NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4532 8.3049 120.3492 55.5169 35.0564 176.8752 2 N 4.1652 8.0988 116.4148 53.8224 38.3448 172.2156 3 R 4.2651 8.6906 127.4175 56.0053 31.2489 176.8938 4 G 3.8261 8.6994 107.5420 46.2886 0.0000 170.9324 5 A 4.5064 7.9018 122.1141 54.1338 20.3416 179.0091 6 L 3.9710 7.8684 116.4437 58.0131 41.5103 179.5558 7 I 3.9322 7.7696 117.7978 63.0782 37.2064 177.6010 8 K 5.1225 8.9813 121.8545 58.2679 32.6343 178.6632 9 L 3.9712 7.9640 118.6507 57.8197 41.1915 179.7144 10 V 3.5604 7.1475 116.4880 66.0548 31.6608 177.2292 11 E 4.1772 8.5470 118.9341 58.8885 29.5054 178.7679 12 S 3.7618 7.7569 115.8332 58.5555 62.2423 175.9553 13 R 4.2551 8.3427 117.1188 57.2609 28.9735 176.0040 14 Y 4.6125 8.4438 112.1135 56.9615 38.6848 175.9302 15 V 4.4903 7.5287 119.3204 61.0212 33.6335 176.7054 16 R 4.6287 8.3220 128.8459 56.1813 28.8915 178.7063 17 T 4.9443 7.3722 128.1399 64.7341 67.5048 172.5884 18 D 4.7614 7.7946 119.2213 53.2942 39.4855 175.1986 19 L 4.8091 7.4874 119.0008 52.5284 43.7346 174.7473 20 P 4.4148 0.0000 0.0000 62.8231 32.3838 175.4432 21 E 4.6401 8.7692 123.8991 55.0170 30.4085 174.9394 22 F 4.9818 8.3310 122.1440 55.1596 41.0576 174.6723 23 R 3.8914 8.7023 111.8796 57.2628 31.1059 173.6057 24 P 5.1122 0.0000 0.0000 62.6301 30.3705 175.7597 25 G 4.1907 7.5569 112.4067 45.3730 0.0000 176.3129 26 D 5.0957 8.2189 115.3683 52.2325 39.8379 173.8974 27 T 3.6632 7.9721 116.6377 62.5514 69.3068 176.7089 28 V 3.7624 8.7856 116.9636 62.7122 31.9024 169.0427 29 R 4.9006 8.9692 131.4017 56.2850 33.6947 174.0954 30 V 4.3599 6.8584 113.0778 61.0760 34.7967 173.9612 31 S 4.8325 8.8629 113.9624 57.3449 62.6512 173.5316 32 Y 4.2481 9.8549 121.1084 58.2131 45.5219 173.0286 33 K 4.2020 8.1382 112.4200 57.6868 28.4319 172.8072 34 V 3.9282 8.0287 126.0258 62.1501 31.9336 175.3579 35 K 4.1649 8.5540 123.4336 57.3332 35.3361 175.1025 36 E 3.7434 9.7935 116.9258 56.5474 28.2172 172.9490 37 G 4.2863 8.1536 105.6374 45.7192 0.0000 174.3502 38 N 4.7795 7.8909 117.5587 51.8256 37.9901 176.5701 39 R 3.0073 8.6391 119.7571 57.0392 31.7225 178.2878 40 T 3.2777 7.5864 108.5475 60.1199 70.7809 173.0592 41 R 4.1517 8.2918 121.0301 57.1374 34.6463 175.5491 42 I 3.2414 7.4401 105.7691 62.3630 35.8762 173.1870 43 Q 4.2823 7.6767 131.8280 56.9545 30.8883 173.9594 44 D 5.2397 8.6433 124.5053 52.8711 42.7894 175.4920 45 F 4.7598 8.7680 124.5524 56.2699 42.7228 173.3041 46 E 4.5558 7.5038 125.8109 55.1463 31.9193 174.0760 47 G 4.6472 8.0508 112.6683 46.5641 0.0000 171.6520 48 I 4.2331 8.1309 120.5300 60.9731 38.7972 176.5904 49 V 4.5968 8.4367 126.1814 61.1621 31.2159 176.5101 50 I 3.8192 9.1865 128.9271 63.7893 39.2761 175.5604 51 R 4.3798 7.3479 118.9514 55.4313 34.1493 173.4715 52 I 4.9872 8.5561 126.1927 59.6532 39.8293 174.6582 53 R 4.5234 8.6020 128.1750 54.7930 31.4849 175.4619 54 R 4.7231 8.3233 125.4036 55.3076 32.4064 176.0481 55 N 4.6188 8.7218 113.5221 54.2684 41.3562 175.1869 56 G 3.7586 7.8119 116.3706 46.3812 0.0000 174.3934 57 F 4.5088 8.8215 128.1367 57.7778 39.7970 173.3137 58 N 3.8804 6.7901 117.3344 53.4176 35.7671 174.4132 59 T 4.2834 7.0008 107.5482 62.3417 70.5689 172.5633 60 T 5.0683 8.9287 112.0657 60.9214 72.9979 172.3097 61 F 5.4743 8.0530 113.1316 56.4697 41.3580 173.2707 62 T 5.6598 9.3220 111.8775 59.1808 72.2092 172.8314 63 V 5.1324 8.4399 122.4303 61.5579 34.5603 174.5284 64 R 5.6834 9.4733 128.6150 54.9640 32.5359 175.0199 65 K 4.3531 8.1068 117.6751 56.2893 35.4713 174.4101 66 V 4.2617 8.5848 125.4974 61.8365 31.0014 174.0711 67 S 4.2227 8.8591 121.5809 57.4286 63.9318 174.9243 68 Y 3.4335 8.4212 128.2068 59.2489 36.7001 171.9518 69 G 3.7867 9.6654 112.4028 48.7554 0.0000 174.9462 70 V 3.9357 7.6611 120.2779 62.1443 33.1408 174.6073 71 G 4.4508 8.5077 111.5392 45.0191 0.0000 173.2726 72 V 4.8106 8.9341 122.8130 60.9510 35.6363 174.0513 73 E 5.8004 8.6883 124.0083 53.8210 32.8559 175.1514 74 R 4.3466 8.5240 122.5084 54.2222 33.9189 175.1813 75 I 4.3350 7.2663 120.4611 59.7391 40.0755 174.6949 76 F 4.6751 7.7939 126.1276 54.9384 40.6623 175.8429 77 P 4.0864 0.0000 0.0000 63.6092 31.4728 177.1430 78 L 4.2285 9.0797 118.0476 55.4792 40.3042 173.1564 79 H 4.9423 8.0731 112.6677 55.8433 34.0194 171.4293 80 S 4.4222 8.8676 118.0123 56.6404 59.9602 167.1553 81 P 4.4001 0.0000 0.0000 61.0411 30.2136 172.8166 82 L 6.0690 8.8265 123.2234 54.8867 42.7003 174.3961 83 I 3.8818 8.7162 119.3983 63.6119 37.2447 175.8597 84 Q 4.6040 7.5846 115.3559 54.4230 31.6070 175.1082 85 K 4.3749 8.0483 118.4005 54.9670 32.6717 173.6126 86 I 4.3509 7.6648 122.2978 58.5500 39.9933 174.1814 87 D 5.1605 8.1404 125.3787 51.0358 42.1667 176.7267 88 I 4.3333 8.0294 127.0211 61.6184 37.0044 179.6922 89 V 3.9868 8.7275 135.0000 62.0752 32.0599 173.4873 90 Q 4.3286 8.6936 127.6973 56.4486 27.9448 175.7617 91 R 4.6802 7.8999 124.9317 55.5725 33.4512 174.8416 92 G 4.2019 9.0345 107.5949 45.2537 0.0000 174.7992 93 R 4.0120 8.1525 122.1540 55.5097 30.0169 175.1092 94 A 3.5568 7.8033 117.3144 53.1934 16.5367 176.2793 95 R 4.4303 8.5565 119.8104 56.5642 30.6847 176.6481 96 R 4.6593 7.3803 113.0988 54.3316 32.4975 175.0773 97 A 3.9971 8.7393 122.8697 54.4217 18.6442 177.9585 98 K 4.1803 7.9077 115.7464 54.7092 33.5014 176.9652 99 L 5.1750 7.5602 127.8465 55.1659 40.3692 177.8623 100 Y 3.9249 7.3998 117.2646 61.3339 38.5738 178.6163 101 F 4.3211 7.9254 112.5780 58.1284 37.5967 175.5817 102 I 3.8897 7.5396 113.5537 60.9644 37.9074 177.0511 103 R 4.0616 7.9070 120.5170 59.7154 30.4580 177.2311 104 N 4.3687 8.3485 113.5753 56.0240 38.4567 175.6297 105 L 4.5851 7.6040 118.9270 52.9436 43.3007 175.1526 106 S 4.9649 9.3456 117.2341 55.4248 66.7585 174.9750 107 D 5.0566 7.5935 122.9873 54.4055 37.8170 177.2994 108 R 4.4400 8.5970 116.6704 56.3043 30.2744 176.0249 109 E 4.4186 7.6519 118.1632 58.4600 30.2996 178.2781 110 I 3.7392 7.6347 119.2803 64.4600 36.9390 178.4343 111 R 3.9961 7.9357 117.5738 59.5869 29.9494 178.5953 112 R 4.0127 7.8653 116.5834 59.3264 30.2077 178.6234 113 K 4.1801 8.1203 118.3299 58.3780 33.6066 178.1894 114 L 4.6654 8.0894 120.7080 52.4880 41.6361 176.8858 115 R 3.9982 7.7338 119.0091 57.1305 29.6061 180.1691 116 A 4.4082 8.6903 124.3971 51.9008 18.7328 176.0162 117 D 4.5019 8.0336 120.7586 55.3500 42.0691 177.1443 118 R 4.4519 8.4078 121.6670 57.5680 32.8447 177.8311 119 K 3.9271 8.1446 118.0824 59.9134 31.8179 178.2279 120 R 4.2461 10.5563 115.9751 58.6352 30.0201 178.4364 121 I 4.4050 7.2274 119.3943 63.5431 37.9097 177.8163 122 D 4.3746 10.5844 119.9383 57.2636 40.5945 178.4193 123 Q 4.1515 7.6442 115.6535 58.3031 28.8092 177.5724 124 D 4.5178 7.6999 120.8901 57.1090 40.9095 178.7848 125 R 3.9049 8.1095 118.6587 59.1501 29.9793 178.7206 126 A 4.1457 7.9384 117.7555 53.9844 18.7310 178.2734 127 A 4.3550 7.6349 118.2947 52.3789 18.0339 178.1754 128 E 4.2786 8.0188 115.2422 57.3310 29.5812 178.6206 129 R 4.1579 7.4756 120.6705 57.4098 27.1935 175.9409 130 A 4.2659 7.8477 119.4428 51.3373 19.7819 176.3734 131 A 3.9307 7.5976 120.3166 52.1664 17.5735 177.8007 132 K 4.1907 8.0974 122.3891 55.4268 30.7389 175.0045 133 E 4.0003 8.1307 120.1173 56.1765 28.9103 175.4685 134 E 4.3606 8.0669 125.8022 55.3027 32.8175 174.6094 135 A 3.6009 8.6477 129.6373 51.2973 15.0314 174.4711 136 Q 4.4157 6.9968 130.5059 55.4461 33.5775 174.6047 137 K 4.2489 7.7461 123.2069 54.0669 33.2939 176.2901 *138 A 4.1104 8.3063 124.9545 52.1743 18.7921 176.6076 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 4.45 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.10 4.17 0.00 2.88 2.61 0.00 0.00 6.91 6.78 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 3 R 8.69 4.27 0.00 1.89 1.92 0.00 3.31 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 4 G 8.70 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.90 4.51 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 6 L 7.87 3.97 0.00 1.70 1.75 0.93 0.81 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 7 I 7.77 3.93 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 1.94 0.67 0.91 0.00 0.00 8 K 8.98 5.12 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.49 7.81 9 L 7.96 3.97 0.00 1.69 1.78 0.94 0.86 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 10 V 7.15 3.56 2.23 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 0.76 0.00 0.00 0.99 0.00 0.00 11 E 8.55 4.18 0.00 2.04 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 2.32 2.34 0.00 12 S 7.76 3.76 0.00 3.92 3.36 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 13 R 8.34 4.26 0.00 1.75 1.70 0.00 3.21 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 14 Y 8.44 4.61 0.00 2.47 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 15 V 7.53 4.49 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 0.76 0.00 0.00 1.07 0.00 0.00 16 R 8.32 4.63 0.00 1.77 1.63 0.00 3.97 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 17 T 7.37 4.94 4.26 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 1.23 0.00 0.00 18 D 7.79 4.76 0.00 2.83 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 19 L 7.49 4.81 0.00 1.58 1.63 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.41 0.00 1.89 1.98 0.00 3.64 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 21 E 8.77 4.64 0.00 1.99 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 2.16 2.20 0.00 22 F 8.33 4.98 0.00 3.10 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 23 R 8.70 3.89 0.00 1.86 1.91 0.00 2.95 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 24 P 0.00 5.11 0.00 2.14 2.42 0.00 3.63 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 25 G 7.56 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.22 5.10 0.00 2.66 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 27 T 7.97 3.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 V 8.79 3.76 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 0.96 0.00 0.00 29 R 8.97 4.90 0.00 1.77 1.83 0.00 3.43 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 0.00 30 V 6.86 4.36 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 0.79 0.00 0.00 1.01 0.00 0.00 31 S 8.86 4.83 0.00 4.17 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 32 Y 9.85 4.25 0.00 2.99 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 33 K 8.14 4.20 0.00 1.94 2.13 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 34 V 8.03 3.93 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 0.87 0.00 0.00 1.12 0.00 0.00 35 K 8.55 4.16 0.00 1.99 1.90 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.31 7.81 36 E 9.79 3.74 0.00 2.13 2.22 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 2.17 2.29 0.00 37 G 8.15 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 0.00 0.00 0.00 0.00 38 N 7.89 4.78 0.00 2.83 2.86 0.00 0.00 6.09 7.66 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 39 R 8.64 3.01 0.00 1.95 1.74 0.00 3.20 0.00 0.00 3.48 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 40 T 7.59 3.28 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 1.01 0.00 0.00 41 R 8.29 4.15 0.00 2.03 1.91 0.00 3.46 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 42 I 7.44 3.24 1.87 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 1.26 0.45 0.87 0.00 0.00 43 Q 7.68 4.28 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 44 D 8.64 5.24 0.00 2.59 2.57 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 45 F 8.77 4.76 0.00 3.36 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 46 E 7.50 4.56 0.00 1.82 1.55 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 2.04 2.18 0.00 47 G 8.05 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 48 I 8.13 4.23 1.89 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 1.39 0.37 0.97 0.00 0.00 49 V 8.44 4.60 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 0.87 0.00 0.00 1.17 0.00 0.00 50 I 9.19 3.82 1.95 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 1.15 1.29 0.96 0.00 0.00 51 R 7.35 4.38 0.00 1.65 1.63 0.00 3.34 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 52 I 8.56 4.99 1.80 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.93 0.00 0.00 53 R 8.60 4.52 0.00 1.89 1.83 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 54 R 8.32 4.72 0.00 1.83 1.83 0.00 3.27 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 55 N 8.72 4.62 0.00 2.58 2.63 0.00 0.00 7.10 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.81 3.76 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 0.00 0.00 0.00 57 F 8.82 4.51 0.00 2.98 2.96 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 58 N 6.79 3.88 0.00 2.45 1.63 0.00 0.00 6.04 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 59 T 7.00 4.28 4.43 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 0.00 0.00 1.32 0.00 0.00 60 T 8.93 5.07 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 1.14 0.00 0.00 61 F 8.05 5.47 0.00 3.28 3.25 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 62 T 9.32 5.66 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 1.26 0.00 0.00 63 V 8.44 5.13 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 1.32 0.00 0.00 1.52 0.00 0.00 64 R 9.47 5.68 0.00 1.99 1.81 0.00 3.39 0.00 0.00 3.32 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 65 K 8.11 4.35 0.00 1.83 1.75 0.00 1.20 0.00 0.00 1.49 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.97 1.34 7.81 66 V 8.58 4.26 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 0.74 0.00 0.00 0.92 0.00 0.00 67 S 8.86 4.22 0.00 3.87 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 68 Y 8.42 3.43 0.00 3.23 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.66 3.94 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 0.98 0.00 0.00 0.98 0.00 0.00 71 G 8.51 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 0.00 0.00 0.00 0.00 72 V 8.93 4.81 2.39 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 1.28 0.00 0.00 1.03 0.00 0.00 73 E 8.69 5.80 0.00 1.84 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 2.28 2.20 0.00 74 R 8.52 4.35 0.00 0.70 0.66 0.00 2.75 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 75 I 7.27 4.34 1.61 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 1.22 0.41 0.74 0.00 0.00 76 F 7.79 4.68 0.00 1.61 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 P 0.00 4.09 0.00 2.06 2.02 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 78 L 9.08 4.23 0.00 2.18 2.14 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.07 4.94 0.00 3.30 3.53 0.00 5.95 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.87 4.42 0.00 4.06 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 81 P 0.00 4.40 0.00 2.15 1.70 0.00 3.69 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 1.89 1.41 0.00 82 L 8.83 6.07 0.00 1.84 1.93 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.72 3.88 1.88 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 1.48 0.60 0.91 0.00 0.00 84 Q 7.58 4.60 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.19 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 85 K 8.05 4.37 0.00 1.61 1.58 0.00 0.86 0.00 0.00 1.10 0.00 0.00 2.26 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.09 1.17 7.81 86 I 7.66 4.35 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.92 0.00 0.00 87 D 8.14 5.16 0.00 2.58 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 88 I 8.03 4.33 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.88 0.00 0.00 89 V 8.73 3.99 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 0.98 0.00 0.00 0.91 0.00 0.00 90 Q 8.69 4.33 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.47 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 91 R 7.90 4.68 0.00 1.81 1.82 0.00 3.16 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 92 G 9.03 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 93 R 8.15 4.01 0.00 1.97 2.09 0.00 3.40 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 94 A 7.80 3.56 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 95 R 8.56 4.43 0.00 1.78 1.94 0.00 3.34 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 96 R 7.38 4.66 0.00 1.85 1.80 0.00 2.49 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 97 A 8.74 4.00 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 98 K 7.91 4.18 0.00 1.71 1.35 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.16 7.81 99 L 7.56 5.17 0.00 1.98 2.16 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.40 3.92 0.00 3.15 3.06 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 0.00 0.00 0.00 0.00 101 F 7.93 4.32 0.00 3.07 3.27 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 0.00 102 I 7.54 3.89 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.05 0.00 0.00 103 R 7.91 4.06 0.00 1.85 2.04 0.00 3.29 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 104 N 8.35 4.37 0.00 2.76 2.97 0.00 0.00 6.65 7.85 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 0.00 105 L 7.60 4.59 0.00 1.61 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.35 4.96 0.00 3.91 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 0.00 107 D 7.59 5.06 0.00 2.92 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 0.00 0.00 0.00 108 R 8.60 4.44 0.00 1.78 1.95 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 109 E 7.65 4.42 0.00 2.38 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 0.00 2.29 2.34 0.00 110 I 7.63 3.74 1.85 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 1.56 0.71 0.87 0.00 0.00 111 R 7.94 4.00 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 112 R 7.87 4.01 0.00 2.03 1.97 0.00 3.23 0.00 0.00 3.25 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 113 K 8.12 4.18 0.00 1.88 2.07 0.00 1.91 0.00 0.00 1.99 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.73 7.81 114 L 8.09 4.67 0.00 1.70 1.64 0.90 0.97 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 0.00 115 R 7.73 4.00 0.00 1.81 1.22 0.00 3.43 0.00 0.00 3.24 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 116 A 8.69 4.41 1.20 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 0.00 117 D 8.03 4.50 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.41 4.45 0.00 1.86 2.21 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 119 K 8.14 3.93 0.00 1.81 1.96 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.58 7.81 120 R 10.56 4.25 0.00 1.94 1.97 0.00 3.22 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 121 I 7.23 4.41 2.09 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 1.76 2.76 0.91 0.00 0.00 122 D 10.58 4.37 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.64 4.15 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 124 D 7.70 4.52 0.00 2.93 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 0.00 125 R 8.11 3.90 0.00 2.01 1.97 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 126 A 7.94 4.15 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 0.00 127 A 7.63 4.36 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 0.00 128 E 8.02 4.28 0.00 2.04 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 0.00 2.26 2.42 0.00 129 R 7.48 4.16 0.00 1.79 1.92 0.00 3.38 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 130 A 7.85 4.27 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 0.00 131 A 7.60 3.93 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 0.00 132 K 8.10 4.19 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.64 7.81 133 E 8.13 4.00 0.00 1.90 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 2.29 2.36 0.00 134 E 8.07 4.36 0.00 1.88 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 2.18 2.35 0.00 135 A 8.65 3.60 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 0.00 136 Q 7.00 4.42 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.02 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 137 K 7.75 4.25 0.00 1.72 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 *138 A 8.31 4.11 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.