NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7016 8.4249 119.2034 53.2267 39.1302 172.2494 4 I 4.7137 7.7487 123.6812 58.7692 41.2614 172.6368 5 T 5.0193 9.0133 122.6535 61.6787 72.5426 172.4866 6 I 4.9162 8.4182 125.2888 59.4496 41.1197 173.9395 7 Y 4.7676 9.3418 128.1036 57.6831 38.1552 173.5662 8 H 5.1335 9.5874 125.1920 54.1256 33.1379 172.6815 9 N 4.9326 8.8123 123.2670 51.0387 39.7776 172.6127 10 P 4.1844 0.0000 0.0000 64.8909 31.9333 177.5886 11 A 4.2364 8.0695 123.5085 50.5992 17.1803 176.6478 *13 G 4.0709 7.9085 111.6932 45.2064 0.0000 173.2785 14 T 3.9237 7.9248 116.4802 66.4964 68.4090 176.4809 15 S 4.1710 8.0375 114.4895 61.3511 62.5658 176.1819 16 R 4.0459 8.0282 120.2973 59.4924 29.9484 178.5607 17 N 4.5584 8.7194 116.5993 56.6594 38.4786 177.6182 18 T 3.7788 7.9648 117.0566 66.5174 68.6165 176.2975 19 L 3.8862 7.9475 122.1415 58.4646 42.0195 178.9977 20 E 4.1298 8.3509 118.2034 59.4183 29.1494 179.2628 21 M 3.4750 7.6832 118.3961 57.8797 32.1303 178.3376 22 I 3.7739 7.7644 120.1000 64.6901 37.2795 178.4870 23 R 4.2167 7.9282 119.9055 58.6893 29.8606 178.1311 24 N 4.5518 8.4081 115.5974 54.9896 38.8468 175.8860 25 S 4.6821 7.9386 114.0246 59.0716 63.6991 174.7267 26 G 4.0081 8.5437 111.6632 45.4251 0.0000 173.2687 27 T 4.5638 7.4989 108.4379 59.2777 71.6787 172.5896 28 E 4.3762 8.5888 124.4718 54.4786 29.7886 174.1974 29 P 4.7397 0.0000 0.0000 62.2612 33.2007 175.9991 30 T 4.0498 9.2385 118.3767 63.7170 69.5059 173.6786 31 I 4.7445 8.3132 126.7390 59.6446 39.3964 174.8828 32 I 4.2245 8.3983 128.8051 59.5820 39.3673 175.7214 33 L 4.5962 8.5227 128.6981 53.6844 38.7115 176.8284 34 Y 4.5736 8.3776 120.6459 59.7496 37.8973 178.4637 35 L 3.9789 7.0882 120.1136 56.5950 41.7521 177.8520 36 E 4.5679 7.4412 113.6007 55.8856 32.3138 175.9000 37 N 5.0742 8.2382 116.3591 50.9535 38.8532 172.0201 38 P 4.7139 0.0000 0.0000 61.5446 32.7523 175.2692 39 P 4.7450 0.0000 0.0000 61.8608 31.9915 176.5844 40 S 4.4451 8.6516 114.6300 57.6839 65.2022 175.1917 41 R 3.8453 8.3910 121.1796 59.7355 29.8006 177.9308 42 D 4.3753 8.0827 118.0729 57.5904 40.6148 178.6146 43 E 3.9953 8.0324 118.5792 59.1987 29.4508 179.2332 44 L 3.9104 8.2668 120.8458 58.1492 42.1959 179.1365 45 V 3.5891 8.2263 118.6364 65.8489 31.2762 177.9554 46 K 3.9662 8.0513 119.4902 59.2281 31.9651 178.7287 47 L 3.9302 8.2105 119.7495 57.8447 41.0508 179.5971 48 I 3.6065 7.7575 119.2567 64.2544 37.0551 178.0735 49 A 3.9748 7.8686 121.4995 55.6464 17.9994 179.5168 50 D 4.3110 8.1349 115.9007 57.7042 40.9544 178.6475 51 M 4.4980 7.7602 119.5389 55.1830 31.9653 176.8630 52 G 3.9437 7.9700 106.9121 46.2768 0.0000 173.1318 53 I 4.5387 6.8841 112.2086 57.9175 40.3153 175.1535 54 S 4.3810 8.2408 115.1531 57.7488 63.9904 175.1352 55 V 3.7085 8.4764 120.8965 66.4202 31.1900 178.3130 56 R 3.9647 8.0770 117.5731 59.3324 29.7182 178.0644 57 A 3.9976 7.9354 119.7951 54.5063 18.6357 178.0820 58 L 4.0886 7.8687 118.5027 56.4871 42.6234 176.2573 59 L 4.6468 7.7469 119.5942 54.8537 42.0756 176.6473 60 K 4.0808 8.8991 126.8311 56.1605 32.2621 176.9833 61 K 2.8075 8.2181 126.9179 54.7824 34.9305 175.8012 62 N 4.8018 8.2005 114.1271 53.6445 36.2038 175.4015 63 V 4.5403 7.0852 109.0531 58.3272 37.1447 175.1243 64 E 3.9845 8.8559 122.4257 59.5651 29.3405 177.9417 65 P 4.1381 0.0000 0.0000 65.2898 30.9668 177.9727 66 Y 3.7946 7.9378 118.1632 60.6272 38.7625 177.9875 67 E 4.0115 8.2442 119.3407 59.7463 29.4745 179.3480 68 Q 4.0652 8.1494 116.4550 58.1190 29.0497 177.0358 69 L 4.0316 7.8551 115.9484 54.3563 41.9786 176.9906 70 G 3.8491 7.7179 107.0115 46.5662 0.0000 175.8240 71 L 3.6044 7.0936 119.8505 55.7701 41.6592 178.5379 72 A 4.2130 7.2346 120.4804 54.1378 18.5474 177.8776 73 E 4.2340 7.8828 115.1441 56.3387 30.4560 177.3821 74 D 4.7422 8.3601 123.3624 53.3414 39.6216 175.8009 75 K 4.4167 7.6790 115.3168 55.1814 34.0900 176.0780 76 F 5.0745 7.8773 117.4272 55.1629 42.0358 175.7709 77 T 4.2375 8.8602 116.2629 61.3483 70.7359 175.3596 78 D 4.4133 8.6150 121.3706 57.9062 40.8378 178.9714 79 D 4.4569 8.0711 118.7283 57.0978 40.8505 178.6275 80 Q 3.8284 8.1957 118.7818 58.9380 28.7929 178.8697 81 L 4.1707 8.1325 119.8659 57.9429 41.6901 179.5499 82 I 3.7290 8.3790 120.0212 64.7070 37.0646 178.2875 83 D 4.3627 8.2377 119.5510 57.0584 40.5804 178.8255 84 F 4.4729 8.0890 118.6070 60.8999 39.0008 177.4786 85 M 4.1791 8.3019 118.3065 58.4973 31.5186 178.8794 86 L 4.0624 7.7486 118.1585 57.8200 41.9051 179.1496 87 Q 4.2841 8.0630 116.4049 57.3211 30.3274 176.4194 88 H 4.9693 8.2063 116.9082 53.2520 29.8990 172.0960 89 P 5.1745 0.0000 0.0000 64.4214 31.8212 178.4418 90 I 3.9873 7.7613 116.9026 62.8824 38.2478 176.4902 91 L 4.1630 8.4863 120.2763 57.1416 41.6901 176.3586 92 I 4.3228 7.7191 120.6694 60.4035 37.2286 175.7489 93 N 4.7324 9.0153 127.2616 53.8027 39.7880 173.8916 94 R 4.7184 8.0946 116.8779 54.1982 32.5444 172.5198 95 P 4.9688 0.0000 0.0000 61.3196 33.8181 174.3498 96 I 4.7396 8.1751 122.4745 60.2965 39.2003 174.6970 97 V 4.9121 8.8082 126.1530 61.0610 34.9030 174.0623 98 V 4.9360 9.0557 128.0818 61.4297 33.8940 174.4850 99 T 5.2220 8.9595 117.2601 59.0250 72.2393 173.0331 100 P 4.3073 0.0000 0.0000 65.3595 31.3361 177.8932 101 L 4.1935 8.1212 116.9086 54.7796 42.2099 177.0940 102 G 3.9999 6.3028 105.3667 45.2819 0.0000 170.5694 103 T 5.1941 7.7627 114.9557 61.8828 72.1632 173.7669 104 R 4.6131 9.0518 123.9338 54.1884 35.2127 174.2941 105 L 4.3180 8.5185 124.4723 55.0089 42.0119 177.2100 106 C 4.5047 9.2855 128.9192 58.3308 26.6752 172.5261 107 R 4.4886 7.6281 116.4167 53.2895 32.5253 173.9785 108 P 4.6141 0.0000 0.0000 61.6391 32.6454 177.5300 109 S 4.3987 8.8702 114.9225 60.8831 62.6815 175.7333 110 E 4.0882 8.0796 119.2062 57.5651 29.4153 178.5201 111 V 3.5948 7.8404 120.7329 66.3063 31.5636 177.9325 112 V 3.6159 8.0285 118.7806 64.7170 29.8236 178.2927 113 L 4.0009 7.8386 119.5629 57.6334 41.0964 179.0586 114 D 4.6702 8.0593 118.8167 56.2927 40.8480 177.0809 115 I 4.3029 7.3199 109.4341 60.2720 38.6315 175.5924 116 L 4.1712 7.2053 123.1803 54.7039 41.8874 177.1602 117 Q 4.1053 8.8013 123.3140 58.4102 29.0607 176.3627 118 D 4.7832 7.7072 115.7786 52.2591 42.4803 176.2390 119 A 4.1540 8.2848 125.4343 51.7699 18.5230 177.5201 120 Q 4.1789 8.5904 119.1565 56.7534 29.1793 178.3324 121 K 3.9954 8.8705 120.9231 57.6319 32.5434 176.3752 122 G 4.1489 7.1126 104.7835 45.3015 0.0000 173.1324 123 A 4.6885 9.2157 122.1617 51.6449 19.2742 177.1759 124 F 4.7264 9.2054 122.2077 56.5954 42.5749 173.9094 125 T 4.8684 7.4170 121.7448 61.2314 71.1457 174.2926 126 K 4.2870 9.1383 126.5836 56.1061 32.7890 177.9458 127 E 3.8792 9.1514 119.3303 59.1019 29.4957 177.6427 128 D 4.5518 8.0382 117.0405 53.2734 39.6896 177.0454 129 G 3.8625 8.1748 109.0499 45.1729 0.0000 173.5750 130 E 4.0417 8.3122 122.0252 55.5442 29.7857 176.0956 131 K 4.3997 8.5912 126.5948 56.6633 33.1457 175.9630 132 V 4.3648 9.4351 122.5700 64.1481 33.8195 175.6637 133 V 5.1204 7.6786 112.2176 59.6479 36.0906 175.1047 134 D 5.0973 8.4809 123.4980 52.0870 41.7364 176.6276 135 E 3.9743 8.9027 118.1281 59.3984 29.7403 178.0030 136 A 4.0177 8.0318 120.6882 54.5203 18.5111 177.9090 137 G 4.0836 8.0721 101.2792 45.1489 0.0000 173.8212 138 K 4.1692 8.2408 122.0754 55.4314 32.9801 176.2323 139 R 4.4188 8.5515 125.3400 56.5533 30.6537 176.6632 140 L 4.3106 8.9765 122.0267 54.9079 41.7881 176.3422 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 N 8.42 4.70 0.00 2.70 2.83 0.00 0.00 6.80 7.06 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 4 I 7.75 4.71 1.85 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 1.33 0.97 0.96 0.00 0.00 5 T 9.01 5.02 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 0.90 0.00 0.00 6 I 8.42 4.92 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 1.29 1.80 0.92 0.00 0.00 7 Y 9.34 4.77 0.00 2.91 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 8 H 9.59 5.13 0.00 3.24 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.81 4.93 0.00 2.87 2.78 0.00 0.00 7.20 7.31 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 10 P 0.00 4.18 0.00 2.05 2.11 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 11 A 8.07 4.24 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 *13 G 7.91 4.07 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 0.00 0.00 0.00 14 T 7.92 3.92 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 1.25 0.00 0.00 15 S 8.04 4.17 0.00 3.97 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 16 R 8.03 4.05 0.00 2.09 2.03 0.00 3.23 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 17 N 8.72 4.56 0.00 2.77 3.04 0.00 0.00 7.09 6.99 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 18 T 7.96 3.78 4.39 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 1.19 0.00 0.00 19 L 7.95 3.89 0.00 1.65 1.80 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.35 4.13 0.00 2.38 2.27 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 2.66 2.62 0.00 21 M 7.68 3.47 0.00 1.63 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.00 22 I 7.76 3.77 1.98 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 1.48 0.67 0.92 0.00 0.00 23 R 7.93 4.22 0.00 2.04 2.01 0.00 3.38 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 24 N 8.41 4.55 0.00 3.06 3.08 0.00 0.00 6.89 7.59 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 25 S 7.94 4.68 0.00 4.25 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 26 G 8.54 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 27 T 7.50 4.56 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 28 E 8.59 4.38 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 29 P 0.00 4.74 0.00 2.07 2.00 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 30 T 9.24 4.05 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 1.15 0.00 0.00 31 I 8.31 4.74 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.93 0.00 0.00 32 I 8.40 4.22 1.30 0.00 0.00 0.46 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 0.55 0.94 0.00 0.00 33 L 8.52 4.60 0.00 1.66 1.56 0.91 0.82 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 34 Y 8.38 4.57 0.00 3.50 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.09 3.98 0.00 1.35 1.59 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.44 4.57 0.00 2.05 2.00 0.00 0.00 0.00 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 2.29 0.00 37 N 8.24 5.07 0.00 2.78 2.80 0.00 0.00 7.01 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 P 0.00 4.71 0.00 2.25 2.17 0.00 3.81 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 2.03 2.00 0.00 39 P 0.00 4.74 0.00 2.19 2.13 0.00 3.45 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 40 S 8.65 4.45 0.00 4.08 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 41 R 8.39 3.85 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.08 4.38 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.03 4.00 0.00 2.16 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 0.00 2.37 2.34 0.00 44 L 8.27 3.91 0.00 1.74 1.78 0.80 0.73 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 45 V 8.23 3.59 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 0.93 0.00 0.00 0.97 0.00 0.00 46 K 8.05 3.97 0.00 1.88 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.47 7.81 47 L 8.21 3.93 0.00 1.72 1.57 0.41 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.76 3.61 1.97 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 1.41 0.87 0.93 0.00 0.00 49 A 7.87 3.97 1.38 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 0.00 0.00 0.00 0.00 0.00 50 D 8.13 4.31 0.00 2.69 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 51 M 7.76 4.50 0.00 1.95 2.26 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 2.75 2.52 0.00 52 G 7.97 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 0.00 0.00 0.00 53 I 6.88 4.54 1.86 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 1.33 0.76 0.90 0.00 0.00 54 S 8.24 4.38 0.00 4.01 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 55 V 8.48 3.71 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 1.05 0.00 0.00 0.99 0.00 0.00 56 R 8.08 3.96 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 57 A 7.94 4.00 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 58 L 7.87 4.09 0.00 1.72 1.81 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.75 4.65 0.00 1.85 1.78 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.90 4.08 0.00 1.68 1.93 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.38 7.81 61 K 8.22 2.81 0.00 1.39 1.00 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.76 1.10 7.81 62 N 8.20 4.80 0.00 2.75 2.83 0.00 0.00 7.04 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 63 V 7.09 4.54 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 0.82 0.00 0.00 1.00 0.00 0.00 64 E 8.86 3.98 0.00 2.02 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 2.49 2.42 0.00 65 P 0.00 4.14 0.00 2.07 1.81 0.00 3.60 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 2.10 0.00 66 Y 7.94 3.79 0.00 2.93 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 67 E 8.24 4.01 0.00 2.24 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 2.39 2.49 0.00 68 Q 8.15 4.07 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 L 7.86 4.03 0.00 1.17 1.00 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.72 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 0.00 0.00 0.00 71 L 7.09 3.60 0.00 0.34 1.05 0.51 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.23 4.21 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 73 E 7.88 4.23 0.00 2.19 1.89 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 2.35 2.26 0.00 74 D 8.36 4.74 0.00 2.66 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 75 K 7.68 4.42 0.00 0.81 1.14 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.15 1.26 7.81 76 F 7.88 5.07 0.00 3.05 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 77 T 8.86 4.24 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 1.22 0.00 0.00 78 D 8.62 4.41 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.07 4.46 0.00 2.75 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 80 Q 8.20 3.83 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 81 L 8.13 4.17 0.00 1.93 1.78 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.38 3.73 1.97 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 1.51 0.84 0.89 0.00 0.00 83 D 8.24 4.36 0.00 2.60 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 84 F 8.09 4.47 0.00 3.20 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 85 M 8.30 4.18 0.00 2.10 2.33 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 2.83 2.64 0.00 86 L 7.75 4.06 0.00 1.76 1.73 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.06 4.28 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 88 H 8.21 4.97 0.00 3.28 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 5.17 0.00 2.25 2.31 0.00 3.92 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 2.15 2.09 0.00 90 I 7.76 3.99 1.90 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 1.46 0.78 0.96 0.00 0.00 91 L 8.49 4.16 0.00 1.90 1.77 0.96 0.97 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 92 I 7.72 4.32 1.87 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 1.08 0.51 0.60 0.00 0.00 93 N 9.02 4.73 0.00 2.83 2.66 0.00 0.00 7.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.09 4.72 0.00 1.76 1.57 0.00 3.29 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 95 P 0.00 4.97 0.00 2.19 2.29 0.00 4.03 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 2.04 1.87 0.00 96 I 8.18 4.74 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.84 0.00 0.00 97 V 8.81 4.91 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 1.03 0.00 0.00 0.95 0.00 0.00 98 V 9.06 4.94 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 0.97 0.00 0.00 1.07 0.00 0.00 99 T 8.96 5.22 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 1.24 0.00 0.00 100 P 0.00 4.31 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 101 L 8.12 4.19 0.00 1.78 1.71 0.91 0.87 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 0.00 102 G 6.30 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 5.19 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 1.26 0.00 0.00 104 R 9.05 4.61 0.00 1.63 1.73 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.52 4.32 0.00 1.59 1.57 0.86 0.89 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 0.00 106 C 9.29 4.50 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.63 4.49 0.00 1.72 1.82 0.00 3.52 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 P 0.00 4.61 0.00 2.44 2.20 0.00 3.70 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 2.07 1.95 0.00 109 S 8.87 4.40 0.00 4.07 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 0.00 110 E 8.08 4.09 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 111 V 7.84 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 112 V 8.03 3.62 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 0.66 0.00 0.00 0.89 0.00 0.00 113 L 7.84 4.00 0.00 1.78 1.73 0.89 0.89 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 0.00 114 D 8.06 4.67 0.00 2.75 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 0.00 115 I 7.32 4.30 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 1.28 0.69 0.90 0.00 0.00 116 L 7.21 4.17 0.00 1.80 1.62 0.84 0.85 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 0.00 117 Q 8.80 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.71 4.78 0.00 2.78 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 0.00 119 A 8.28 4.15 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 0.00 120 Q 8.59 4.18 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 121 K 8.87 4.00 0.00 1.75 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 122 G 7.11 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.69 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 0.00 124 F 9.21 4.73 0.00 3.05 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 0.00 125 T 7.42 4.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 126 K 9.14 4.29 0.00 1.97 1.80 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.64 7.81 127 E 9.15 3.88 0.00 2.05 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 0.00 2.52 2.26 0.00 128 D 8.04 4.55 0.00 2.80 2.81 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 0.00 129 G 8.17 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 0.00 130 E 8.31 4.04 0.00 2.12 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 2.29 0.00 131 K 8.59 4.40 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 132 V 9.44 4.36 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 1.03 0.00 0.00 1.13 0.00 0.00 133 V 7.68 5.12 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 0.75 0.00 0.00 1.00 0.00 0.00 134 D 8.48 5.10 0.00 2.78 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 0.00 135 E 8.90 3.97 0.00 1.95 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 0.00 2.30 2.26 0.00 136 A 8.03 4.02 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 0.00 137 G 8.07 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 0.00 0.00 0.00 138 K 8.24 4.17 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.46 7.81 139 R 8.55 4.42 0.00 1.85 1.87 0.00 3.61 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.98 4.31 0.00 1.60 1.57 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.