NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3941 0.0000 0.0000 62.5476 32.6547 175.8816 5 T 3.9982 8.1517 116.1139 62.3587 69.1716 172.8875 6 L 4.5890 7.9010 125.8711 53.1855 45.6814 176.0695 7 S 4.4123 8.4314 120.4968 57.4086 64.2529 174.1017 8 R 3.8663 8.5836 121.7212 59.5316 30.1903 177.7843 9 A 4.0525 8.0558 120.0427 55.2309 18.8528 179.5164 10 A 4.2617 8.0741 116.5219 52.8272 17.9261 178.9002 *12 E 4.2503 8.3209 121.8152 57.6599 31.5530 177.8293 13 K 3.9332 8.2300 119.3184 59.5017 32.0913 178.8912 14 V 3.6223 7.7649 118.0977 66.0701 31.4987 178.0627 15 I 3.8775 7.8661 118.9868 64.6816 37.0303 178.5662 16 R 3.9988 8.3991 119.1881 59.4611 29.7648 179.2705 17 T 3.9095 8.2735 115.8508 66.6299 68.3470 175.9421 18 Y 4.2610 8.3343 121.5800 61.2519 38.8351 177.9934 19 Y 3.3070 8.3005 117.4947 60.7599 37.7714 178.1795 20 D 4.4590 8.5200 120.2938 57.3038 40.8531 178.9437 21 G 3.6773 8.4377 106.5408 47.9460 0.0000 175.3483 22 C 3.9540 8.0245 119.2640 62.8546 27.8786 176.2062 23 N 4.4562 7.9968 116.2973 55.8737 38.1616 176.5614 24 E 4.2668 8.4469 117.6383 55.5454 30.1688 175.9820 25 A 3.7249 7.7231 121.0800 53.1727 16.7477 177.5570 26 D 4.7516 8.1273 121.1582 53.7176 41.1634 175.6055 27 E 4.1160 8.7465 126.6284 59.2547 30.2519 179.6415 28 A 4.0926 8.2086 121.2877 55.2442 19.0790 179.6125 29 K 4.1463 8.3879 113.1409 57.5745 31.9267 178.3261 *31 I 4.0628 7.8376 120.1277 61.0203 38.7857 177.4140 32 A 4.2339 7.9131 120.5745 54.1162 18.3441 177.5961 33 C 4.3548 7.6077 111.5130 59.7022 28.7255 173.2480 34 F 5.2704 7.6631 117.7659 55.1396 42.1531 175.4468 35 V 3.9196 8.3489 116.3442 60.6110 32.1922 176.0170 36 P 4.2379 0.0000 0.0000 65.3916 31.3261 177.6176 37 E 4.5420 7.9801 113.4023 55.8363 29.9481 175.8089 38 A 4.6834 7.7230 121.7700 52.2664 19.8054 177.3498 39 V 4.5745 8.2196 119.4889 61.1470 35.0702 173.5056 40 H 5.0314 8.7517 127.3362 54.5964 32.0033 172.6356 41 Y 4.8409 8.6965 123.3282 56.5328 40.9349 174.5859 42 F 4.9874 8.3094 118.4614 54.9362 44.3183 172.0581 43 P 4.4951 0.0000 0.0000 62.7934 31.6183 176.5622 44 A 3.8656 8.6527 126.3925 53.2317 18.7703 177.7458 45 G 3.5705 8.4464 109.1306 46.4176 0.0000 173.2294 *47 Y 4.6167 7.4270 112.7360 57.4953 40.0305 176.8900 48 G 3.9769 7.7362 108.7024 44.8325 0.0000 173.7109 49 G 3.7206 7.7637 104.5863 44.2510 0.0000 173.1777 50 A 4.3701 8.4031 123.2423 51.9787 19.4795 177.9259 51 F 4.8797 8.8457 119.7849 56.7156 40.5087 175.2563 52 R 4.4397 9.1976 124.5260 57.5593 31.4249 176.6959 53 G 3.8450 9.0761 112.7176 44.8384 0.0000 173.5877 54 A 3.4090 8.7466 124.2494 54.9263 18.3131 180.3192 55 A 3.8393 7.7685 118.6011 55.2222 18.4505 179.5197 56 Q 3.6194 7.7146 117.5168 59.1269 29.1945 178.0826 57 I 3.0581 7.3527 120.5434 64.2769 37.0805 178.2838 58 A 3.9743 7.7659 121.3327 55.3458 18.1262 179.1292 59 H 4.2002 8.0560 118.1488 58.8151 29.9068 177.7033 60 R 3.4391 7.4078 119.8043 58.9375 29.6931 179.1662 61 W 4.8687 7.5467 118.7156 59.7079 28.9951 178.5674 62 R 3.9903 8.2737 118.8924 59.8894 29.4553 178.6583 63 T 3.8598 8.0856 115.3710 66.5366 68.4095 176.4228 64 A 4.1133 8.2479 122.6568 55.2062 18.4915 179.8125 65 V 3.6370 8.1388 116.7336 66.3874 31.4208 178.1816 66 E 4.0455 8.2321 117.2912 59.0393 29.3168 178.7574 67 T 4.2650 8.1041 108.8780 63.5701 69.9950 176.3022 68 L 4.5440 8.5720 120.5140 53.1423 42.2736 177.6266 69 G 4.0752 7.7997 105.8984 46.0374 0.0000 173.8230 70 S 4.1108 8.0462 114.2406 59.2382 63.3453 173.6112 71 Y 4.6224 8.4427 123.8842 55.6675 42.3489 173.5083 72 W 5.5849 9.2868 126.5904 55.1526 31.8350 175.1233 73 T 4.9233 9.2489 114.5726 60.1819 71.3071 173.7265 74 I 4.2178 8.4456 124.9202 60.8559 37.0755 174.9613 75 D 4.8428 9.4041 128.1694 55.6890 42.1318 177.0744 76 A 4.7366 7.6993 117.9677 50.5661 22.9865 175.2715 77 L 4.9064 8.3901 121.6132 53.6893 45.1877 175.4809 78 V 4.4074 9.0449 127.5698 61.2375 33.7272 174.2372 79 I 4.7768 8.4083 128.3064 59.5193 40.4132 174.6420 80 D 4.7936 9.2407 127.5939 52.4405 41.6918 176.6026 81 A 4.0642 8.5942 129.6142 54.3466 18.9604 178.2704 82 E 4.0676 8.3266 117.0433 58.6999 29.7081 177.4771 83 T 4.3007 8.0338 105.0616 60.3353 70.0972 173.5556 84 A 3.7080 7.9732 124.6713 53.7043 16.7883 176.2868 85 E 5.5039 7.8739 117.3019 55.8527 34.7612 175.4771 86 A 5.2962 9.2226 121.9178 50.7556 23.5927 174.8688 87 A 5.3010 9.4889 119.9794 50.3813 23.0913 175.4026 88 I 4.9925 9.0327 121.3113 59.5290 41.2112 174.0928 89 E 4.9087 9.1701 128.8140 54.7892 31.1159 174.9047 90 W 5.8738 8.6691 123.3304 55.2380 32.7933 173.9123 91 T 5.1613 9.1242 116.1788 62.1293 71.8030 172.7336 92 H 4.8449 9.8929 126.8115 54.5594 31.6845 173.6295 93 F 4.4967 9.0577 127.2018 56.3661 39.8513 176.1425 94 K 4.7496 8.6826 127.2724 54.5967 30.8153 177.6581 95 T 3.9129 8.1293 119.9346 66.7526 68.8831 176.6176 96 N 4.4407 8.7252 118.4328 55.5375 38.6253 176.4000 97 Q 4.4098 8.0016 115.0599 54.8688 29.5235 174.9084 98 D 4.4523 7.7779 117.0374 55.6584 39.1698 173.4158 99 K 4.7897 7.7492 115.4167 54.5497 36.4955 176.1085 100 V 4.6193 8.2417 121.4402 60.9864 34.5661 174.2956 101 L 4.6841 8.8165 129.2326 53.4014 44.9137 175.4214 102 R 4.7416 8.0824 124.4471 54.8879 33.7369 175.6790 103 G 3.3267 6.7468 105.2723 46.2026 0.0000 171.9251 104 A 5.3414 8.2921 120.0567 50.4672 23.1618 175.5304 105 E 5.5150 9.7577 116.9580 55.1846 33.6505 174.1903 106 C 5.1033 9.4051 119.9869 59.0110 30.4354 172.8075 107 V 4.8353 9.1265 122.3720 61.2239 34.5017 173.8077 108 E 5.0353 9.1153 127.2917 54.7921 31.8732 175.1924 109 F 5.0142 8.8986 122.6906 56.1064 41.4733 174.9438 110 D 4.6721 9.1132 122.2795 53.2814 41.5481 177.5713 111 R 3.9244 8.9331 125.7898 59.2615 30.5449 178.0278 112 A 4.1553 8.1891 119.9528 54.7245 18.5066 178.2656 113 S 4.3921 8.2186 108.5091 58.1198 64.0169 175.4809 114 G 3.9135 8.4282 108.1283 45.7467 0.0000 172.7529 115 L 4.8330 7.5956 119.1481 52.3538 45.2251 175.8014 116 I 3.7569 8.1032 122.1723 61.3484 37.6979 177.1233 117 R 4.5287 8.8958 122.4887 56.6100 32.0396 175.2614 118 E 5.1891 7.6684 118.6456 55.2523 33.3690 173.7733 119 I 5.0235 8.5629 125.8868 59.5653 41.5051 174.4692 120 R 4.8518 9.2129 125.3754 54.4527 32.6773 174.4241 121 A 5.3468 8.1640 126.1688 50.3440 21.3744 175.8310 122 F 4.8518 9.6479 118.5584 55.9284 43.5538 173.6289 123 Y 5.5048 8.6415 117.4529 55.5756 41.1158 176.2282 124 A 4.3766 8.5036 126.3630 51.6726 17.3895 177.6776 125 S 4.7773 7.5071 115.5271 54.8164 65.8953 171.8389 126 P 4.4756 0.0000 0.0000 62.2365 31.7879 176.0816 127 Q 3.9569 8.6294 118.3727 56.2974 29.0225 176.8345 128 A 4.1867 8.4772 126.0645 51.8003 19.1558 177.0081 129 E 4.0436 8.6314 122.5194 57.4528 30.1788 177.3165 130 G 3.8782 8.8371 109.6522 45.9864 0.0000 172.9034 131 I 4.3576 7.5064 119.7504 59.0165 38.7298 175.6750 132 A 4.0668 8.7447 129.0925 54.1792 18.5563 177.2056 133 R 4.3585 7.8124 113.9404 54.5557 32.0978 175.3416 134 L 4.5095 8.3779 124.6622 53.2779 41.5860 175.2602 135 E 4.7888 7.9873 120.9696 54.6878 33.4602 174.0654 136 L 4.5073 8.9615 120.6550 54.6277 42.0587 178.0135 137 G 3.7113 9.2239 111.2772 47.1173 0.0000 173.8313 138 D 4.7592 8.9070 121.5871 54.6633 38.6212 173.0719 139 F 4.0731 7.5260 121.4291 56.9497 40.6945 176.9275 140 D 4.4239 6.9056 128.2018 52.7875 38.1833 175.8694 141 Y 3.8577 7.6920 121.8884 60.6970 38.6117 177.8788 142 A 4.1935 8.1457 121.1619 55.2847 18.3839 179.8349 143 G 3.9205 8.1148 103.7942 46.9741 0.0000 175.0432 144 R 4.4183 7.8703 117.7579 55.9744 30.3292 177.3103 145 G 4.0036 7.9211 106.9236 45.7540 0.0000 173.5360 146 Y 4.4528 8.1517 116.8172 57.0430 38.7203 175.9388 147 R 4.1968 8.5321 122.0667 56.4722 30.7990 176.7992 148 V 4.2639 8.3587 119.3602 62.8931 33.4882 175.7048 149 T 4.6598 7.5308 114.7715 61.0521 71.5262 173.5596 150 S 4.1844 8.6049 119.5730 58.0271 62.8232 172.8644 151 P 4.3553 0.0000 0.0000 64.8605 31.4590 176.7862 152 R 4.1477 7.5517 118.6483 54.9666 30.6276 175.8764 153 K 4.0442 8.4921 126.3308 55.7019 32.7318 174.8505 154 P 4.3639 0.0000 0.0000 62.2041 32.0556 176.1943 155 A 4.1610 8.4333 122.7696 52.6190 18.2863 177.5942 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 P 0.00 4.39 0.00 2.19 2.12 0.00 3.74 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 1.93 2.00 0.00 5 T 8.15 4.00 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 1.18 0.00 0.00 6 L 7.90 4.59 0.00 1.45 1.40 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.43 4.41 0.00 3.98 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 8 R 8.58 3.87 0.00 1.75 1.97 0.00 3.22 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 9 A 8.06 4.05 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 10 A 8.07 4.26 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 *12 E 8.32 4.25 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 13 K 8.23 3.93 0.00 1.96 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 14 V 7.76 3.62 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 15 I 7.87 3.88 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.90 0.92 0.00 0.00 16 R 8.40 4.00 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 17 T 8.27 3.91 4.45 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 1.26 0.00 0.00 18 Y 8.33 4.26 0.00 2.85 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 19 Y 8.30 3.31 0.00 2.94 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 20 D 8.52 4.46 0.00 2.89 2.94 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 0.00 0.00 0.00 0.00 21 G 8.44 3.68 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 0.00 0.00 0.00 22 C 8.02 3.95 0.00 2.55 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 0.00 0.00 0.00 23 N 8.00 4.46 0.00 2.69 2.73 0.00 0.00 7.16 7.17 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 24 E 8.45 4.27 0.00 2.01 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 2.42 0.00 25 A 7.72 3.72 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 0.00 0.00 0.00 0.00 0.00 26 D 8.13 4.75 0.00 2.66 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 27 E 8.75 4.12 0.00 2.09 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 2.56 2.34 0.00 28 A 8.21 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 29 K 8.39 4.15 0.00 1.96 1.98 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.47 7.81 *31 I 7.84 4.06 1.91 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 1.33 1.08 0.93 0.00 0.00 32 A 7.91 4.23 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 33 C 7.61 4.35 0.00 2.57 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 34 F 7.66 5.27 0.00 2.91 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 35 V 8.35 3.92 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 0.72 0.00 0.00 1.00 0.00 0.00 36 P 0.00 4.24 0.00 2.15 2.09 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 37 E 7.98 4.54 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 38 A 7.72 4.68 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 39 V 8.22 4.57 1.88 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 0.11 0.00 0.00 0.84 0.00 0.00 40 H 8.75 5.03 0.00 3.02 2.78 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.70 4.84 0.00 2.62 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 42 F 8.31 4.99 0.00 2.95 2.94 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 0.00 0.00 0.00 0.00 43 P 0.00 4.50 0.00 1.82 1.91 0.00 3.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.66 0.00 44 A 8.65 3.87 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 45 G 8.45 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 Y 7.43 4.62 0.00 2.71 3.03 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 48 G 7.74 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 49 G 7.76 3.72 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 0.00 0.00 0.00 50 A 8.40 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.85 4.88 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 9.20 4.44 0.00 1.58 1.78 0.00 3.09 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 1.43 1.47 0.00 53 G 9.08 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 54 A 8.75 3.41 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 55 A 7.77 3.84 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 56 Q 7.71 3.62 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 57 I 7.35 3.06 1.49 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.28 0.72 0.00 0.00 58 A 7.77 3.97 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 59 H 8.06 4.20 0.00 3.12 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.41 3.44 0.00 0.67 0.79 0.00 2.51 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 61 W 7.55 4.87 0.00 3.20 2.85 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 62 R 8.27 3.99 0.00 1.91 2.06 0.00 3.21 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 1.65 1.72 0.00 63 T 8.09 3.86 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 1.19 0.00 0.00 64 A 8.25 4.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.14 3.64 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 1.09 0.00 0.00 1.20 0.00 0.00 66 E 8.23 4.05 0.00 2.13 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 0.00 2.37 2.49 0.00 67 T 8.10 4.27 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 1.28 0.00 0.00 68 L 8.57 4.54 0.00 1.79 1.71 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.80 4.08 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 70 S 8.05 4.11 0.00 3.23 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.44 4.62 0.00 2.94 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 72 W 9.29 5.58 0.00 2.92 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 73 T 9.25 4.92 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 74 I 8.45 4.22 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.09 0.83 0.00 0.00 75 D 9.40 4.84 0.00 2.66 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 76 A 7.70 4.74 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 77 L 8.39 4.91 0.00 1.57 1.52 0.95 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 78 V 9.04 4.41 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 0.77 0.00 0.00 0.95 0.00 0.00 79 I 8.41 4.78 1.86 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 1.27 0.81 0.85 0.00 0.00 80 D 9.24 4.79 0.00 2.67 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 81 A 8.59 4.06 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 82 E 8.33 4.07 0.00 1.94 2.21 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 2.32 2.29 0.00 83 T 8.03 4.30 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 1.28 0.00 0.00 84 A 7.97 3.71 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 85 E 7.87 5.50 0.00 1.94 1.88 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 2.38 2.58 0.00 86 A 9.22 5.30 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 87 A 9.49 5.30 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 88 I 9.03 4.99 2.20 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 1.18 0.95 0.92 0.00 0.00 89 E 9.17 4.91 0.00 2.04 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 2.17 2.14 0.00 90 W 8.67 5.87 0.00 3.76 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.12 5.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 92 H 9.89 4.84 0.00 3.26 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.06 4.50 0.00 3.15 2.94 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 0.00 0.00 0.00 0.00 94 K 8.68 4.75 0.00 1.81 1.67 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.05 1.06 7.81 95 T 8.13 3.91 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 1.18 0.00 0.00 96 N 8.73 4.44 0.00 2.77 2.87 0.00 0.00 6.99 7.36 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 97 Q 8.00 4.41 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 98 D 7.78 4.45 0.00 2.81 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 99 K 7.75 4.79 0.00 1.61 1.60 0.00 1.58 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.60 7.81 100 V 8.24 4.62 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 0.45 0.00 0.00 1.03 0.00 0.00 101 L 8.82 4.68 0.00 1.64 1.45 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.08 4.74 0.00 1.61 1.56 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 103 G 6.75 3.33 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 0.00 104 A 8.29 5.34 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 0.00 105 E 9.76 5.51 0.00 2.30 2.43 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 2.66 2.53 0.00 106 C 9.41 5.10 0.00 3.05 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 0.00 107 V 9.13 4.84 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 0.75 0.00 0.00 1.02 0.00 0.00 108 E 9.12 5.04 0.00 1.97 1.88 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 2.31 2.33 0.00 109 F 8.90 5.01 0.00 3.04 2.98 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 0.00 110 D 9.11 4.67 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 0.00 111 R 8.93 3.92 0.00 1.87 2.14 0.00 3.29 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 112 A 8.19 4.16 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 0.00 113 S 8.22 4.39 0.00 4.05 4.04 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 0.00 114 G 8.43 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 0.00 115 L 7.60 4.83 0.00 1.64 1.67 1.01 0.94 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 0.00 116 I 8.10 3.76 1.02 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.20 0.73 0.00 0.00 117 R 8.90 4.53 0.00 1.84 2.15 0.00 2.84 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 118 E 7.67 5.19 0.00 2.11 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 2.44 2.72 0.00 119 I 8.56 5.02 1.34 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 0.89 0.00 0.00 120 R 9.21 4.85 0.00 1.72 1.51 0.00 2.22 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 121 A 8.16 5.35 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 0.00 0.00 122 F 9.65 4.85 0.00 3.02 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 0.00 123 Y 8.64 5.50 0.00 2.91 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 0.00 124 A 8.50 4.38 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 0.00 125 S 7.51 4.78 0.00 3.92 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 0.00 126 P 0.00 4.48 0.00 2.23 2.06 0.00 3.87 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 2.01 2.00 0.00 127 Q 8.63 3.96 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 128 A 8.48 4.19 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 0.00 129 E 8.63 4.04 0.00 2.24 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 2.31 1.87 0.00 130 G 8.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.51 4.36 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.96 0.00 0.00 132 A 8.74 4.07 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 0.00 133 R 7.81 4.36 0.00 1.75 1.80 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 134 L 8.38 4.51 0.00 1.62 1.66 0.94 0.94 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 0.00 135 E 7.99 4.79 0.00 1.82 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 2.25 2.45 0.00 136 L 8.96 4.51 0.00 1.36 1.53 0.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 137 G 9.22 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 0.00 138 D 8.91 4.76 0.00 3.06 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 0.00 139 F 7.53 4.07 0.00 2.44 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 0.00 140 D 6.91 4.42 0.00 2.56 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 0.00 0.00 0.00 0.00 141 Y 7.69 3.86 0.00 3.06 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 0.00 142 A 8.15 4.19 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 0.00 143 G 8.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.87 4.42 0.00 1.88 2.23 0.00 3.34 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.00 145 G 7.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.15 4.45 0.00 3.29 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 0.00 147 R 8.53 4.20 0.00 1.84 1.89 0.00 3.34 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 148 V 8.36 4.26 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 0.85 0.00 0.00 1.06 0.00 0.00 149 T 7.53 4.66 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 1.21 0.00 0.00 150 S 8.60 4.18 0.00 3.82 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 0.00 151 P 0.00 4.36 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 152 R 7.55 4.15 0.00 1.81 1.82 0.00 3.26 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 153 K 8.49 4.04 0.00 1.75 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 154 P 0.00 4.36 0.00 2.08 1.97 0.00 3.73 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 2.02 2.08 0.00 155 A 8.43 4.16 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 * Residues marked with a * may have inaccurate shift predictions.