NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3350 8.3049 120.3445 55.1465 33.1897 174.4815 2 K 3.9870 8.5982 125.5151 54.5440 34.0160 173.9833 3 T 3.9773 8.2598 122.2806 62.2897 71.9745 173.2663 4 Y 4.6169 8.4104 114.5296 59.5373 43.6153 175.3667 5 V 3.2443 7.0188 118.4881 60.5868 31.6590 173.1872 6 P 4.6528 0.0000 0.0000 61.6614 32.5459 175.9622 7 K 4.2854 8.3380 119.3680 55.8067 32.8466 175.4846 8 Q 3.9672 8.3624 121.8859 55.2435 28.3229 177.6283 9 V 3.7184 7.8017 121.1741 62.8394 32.4261 174.4254 10 E 4.5006 8.3747 123.3548 53.4791 30.5128 173.9146 11 P 4.4514 0.0000 0.0000 63.1436 30.0660 174.6873 12 R 4.3645 8.3877 126.1253 56.0924 31.1495 175.8887 13 W 4.8865 9.1880 126.4229 56.7547 30.7528 175.4930 14 V 4.6291 8.5365 118.8557 61.8894 34.9842 172.3156 15 L 5.3084 8.3680 127.3454 53.5586 45.5927 174.7421 16 I 4.5755 8.5086 123.3039 60.4910 42.0899 173.2324 17 D 4.7758 8.6875 127.9081 53.6052 42.3459 174.6934 18 A 4.5563 8.0915 132.6321 49.5531 18.2099 177.1337 19 E 3.8869 8.2472 121.8094 58.5344 30.1709 180.2985 20 G 3.9262 7.8058 107.0896 45.3094 0.0000 172.8406 21 K 4.5841 8.0128 120.4468 54.1579 35.7999 175.5766 22 T 5.1610 8.7699 122.4218 62.9998 68.2924 173.1198 23 L 3.9919 8.4164 126.4370 57.8284 40.0371 175.9439 24 G 4.3493 9.2698 111.0434 46.4144 0.0000 175.9649 25 R 4.0587 8.1987 118.2220 57.6483 30.2873 177.9844 26 L 4.5750 7.7683 117.6504 56.2755 41.8047 177.8316 27 A 4.1906 7.9020 120.3451 54.0545 18.5236 178.6136 28 T 3.8248 7.5844 110.8625 64.0101 67.5311 176.8503 29 K 4.0132 7.7855 120.2010 59.4815 32.3379 178.8435 30 I 3.6177 7.6670 119.7569 64.6178 37.0027 178.0138 31 A 3.9526 7.5463 120.7865 55.7391 18.3105 179.7817 32 T 3.7376 7.4360 112.5941 66.7669 68.2951 176.8305 33 L 3.9248 7.8948 120.9253 57.5157 41.6797 179.3015 34 L 3.9878 8.2357 119.3849 56.5342 42.6225 177.4755 35 R 4.9741 7.4592 118.4957 56.0243 28.7273 176.8576 36 G 4.2028 6.7988 108.3298 47.3654 0.0000 171.3401 37 K 4.1264 8.7519 123.4385 56.2929 33.1163 176.4958 38 H 4.5708 8.3765 112.8836 57.0410 29.7202 175.3236 39 R 4.4886 7.5064 117.3441 53.4930 30.7882 175.2843 40 P 4.3321 0.0000 0.0000 64.3152 30.9566 176.0655 41 D 4.7546 8.4561 116.9579 53.7734 41.0622 176.2854 42 W 4.3929 8.1669 129.0788 58.5046 30.7539 175.4429 43 T 3.9431 6.8516 121.4207 60.9450 70.8382 171.4893 44 P 3.8514 0.0000 0.0000 64.7690 30.9617 175.6932 45 N 4.6631 7.0881 116.2366 50.7737 36.3414 172.7245 46 V 3.7762 7.2636 129.3527 58.9283 37.4728 172.9041 47 A 4.2804 7.9843 126.0091 52.5642 15.8882 177.8120 48 M 4.5957 7.7640 120.4924 54.4077 33.3237 176.9227 49 G 4.3139 7.7919 105.8009 45.6060 0.0000 174.0490 50 D 4.9983 8.2686 125.5326 53.0768 41.7254 176.0792 51 F 3.6290 9.0141 122.9197 57.9305 39.6213 174.0852 52 V 4.5127 8.0564 124.6925 61.8388 32.9526 174.7779 53 V 4.8332 8.9447 128.4809 61.8937 34.0339 174.9781 54 V 5.6988 9.0806 125.9426 60.1895 32.8054 175.1008 55 V 4.1425 8.2987 126.4353 59.8730 33.1301 175.6111 56 N 4.1465 8.6337 115.9481 54.6322 37.3195 174.6192 57 A 4.3611 8.4927 126.0808 51.7887 18.6398 176.3009 58 D 3.9149 9.5864 112.0797 56.0814 40.8536 175.4754 59 K 4.6607 8.7499 114.1666 58.3660 31.5007 175.5367 60 I 4.4741 8.4957 118.0032 61.0515 38.2468 175.4056 61 R 4.7020 8.8989 123.8500 54.5510 32.3083 175.7626 62 V 4.5451 7.7710 122.9990 60.4067 33.3859 176.9554 63 T 3.8073 7.6517 117.3325 62.4427 72.0088 176.5658 64 G 4.1641 8.2812 123.5258 45.3022 0.0000 175.9375 65 K 3.9244 8.7923 129.4280 57.0167 31.0995 175.9374 66 K 4.6133 8.3864 120.6583 55.7447 34.2439 176.3341 67 L 4.6170 7.9899 118.6051 55.0612 43.8817 175.9546 68 E 4.2563 9.3016 123.6240 56.3057 27.8615 176.4492 69 Q 4.1591 7.8917 116.0872 58.0105 29.6174 175.9076 70 K 4.2335 7.8109 119.6926 56.0627 33.2667 175.4394 71 I 4.9834 8.1062 126.9820 59.8319 41.0735 174.3132 72 Y 4.4935 9.3618 123.0929 56.8341 40.6690 174.8290 73 T 5.2594 8.2160 116.4833 62.3128 72.8438 173.8711 74 R 4.4275 8.3424 121.3611 55.9113 34.0979 172.9198 75 Y 5.2140 8.7510 128.7637 55.6548 40.0850 174.8334 76 S 4.1408 8.4591 122.5644 57.5594 63.9611 175.9254 77 G 3.7455 8.8644 112.5718 48.2584 0.0000 173.0391 78 Y 4.2298 8.1471 117.8738 56.3094 38.7728 173.0960 79 P 4.5523 0.0000 0.0000 63.9116 31.9941 177.2767 80 G 3.9672 9.2465 109.8427 45.9841 0.0000 175.0274 81 G 3.8901 7.9488 107.0084 46.0502 0.0000 173.0747 82 L 4.8163 7.8680 122.6864 54.6350 42.7340 175.8902 83 K 4.6806 9.2583 127.3237 54.5523 35.0227 174.4958 84 K 5.0232 8.7397 126.2331 54.8546 34.4534 175.8254 85 I 4.6880 8.6654 124.8478 58.9967 41.0457 173.8992 86 P 5.2849 0.0000 0.0000 61.2769 32.8088 177.4184 87 L 4.0763 8.7901 117.4698 58.4814 41.5035 179.6714 88 E 3.8971 8.0403 118.0719 59.4745 29.5295 179.9282 89 K 3.9935 8.0478 117.9153 59.6936 31.9973 178.9517 90 M 4.0339 7.4651 117.8292 58.4804 31.9815 178.2753 91 L 4.0942 8.1045 118.1516 58.0712 42.0029 179.1392 92 A 4.2129 7.7873 119.0990 54.0157 18.3973 177.9494 93 T 4.2734 7.5986 111.2542 61.9787 70.6404 173.0390 94 H 4.8619 9.1439 125.4481 56.7134 25.1910 174.3127 95 P 4.5846 0.0000 0.0000 63.7761 31.6135 177.2484 96 E 4.3441 8.0038 119.2429 58.7726 30.2515 178.3486 97 R 3.9362 7.9151 118.5100 59.0822 29.8897 178.5840 98 V 3.5576 7.7740 116.7676 65.5422 31.4982 176.9403 99 L 4.3959 7.5611 118.4942 57.1895 42.1591 177.6753 100 E 4.1187 8.7291 118.8986 60.0465 29.4089 179.0058 101 H 4.2136 8.7769 115.7912 59.1108 28.9248 177.3580 102 A 4.2516 8.0651 119.5407 53.6055 18.8612 177.7563 103 V 4.2232 7.6694 114.2484 64.2063 33.3797 177.3794 104 K 4.1050 9.5442 121.4255 59.3624 32.0824 178.7968 105 G 3.5990 7.8281 107.3877 48.4297 0.0000 174.0161 106 M 4.4484 8.4651 117.7219 54.7722 32.0364 175.3963 107 L 4.6839 7.3565 119.8409 51.8332 43.5968 174.7979 108 P 4.3805 0.0000 0.0000 63.0325 31.5629 177.0681 109 K 3.9455 8.5583 117.7100 58.6887 32.6153 178.3934 110 G 3.9746 8.0054 104.9398 44.1389 0.0000 171.9490 111 P 4.3787 0.0000 0.0000 66.0057 31.0192 177.7254 112 L 4.0721 8.1957 118.7900 58.4239 41.6480 178.1867 113 G 3.8905 7.7471 106.2285 45.5089 0.0000 173.9724 114 R 4.2827 7.4121 120.2602 58.5730 30.5974 178.2151 115 R 3.9314 8.2428 118.8444 59.3224 28.6190 178.1758 116 L 3.9595 8.3685 118.5066 56.7510 41.3180 178.5727 117 F 4.4186 7.8960 119.9659 59.9085 39.5079 176.6769 118 K 4.0038 7.9408 117.9927 59.3961 32.1399 178.3838 119 R 3.2329 7.7531 116.6690 58.9768 29.9497 176.6421 120 L 3.9195 6.6246 117.8515 55.6426 42.6767 175.8413 121 K 4.3730 9.0577 126.9571 54.6667 34.9517 174.7256 122 V 5.0326 8.0922 126.8851 61.4101 34.2778 174.0497 123 Y 4.8716 9.1157 122.9871 55.6790 42.6889 175.2897 124 A 4.9036 8.2901 124.4857 51.6321 19.5710 178.9300 125 G 4.2155 7.4755 120.5116 43.6560 0.0000 174.0107 126 P 4.2637 0.0000 0.0000 63.0118 30.8908 172.3737 127 D 4.5345 8.8531 121.3166 55.1683 37.8115 174.4905 128 H 4.0933 8.0411 122.0472 51.8033 27.3603 169.1556 129 P 3.9380 0.0000 0.0000 63.8971 30.6448 173.5043 130 H 4.1947 7.1974 124.3625 55.4121 30.0957 175.1534 131 Q 4.1583 7.9388 128.0215 54.4686 28.9333 174.6898 132 A 4.2643 8.6565 125.8061 50.9937 20.4741 174.4933 133 Q 5.2016 7.5129 113.9132 53.3006 30.4457 173.0507 134 R 5.1941 7.3928 119.6734 55.9388 30.0082 173.7542 135 P 4.5971 0.0000 0.0000 65.2324 29.7812 176.2228 136 E 3.8169 6.9157 117.1682 54.9527 31.2914 176.1134 137 K 4.8900 8.9043 126.5077 55.1662 35.5194 175.9675 138 L 4.5414 8.0254 116.6797 54.8088 42.7633 176.6207 *139 E 4.1515 7.9426 117.6316 56.0802 30.3597 177.3315 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 1 M 8.30 4.33 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 K 8.60 3.99 0.00 1.84 1.48 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.54 7.81 3 T 8.26 3.98 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 1.17 0.00 0.00 4 Y 8.41 4.62 0.00 2.92 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 5 V 7.02 3.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.65 0.00 2.23 2.05 0.00 3.81 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 1.95 2.12 0.00 7 K 8.34 4.29 0.00 1.78 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.46 7.81 8 Q 8.36 3.97 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 9 V 7.80 3.72 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 0.79 0.00 0.00 1.03 0.00 0.00 10 E 8.37 4.50 0.00 1.97 1.87 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 2.25 2.39 0.00 11 P 0.00 4.45 0.00 2.01 2.37 0.00 3.87 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 2.03 2.00 0.00 12 R 8.39 4.36 0.00 2.01 1.94 0.00 3.24 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 13 W 9.19 4.89 0.00 3.19 3.29 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 14 V 8.54 4.63 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 0.95 0.00 0.00 1.01 0.00 0.00 15 L 8.37 5.31 0.00 1.71 1.45 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.51 4.58 1.89 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 1.13 0.94 1.00 0.00 0.00 17 D 8.69 4.78 0.00 2.88 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 18 A 8.09 4.56 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 19 E 8.25 3.89 0.00 2.26 2.41 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 2.32 2.32 0.00 20 G 7.81 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 K 8.01 4.58 0.00 1.94 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.53 7.81 22 T 8.77 5.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 L 8.42 3.99 0.00 1.67 1.74 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.27 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.20 4.06 0.00 1.97 2.00 0.00 3.29 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 26 L 7.77 4.58 0.00 1.88 1.89 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 4.19 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 28 T 7.58 3.82 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 K 7.79 4.01 0.00 1.94 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.51 7.81 30 I 7.67 3.62 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 1.44 0.96 0.88 0.00 0.00 31 A 7.55 3.95 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 32 T 7.44 3.74 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 1.09 0.00 0.00 33 L 7.89 3.92 0.00 1.86 1.64 0.81 0.34 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 34 L 8.24 3.99 0.00 1.77 1.70 0.80 0.87 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 35 R 7.46 4.97 0.00 1.66 2.30 0.00 3.22 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 36 G 6.80 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.13 0.00 1.64 1.50 0.00 1.08 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.68 0.21 7.81 38 H 8.38 4.57 0.00 3.30 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.51 4.49 0.00 2.35 2.02 0.00 2.92 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.52 0.00 40 P 0.00 4.33 0.00 2.21 2.22 0.00 3.75 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 2.01 2.02 0.00 41 D 8.46 4.75 0.00 2.64 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 42 W 8.17 4.39 0.00 3.32 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 43 T 6.85 3.94 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 1.06 0.00 0.00 44 P 0.00 3.85 0.00 2.12 2.28 0.00 3.34 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 45 N 7.09 4.66 0.00 2.75 2.80 0.00 0.00 5.88 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 46 V 7.26 3.78 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 0.39 0.00 0.00 0.87 0.00 0.00 47 A 7.98 4.28 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 48 M 7.76 4.60 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 49 G 7.79 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 0.00 0.00 0.00 0.00 50 D 8.27 5.00 0.00 2.55 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 51 F 9.01 3.63 0.00 1.51 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 0.00 0.00 0.00 52 V 8.06 4.51 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 0.95 0.00 0.00 1.00 0.00 0.00 53 V 8.94 4.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.35 0.00 0.00 54 V 9.08 5.70 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 1.04 0.00 0.00 0.95 0.00 0.00 55 V 8.30 4.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.98 0.00 0.00 56 N 8.63 4.15 0.00 2.81 3.30 0.00 0.00 6.90 7.96 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 57 A 8.49 4.36 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 58 D 9.59 3.91 0.00 2.92 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 59 K 8.75 4.66 0.00 1.93 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 I 8.50 4.47 1.90 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 1.26 0.32 1.03 0.00 0.00 61 R 8.90 4.70 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 62 V 7.77 4.55 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 0.77 0.00 0.00 0.95 0.00 0.00 63 T 7.65 3.81 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 64 G 8.28 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 65 K 8.79 3.92 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 K 8.39 4.61 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 67 L 7.99 4.62 0.00 1.59 1.57 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.30 4.26 0.00 2.06 2.38 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 2.17 2.29 0.00 69 Q 7.89 4.16 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 70 K 7.81 4.23 0.00 1.86 1.83 0.00 1.42 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.48 1.28 7.81 71 I 8.11 4.98 1.82 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 0.93 0.96 0.00 0.00 72 Y 9.36 4.49 0.00 3.10 2.82 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 73 T 8.22 5.26 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 1.26 0.00 0.00 74 R 8.34 4.43 0.00 1.95 1.77 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 75 Y 8.75 5.21 0.00 2.97 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 76 S 8.46 4.14 0.00 3.87 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 77 G 8.86 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 0.00 0.00 0.00 0.00 78 Y 8.15 4.23 0.00 3.02 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 79 P 0.00 4.55 0.00 2.11 2.05 0.00 3.96 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 2.07 2.12 0.00 80 G 9.25 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 81 G 7.95 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 82 L 7.87 4.82 0.00 1.86 1.67 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.26 4.68 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 84 K 8.74 5.02 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.46 7.81 85 I 8.67 4.69 1.96 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 1.31 1.09 0.94 0.00 0.00 86 P 0.00 5.28 0.00 2.26 2.23 0.00 3.90 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 2.10 1.97 0.00 87 L 8.79 4.08 0.00 1.90 1.82 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.04 3.90 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 89 K 8.05 3.99 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.48 7.81 90 M 7.47 4.03 0.00 1.76 2.17 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.56 0.00 91 L 8.10 4.09 0.00 1.59 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.79 4.21 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 93 T 7.60 4.27 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 1.19 0.00 0.00 94 H 9.14 4.86 0.00 3.36 3.32 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.58 0.00 2.18 2.34 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 96 E 8.00 4.34 0.00 2.24 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 2.21 2.43 0.00 97 R 7.92 3.94 0.00 1.79 2.06 0.00 3.12 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 98 V 7.77 3.56 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 0.88 0.00 0.00 0.88 0.00 0.00 99 L 7.56 4.40 0.00 1.74 1.81 0.95 1.03 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 0.00 100 E 8.73 4.12 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 101 H 8.78 4.21 0.00 3.52 3.60 0.00 5.61 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 0.00 102 A 8.07 4.25 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 0.00 103 V 7.67 4.22 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 1.04 0.00 0.00 1.00 0.00 0.00 104 K 9.54 4.10 0.00 1.02 1.64 0.00 1.27 0.00 0.00 1.35 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.03 7.81 105 G 7.83 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 0.00 106 M 8.47 4.45 0.00 1.96 2.10 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 2.59 2.50 0.00 107 L 7.36 4.68 0.00 1.72 1.61 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.38 0.00 2.25 2.26 0.00 3.72 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 2.10 0.00 109 K 8.56 3.95 0.00 1.75 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 110 G 8.01 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 0.00 111 P 0.00 4.38 0.00 2.17 2.13 0.00 3.62 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 2.12 2.15 0.00 112 L 8.20 4.07 0.00 1.75 1.60 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.75 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 0.00 114 R 7.41 4.28 0.00 2.07 2.13 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 115 R 8.24 3.93 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 116 L 8.37 3.96 0.00 1.73 1.70 1.00 0.82 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 0.00 117 F 7.90 4.42 0.00 2.98 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 0.00 118 K 7.94 4.00 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 R 7.75 3.23 0.00 1.53 1.26 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.13 0.00 120 L 6.62 3.92 0.00 1.47 1.26 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.06 4.37 0.00 2.10 1.85 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.52 1.41 7.81 122 V 8.09 5.03 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 0.92 0.00 0.00 0.90 0.00 0.00 123 Y 9.12 4.87 0.00 2.94 2.82 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 0.00 124 A 8.29 4.90 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 0.00 125 G 7.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.26 0.00 2.20 2.15 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 127 D 8.85 4.53 0.00 2.79 2.90 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 0.00 128 H 8.04 4.09 0.00 3.05 3.26 0.00 5.50 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.94 0.00 2.16 2.14 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 130 H 7.20 4.19 0.00 3.42 3.51 0.00 5.53 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.94 4.16 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 132 A 8.66 4.26 0.56 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 0.00 0.00 0.00 133 Q 7.51 5.20 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.54 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 134 R 7.39 5.19 0.00 1.97 1.96 0.00 3.11 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 1.35 1.43 0.00 135 P 0.00 4.60 0.00 2.12 2.11 0.00 3.93 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 2.10 2.11 0.00 136 E 6.92 3.82 0.00 1.95 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 2.30 2.40 0.00 137 K 8.90 4.89 0.00 1.72 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.54 7.81 138 L 8.03 4.54 0.00 1.58 1.56 0.93 0.81 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 *139 E 7.94 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.