NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.6558 8.3244 122.8217 57.9924 40.5035 173.7510 4 L 4.1342 7.1112 128.8325 51.7213 44.7292 173.1676 *6 K 4.0298 9.0090 120.2277 56.2551 33.7705 174.3772 7 I 4.4948 8.0350 125.3056 59.7080 39.5019 175.6898 8 S 4.2545 8.7344 120.0108 60.3099 62.5881 173.2470 9 H 4.5209 7.3724 111.1957 54.9725 30.3765 172.1676 10 L 4.3559 8.4047 121.7808 54.1369 42.9136 175.2841 11 D 4.6785 8.7107 126.2326 57.0029 42.2786 175.1867 12 H 5.6372 7.8156 109.8883 55.5976 31.2862 172.1935 13 L 4.8868 8.3230 117.9424 54.2130 44.3851 174.8403 14 V 4.6877 8.3110 119.4398 61.3544 33.2238 174.6204 15 L 4.6701 8.8214 128.1240 53.5711 44.1312 175.4310 16 T 4.9568 8.3960 120.0864 62.3856 70.2690 174.1925 17 V 4.7727 9.0160 119.2090 59.2492 35.4847 177.0014 18 A 3.8760 9.2928 126.1670 54.9659 18.6363 178.5166 19 D 4.6445 7.7871 115.7006 52.0662 43.7383 175.3957 20 I 3.7395 9.0051 129.6293 64.2358 37.2791 176.6313 21 P 4.3227 0.0000 0.0000 65.8870 31.1794 178.7385 22 T 3.9386 8.1689 114.4451 66.9983 68.3234 176.8103 23 T 4.0488 8.0973 117.5159 66.9234 68.4280 176.6952 24 T 3.9861 8.5484 117.9632 66.8528 68.5830 175.9090 25 N 4.3002 8.2866 118.7116 56.7211 38.9430 176.4760 26 F 3.9966 8.3377 121.7898 61.7948 39.4784 176.8540 27 Y 4.1692 8.6413 116.3851 60.7083 37.4827 178.2827 28 E 3.9706 8.5685 119.9235 59.4596 29.4288 179.5802 29 K 3.9433 7.7581 116.8724 59.3232 32.2920 178.8333 30 V 3.4963 7.7388 117.9034 64.7867 31.4743 176.5673 31 L 4.4148 7.3714 115.9354 53.5460 42.0492 175.4398 32 G 3.6542 7.7064 110.7675 45.2289 0.0000 171.3402 *34 K 4.1247 7.8435 123.3593 56.3487 33.9628 173.7740 35 A 5.0150 9.0056 129.9793 51.5561 19.4995 176.8920 36 V 4.6045 9.0814 115.4548 59.7033 36.0885 175.1310 37 S 5.3420 8.6539 118.9378 57.8679 64.8761 173.1092 38 F 4.6738 8.9909 116.4989 55.9963 41.2536 174.7596 39 G 3.7271 8.9207 107.6020 47.1826 0.0000 175.9755 40 A 4.2619 8.3533 119.3745 51.1933 17.5292 176.5663 41 G 3.8424 8.1673 107.2098 46.1089 0.0000 171.6507 42 R 4.1509 7.2285 118.1954 55.2388 31.7947 175.6553 43 I 5.2703 8.0596 120.7824 59.6799 41.1977 174.3534 44 A 5.2745 9.3763 126.7693 50.3400 23.3410 174.6060 45 L 5.1079 9.0155 120.0624 53.2410 43.8217 175.5623 46 E 5.0879 9.2220 124.7705 54.8773 31.2695 175.8878 47 F 4.9336 8.4780 117.2178 56.8099 42.1475 174.6833 48 G 3.8827 8.3013 112.4303 47.6279 0.0000 173.6108 49 H 4.9369 8.7419 117.6689 55.2487 29.3190 173.0671 50 Q 4.8289 7.7670 118.1527 54.3190 33.7264 173.9274 51 K 4.7270 8.2311 117.6148 56.1256 36.7755 174.8277 52 I 4.9056 8.8133 121.9517 59.6106 39.6222 175.0477 53 N 4.9651 9.1960 125.7989 52.9679 39.8809 174.1743 54 L 5.1775 8.4835 122.8859 53.4033 44.0446 175.6469 55 H 4.9588 9.1342 120.2941 53.9500 32.4013 172.5608 56 Q 4.8028 8.5080 123.7604 54.5505 30.5275 174.6901 57 L 4.1214 8.5255 129.0228 57.0101 42.5251 176.0476 58 G 4.1433 9.0138 113.2794 45.7943 0.0000 173.8286 59 N 4.5151 7.7727 116.4137 52.8256 39.0901 174.6189 60 E 4.2494 8.6183 122.0602 56.0756 30.0858 176.1655 61 F 4.7547 8.4334 124.6811 56.9360 42.6403 173.1029 62 E 4.6693 6.9271 124.3384 54.4734 33.3233 173.4140 63 P 4.7281 0.0000 0.0000 61.8604 32.9772 174.3317 64 K 4.6287 8.1085 116.5539 55.2224 35.4213 175.2441 65 A 4.0856 8.5228 121.2293 52.5687 18.6478 177.4485 66 Q 4.1591 8.8752 122.3869 58.7400 29.3981 176.7659 67 N 5.0010 7.6164 113.9821 50.6669 38.7377 173.9454 68 V 3.7737 7.6656 113.4877 61.5398 32.7026 176.2901 69 R 4.4925 8.0480 122.1371 55.1707 32.7708 175.1373 70 V 4.1795 7.7915 118.8537 62.2311 32.1317 176.1918 71 G 3.9332 9.0835 110.6019 46.8990 0.0000 174.0754 72 S 4.5275 8.1583 111.0654 57.6208 63.9074 173.4268 73 A 4.6920 8.4651 124.1419 51.0767 21.5734 176.5049 74 D 4.9059 8.3928 119.4086 53.3198 43.1079 174.0721 75 L 4.6235 9.0003 126.1463 52.6065 45.4902 175.2516 76 C 4.9457 8.2275 122.6272 57.6120 33.7446 172.6969 77 F 4.9115 9.0067 125.6068 55.8938 41.1220 174.9497 78 I 4.8363 8.4439 123.4080 60.5561 38.3794 174.9651 79 T 4.7333 8.7656 120.9338 60.5976 69.6760 173.6266 80 D 4.7233 8.8037 125.4019 54.6137 41.6188 176.9825 81 T 4.2129 7.4746 109.7981 60.5366 69.8971 174.5398 82 V 3.7105 8.1109 122.1466 62.5835 32.0986 176.5617 83 L 4.1090 8.7422 129.4504 58.2071 42.2069 178.2305 84 S 4.1877 8.0261 112.0439 61.2564 63.4510 175.1860 85 D 4.3824 8.2298 120.4679 57.2575 40.9024 179.1329 86 A 4.3470 7.9112 120.0191 52.4442 17.8254 179.0982 *88 K 4.0697 8.1880 122.4166 58.2554 34.0246 177.2922 89 H 3.9946 8.3523 117.0559 59.2656 29.9894 177.1029 90 V 3.4348 7.6559 119.8342 65.9137 31.3817 177.4532 91 E 4.0084 7.9427 118.5115 59.4965 29.2642 178.1325 92 D 4.4778 7.9571 117.1257 56.1800 40.9418 177.5018 93 Q 4.3009 7.4924 117.6236 55.3711 28.8198 176.2349 94 G 3.7996 7.7430 108.0940 45.7481 0.0000 173.4114 95 V 4.1596 7.3334 118.7268 61.0261 32.5317 175.6811 96 T 4.0253 8.4664 124.4717 63.5909 68.6888 174.7515 97 I 4.3967 8.0922 127.9338 60.2374 38.9359 174.5114 *99 E 4.1680 8.2976 118.1081 56.3166 30.3324 173.9519 100 G 4.6467 8.4105 105.3238 42.7942 0.0000 171.2620 101 P 4.9299 0.0000 0.0000 62.6258 32.3277 175.9834 102 V 4.6617 8.8627 115.3823 59.3746 36.2709 174.7935 103 K 4.6443 8.6770 123.0114 56.6480 32.8786 176.4823 104 R 4.7710 9.0412 123.3177 55.1582 35.2168 173.3591 105 T 4.7181 8.5860 115.7753 62.2654 70.5839 174.9738 106 G 3.9882 8.9225 115.4804 43.2234 0.0000 173.9865 107 A 4.0171 8.7261 121.3309 54.6470 18.2734 178.5244 108 Q 4.5333 9.6964 112.4313 54.8606 29.7365 176.0543 109 G 3.8412 7.4564 106.0124 43.9902 0.0000 172.8134 110 A 4.7159 8.3642 122.6064 52.1596 19.0580 177.4463 111 I 4.6369 8.7113 113.9903 59.3917 42.0028 174.0411 112 T 5.0610 8.4916 118.8964 62.0496 71.0900 173.9119 113 S 5.3266 9.2487 121.1388 56.7469 67.7615 172.7590 114 F 5.6304 8.7264 115.6492 55.5795 41.5679 173.1283 115 Y 5.2338 8.9101 116.6480 56.6297 41.4791 174.7107 116 F 5.0236 8.5570 115.9174 56.6685 41.9079 172.6441 117 R 5.2273 8.8040 117.7355 54.4760 32.8727 176.2627 118 D 3.6914 8.3449 121.9214 51.0942 41.1105 175.4854 119 P 4.0843 0.0000 0.0000 65.2501 31.3552 177.2508 120 D 4.5329 8.3775 116.5062 54.1857 41.2682 177.7936 121 G 4.1245 8.1020 107.8733 44.5793 0.0000 173.6997 122 N 4.5534 8.1285 117.3941 53.3970 40.0076 173.5582 123 L 4.6675 8.7102 125.0208 54.2403 43.9395 175.1717 124 I 4.6720 8.6189 127.3950 59.3190 40.0981 173.9244 125 E 4.3607 8.9358 128.5936 54.0178 31.9991 174.4742 126 V 4.7296 7.6729 126.7659 61.2403 34.0723 174.5189 127 S 5.1507 8.8397 122.1592 57.4198 68.0262 172.7010 128 T 4.9451 8.5545 115.0850 60.7648 70.5536 174.2439 129 Y 4.2298 8.8896 122.9766 59.2539 38.6544 175.9813 130 S 4.4342 8.1176 121.2371 58.6467 63.0185 173.8577 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 3 F 8.32 4.66 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.11 4.13 0.00 1.47 1.24 0.82 0.21 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 *6 K 9.01 4.03 0.00 1.68 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.43 7.81 7 I 8.04 4.49 1.87 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 1.30 1.03 0.92 0.00 0.00 8 S 8.73 4.25 0.00 3.86 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 9 H 7.37 4.52 0.00 3.25 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.40 4.36 0.00 1.63 1.64 0.92 1.21 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 11 D 8.71 4.68 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 5.64 0.00 3.22 3.11 0.00 5.13 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.32 4.89 0.00 1.72 1.75 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.31 4.69 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 0.43 0.00 0.00 0.83 0.00 0.00 15 L 8.82 4.67 0.00 1.57 1.54 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.40 4.96 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 1.23 0.00 0.00 17 V 9.02 4.77 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 0.80 0.00 0.00 0.97 0.00 0.00 18 A 9.29 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.79 4.64 0.00 2.76 2.52 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 20 I 9.01 3.74 1.89 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 1.54 0.40 0.94 0.00 0.00 21 P 0.00 4.32 0.00 2.28 2.13 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 22 T 8.17 3.94 4.40 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 1.25 0.00 0.00 23 T 8.10 4.05 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 24 T 8.55 3.99 4.47 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 1.28 0.00 0.00 25 N 8.29 4.30 0.00 2.86 3.06 0.00 0.00 6.94 7.18 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 26 F 8.34 4.00 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.64 4.17 0.00 3.21 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 28 E 8.57 3.97 0.00 2.11 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 2.39 2.61 0.00 29 K 7.76 3.94 0.00 1.69 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.55 7.81 30 V 7.74 3.50 1.02 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 0.14 0.00 0.00 -0.01 0.00 0.00 31 L 7.37 4.41 0.00 1.71 1.45 0.85 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.71 3.65 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 0.00 0.00 0.00 *34 K 7.84 4.12 0.00 1.91 1.79 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 35 A 9.01 5.02 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 36 V 9.08 4.60 2.14 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 0.91 0.00 0.00 1.12 0.00 0.00 37 S 8.65 5.34 0.00 3.78 3.78 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 38 F 8.99 4.67 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.92 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 40 A 8.35 4.26 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 41 G 8.17 3.84 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 0.00 42 R 7.23 4.15 0.00 0.67 0.85 0.00 2.99 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.32 0.00 43 I 8.06 5.27 1.88 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 1.27 0.78 0.96 0.00 0.00 44 A 9.38 5.27 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 45 L 9.02 5.11 0.00 1.58 1.65 0.67 1.00 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 46 E 9.22 5.09 0.00 1.81 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 2.20 2.23 0.00 47 F 8.48 4.93 0.00 3.19 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 48 G 8.30 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 49 H 8.74 4.94 0.00 3.06 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.77 4.83 0.00 1.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 51 K 8.23 4.73 0.00 1.78 1.67 0.00 0.97 0.00 0.00 1.36 0.00 0.00 2.43 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.15 1.28 7.81 52 I 8.81 4.91 1.91 0.00 0.00 0.97 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 1.10 0.86 0.00 0.00 53 N 9.20 4.97 0.00 2.65 2.76 0.00 0.00 6.44 7.16 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 54 L 8.48 5.18 0.00 1.55 1.58 0.95 0.94 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 55 H 9.13 4.96 0.00 2.96 3.09 0.00 5.62 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 56 Q 8.51 4.80 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 57 L 8.53 4.12 0.00 1.63 1.60 0.94 1.50 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 58 G 9.01 4.14 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 0.00 0.00 0.00 59 N 7.77 4.52 0.00 2.89 2.78 0.00 0.00 7.05 7.28 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 60 E 8.62 4.25 0.00 1.97 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 2.32 2.31 0.00 61 F 8.43 4.75 0.00 2.84 2.84 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 62 E 6.93 4.67 0.00 1.75 1.68 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 2.16 2.19 0.00 63 P 0.00 4.73 0.00 2.21 2.07 0.00 3.60 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 1.99 2.06 0.00 64 K 8.11 4.63 0.00 1.95 2.10 0.00 1.73 0.00 0.00 2.08 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.52 7.81 65 A 8.52 4.09 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 66 Q 8.88 4.16 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 67 N 7.62 5.00 0.00 2.71 2.71 0.00 0.00 6.91 7.68 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 68 V 7.67 3.77 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 0.74 0.00 0.00 0.96 0.00 0.00 69 R 8.05 4.49 0.00 1.71 1.76 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 70 V 7.79 4.18 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 1.08 0.00 0.00 0.93 0.00 0.00 71 G 9.08 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 72 S 8.16 4.53 0.00 3.97 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 73 A 8.47 4.69 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 74 D 8.39 4.91 0.00 2.62 2.52 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 75 L 9.00 4.62 0.00 1.30 0.77 1.00 0.79 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 76 C 8.23 4.95 0.00 2.89 2.61 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 77 F 9.01 4.91 0.00 2.83 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 78 I 8.44 4.84 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 1.11 0.00 0.00 79 T 8.77 4.73 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 1.32 0.00 0.00 80 D 8.80 4.72 0.00 2.73 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 81 T 7.47 4.21 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 82 V 8.11 3.71 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 0.95 0.00 0.00 0.94 0.00 0.00 83 L 8.74 4.11 0.00 1.69 1.74 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.03 4.19 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.23 4.38 0.00 2.91 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 86 A 7.91 4.35 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 *88 K 8.19 4.07 0.00 1.74 1.99 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.37 7.81 89 H 8.35 3.99 0.00 3.11 3.49 0.00 6.01 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.66 3.43 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 0.23 0.00 0.00 0.93 0.00 0.00 91 E 7.94 4.01 0.00 1.94 1.97 0.00 0.00 0.00 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 2.35 0.00 92 D 7.96 4.48 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.49 4.30 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.15 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 94 G 7.74 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 0.00 0.00 0.00 95 V 7.33 4.16 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 0.77 0.00 0.00 0.89 0.00 0.00 96 T 8.47 4.03 4.32 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 1.26 0.00 0.00 97 I 8.09 4.40 1.92 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 1.46 0.69 1.12 0.00 0.00 *99 E 8.30 4.17 0.00 2.24 2.16 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 2.27 2.50 0.00 100 G 8.41 4.65 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 0.00 0.00 0.00 101 P 0.00 4.93 0.00 2.13 2.11 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 102 V 8.86 4.66 2.16 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 0.84 0.00 0.00 1.21 0.00 0.00 103 K 8.68 4.64 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 104 R 9.04 4.77 0.00 1.63 1.82 0.00 3.36 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 105 T 8.59 4.72 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 1.23 0.00 0.00 106 G 8.92 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 0.00 107 A 8.73 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.70 4.53 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 109 G 7.46 3.84 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 0.00 110 A 8.36 4.72 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 0.00 111 I 8.71 4.64 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 -0.07 0.00 0.00 112 T 8.49 5.06 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 1.29 0.00 0.00 113 S 9.25 5.33 0.00 3.59 3.21 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 0.00 114 F 8.73 5.63 0.00 3.25 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 0.00 115 Y 8.91 5.23 0.00 2.88 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 0.00 116 F 8.56 5.02 0.00 3.30 3.32 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 0.00 117 R 8.80 5.23 0.00 1.74 1.86 0.00 3.21 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 118 D 8.34 3.69 0.00 1.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 4.08 0.00 1.96 2.08 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 120 D 8.38 4.53 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.10 4.12 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 0.00 0.00 0.00 122 N 8.13 4.55 0.00 2.97 2.79 0.00 0.00 6.68 6.74 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 0.00 123 L 8.71 4.67 0.00 1.77 1.52 0.97 0.82 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 0.00 124 I 8.62 4.67 0.56 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.89 0.71 0.00 0.00 125 E 8.94 4.36 0.00 1.55 1.54 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 1.68 1.47 0.00 126 V 7.67 4.73 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 0.00 0.00 0.98 0.00 0.00 0.92 0.00 0.00 127 S 8.84 5.15 0.00 3.59 3.45 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 0.00 128 T 8.55 4.95 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 1.23 0.00 0.00 129 Y 8.89 4.23 0.00 3.05 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 0.00 130 S 8.12 4.43 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.