NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2329 8.3149 119.9962 56.3174 34.1237 175.6530 3 K 4.0239 8.0040 119.6683 56.2868 32.9064 170.2413 4 V 4.2243 8.6244 120.4058 61.8824 34.3845 173.9441 5 V 4.3259 7.5562 111.1976 59.6125 34.9764 175.0806 6 A 4.3159 7.7655 116.0399 51.0746 21.0634 176.9810 7 V 4.0348 8.0234 126.4453 60.4891 29.6363 176.6486 8 V 3.6275 8.3592 124.1234 63.2544 33.0010 176.6125 9 K 4.9961 7.9000 124.8417 55.4292 30.8878 175.5858 10 L 4.1239 7.1913 120.4074 55.8704 43.1518 179.1241 11 Q 4.6908 8.1193 112.6201 56.3104 30.3452 172.9249 12 L 4.7304 7.5820 122.2446 52.3543 44.3644 176.4059 13 P 4.5173 0.0000 0.0000 62.2299 32.4212 174.9426 14 A 4.8977 8.2876 123.6394 54.9825 19.2197 176.0799 15 G 4.7902 9.5294 115.0184 46.9844 0.0000 174.6484 16 K 4.1379 7.8334 124.3340 55.8338 29.9329 174.7391 17 A 4.7251 8.0700 126.3308 49.2723 19.3118 174.3777 18 T 4.6343 7.7747 110.6023 58.7248 71.1924 174.4429 19 P 4.2247 0.0000 0.0000 64.1681 31.0636 176.2875 20 A 4.0607 8.0192 123.9540 51.3192 18.8248 175.3514 21 P 4.3638 0.0000 0.0000 61.9684 32.1207 174.4310 22 P 4.4994 0.0000 0.0000 63.6175 30.8279 177.2906 23 V 4.0463 7.3465 115.9655 63.2555 31.0835 175.6931 24 G 3.9568 7.7359 105.7952 46.6742 0.0000 174.3073 25 P 4.2278 0.0000 0.0000 64.5223 31.6327 177.1862 26 A 4.2800 7.3079 117.7595 53.1266 19.1373 177.6806 27 L 4.5887 7.8081 114.3694 54.6649 42.0808 177.3146 28 G 3.9724 7.9443 106.9880 45.1774 0.0000 175.0782 29 Q 4.6557 7.9569 117.7037 55.9565 28.6625 175.6268 30 H 4.5012 8.1477 117.2115 55.7667 30.9529 175.8672 31 G 3.5993 8.2690 104.4288 45.8465 0.0000 173.1006 32 A 2.8752 6.9740 119.5118 51.5137 18.7855 179.6241 33 N 4.4003 6.2940 122.0567 52.6369 36.6859 175.2949 34 I 3.8239 7.6711 112.2113 62.0679 37.7707 177.1089 35 M 4.7441 7.4072 116.3837 55.2820 33.3150 175.1551 36 E 4.7006 8.5263 119.5352 56.0686 30.2516 175.7604 37 F 5.0297 8.1965 119.6358 59.4622 41.1903 177.0137 38 V 3.7492 8.1682 117.9220 64.5240 30.1814 176.1425 39 K 4.4381 7.9870 118.6040 56.7535 33.3300 183.1340 40 A 4.3645 8.0751 122.4225 54.4825 18.3903 178.3440 41 F 4.3073 8.2071 119.3305 60.5169 40.0866 176.6152 42 N 4.3095 8.3143 113.2004 53.9096 38.7362 176.4528 43 A 4.1248 7.1911 122.0123 53.8683 19.8702 178.9800 44 A 4.1278 7.0967 114.9474 54.2789 18.8971 178.2071 45 T 4.1831 7.8673 105.0215 61.4473 68.7621 176.1945 46 A 4.1715 7.5845 124.7919 54.0853 19.0469 179.1909 47 N 4.3867 7.8293 114.1743 56.5140 38.9778 175.8230 48 M 3.9038 7.3640 116.9772 54.6179 32.4393 175.9768 49 G 3.8065 6.5035 113.7322 45.9160 0.0000 173.5715 50 D 4.7841 7.5398 122.6441 51.3164 41.5245 173.7624 51 A 3.2471 8.5828 133.9756 52.5324 17.9695 177.1199 52 I 3.9221 7.9714 122.5730 61.7425 38.8102 175.7804 53 V 4.3093 8.1016 123.7789 60.4436 33.4147 173.3971 54 P 4.9042 0.0000 0.0000 62.6475 32.2404 175.6934 55 V 4.8054 8.0051 118.6798 60.8147 34.8758 172.2910 56 E 5.3713 9.0070 123.9637 53.8438 31.9712 174.6109 57 I 5.3279 8.1023 128.8295 60.0320 38.5621 174.8884 58 T 5.6416 8.2710 124.1490 61.2537 70.6581 174.2015 59 I 3.8586 7.9800 126.1759 59.3186 39.8976 174.6923 60 Y 4.8590 7.9020 123.4635 58.0082 38.8486 176.5285 61 A 4.4126 8.8274 125.2666 55.4562 19.8803 178.8452 62 D 4.4848 8.0195 110.7235 54.3757 39.2297 176.1968 63 R 3.8776 8.2676 117.6054 58.0136 27.6164 175.8990 64 S 5.1306 8.0364 110.6511 56.6143 66.7270 172.6978 65 F 5.4957 8.9089 115.3064 55.9228 41.0499 173.3420 66 T 4.3839 7.8608 111.4561 61.5383 71.1959 172.2341 67 F 5.6038 7.8288 115.7504 57.0380 40.3733 173.1450 68 V 4.4183 8.3396 123.6477 61.0445 34.1031 174.0434 69 T 5.3959 8.3442 116.7680 59.6218 71.0932 174.7593 70 K 4.6451 8.3451 123.0211 55.8524 34.8647 176.2578 71 T 4.4550 8.3787 110.8100 60.4092 70.3331 172.5437 72 P 4.5947 0.0000 0.0000 61.3512 32.4283 174.0504 73 P 4.0311 0.0000 0.0000 61.8626 31.7937 176.9534 74 A 4.2576 8.6692 125.3369 54.2916 18.3913 177.8955 75 S 4.4476 7.8949 108.7516 58.7212 62.6945 174.1745 76 Y 4.4364 8.1499 122.2880 60.3852 39.0986 176.9486 77 L 3.5610 7.9192 120.7093 58.7690 40.0427 178.6673 78 I 3.8487 7.5428 117.2373 62.8469 38.3403 177.0769 79 R 4.1533 8.3900 119.6213 58.6219 29.9180 178.5991 80 K 4.0050 7.6785 117.9980 58.8520 33.2269 177.0831 81 A 4.2245 7.4460 122.7997 51.5831 18.3066 176.7168 82 A 4.4378 8.0939 123.4612 52.2789 21.4824 177.3298 83 G 3.8564 8.0211 104.4203 46.8161 0.0000 174.2350 84 L 4.6555 7.9864 119.3923 53.1478 43.7716 175.8430 85 E 4.4949 8.5752 116.5854 57.5230 32.0165 176.4727 86 K 4.6853 7.7588 115.1942 54.3540 36.6071 178.1968 87 G 3.7998 9.0775 109.6560 46.6901 0.0000 174.9872 88 A 4.3063 9.4084 117.2532 52.9806 21.5687 177.6810 89 H 4.4039 8.7220 119.7508 57.6615 26.9354 176.2495 90 K 4.4746 7.3325 122.9157 53.0179 32.3680 173.8418 91 P 4.3681 0.0000 0.0000 63.6703 31.3806 175.0483 92 G 4.1627 8.1421 115.0320 45.8300 0.0000 174.8208 93 R 3.8898 7.7136 122.5143 57.1033 30.8929 176.3734 94 E 4.4995 7.5552 119.0042 54.1133 30.4512 174.8187 95 K 4.7021 8.4433 125.6405 54.5345 33.3455 176.8518 96 V 4.2246 8.0377 121.2428 61.8300 32.5721 174.3660 97 G 4.1310 7.4593 104.0565 47.6698 0.0000 172.0992 98 R 4.8588 8.1535 114.1768 55.6618 31.9491 174.2206 99 I 4.9778 8.0162 120.5143 59.5756 40.8901 176.1442 100 T 5.0639 8.7776 116.2908 60.4175 68.4876 175.2779 101 W 4.3959 8.9098 120.5341 58.8231 28.7890 177.8609 102 E 4.5131 8.1256 117.0563 58.3621 29.8636 177.9556 103 Q 4.8936 8.4553 119.9655 57.4959 28.7990 178.5915 104 V 3.6748 7.4671 119.1718 63.6502 31.8996 177.3386 105 L 4.2726 7.1853 116.0521 55.9118 41.9869 177.4326 106 E 4.3236 7.9936 117.0929 59.3502 30.2352 178.4438 107 I 3.7594 7.3597 120.2166 63.8990 37.0628 177.9013 108 A 4.0883 7.7038 119.5988 54.1847 17.9122 179.1279 109 K 4.1406 7.6107 116.9879 58.9867 32.2488 179.0134 110 Q 4.1313 8.1445 118.9392 58.0434 28.8938 176.8290 111 K 4.9392 7.8574 116.7068 54.9783 33.4556 177.6769 112 M 3.9844 7.8321 119.4784 57.2475 31.2136 175.0935 113 P 4.8525 0.0000 0.0000 63.1978 32.1889 175.9592 114 D 4.7468 7.9964 117.5968 56.9024 45.0811 177.7570 115 L 3.8963 7.3924 109.8211 57.2734 40.7558 176.3959 116 N 4.7143 9.1565 123.0807 55.3736 45.7800 173.9301 117 T 4.1612 7.9149 106.7321 61.9886 69.3907 173.3994 118 T 4.7416 8.1683 110.8071 61.6816 69.8499 173.4386 119 D 4.8874 7.7674 124.1993 54.8188 43.0885 175.8235 120 L 4.6944 8.2064 115.3304 55.4773 47.1530 177.5736 121 E 3.9370 8.2877 116.8846 58.0324 29.5493 177.9412 122 A 4.3759 7.7137 119.7913 53.9464 20.0545 178.5104 123 A 3.8696 7.9063 118.4308 55.5964 18.3939 179.4544 124 A 3.9198 8.1424 119.2115 55.5459 18.2304 180.0891 125 R 3.6045 7.7158 116.2191 59.5116 29.8468 179.0503 126 M 4.0628 7.9290 117.7091 57.6810 32.0100 178.3829 127 I 3.9984 7.4553 119.5515 63.9066 37.6007 177.8527 128 A 4.1254 8.4378 120.6284 54.4611 18.2516 179.5844 129 G 3.7014 8.3202 105.1729 47.7884 0.0000 175.7346 130 S 4.9628 7.7198 115.1264 58.6886 62.8416 176.0324 131 A 4.1632 7.6413 125.2918 55.2547 18.1920 179.5878 132 R 4.2076 7.6617 112.2404 57.2491 30.5588 178.2469 133 S 4.5260 7.8364 116.6404 59.9311 62.8891 174.9759 134 M 4.5133 7.3606 116.0277 53.9439 32.0773 175.3587 135 G 3.9218 8.2247 106.0383 47.5508 0.0000 175.1108 136 V 4.6346 7.9724 117.5642 58.3237 31.6465 176.3127 137 E 4.0663 8.4970 127.2541 57.6848 31.0033 176.3900 138 V 4.5150 8.1435 120.6086 61.2515 32.9596 175.6284 139 V 3.7227 9.2074 129.8550 63.6229 32.3375 175.1912 140 G 4.0302 8.3920 113.3118 44.3842 0.0000 172.1476 *141 A 4.2237 8.4272 121.1975 52.3427 18.9454 176.6096 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 K 8.31 4.23 0.00 1.88 1.97 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 3 K 8.00 4.02 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 4 V 8.62 4.22 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 0.82 0.00 0.00 0.93 0.00 0.00 5 V 7.56 4.33 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 0.79 0.00 0.00 0.95 0.00 0.00 6 A 7.77 4.32 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 7 V 8.02 4.03 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 0.96 0.00 0.00 0.99 0.00 0.00 8 V 8.36 3.63 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 0.84 0.00 0.00 0.87 0.00 0.00 9 K 7.90 5.00 0.00 1.62 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.57 7.81 10 L 7.19 4.12 0.00 1.59 1.55 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.12 4.69 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 12 L 7.58 4.73 0.00 1.57 1.53 0.61 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.04 2.04 0.00 3.64 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 2.02 2.07 0.00 14 A 8.29 4.90 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 15 G 9.53 4.79 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 0.00 0.00 0.00 16 K 7.83 4.14 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 A 8.07 4.73 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 18 T 7.77 4.63 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 1.21 0.00 0.00 19 P 0.00 4.22 0.00 2.16 2.19 0.00 3.76 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 1.97 1.96 0.00 20 A 8.02 4.06 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 21 P 0.00 4.36 0.00 2.02 2.01 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 22 P 0.00 4.50 0.00 2.16 2.21 0.00 3.63 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 2.00 1.90 0.00 23 V 7.35 4.05 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 0.62 0.00 0.00 0.85 0.00 0.00 24 G 7.74 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 25 P 0.00 4.23 0.00 2.16 2.17 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 26 A 7.31 4.28 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 27 L 7.81 4.59 0.00 1.57 1.53 0.74 0.65 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 28 G 7.94 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.96 4.66 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 30 H 8.15 4.50 0.00 3.13 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.27 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.97 2.88 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 33 N 6.29 4.40 0.00 2.40 2.74 0.00 0.00 6.96 7.71 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 34 I 7.67 3.82 1.81 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 1.45 0.65 0.79 0.00 0.00 35 M 7.41 4.74 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 36 E 8.53 4.70 0.00 2.22 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 2.50 2.51 0.00 37 F 8.20 5.03 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.17 3.75 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 0.86 0.00 0.00 1.07 0.00 0.00 39 K 7.99 4.44 0.00 1.67 1.72 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 40 A 8.08 4.36 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.31 0.00 2.27 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 42 N 8.31 4.31 0.00 2.93 2.77 0.00 0.00 7.43 8.00 0.00 0.00 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 A 7.19 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.10 4.13 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.87 4.18 3.75 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 0.42 0.00 0.00 46 A 7.58 4.17 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 47 N 7.83 4.39 0.00 2.65 2.89 0.00 0.00 7.03 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 48 M 7.36 3.90 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 49 G 6.50 3.81 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 0.00 0.00 0.00 50 D 7.54 4.78 0.00 2.62 2.40 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 51 A 8.58 3.25 0.09 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 0.00 0.00 52 I 7.97 3.92 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 1.23 1.09 0.95 0.00 0.00 53 V 8.10 4.31 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 1.04 0.00 0.00 1.30 0.00 0.00 54 P 0.00 4.90 0.00 2.14 2.14 0.00 4.01 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 55 V 8.01 4.81 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 0.50 0.00 0.00 1.12 0.00 0.00 56 E 9.01 5.37 0.00 2.05 1.86 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 2.18 2.27 0.00 57 I 8.10 5.33 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.73 1.02 0.00 0.00 58 T 8.27 5.64 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 1.20 0.00 0.00 59 I 7.98 3.86 0.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.76 0.00 0.00 60 Y 7.90 4.86 0.00 3.03 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.41 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 62 D 8.02 4.48 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 63 R 8.27 3.88 0.00 2.00 2.14 0.00 3.11 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 64 S 8.04 5.13 0.00 4.09 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 65 F 8.91 5.50 0.00 3.07 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 66 T 7.86 4.38 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 F 7.83 5.60 0.00 2.92 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 68 V 8.34 4.42 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.86 0.00 0.00 69 T 8.34 5.40 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 1.51 0.00 0.00 70 K 8.35 4.65 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 71 T 8.38 4.45 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 1.34 0.00 0.00 72 P 0.00 4.59 0.00 2.17 2.04 0.00 3.47 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 73 P 0.00 4.03 0.00 2.28 2.06 0.00 3.60 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 2.14 2.17 0.00 74 A 8.67 4.26 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 75 S 7.89 4.45 0.00 3.88 3.94 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 76 Y 8.15 4.44 0.00 3.02 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 77 L 7.92 3.56 0.00 1.85 1.88 1.04 0.71 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 78 I 7.54 3.85 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 1.62 0.81 0.93 0.00 0.00 79 R 8.39 4.15 0.00 1.89 1.94 0.00 3.40 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 80 K 7.68 4.01 0.00 1.86 1.83 0.00 1.23 0.00 0.00 1.67 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.36 7.81 81 A 7.45 4.22 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 82 A 8.09 4.44 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 83 G 8.02 3.86 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 0.00 0.00 0.00 84 L 7.99 4.66 0.00 1.80 1.61 0.92 0.68 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 85 E 8.58 4.49 0.00 1.91 1.94 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 2.21 2.27 0.00 86 K 7.76 4.69 0.00 1.91 1.84 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 87 G 9.08 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 88 A 9.41 4.31 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 89 H 8.72 4.40 0.00 3.30 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.33 4.47 0.00 1.78 1.72 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 P 0.00 4.37 0.00 2.04 2.21 0.00 3.67 0.00 0.00 3.77 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 92 G 8.14 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 93 R 7.71 3.89 0.00 1.79 1.98 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 94 E 7.56 4.50 0.00 2.08 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 2.20 2.23 0.00 95 K 8.44 4.70 0.00 1.76 1.72 0.00 1.69 0.00 0.00 2.29 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.44 7.81 96 V 8.04 4.22 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 0.80 0.00 0.00 0.92 0.00 0.00 97 G 7.46 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.15 4.86 0.00 1.87 1.91 0.00 3.00 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 99 I 8.02 4.98 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 1.35 1.24 0.94 0.00 0.00 100 T 8.78 5.06 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 1.23 0.00 0.00 101 W 8.91 4.40 0.00 3.31 3.30 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 0.00 102 E 8.13 4.51 0.00 2.23 2.26 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 2.35 2.42 0.00 103 Q 8.46 4.89 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.25 0.00 104 V 7.47 3.67 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 0.76 0.00 0.00 0.92 0.00 0.00 105 L 7.19 4.27 0.00 1.85 1.81 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.99 4.32 0.00 2.26 2.30 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 2.36 2.33 0.00 107 I 7.36 3.76 1.87 0.00 0.00 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 1.44 0.75 0.91 0.00 0.00 108 A 7.70 4.09 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 0.00 109 K 7.61 4.14 0.00 2.02 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 110 Q 8.14 4.13 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.20 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 111 K 7.86 4.94 0.00 1.82 1.74 0.00 2.05 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.37 7.81 112 M 7.83 3.98 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 113 P 0.00 4.85 0.00 2.20 2.17 0.00 3.58 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 1.96 1.98 0.00 114 D 8.00 4.75 0.00 2.74 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 0.00 115 L 7.39 3.90 0.00 1.71 1.25 0.92 0.98 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 0.00 116 N 9.16 4.71 0.00 2.62 2.74 0.00 0.00 6.89 7.70 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 0.00 117 T 7.91 4.16 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 1.20 0.00 0.00 118 T 8.17 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 D 7.77 4.89 0.00 2.65 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 0.00 120 L 8.21 4.69 0.00 1.63 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.29 3.94 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 122 A 7.71 4.38 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 0.00 123 A 7.91 3.87 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 0.00 124 A 8.14 3.92 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 0.00 125 R 7.72 3.60 0.00 1.97 1.94 0.00 3.05 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 126 M 7.93 4.06 0.00 1.98 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 127 I 7.46 4.00 2.02 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 1.75 1.04 0.90 0.00 0.00 128 A 8.44 4.13 1.24 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 0.00 129 G 8.32 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 0.00 0.00 0.00 130 S 7.72 4.96 0.00 3.94 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 0.00 131 A 7.64 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 0.00 132 R 7.66 4.21 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 133 S 7.84 4.53 0.00 4.04 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 0.00 134 M 7.36 4.51 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 135 G 8.22 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 0.00 136 V 7.97 4.63 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 0.81 0.00 0.00 0.96 0.00 0.00 137 E 8.50 4.07 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 138 V 8.14 4.52 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 0.93 0.00 0.00 0.94 0.00 0.00 139 V 9.21 3.72 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 0.85 0.00 0.00 0.93 0.00 0.00 140 G 8.39 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 0.00 0.00 0.00 *141 A 8.43 4.22 1.24 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 * Residues marked with a * may have inaccurate shift predictions.