15 S 4.4804 7.9982 114.5493 57.0994 63.9644 173.8632 16 G 3.2431 6.2381 107.5257 45.3607 0.0000 173.2237 17 L 4.0894 8.3430 118.9414 53.9388 42.3832 175.6989 18 P 4.3803 0.0000 0.0000 62.1334 31.9986 175.5979 19 N 4.5508 8.6860 119.8340 55.2569 39.4289 175.4582 20 G 3.9322 9.0704 112.1339 45.8222 0.0000 171.9754 21 Y 5.0455 7.9928 116.6634 56.1422 40.8864 174.4028 22 D 5.1432 9.1895 121.8964 52.4919 45.3869 173.4960 23 N 5.5388 8.9299 118.0756 51.4130 40.8014 173.8563 24 W 4.9062 9.3938 126.3226 56.8584 30.2611 177.2168 25 G 4.1585 8.8445 112.2875 45.3803 0.0000 173.4417 26 W 4.9387 8.2037 114.9631 56.6274 31.1862 174.7425 27 G 4.1559 9.2095 106.3782 46.5503 0.0000 172.5760 28 C 5.2278 7.6673 114.8290 58.2358 32.8643 173.3219 29 T 4.7297 8.4146 114.9568 61.9112 72.5745 173.2071 30 L 5.0758 8.4488 123.8216 53.0032 44.6833 175.6862 31 S 4.6668 8.3664 116.3900 57.0421 67.3544 172.1262 32 Y 5.4299 8.1718 116.0225 55.7991 41.6014 174.5255 33 Y 4.6950 9.0918 121.8606 57.8563 41.6795 174.2909 34 G 3.7107 8.7715 112.7416 46.2703 0.0000 174.6304 35 G 3.9131 8.2439 106.2496 44.8649 0.0000 173.1487 36 A 5.0653 8.3126 122.5537 51.0192 21.0162 176.4623 37 M 4.3555 9.0891 121.9895 55.0998 33.7037 174.9896 38 I 4.3319 8.1219 127.9157 59.5048 39.6968 174.6748 39 I 4.1955 8.1724 129.3904 60.2916 38.8338 175.2130 40 N 4.8598 8.9601 126.1049 50.5240 38.4534 171.8616 41 P 4.6045 0.0000 0.0000 62.4108 33.2960 175.2009 42 Q 4.4685 9.1816 122.7954 54.7092 30.4681 175.5612 43 E 4.1474 8.5738 122.8103 57.9173 29.9521 177.6985 44 G 3.8905 9.0473 112.6466 45.3249 0.0000 174.1875 45 K 4.4046 7.5379 116.7085 56.2070 32.9931 175.9052 46 Y 3.7993 7.5517 115.8271 58.6118 35.6826 171.4430 47 G 3.3730 7.7420 104.9891 46.3329 0.0000 173.2113 48 A 4.8501 7.0602 122.4897 49.6779 23.0069 175.1201 49 V 4.4383 8.2773 121.3155 61.6752 33.6009 174.8030 50 S 5.0392 8.9548 121.8906 56.2555 64.8261 172.1873 51 L 4.7916 9.5853 128.8189 54.4861 42.7969 176.0398 52 K 4.7712 9.1363 126.6458 54.1944 34.9123 175.0226 53 R 3.0621 8.8453 129.5149 56.0232 30.1710 176.8701 54 N 4.0887 8.7020 125.7738 55.5234 39.2178 175.9368 55 S 4.2743 6.9087 110.5451 57.0565 65.2911 174.8288 56 G 3.7320 9.4123 116.6519 45.2054 0.0000 171.6348 57 S 4.0959 7.6257 111.4861 57.4441 65.8419 173.7154 58 F 4.7211 7.8741 118.8489 55.9852 41.3920 175.3324 59 R 4.6899 8.1041 118.7047 55.3524 32.9034 177.0824 60 G 3.7440 10.3316 112.6452 47.8661 0.0000 172.4105 61 G 4.2307 9.3619 108.5782 46.4161 0.0000 172.2136 62 S 5.1498 8.9112 116.4797 57.0541 67.0340 173.5159 63 L 5.2591 9.1032 121.7378 53.0808 44.5947 175.4463 64 R 5.4275 9.2303 123.4442 53.6008 33.3865 173.9920 65 F 5.5342 7.7184 117.6816 57.3299 41.1508 171.9103 66 D 5.5113 9.0575 120.5512 53.2882 42.8406 175.4753 67 M 6.3000 9.7578 122.2612 53.1009 36.3419 173.7460 68 K 5.1189 8.3397 123.1799 55.3698 36.8100 174.3637 69 N 5.3761 8.4304 115.4278 52.4158 40.1838 175.3878 70 E 4.1518 9.6345 122.6551 58.7064 30.3975 176.2733 71 G 4.5079 7.6991 104.1299 42.7331 0.0000 172.2077 72 K 4.3327 8.6964 118.4092 57.0540 33.1453 176.4152 73 V 4.5681 8.7201 124.7895 60.9708 34.0896 174.0370 74 K 4.7843 9.0333 129.9236 55.3245 34.1562 174.9398 75 I 4.6671 8.5689 128.1169 59.5450 39.5622 174.7393 76 L 5.1278 8.6193 126.0099 52.9901 46.4009 175.7970 77 V 4.8453 8.0528 113.0577 59.8007 35.2331 174.8548 78 E 5.2572 9.1548 121.2464 54.7998 34.5312 174.1586 79 N 5.1884 9.4716 121.9823 52.2518 40.6297 175.4010 80 S 4.2905 9.5932 123.8690 61.9937 63.3304 175.9474 81 E 4.0981 8.4882 117.6650 59.4907 29.1499 178.1991 82 A 4.1627 8.5436 118.4813 52.0171 19.5831 176.2751 83 D 4.4649 7.8738 114.7401 54.3686 39.8857 172.6060 84 E 4.9822 7.6557 120.1392 54.8252 33.8015 174.5318 85 K 5.0905 8.7249 124.6689 55.2596 36.2931 175.0888 86 F 4.4478 8.2992 122.4979 56.5427 42.8461 172.7726 87 E 3.9190 7.9874 127.8312 56.1548 29.2912 176.3341 88 V 3.8568 8.7875 128.8164 65.6060 32.1469 175.5430 89 E 4.7234 7.5274 117.8680 55.7525 33.0094 173.8760 90 T 4.9660 8.4893 119.9786 61.7970 71.2118 173.4636 91 I 4.4028 8.5414 127.5398 59.4643 39.4703 175.8453 92 S 4.6710 8.6380 122.4110 57.4854 63.7335 172.3210 93 P 4.5817 0.0000 0.0000 63.5456 32.2528 176.1409 94 S 4.5215 8.9114 116.5360 57.3504 65.5375 174.5107 95 D 4.5179 8.6807 126.1513 54.0480 39.9680 175.5521 96 E 4.6835 7.2913 119.0056 54.1920 32.8860 175.4931 97 Y 4.3741 8.4904 119.3627 58.5747 38.6673 176.0010 98 V 4.3389 8.8625 123.2553 61.2307 35.2144 174.2691 99 T 4.6830 8.1189 123.5156 62.9397 69.3609 173.6256 100 Y 4.4622 8.3717 124.7397 56.1160 40.9275 175.2338 101 I 4.6444 8.0823 122.3822 59.6731 40.4859 174.5401 102 L 4.8468 8.8486 127.7568 52.5156 44.8067 176.1980 103 D 4.8843 8.8644 123.3070 54.5036 41.7674 175.9307 104 V 4.2829 8.6756 123.6022 61.6882 32.3143 175.1044 105 D 4.7171 8.8725 127.1351 53.6945 41.5225 176.7744 106 F 3.4140 7.3691 121.8778 58.7039 39.4136 174.4368 107 D 4.5397 8.3313 125.3026 53.4158 40.0382 175.9039 108 L 4.4788 5.8930 119.0594 51.8726 44.3441 174.1606 109 P 4.7375 0.0000 0.0000 62.8798 32.3773 175.7397 110 F 5.3668 8.5593 116.0595 55.4068 41.2075 174.7451 111 D 4.8702 9.1288 119.9147 53.3210 40.8380 175.7362 112 R 6.0300 8.0720 117.7460 53.7314 34.9537 174.0612 113 I 5.0338 8.5619 121.3676 59.5787 40.8539 174.2048 114 A 5.2116 8.8594 128.4785 49.9888 22.9015 174.6989 115 F 4.9475 9.1202 118.7753 55.7483 42.3689 173.8848 116 Q 4.8014 9.0311 125.8528 54.1300 32.0618 174.6526 117 D 4.7117 8.9358 126.2913 53.6572 39.6178 175.9902 118 A 4.2086 8.5608 126.3067 54.3071 18.5799 177.2219 119 P 4.3379 0.0000 0.0000 63.4913 31.9892 177.4765 120 G 3.0758 8.1236 106.2544 45.9820 0.0000 174.3121 121 N 4.5150 8.1096 114.1060 52.5389 38.9323 175.8430 122 G 4.0053 8.6056 106.8639 44.7433 0.0000 173.5518 123 D 4.5489 7.8890 119.4944 55.0022 41.7111 176.7514 124 R 4.3438 9.2117 122.2740 56.0501 31.9038 175.5820 125 I 5.1366 7.5952 120.4492 59.5597 41.7751 174.3700 126 W 5.2438 10.0540 126.3044 54.9666 32.3631 174.5841 127 I 5.3935 9.0176 124.7703 59.6815 40.4250 174.7648 128 K 4.9678 8.9720 124.4689 54.4283 36.9216 175.4185 129 N 4.1030 8.1708 115.7709 54.2695 36.5928 174.5867 130 L 4.8239 6.8428 120.3536 54.7752 43.7337 176.1630 131 V 4.9840 9.1509 126.1855 61.7166 35.4134 172.9801 132 H 5.3462 9.2386 127.7048 54.8378 31.8496 173.3528 133 S 4.9103 8.6887 119.8220 56.4181 64.6231 174.8578 134 T 3.9250 8.4267 116.6502 63.9155 69.5967 174.7861 135 G 3.8937 7.8328 112.3836 43.9784 0.0000 173.0385 136 S 4.8312 8.2574 113.5266 57.2478 64.4316 174.6918 137 A 4.1970 9.1349 123.3306 55.7265 17.7884 179.7454 138 D 4.3738 8.1601 114.4034 57.0328 41.4320 176.9963 139 D 4.8606 7.7844 116.3622 52.8757 41.3306 176.2712 140 F 4.0356 7.6425 123.0541 58.3833 39.5599 174.4800 141 V 4.0530 8.4451 129.4517 60.8435 31.2889 174.9116 142 D 4.6617 8.6421 128.2986 53.6015 40.7191 174.2550 143 P 4.1052 0.0000 0.0000 65.1051 31.9061 177.1265 *144 I 4.0679 7.9306 122.3870 60.2686 37.2392 181.4903 145 N 4.6062 8.4167 120.2648 52.5586 37.5541 174.7594 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 R 8.25 4.25 0.00 1.82 1.99 0.00 3.35 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 A 8.03 4.07 0.84 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 0.00 0.00 6 T 9.44 4.50 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 1.26 0.00 0.00 7 Y 8.69 5.17 0.00 2.77 2.81 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 8 T 9.04 4.66 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 9 V 8.59 4.06 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 0.99 0.00 0.00 10 I 9.03 4.26 1.97 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 1.42 0.77 0.42 0.00 0.00 11 F 7.56 4.57 0.00 3.08 3.07 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 12 K 9.08 4.39 0.00 1.77 1.80 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.32 7.81 13 N 8.19 5.41 0.00 2.74 2.77 0.00 0.00 6.58 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 14 A 8.76 4.72 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 15 S 8.00 4.48 0.00 3.84 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 16 G 6.24 3.24 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 0.00 17 L 8.34 4.09 0.00 1.67 1.82 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.38 0.00 2.14 2.21 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 19 N 8.69 4.55 0.00 2.72 2.83 0.00 0.00 7.06 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 20 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 21 Y 7.99 5.05 0.00 3.09 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 22 D 9.19 5.14 0.00 2.68 2.51 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 23 N 8.93 5.54 0.00 2.83 2.79 0.00 0.00 6.74 7.95 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 24 W 9.39 4.91 0.00 3.19 3.24 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 25 G 8.84 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 0.00 0.00 0.00 0.00 26 W 8.20 4.94 0.00 3.57 3.37 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 27 G 9.21 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 0.00 0.00 0.00 0.00 28 C 7.67 5.23 0.00 2.67 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 29 T 8.41 4.73 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 1.11 0.00 0.00 30 L 8.45 5.08 0.00 1.42 1.22 0.95 0.55 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 31 S 8.37 4.67 0.00 3.75 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 32 Y 8.17 5.43 0.00 2.85 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 33 Y 9.09 4.70 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 34 G 8.77 3.71 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 0.00 0.00 0.00 35 G 8.24 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 36 A 8.31 5.07 1.64 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 0.00 0.00 37 M 9.09 4.36 0.00 2.20 1.76 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 38 I 8.12 4.33 1.61 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.13 0.00 0.00 39 I 8.17 4.20 1.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.20 0.74 0.00 0.00 40 N 8.96 4.86 0.00 2.59 2.60 0.00 0.00 6.60 7.94 0.00 0.00 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 P 0.00 4.60 0.00 2.07 1.83 0.00 3.43 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 2.16 1.97 0.00 42 Q 9.18 4.47 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 43 E 8.57 4.15 0.00 1.90 1.83 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 2.29 2.26 0.00 44 G 9.05 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 45 K 7.54 4.40 0.00 1.96 2.12 0.00 2.06 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 46 Y 7.55 3.80 0.00 3.31 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 47 G 7.74 3.37 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 0.00 48 A 7.06 4.85 0.39 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 0.00 0.00 0.00 49 V 8.28 4.44 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 1.02 0.00 0.00 0.83 0.00 0.00 50 S 8.95 5.04 0.00 4.04 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 51 L 9.59 4.79 0.00 1.90 1.81 1.10 1.08 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 52 K 9.14 4.77 0.00 1.38 1.28 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.77 7.81 53 R 8.85 3.06 0.00 1.74 1.58 0.00 2.35 0.00 0.00 2.64 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.00 54 N 8.70 4.09 0.00 2.53 2.76 0.00 0.00 6.76 7.57 0.00 0.00 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 S 6.91 4.27 0.00 3.71 3.54 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 56 G 9.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.10 0.00 3.69 3.61 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 58 F 7.87 4.72 0.00 1.51 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 0.00 0.00 0.00 0.00 59 R 8.10 4.69 0.00 1.64 1.79 0.00 3.31 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 60 G 10.33 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 61 G 9.36 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 62 S 8.91 5.15 0.00 3.97 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 63 L 9.10 5.26 0.00 1.70 1.80 0.83 0.72 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 64 R 9.23 5.43 0.00 0.82 1.72 0.00 3.51 0.00 0.00 3.57 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 65 F 7.72 5.53 0.00 3.10 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 66 D 9.06 5.51 0.00 2.73 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 67 M 9.76 6.30 0.00 2.62 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.73 0.00 68 K 8.34 5.12 0.00 1.64 1.36 0.00 0.83 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.65 7.81 69 N 8.43 5.38 0.00 2.98 3.03 0.00 0.00 7.31 7.07 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 70 E 9.63 4.15 0.00 1.96 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 0.00 2.46 2.59 0.00 71 G 7.70 4.51 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 0.00 72 K 8.70 4.33 0.00 1.75 1.78 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 73 V 8.72 4.57 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 1.12 0.00 0.00 1.00 0.00 0.00 74 K 9.03 4.78 0.00 1.84 1.62 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 75 I 8.57 4.67 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 1.19 0.83 0.67 0.00 0.00 76 L 8.62 5.13 0.00 1.46 1.47 0.92 0.87 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 77 V 8.05 4.85 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 -0.08 0.00 0.00 0.49 0.00 0.00 78 E 9.15 5.26 0.00 2.03 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 2.26 2.29 0.00 79 N 9.47 5.19 0.00 3.17 2.92 0.00 0.00 7.27 7.61 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 80 S 9.59 4.29 0.00 3.95 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 0.00 81 E 8.49 4.10 0.00 2.11 2.05 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 2.35 2.34 0.00 82 A 8.54 4.16 1.39 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 0.00 0.00 0.00 83 D 7.87 4.46 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.66 4.98 0.00 2.19 1.99 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 2.55 2.46 0.00 85 K 8.72 5.09 0.00 1.73 1.79 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.38 7.81 86 F 8.30 4.45 0.00 1.89 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 0.00 0.00 0.00 87 E 7.99 3.92 0.00 1.78 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 2.11 2.16 0.00 88 V 8.79 3.86 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 0.83 0.00 0.00 0.87 0.00 0.00 89 E 7.53 4.72 0.00 2.05 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 2.17 2.26 0.00 90 T 8.49 4.97 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 91 I 8.54 4.40 1.74 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.51 0.65 0.00 0.00 92 S 8.64 4.67 0.00 3.79 3.82 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 0.00 0.00 0.00 93 P 0.00 4.58 0.00 1.95 2.22 0.00 3.71 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 2.05 2.12 0.00 94 S 8.91 4.52 0.00 3.87 3.70 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 95 D 8.68 4.52 0.00 2.68 2.69 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 96 E 7.29 4.68 0.00 1.76 1.84 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 2.17 2.18 0.00 97 Y 8.49 4.37 0.00 2.85 2.87 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 98 V 8.86 4.34 1.84 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 0.29 0.00 0.00 0.88 0.00 0.00 99 T 8.12 4.68 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 1.02 0.00 0.00 100 Y 8.37 4.46 0.00 1.81 2.54 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 0.00 101 I 8.08 4.64 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.25 0.47 0.00 0.00 102 L 8.85 4.85 0.00 1.57 1.55 1.04 0.86 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 0.00 103 D 8.86 4.88 0.00 2.61 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 0.00 104 V 8.68 4.28 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 0.58 0.00 0.00 0.87 0.00 0.00 105 D 8.87 4.72 0.00 2.97 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 0.00 106 F 7.37 3.41 0.00 2.19 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 0.00 107 D 8.33 4.54 0.00 2.73 2.69 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 0.00 108 L 5.89 4.48 0.00 0.37 1.20 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.74 0.00 1.86 1.87 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 110 F 8.56 5.37 0.00 3.41 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 0.00 111 D 9.13 4.87 0.00 2.60 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 0.00 112 R 8.07 6.03 0.00 2.01 1.93 0.00 3.24 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 113 I 8.56 5.03 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.66 0.00 0.00 114 A 8.86 5.21 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 0.00 115 F 9.12 4.95 0.00 2.90 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 0.00 116 Q 9.03 4.80 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 117 D 8.94 4.71 0.00 2.76 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 0.00 118 A 8.56 4.21 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.34 0.00 2.06 2.15 0.00 4.05 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 120 G 8.12 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 0.00 0.00 0.00 121 N 8.11 4.52 0.00 2.67 2.80 0.00 0.00 7.21 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 0.00 122 G 8.61 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 0.00 0.00 0.00 123 D 7.89 4.55 0.00 2.60 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 0.00 124 R 9.21 4.34 0.00 1.38 0.79 0.00 2.61 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 125 I 7.60 5.14 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 0.88 0.00 0.00 126 W 10.05 5.24 0.00 3.01 3.07 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 0.00 127 I 9.02 5.39 1.92 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.82 0.00 0.00 128 K 8.97 4.97 0.00 1.57 1.59 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.52 7.81 129 N 8.17 4.10 0.00 2.82 2.79 0.00 0.00 7.06 7.02 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 0.00 130 L 6.84 4.82 0.00 1.51 0.98 1.17 1.10 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 0.00 131 V 9.15 4.98 2.36 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 1.15 0.00 0.00 1.05 0.00 0.00 132 H 9.24 5.35 0.00 2.69 2.83 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.69 4.91 0.00 3.25 3.70 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 0.00 134 T 8.43 3.92 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 1.30 0.00 0.00 135 G 7.83 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 0.00 136 S 8.26 4.83 0.00 4.04 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 0.00 137 A 9.13 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.16 4.37 0.00 2.69 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 0.00 139 D 7.78 4.86 0.00 2.77 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 0.00 140 F 7.64 4.04 0.00 3.30 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 0.00 141 V 8.45 4.05 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 0.70 0.00 0.00 0.99 0.00 0.00 142 D 8.64 4.66 0.00 2.88 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 0.00 143 P 0.00 4.11 0.00 2.10 1.81 0.00 3.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 *144 I 7.93 4.07 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 1.34 0.57 0.87 0.00 0.00 145 N 8.42 4.61 0.00 2.74 2.61 0.00 0.00 6.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.