NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.6433 8.3448 115.7142 55.5265 29.2875 172.9936 *2 Q 4.4830 8.4770 116.8975 56.1136 29.6281 174.6474 3 T 4.7705 8.6360 117.8882 62.0790 73.2666 172.8464 4 Q 4.9440 8.6812 122.9390 54.2663 32.0796 175.0841 5 I 4.4721 8.5430 122.6753 59.3926 41.4579 174.1036 6 K 4.6366 8.4796 128.1207 55.2510 33.3434 175.9909 7 V 3.8948 8.6782 128.5498 62.9062 32.8068 175.3151 8 R 4.7489 8.5040 125.9218 53.8281 33.3738 177.1284 9 G 3.6712 8.6613 108.6412 49.0226 0.0000 175.1038 10 Y 4.3358 7.6004 115.6392 58.6491 38.6592 176.1108 11 H 4.4178 7.5585 118.0600 57.5978 29.2349 175.6048 12 L 4.7668 7.2518 119.2697 53.9381 42.1497 174.9856 13 D 5.1266 8.2907 119.3334 51.1377 42.1156 176.4684 14 V 3.4920 8.4645 117.4269 65.2890 29.5400 176.3728 15 Y 4.2061 8.3528 116.2852 57.5623 37.8506 175.8325 16 Q 3.6300 8.6283 117.9919 57.1612 27.0050 172.7548 17 H 5.3395 7.4763 111.3991 53.4897 33.2697 173.3058 18 V 4.0030 8.3812 120.9657 63.0652 31.9825 175.5656 19 N 4.6653 8.6279 126.4817 53.2110 39.9455 175.2972 20 N 4.2810 9.1103 122.4374 56.6008 39.1559 177.3316 21 A 4.1719 8.2662 120.5912 54.9741 18.9092 179.5565 22 R 3.6985 7.8472 115.4067 59.6496 29.8281 178.3143 23 Y 3.8343 7.4508 115.4159 60.9052 37.7537 178.6052 24 L 4.0881 8.0623 119.8903 57.6089 41.5966 179.3812 25 E 4.0564 7.9262 118.3944 59.3041 29.4937 179.0157 26 F 4.5556 8.0283 117.9100 60.7773 39.1417 177.7449 27 L 4.0817 8.4075 118.7363 57.7557 41.3484 179.2000 28 E 3.9705 8.5582 119.4452 59.1842 29.5328 178.2245 29 E 4.1120 8.8321 119.6457 59.6274 29.6669 178.7898 30 A 4.1161 8.0374 121.8466 54.6495 18.2035 179.9043 31 R 3.7855 7.8671 116.3360 59.0525 30.1502 179.2214 32 W 3.9534 8.3920 119.0219 59.5691 28.8095 177.9063 33 D 4.6324 8.3766 117.4388 57.5228 40.8344 178.3762 34 G 3.7431 7.9540 103.2489 46.2249 0.0000 174.4559 35 L 5.0563 7.5929 121.6861 54.4997 42.6834 178.2030 36 E 3.9415 7.9667 117.4085 59.5757 29.3800 178.0978 37 N 4.4140 8.0634 115.6564 55.3029 39.4172 173.5422 38 S 4.1607 7.6596 115.6577 58.3695 62.4933 174.7144 39 D 4.5341 8.6574 125.3733 56.6002 41.5881 178.1039 40 S 4.5901 8.1575 114.8577 61.0825 62.9045 175.7609 41 F 4.0955 8.0606 122.5699 61.3740 39.0783 176.6822 42 Q 4.2559 8.2501 118.1798 58.3826 28.9406 177.2990 43 W 4.5702 8.1695 130.9500 57.5885 30.1411 177.5504 *45 T 4.0954 8.0055 114.4196 62.8991 70.0680 176.3844 46 A 3.9205 7.3970 122.9519 55.3428 18.1463 177.9159 47 H 4.3126 8.0259 110.6295 55.4991 28.8466 175.6508 48 N 4.5764 8.2322 116.8555 54.1483 37.8424 174.1350 49 I 4.3511 7.0687 115.8736 60.9048 38.1881 175.2719 50 A 4.4620 8.0490 124.6206 50.6311 22.9273 175.5017 51 F 5.1137 8.5799 120.1721 57.1124 40.3029 175.3960 52 V 4.4864 8.9007 122.8406 61.0384 34.5659 174.3576 53 V 4.4101 8.6513 128.2159 62.9199 31.5319 175.7215 54 V 4.3642 8.8700 121.0873 62.0543 33.6322 175.7219 55 N 5.0037 7.8524 117.7364 52.3048 42.4828 173.1078 56 I 4.9645 8.3695 125.3618 59.5303 40.8003 174.2333 57 N 4.8351 9.0972 125.7450 51.8625 41.1413 172.4725 58 I 4.7941 8.2356 126.1928 59.0586 40.8562 173.9807 59 N 4.7541 8.7739 126.8873 51.8963 40.5820 173.3768 60 Y 4.2981 8.5011 121.7693 57.9693 39.1924 174.3141 61 R 4.2217 8.9714 123.9062 56.3348 31.1611 178.9912 62 R 4.0956 5.8400 129.5187 56.1496 31.6414 173.5133 63 P 4.7100 0.0000 0.0000 62.5860 32.2189 175.9592 64 A 4.5722 9.2017 126.5269 51.7047 20.2101 177.0477 65 V 4.6426 9.3484 114.3822 58.4352 35.1936 174.8651 66 L 4.0495 8.3137 121.8407 57.5035 41.7785 177.3263 67 S 4.2496 9.0088 121.2688 58.3368 61.7435 169.4139 68 D 4.4795 7.9425 121.4322 54.3489 41.9910 175.1380 69 L 4.6821 8.5005 124.6060 53.6915 43.7633 174.7572 70 L 5.0898 8.8103 127.3563 53.5621 44.2240 175.7076 71 T 4.9265 8.9266 119.6255 61.8136 71.6355 173.1110 72 I 4.8114 9.1128 127.5086 59.9975 39.7148 174.5911 73 T 4.8166 8.9214 125.0394 61.8548 70.4852 173.9638 74 S 5.4537 8.4782 121.9982 56.9472 66.5340 173.4830 75 Q 4.6489 8.7280 119.3256 54.7666 32.1310 173.2703 76 L 4.2575 8.6360 124.8633 55.7166 42.1317 175.9072 77 Q 4.4479 9.5015 128.4017 57.8920 30.4141 175.3671 78 Q 4.5965 7.7062 115.1570 54.7544 33.6748 174.1590 79 L 4.5993 8.1606 119.9880 53.2964 42.6568 174.3195 80 N 4.8277 9.0486 119.4982 52.2894 42.3904 176.6372 81 G 3.9232 9.1145 110.1144 46.5014 0.0000 174.4432 82 K 4.8255 9.0457 113.7814 54.4099 34.0038 175.5571 83 S 4.5771 8.1805 112.4128 57.6780 66.8020 173.3124 84 G 4.0112 7.9204 107.2649 44.3437 0.0000 171.4761 85 I 5.0582 8.5911 120.0244 59.3153 40.7545 174.4935 86 L 5.0275 9.2217 130.5047 53.3509 44.2118 175.0802 87 S 5.1677 8.9704 121.4718 57.2067 65.5147 173.1331 88 Q 4.9296 9.0417 121.5875 54.2219 32.4812 174.1402 89 V 4.7516 8.9951 124.5244 61.0331 34.8135 174.0249 90 I 5.0770 9.1025 129.0241 59.8881 39.2603 174.8311 91 T 5.0741 8.9357 117.0902 59.6831 72.5455 172.4604 92 L 4.7625 8.6319 125.3110 54.1130 43.5640 175.6456 93 E 4.7432 8.9824 126.5746 55.4432 30.1761 174.9839 94 P 4.6380 0.0000 0.0000 63.3548 32.4331 176.5891 95 E 4.0052 8.0990 118.1046 57.7056 29.6435 177.4328 96 G 3.8765 8.4384 106.8334 45.6895 0.0000 173.5266 97 Q 4.1552 7.9071 118.0586 55.5240 30.1361 175.8151 98 V 3.9074 8.3656 123.2264 63.1663 32.3164 176.2567 99 V 4.0827 9.3999 127.9780 64.0910 33.1147 175.3114 100 A 4.9051 7.4894 118.8845 51.0739 22.5133 174.8484 101 D 5.0927 8.5427 118.7038 51.8693 43.0571 174.3339 102 A 5.1549 9.2917 123.0910 50.2198 23.6803 174.4023 103 L 5.0224 8.6049 118.6530 52.9917 45.0452 175.8088 104 I 4.8076 9.0279 125.2795 60.0185 39.4348 174.6662 105 T 5.0305 8.9972 125.4346 62.1265 70.3249 174.2078 106 F 5.5430 8.3448 120.1386 55.4720 42.3904 173.5380 107 V 4.8903 9.1514 111.2377 60.0025 36.6952 174.8185 108 C 5.1334 8.7518 119.3520 58.4284 30.1379 172.6169 109 I 4.9561 8.2498 124.6191 58.3281 40.5566 173.7466 110 D 4.9422 8.3475 128.0778 52.3627 42.7396 177.3330 111 L 4.6668 8.9709 122.2171 55.6872 41.9970 178.4743 112 K 4.0862 8.0455 118.4923 59.5878 32.7724 177.7758 113 T 4.2832 7.6493 110.8845 60.1684 69.2821 172.9482 114 Q 3.6050 8.7120 121.7732 57.0906 27.7332 172.6457 115 K 4.6865 7.5125 113.5888 53.9631 36.5126 175.7947 116 A 4.3624 8.5157 123.6798 52.3358 18.3455 177.3884 117 L 4.4682 9.0758 123.3040 53.6221 43.8915 176.8315 118 A 4.8704 8.2138 123.0243 51.7821 19.6612 178.3464 119 L 4.6914 8.0811 116.4655 53.0340 40.7028 175.1037 120 E 4.7719 7.4712 118.2791 56.9909 36.8569 180.5320 121 G 3.9300 8.4306 110.1218 45.9127 0.0000 173.9827 122 E 4.5322 9.1900 118.3969 56.0894 30.3466 176.7131 123 L 4.5561 7.7405 117.9770 56.4847 48.1791 178.4146 124 R 3.8253 7.5073 118.5240 59.5174 30.4769 178.0956 125 E 4.7488 8.6943 116.2849 58.7826 29.5728 179.1546 126 K 4.5751 7.6824 114.4446 57.9166 33.0107 177.2463 127 L 4.6750 8.3681 119.7922 56.1356 43.6399 177.7760 128 E 4.1373 8.0227 117.3530 59.4107 29.9535 178.0595 129 Q 4.4995 7.7826 116.3003 55.2466 28.1647 176.0281 *131 V 3.9880 7.4761 117.6730 60.5090 34.1430 176.1201 132 K 4.2120 7.6438 123.5077 56.7195 32.5383 175.1430 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 0 H 8.34 5.64 0.00 3.47 3.17 0.00 5.33 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 Q 8.48 4.48 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 3 T 8.64 4.77 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 1.20 0.00 0.00 4 Q 8.68 4.94 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 5 I 8.54 4.47 1.27 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.26 0.00 0.00 6 K 8.48 4.64 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.45 7.81 7 V 8.68 3.89 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 1.01 0.00 0.00 0.95 0.00 0.00 8 R 8.50 4.75 0.00 0.80 1.64 0.00 3.35 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 9 G 8.66 3.67 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 0.00 0.00 0.00 10 Y 7.60 4.34 0.00 3.05 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 11 H 7.56 4.42 0.00 3.30 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.25 4.77 0.00 1.61 1.62 0.93 1.02 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 13 D 8.29 5.13 0.00 2.91 2.80 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 14 V 8.46 3.49 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 0.11 0.00 0.00 0.69 0.00 0.00 15 Y 8.35 4.21 0.00 3.19 2.87 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 0.00 0.00 0.00 16 Q 8.63 3.63 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 17 H 7.48 5.34 0.00 3.08 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.38 4.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.97 0.00 0.00 19 N 8.63 4.67 0.00 2.82 2.60 0.00 0.00 7.06 6.65 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 20 N 9.11 4.28 0.00 2.68 2.68 0.00 0.00 6.95 7.54 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 21 A 8.27 4.17 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 22 R 7.85 3.70 0.00 1.73 1.63 0.00 3.08 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 23 Y 7.45 3.83 0.00 3.48 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.06 4.09 0.00 2.01 1.77 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.93 4.06 0.00 2.05 2.04 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 2.48 2.45 0.00 26 F 8.03 4.56 0.00 3.30 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.41 4.08 0.00 1.91 1.97 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.56 3.97 0.00 2.25 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 2.76 2.40 0.00 29 E 8.83 4.11 0.00 2.30 2.35 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 2.36 2.45 0.00 30 A 8.04 4.12 1.43 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 0.00 0.00 0.00 31 R 7.87 3.79 0.00 1.83 1.67 0.00 2.86 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 1.52 1.83 0.00 32 W 8.39 3.95 0.00 3.51 3.18 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 33 D 8.38 4.63 0.00 2.84 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 34 G 7.95 3.74 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 0.00 0.00 0.00 35 L 7.59 5.06 0.00 1.36 0.96 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.97 3.94 0.00 2.17 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 2.57 2.38 0.00 37 N 8.06 4.41 0.00 2.75 2.93 0.00 0.00 6.87 7.57 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 38 S 7.66 4.16 0.00 4.16 4.06 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 39 D 8.66 4.53 0.00 2.67 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 40 S 8.16 4.59 0.00 4.07 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 0.00 41 F 8.06 4.10 0.00 3.18 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 42 Q 8.25 4.26 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 43 W 8.17 4.57 0.00 3.39 3.39 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 *45 T 8.01 4.10 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 1.17 0.00 0.00 46 A 7.40 3.92 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 47 H 8.03 4.31 0.00 3.00 3.16 0.00 5.94 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.23 4.58 0.00 2.75 2.84 0.00 0.00 7.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.07 4.35 1.53 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.66 0.00 0.00 50 A 8.05 4.46 1.13 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 51 F 8.58 5.11 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.90 4.49 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 1.08 0.00 0.00 0.99 0.00 0.00 53 V 8.65 4.41 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 0.91 0.00 0.00 0.95 0.00 0.00 54 V 8.87 4.36 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 0.73 0.00 0.00 0.97 0.00 0.00 55 N 7.85 5.00 0.00 2.72 2.59 0.00 0.00 6.99 7.86 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 56 I 8.37 4.96 1.89 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 1.25 0.81 0.90 0.00 0.00 57 N 9.10 4.84 0.00 2.90 2.63 0.00 0.00 6.18 7.55 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 58 I 8.24 4.79 1.67 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.59 0.73 0.00 0.00 59 N 8.77 4.75 0.00 2.92 2.62 0.00 0.00 6.64 7.25 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 60 Y 8.50 4.30 0.00 2.74 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 61 R 8.97 4.22 0.00 1.86 1.48 0.00 3.12 0.00 0.00 3.12 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 62 R 5.84 4.10 0.00 1.85 1.93 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 63 P 0.00 4.71 0.00 1.67 1.87 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 64 A 9.20 4.57 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 65 V 9.35 4.64 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 0.79 0.00 0.00 1.04 0.00 0.00 66 L 8.31 4.05 0.00 1.58 1.62 0.90 0.94 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 67 S 9.01 4.25 0.00 4.07 4.09 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 68 D 7.94 4.48 0.00 2.72 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 69 L 8.50 4.68 0.00 1.73 1.52 0.87 0.60 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 70 L 8.81 5.09 0.00 1.52 1.52 0.95 0.42 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 71 T 8.93 4.93 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 72 I 9.11 4.81 1.87 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 1.28 0.74 0.93 0.00 0.00 73 T 8.92 4.82 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 0.89 0.00 0.00 74 S 8.48 5.45 0.00 3.68 3.69 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 75 Q 8.73 4.65 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 76 L 8.64 4.26 0.00 1.71 1.67 1.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.50 4.45 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 78 Q 7.71 4.60 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 79 L 8.16 4.60 0.00 1.47 1.55 0.99 1.08 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 80 N 9.05 4.83 0.00 2.70 2.67 0.00 0.00 7.06 7.73 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 81 G 9.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.05 4.83 0.00 1.67 1.76 0.00 1.71 0.00 0.00 1.01 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.50 7.81 83 S 8.18 4.58 0.00 3.77 3.82 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 84 G 7.92 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 0.00 0.00 0.00 0.00 85 I 8.59 5.06 1.83 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 1.02 0.90 0.89 0.00 0.00 86 L 9.22 5.03 0.00 1.86 1.57 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.97 5.17 0.00 3.90 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 88 Q 9.04 4.93 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 89 V 9.00 4.75 2.05 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 1.02 0.00 0.00 0.90 0.00 0.00 90 I 9.10 5.08 1.92 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 1.07 0.00 0.00 91 T 8.94 5.07 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 1.20 0.00 0.00 92 L 8.63 4.76 0.00 1.80 1.69 1.03 1.37 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 93 E 8.98 4.74 0.00 1.96 1.85 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 2.40 2.38 0.00 94 P 0.00 4.64 0.00 2.16 2.15 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 1.91 1.96 0.00 95 E 8.10 4.01 0.00 2.18 2.05 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 2.31 2.30 0.00 96 G 8.44 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 97 Q 7.91 4.16 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 98 V 8.37 3.91 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 0.90 0.00 0.00 0.92 0.00 0.00 99 V 9.40 4.08 2.28 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 1.44 0.00 0.00 1.01 0.00 0.00 100 A 7.49 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.54 5.09 0.00 2.63 2.65 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 0.00 102 A 9.29 5.15 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.60 5.02 0.00 1.56 1.53 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 104 I 9.03 4.81 1.92 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 1.29 0.64 0.96 0.00 0.00 105 T 9.00 5.03 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 1.17 0.00 0.00 106 F 8.34 5.54 0.00 3.28 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 0.00 107 V 9.15 4.89 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 0.86 0.00 0.00 1.00 0.00 0.00 108 C 8.75 5.13 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.25 4.96 1.88 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 1.22 2.42 0.96 0.00 0.00 110 D 8.35 4.94 0.00 2.61 2.49 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 0.00 111 L 8.97 4.67 0.00 1.61 1.71 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.05 4.09 0.00 1.83 1.90 0.00 1.49 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 113 T 7.65 4.28 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 114 Q 8.71 3.61 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 115 K 7.51 4.69 0.00 1.74 1.60 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.35 7.81 116 A 8.52 4.36 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 0.00 117 L 9.08 4.47 0.00 1.58 1.54 0.95 0.66 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 0.00 118 A 8.21 4.87 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 0.00 119 L 8.08 4.69 0.00 1.58 1.59 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.47 4.77 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 121 G 8.43 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 0.00 122 E 9.19 4.53 0.00 1.93 1.93 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 2.33 2.34 0.00 123 L 7.74 4.56 0.00 1.62 1.56 0.94 0.59 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 0.00 124 R 7.51 3.83 0.00 2.14 2.11 0.00 3.26 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 125 E 8.69 4.75 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 126 K 7.68 4.58 0.00 2.17 2.41 0.00 1.08 0.00 0.00 1.19 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.48 1.43 7.81 127 L 8.37 4.68 0.00 1.94 1.92 1.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.02 4.14 0.00 2.25 2.04 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 2.39 2.48 0.00 129 Q 7.78 4.50 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 *131 V 7.48 3.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.86 0.00 0.00 132 K 7.64 4.21 0.00 2.16 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.