NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4257 8.3049 120.3261 54.9913 33.4244 174.6676 2 N 4.4791 8.6115 121.9479 51.4609 39.5637 172.6484 3 T 5.2249 9.0858 114.7472 60.0042 72.7515 172.5003 4 Y 4.7865 9.3045 120.5617 56.4335 41.7083 174.5122 5 S 5.2982 8.8858 119.8521 56.9882 65.0454 173.6193 6 I 4.5563 8.7230 125.4021 59.7637 40.7840 174.4290 7 T 4.9855 8.5805 123.5322 62.1782 69.7805 174.1209 8 L 4.8585 8.8638 126.3247 52.0641 45.2454 174.5314 9 P 4.9264 0.0000 0.0000 61.9270 32.5133 175.9769 10 W 4.2721 8.8728 132.1694 57.0122 31.0224 174.2016 11 P 3.9298 0.0000 0.0000 60.6783 32.0185 174.0276 12 P 4.4268 0.0000 0.0000 62.2043 32.0323 177.3624 13 S 4.3257 8.4569 115.6164 58.4427 64.8324 174.8301 14 N 4.3867 8.7603 121.0932 57.0994 38.4422 176.8361 15 N 4.4683 8.1630 116.9417 55.8278 37.5728 176.7558 16 R 4.2022 7.5358 118.9133 58.1056 30.6261 177.1518 17 Y 3.8617 8.1364 119.9551 59.3466 39.1080 174.3202 18 Y 5.3861 7.4302 114.9659 56.1833 41.7085 174.9463 19 R 4.8459 9.6547 120.1411 54.8704 35.1850 173.7605 20 H 5.4432 8.7461 116.2131 54.2862 31.5514 173.6109 21 N 4.7657 8.9984 119.6433 52.2472 41.2900 174.9798 22 R 3.4970 9.8475 125.1067 57.3590 27.7316 177.1559 23 G 3.9684 9.0332 100.3838 45.5316 0.0000 173.2150 24 R 4.6967 7.6651 113.8314 54.2697 32.4905 174.3449 25 T 4.7221 8.4312 117.6945 63.9029 69.4534 173.4425 26 H 5.0101 9.4077 124.4473 54.1789 34.0140 172.6185 27 V 4.1791 8.3708 123.8196 63.2033 32.2728 175.9124 28 S 4.5389 8.7569 122.6424 57.2713 64.8279 174.9090 29 A 3.9351 8.6070 120.9064 55.4553 17.9018 179.6204 30 E 3.9198 8.0538 116.6692 59.3862 29.5719 179.6314 31 G 2.2841 7.7673 105.8195 47.3000 0.0000 175.6106 32 Q 3.8481 8.2458 122.1003 58.6455 28.9292 178.0519 33 A 3.9360 8.1923 122.3941 55.0608 18.2984 178.9827 34 Y 3.9159 7.8541 118.0400 60.8565 38.8698 178.2550 35 R 3.8346 8.0314 119.0202 59.6038 30.2435 178.8061 36 D 4.3085 8.3347 118.7360 57.3437 40.7896 178.6298 37 N 4.2438 8.2544 117.2566 56.2840 38.4468 177.7061 38 V 3.3505 7.6364 119.5449 65.7401 31.5123 177.8851 39 A 3.8685 8.2316 121.0392 55.0374 18.0700 179.6439 40 R 3.7741 7.9826 117.1840 59.5028 30.2369 178.6631 41 I 3.6251 7.6177 119.5967 64.5177 37.0352 178.5379 42 I 3.6150 7.8478 120.5623 64.2887 36.9838 178.6772 43 K 3.9422 8.3260 119.7112 59.6711 31.6841 179.2623 44 N 4.3758 8.3184 115.5402 55.7107 38.4969 176.3505 45 A 4.3252 7.6473 119.1009 51.3135 19.2196 176.7051 46 M 3.1349 7.8253 116.0091 56.7723 30.1423 177.4572 47 L 4.6343 8.1723 116.1821 54.6932 42.8606 177.2964 48 D 4.8634 7.8210 120.5431 52.3689 37.9474 176.1928 49 I 4.1377 7.4023 111.0998 60.3081 39.4531 176.1598 50 G 3.8132 7.9328 109.0966 45.8774 0.0000 174.5666 51 L 3.7735 7.5008 117.9358 55.3349 42.3147 178.4752 52 A 4.7492 8.4962 123.7810 51.8568 20.4661 175.7200 53 M 4.5167 7.5898 112.9358 52.9263 33.4978 174.4259 54 P 4.5824 0.0000 0.0000 63.1571 32.8352 175.9638 55 V 4.9772 8.7141 115.1430 59.5874 36.4706 174.2283 56 K 5.2407 8.9357 123.7037 54.9709 34.9034 175.0418 57 I 5.3703 8.9204 126.1460 59.6960 41.8738 173.9271 58 R 5.0786 9.2231 126.4972 54.6756 32.7094 174.5412 59 I 4.8645 9.2184 127.3284 59.7716 39.8234 174.2946 60 E 4.7722 9.3566 128.5151 55.5349 31.2212 175.5970 61 C 4.9091 9.2647 123.9761 58.7039 29.3925 172.4963 62 H 4.8546 9.4218 122.3823 54.7499 28.8460 174.9072 63 M 4.0517 8.2699 123.2976 54.3949 32.5552 176.2625 64 P 4.2795 0.0000 0.0000 64.4691 32.1550 175.1547 65 D 4.3313 6.9941 115.7631 53.6518 41.3397 175.2928 66 R 4.3233 8.5873 120.1563 56.9759 30.4547 177.7654 67 R 4.0647 8.0441 117.3445 55.5705 29.9212 181.4056 68 R 4.0634 8.4484 120.4119 56.7757 30.4067 176.3268 69 R 4.7132 8.2519 123.2184 54.5873 33.9914 174.1962 70 N 4.7380 8.6552 119.6982 52.3127 39.8456 176.4821 71 L 3.8573 8.5537 123.2062 57.4710 42.3490 179.0677 72 D 4.3529 8.0934 118.7773 56.4645 39.1711 178.2482 73 N 4.2170 7.6864 117.5935 55.9584 38.4260 177.3685 74 L 3.6170 7.6564 120.4492 57.4544 41.5736 179.1207 75 Q 3.6170 7.7594 119.0374 58.8556 28.9047 178.0555 76 K 3.6317 7.8371 120.3030 59.4045 32.1391 178.5491 77 A 3.5815 7.6595 120.6186 54.9289 18.1905 179.3957 78 A 4.0774 7.9981 119.2658 55.5230 18.4906 179.9505 79 F 4.5813 8.6201 116.5334 60.7376 39.0123 177.2983 80 D 4.4757 8.5573 117.6445 57.5845 41.0947 178.3620 81 A 4.0603 8.4207 121.2564 55.1988 18.4335 179.6379 82 L 3.6716 8.1168 117.6574 57.8303 41.4966 179.9274 83 T 3.9019 8.0551 115.7633 66.7812 68.3179 177.0341 84 K 4.0935 8.0248 118.3460 58.9410 32.1220 178.7431 85 A 4.1951 7.8860 119.7244 52.4097 18.6675 178.1463 86 G 3.8128 7.9362 105.7987 46.0305 0.0000 175.4947 87 F 4.5459 8.2604 124.0053 59.5556 40.0548 174.8822 88 W 5.2143 7.2472 112.3220 54.3426 30.7620 175.4738 89 L 4.3175 8.8433 120.5927 57.5782 41.9555 177.8685 90 D 4.6785 8.3758 117.6850 52.7428 44.6066 175.5204 91 D 3.5618 8.8016 125.2793 54.9955 39.7222 177.8748 92 A 4.0260 8.0325 122.7385 54.6207 18.5555 178.7086 93 Q 3.8045 7.7340 115.0573 57.9798 28.8527 176.2084 94 V 3.8910 6.9678 117.8077 62.7623 30.6445 175.6717 95 V 4.2979 8.0428 120.5299 61.4011 32.8961 176.0876 96 D 4.5998 7.7112 120.5070 53.6351 43.8699 173.4421 97 Y 5.5989 8.3915 123.5102 55.4490 41.7683 174.4534 98 R 4.6713 9.3274 120.6107 54.6353 33.8146 173.8435 99 V 5.0047 8.5686 125.1027 61.2520 34.2483 174.8968 100 V 4.5536 8.7689 120.3687 59.2449 35.6732 174.7732 101 K 4.4786 8.8538 126.9381 56.7556 33.0948 175.6345 102 M 4.8993 9.0231 126.1951 52.3510 36.2020 173.2498 103 P 4.5622 0.0000 0.0000 62.5975 32.2529 176.8687 104 V 3.9449 8.2347 122.1620 63.8264 32.2878 175.1638 105 T 4.6586 8.9449 121.2628 59.8995 71.2971 172.8481 106 K 3.8710 8.7304 128.6773 58.3738 32.3739 176.6155 107 G 3.8951 8.8414 114.8494 44.2139 0.0000 173.9653 108 G 3.9027 8.7764 105.0496 45.7036 0.0000 172.9070 109 R 4.9260 8.7974 116.7141 54.8655 35.4544 174.0832 110 L 5.2457 9.1621 122.8650 53.2632 44.2382 175.2170 111 E 4.9477 9.3458 124.5183 54.8202 31.5201 174.9732 112 L 5.3270 9.1260 125.5365 53.3129 44.7504 175.9275 113 T 5.0822 8.9786 119.0285 61.9890 71.8717 172.8602 114 I 5.1257 9.2197 128.0708 59.8250 40.2633 174.7607 115 T 5.1804 9.0550 123.9119 61.4582 71.2687 173.5828 116 E 4.3186 9.2640 127.1643 56.1762 30.3381 177.5953 117 M 4.8479 8.7097 122.8808 54.0411 32.4022 177.1280 118 G 3.6483 8.0126 108.0506 48.2279 0.0000 172.7959 119 N 4.6723 7.9370 114.5216 53.0470 39.1865 174.5776 120 E 4.1081 7.9245 124.8239 56.3874 29.6466 176.0791 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 4.43 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 2 N 8.61 4.48 0.00 2.89 2.63 0.00 0.00 6.64 6.17 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 3 T 9.09 5.22 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 1.30 0.00 0.00 4 Y 9.30 4.79 0.00 3.07 2.94 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 5 S 8.89 5.30 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.72 4.56 1.67 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.69 0.00 0.00 7 T 8.58 4.99 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 1.30 0.00 0.00 8 L 8.86 4.86 0.00 1.59 1.58 0.89 0.68 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 9 P 0.00 4.93 0.00 2.19 2.12 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 10 W 8.87 4.27 0.00 3.57 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 3.93 0.00 1.59 0.61 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 12 P 0.00 4.43 0.00 2.07 2.01 0.00 3.40 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 13 S 8.46 4.33 0.00 4.09 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 14 N 8.76 4.39 0.00 2.95 2.91 0.00 0.00 6.68 6.71 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 15 N 8.16 4.47 0.00 2.97 2.99 0.00 0.00 6.03 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 16 R 7.54 4.20 0.00 1.94 2.17 0.00 3.19 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 17 Y 8.14 3.86 0.00 3.07 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.43 5.39 0.00 3.02 2.79 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 19 R 9.65 4.85 0.00 1.67 1.81 0.00 3.25 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 20 H 8.75 5.44 0.00 3.03 3.18 0.00 5.64 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 21 N 9.00 4.77 0.00 2.74 2.70 0.00 0.00 6.85 7.19 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 22 R 9.85 3.50 0.00 1.91 1.96 0.00 3.24 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 23 G 9.03 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 24 R 7.67 4.70 0.00 2.02 2.00 0.00 2.81 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 25 T 8.43 4.72 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 1.10 0.00 0.00 26 H 9.41 5.01 0.00 3.23 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.37 4.18 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 0.62 0.00 0.00 1.07 0.00 0.00 28 S 8.76 4.54 0.00 3.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.61 3.94 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 30 E 8.05 3.92 0.00 2.06 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 2.36 2.33 0.00 31 G 7.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.25 3.85 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 33 A 8.19 3.94 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 34 Y 7.85 3.92 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.83 0.00 2.04 1.95 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 36 D 8.33 4.31 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 37 N 8.25 4.24 0.00 2.70 2.73 0.00 0.00 6.67 8.54 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 38 V 7.64 3.35 1.75 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 0.88 0.00 0.00 0.22 0.00 0.00 39 A 8.23 3.87 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 40 R 7.98 3.77 0.00 1.92 2.03 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 41 I 7.62 3.63 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.82 0.00 0.00 42 I 7.85 3.61 1.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 43 K 8.33 3.94 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.55 7.81 44 N 8.32 4.38 0.00 2.72 2.86 0.00 0.00 7.03 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.65 4.33 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 46 M 7.83 3.13 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 47 L 8.17 4.63 0.00 1.79 1.77 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.82 4.86 0.00 2.77 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 49 I 7.40 4.14 1.84 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 1.46 0.48 0.96 0.00 0.00 50 G 7.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.50 3.77 0.00 1.46 1.48 0.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.50 4.75 1.21 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 0.00 0.00 0.00 0.00 0.00 53 M 7.59 4.52 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 54 P 0.00 4.58 0.00 2.22 1.96 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 55 V 8.71 4.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.75 0.00 0.00 56 K 8.94 5.24 0.00 1.85 1.69 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.58 7.81 57 I 8.92 5.37 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 1.18 0.00 0.00 58 R 9.22 5.08 0.00 1.94 1.85 0.00 3.09 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 1.60 1.64 0.00 59 I 9.22 4.86 1.96 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 1.41 0.76 0.95 0.00 0.00 60 E 9.36 4.77 0.00 2.15 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 2.36 0.00 61 C 9.26 4.91 0.00 2.97 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 62 H 9.42 4.85 0.00 3.43 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.27 4.05 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 64 P 0.00 4.28 0.00 1.78 1.36 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.00 65 D 6.99 4.33 0.00 2.67 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 66 R 8.59 4.32 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 67 R 8.04 4.06 0.00 1.83 1.72 0.00 3.28 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 68 R 8.45 4.06 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 69 R 8.25 4.71 0.00 1.88 1.89 0.00 3.37 0.00 0.00 3.62 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 70 N 8.66 4.74 0.00 2.83 2.81 0.00 0.00 7.16 6.74 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 71 L 8.55 3.86 0.00 1.72 1.73 0.95 1.10 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 72 D 8.09 4.35 0.00 2.82 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 73 N 7.69 4.22 0.00 2.66 2.78 0.00 0.00 6.93 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.66 3.62 0.00 1.66 1.34 0.86 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.76 3.62 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.48 0.00 76 K 7.84 3.63 0.00 1.79 1.76 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.38 7.81 77 A 7.66 3.58 0.92 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 78 A 8.00 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.62 4.58 0.00 3.04 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 80 D 8.56 4.48 0.00 2.96 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 81 A 8.42 4.06 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 82 L 8.12 3.67 0.00 1.10 0.59 0.45 0.11 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 83 T 8.06 3.90 4.54 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 1.37 0.00 0.00 84 K 8.02 4.09 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.65 7.81 85 A 7.89 4.20 1.25 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 0.00 0.00 86 G 7.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.26 4.55 0.00 2.82 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 88 W 7.25 5.21 0.00 3.10 2.83 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 89 L 8.84 4.32 0.00 1.77 1.78 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.38 4.68 0.00 2.64 2.36 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 91 D 8.80 3.56 0.00 2.72 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 92 A 8.03 4.03 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 93 Q 7.73 3.80 0.00 1.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 94 V 6.97 3.89 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 0.81 0.00 0.00 -0.31 0.00 0.00 95 V 8.04 4.30 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 0.68 0.00 0.00 0.92 0.00 0.00 96 D 7.71 4.60 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.39 5.60 0.00 3.22 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 98 R 9.33 4.67 0.00 1.88 1.82 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 99 V 8.57 5.00 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 0.91 0.00 0.00 1.12 0.00 0.00 100 V 8.77 4.55 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 0.66 0.00 0.00 0.95 0.00 0.00 101 K 8.85 4.48 0.00 1.80 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 102 M 9.02 4.90 0.00 1.64 1.70 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 2.34 2.73 0.00 103 P 0.00 4.56 0.00 1.95 1.99 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 104 V 8.23 3.94 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 0.66 0.00 0.00 0.91 0.00 0.00 105 T 8.94 4.66 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 1.20 0.00 0.00 106 K 8.73 3.87 0.00 1.70 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 107 G 8.84 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 0.00 0.00 0.00 0.00 108 G 8.78 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 0.00 0.00 0.00 0.00 109 R 8.80 4.93 0.00 1.84 1.85 0.00 3.10 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 110 L 9.16 5.25 0.00 1.63 1.62 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.35 4.95 0.00 1.98 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 2.25 2.38 0.00 112 L 9.13 5.33 0.00 1.64 1.61 1.03 0.59 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 0.00 113 T 8.98 5.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 114 I 9.22 5.13 2.31 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 1.64 0.82 1.31 0.00 0.00 115 T 9.06 5.18 4.32 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 1.26 0.00 0.00 116 E 9.26 4.32 0.00 1.90 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 0.00 2.52 2.68 0.00 117 M 8.71 4.85 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 118 G 8.01 3.65 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 0.00 119 N 7.94 4.67 0.00 2.72 2.86 0.00 0.00 6.86 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 0.00 120 E 7.92 4.11 0.00 1.99 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 2.31 2.29 0.00