NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2994 0.0000 0.0000 61.0156 33.8690 176.9001 3 L 4.4907 7.1615 116.6611 55.3542 41.3322 176.0844 4 G 4.2531 7.8831 105.7472 46.2365 0.0000 176.4553 5 S 4.2671 8.0105 116.0075 60.6378 62.4092 175.5869 6 A 4.1569 7.8024 123.9582 55.3697 18.0708 179.4623 7 M 3.9361 7.9642 116.6137 58.6520 31.9847 178.8824 8 R 3.9091 7.7579 117.6167 59.4813 30.1571 178.9871 9 E 3.9706 8.3521 118.3625 59.2422 29.1698 179.1295 10 L 3.8781 7.2562 121.0891 57.1913 42.2272 178.6258 11 L 3.6557 7.6335 118.0695 56.7782 41.5196 178.6015 12 L 4.3287 7.4146 118.5236 55.8553 42.7702 177.1308 13 S 4.1355 8.2754 113.7770 57.5779 64.0181 175.3703 14 D 4.4110 8.7628 122.1274 57.1845 40.3677 178.6095 15 E 3.9048 8.1592 119.5699 59.6385 29.5183 178.1722 16 Y 3.8735 8.0256 117.2494 60.6203 38.9559 177.3961 17 A 4.0972 8.1264 121.0270 55.0794 18.4664 178.5202 18 E 3.8578 8.3383 117.8446 58.3076 30.0172 176.5905 19 Q 3.7377 6.7962 116.0145 55.9275 29.2926 177.8469 20 K 4.3796 8.5543 120.3334 56.4593 34.4757 177.1326 21 R 4.5446 7.5072 117.0371 54.2061 33.2046 177.0381 22 A 3.9514 8.2802 123.0478 55.3595 18.5006 180.0144 23 V 3.5888 7.8491 116.3008 66.7343 31.4680 177.8856 24 N 4.4594 8.1729 115.1197 56.1436 38.3299 177.6586 25 R 3.8052 7.6744 119.7818 59.0527 30.3979 178.2667 26 F 4.3554 8.8506 120.8599 62.1298 39.2690 177.0582 27 M 3.8262 8.6029 118.2919 58.3965 31.7598 178.5542 28 L 4.1454 7.9682 120.0451 57.7749 42.1517 178.6147 29 L 3.9729 8.0329 119.7010 57.2294 41.5176 178.7323 30 L 3.9570 7.7062 118.3314 58.2736 41.8988 179.5634 31 S 3.9006 8.2363 112.8327 61.8775 62.0109 176.5884 32 T 3.8099 7.5108 116.4814 66.8580 68.4526 176.0999 33 L 3.9597 8.3747 120.9624 58.2908 40.5800 178.7072 34 Y 3.5048 7.5499 118.8336 61.1046 38.3955 178.9684 35 S 4.2245 7.6396 113.6175 61.3671 62.8603 176.1647 36 L 4.3918 8.3145 122.5172 55.5272 42.2763 177.0057 37 D 4.6048 7.6450 122.6478 51.4409 41.9514 176.1325 38 A 3.4467 8.0847 128.7268 54.6191 18.3475 178.7707 39 Q 3.9083 8.0112 117.6047 59.3391 29.2842 178.0283 40 A 4.0898 9.2812 122.4976 54.6766 18.3422 179.3365 41 F 3.9385 8.4322 119.3467 61.3231 38.9982 176.7807 42 A 4.1113 8.3925 120.4651 55.7696 18.0029 179.6381 43 E 4.1416 8.0919 114.7977 59.1995 28.1676 179.0962 44 A 4.2582 7.7130 122.5189 54.7431 18.2875 179.7247 45 T 3.2463 7.6202 114.0925 66.7993 68.2922 176.4047 46 E 3.8170 7.5130 118.4040 59.7247 29.6158 179.0490 47 S 4.2133 7.4559 109.4426 59.4703 63.4371 173.6696 48 L 4.1816 8.3096 125.4366 54.3811 41.6850 174.8340 49 H 3.6117 7.7792 119.9092 54.6783 30.8286 173.4600 50 G 3.8712 6.6856 108.7604 44.4471 0.0000 173.3247 51 R 4.0387 8.6999 118.8518 59.0912 30.1282 178.2133 52 T 4.5622 7.7127 102.5732 60.7237 70.0888 173.5104 53 R 4.6031 7.6795 121.3647 54.6971 32.3774 175.0629 54 V 4.1989 8.0538 119.3001 62.0114 33.5248 174.9307 55 Y 4.7534 8.5470 123.0210 60.0376 38.8899 175.7788 56 F 5.7661 8.5619 115.3274 55.7599 41.7988 174.0070 57 A 4.5320 8.5472 119.3599 52.0031 22.0467 176.7373 58 A 4.5060 8.7765 120.8031 52.3284 19.1425 177.3426 59 D 4.2227 7.3989 115.4922 50.7644 43.3821 175.5154 60 E 2.9253 6.8502 120.8845 59.3636 29.2383 179.3535 61 Q 3.8002 7.5673 117.1227 59.3635 28.6867 178.3009 62 T 3.8231 9.7804 116.8200 66.9337 68.2074 176.4090 63 L 3.9573 7.1856 119.3928 57.8189 41.8831 178.8142 64 L 4.1232 7.5794 117.5464 58.7087 41.6171 178.9701 65 K 3.8809 8.1961 117.4630 58.5193 32.2082 176.7987 66 N 4.3555 7.5874 120.1428 54.2804 39.6153 172.1453 67 G 3.9093 8.5715 116.9041 45.2132 0.0000 172.2884 68 N 4.6970 8.7971 119.0631 54.1665 38.8747 175.0561 69 Q 4.4624 7.7727 117.9244 54.3059 30.0192 175.1740 70 T 4.5879 7.9362 110.1510 61.0660 71.4635 173.6067 71 K 4.4808 7.8660 121.1363 54.9516 32.0059 173.4654 72 P 4.3885 0.0000 0.0000 61.9052 30.4447 175.2861 73 K 4.2009 9.4030 126.3649 54.5335 33.8513 176.7609 74 H 2.0000 6.8147 123.6157 56.4103 28.7730 175.3075 75 V 3.9257 6.3489 112.9373 61.8435 33.2763 169.6383 76 P 4.1489 0.0000 0.0000 63.4958 31.6055 176.7652 77 G 4.1098 7.0180 105.4085 45.8614 0.0000 172.9835 78 T 4.5500 7.5390 110.8784 59.9707 70.4484 172.4575 79 P 4.7925 0.0000 0.0000 63.4606 31.9511 174.1439 80 Y 4.9417 7.9280 115.9561 57.0918 41.8728 174.3404 81 W 5.0231 9.4280 119.0771 55.1295 33.1944 175.1962 82 V 5.1809 8.1954 121.5589 59.7409 34.8754 174.7936 83 I 4.3500 8.0589 124.1819 61.8059 37.2694 176.2956 84 T 4.4515 8.3731 117.7947 64.0901 71.2990 174.9733 85 N 4.6701 8.0581 119.9334 52.8856 36.5090 172.9729 86 T 4.4389 7.2796 109.7163 58.5667 71.7855 174.7556 87 N 4.6156 8.3609 122.3980 52.6176 39.6879 176.2024 88 T 3.8903 8.3122 116.7769 66.3454 68.6382 176.7475 89 G 3.7527 8.0826 107.4574 48.0646 0.0000 175.5949 90 R 3.9796 8.5466 123.5483 57.9396 29.8161 178.5172 91 K 3.5500 7.3368 118.4611 59.9184 32.2183 177.6411 92 C 4.2465 8.1599 118.1104 61.6901 27.4705 175.5201 93 S 3.8866 8.1030 116.5014 62.3819 62.4960 176.7691 94 M 4.2689 8.6424 122.3436 57.9878 31.5883 178.8006 95 I 3.8692 8.6675 121.0721 64.3151 37.4145 177.5453 96 E 3.9596 8.2673 119.7111 59.8165 29.3299 178.4189 97 H 4.1465 8.4545 117.7645 59.5249 29.9104 177.3824 98 I 3.7556 7.8390 120.1071 64.3140 37.1062 177.9932 99 M 4.3513 8.5074 120.0349 58.1081 31.4279 178.3177 100 Q 3.9873 8.4490 118.5561 59.2561 28.8568 178.7755 101 S 4.6013 7.9393 113.4251 61.6545 62.0331 175.3672 102 M 4.4426 7.7569 118.6201 54.3911 32.6435 175.7008 103 Q 3.4942 9.2804 116.9770 56.9861 26.3365 173.4644 104 F 4.3558 7.8988 115.0403 54.8516 41.5492 174.6975 105 P 4.3540 0.0000 0.0000 62.4321 31.9541 177.2069 106 A 4.0554 8.8995 124.2633 55.1676 17.8660 179.3468 107 E 3.8205 8.1713 117.4741 59.7569 29.7830 177.9242 108 L 3.9298 7.8708 119.5404 58.3140 41.9747 178.7331 109 I 3.6544 7.7971 118.8810 64.7295 37.0494 177.9806 110 E 3.9837 7.9448 116.4128 59.2544 29.5398 178.8842 111 K 4.0208 7.7202 119.6674 59.3481 32.0787 178.9599 112 V 3.5411 8.1809 118.7283 66.4349 31.0099 177.9946 113 C 4.3142 8.4404 113.8291 60.8257 29.1621 175.9013 114 G 3.6834 7.9669 108.3555 47.4505 0.0000 175.1413 115 T 4.3099 7.9848 110.2501 62.9058 69.3335 174.8885 116 I 3.9813 7.3421 126.5831 61.7731 37.0964 175.5962 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 2 P 0.00 4.30 0.00 1.80 1.92 0.00 3.08 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 1.75 1.92 0.00 3 L 7.16 4.49 0.00 1.93 1.82 0.92 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.88 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 0.00 0.00 0.00 5 S 8.01 4.27 0.00 3.91 3.87 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 6 A 7.80 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 7.96 3.94 0.00 1.92 2.32 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.59 0.00 8 R 7.76 3.91 0.00 2.11 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 9 E 8.35 3.97 0.00 2.07 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 2.29 2.61 0.00 10 L 7.26 3.88 0.00 1.51 1.73 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.63 3.66 0.00 1.58 1.62 0.70 0.61 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 12 L 7.41 4.33 0.00 1.68 1.72 0.92 0.93 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 13 S 8.28 4.14 0.00 3.97 4.11 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 0.00 0.00 0.00 0.00 14 D 8.76 4.41 0.00 2.80 2.76 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 15 E 8.16 3.90 0.00 2.05 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 2.41 2.38 0.00 16 Y 8.03 3.87 0.00 3.03 3.02 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 0.00 17 A 8.13 4.10 1.40 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 0.00 0.00 18 E 8.34 3.86 0.00 2.13 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 2.30 2.38 0.00 19 Q 6.80 3.74 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 20 K 8.55 4.38 0.00 1.65 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.45 7.81 21 R 7.51 4.54 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 22 A 8.28 3.95 1.26 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 0.00 0.00 0.00 23 V 7.85 3.59 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 1.15 0.00 0.00 0.92 0.00 0.00 24 N 8.17 4.46 0.00 2.83 2.91 0.00 0.00 7.04 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 25 R 7.67 3.81 0.00 2.00 2.10 0.00 3.24 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.30 0.00 26 F 8.85 4.36 0.00 2.87 3.31 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 27 M 8.60 3.83 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 28 L 7.97 4.15 0.00 1.98 1.88 1.09 0.72 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 29 L 8.03 3.97 0.00 1.96 1.64 1.08 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.71 3.96 0.00 1.66 1.76 -0.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.24 3.90 0.00 4.01 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 32 T 7.51 3.81 4.41 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 1.15 0.00 0.00 33 L 8.37 3.96 0.00 1.70 1.75 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.55 3.50 0.00 1.43 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.22 0.00 4.09 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 36 L 8.31 4.39 0.00 1.73 1.71 1.06 0.89 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 37 D 7.65 4.60 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.08 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.01 3.91 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 40 A 9.28 4.09 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 41 F 8.43 3.94 0.00 3.13 3.21 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 42 A 8.39 4.11 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.09 4.14 0.00 1.96 2.02 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 2.36 2.54 0.00 44 A 7.71 4.26 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 45 T 7.62 3.25 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 1.22 0.00 0.00 46 E 7.51 3.82 0.00 1.99 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 2.40 2.48 0.00 47 S 7.46 4.21 0.00 4.09 4.03 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 0.00 0.00 0.00 48 L 8.31 4.18 0.00 1.26 1.82 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.78 3.61 0.00 2.95 3.07 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 6.69 3.87 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 0.00 0.00 0.00 51 R 8.70 4.04 0.00 1.79 1.97 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 52 T 7.71 4.56 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 53 R 7.68 4.60 0.00 2.04 2.02 0.00 3.24 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 54 V 8.05 4.20 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 0.99 0.00 0.00 55 Y 8.55 4.75 0.00 3.26 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 56 F 8.56 5.77 0.00 2.99 3.32 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 57 A 8.55 4.53 1.33 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 0.00 0.00 58 A 8.78 4.51 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 59 D 7.40 4.22 0.00 2.54 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 60 E 6.85 2.93 0.00 1.16 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 2.09 2.13 0.00 61 Q 7.57 3.80 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 62 T 9.78 3.82 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 1.21 0.00 0.00 63 L 7.19 3.96 0.00 1.60 1.78 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.58 4.12 0.00 1.57 1.73 0.86 1.01 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 65 K 8.20 3.88 0.00 1.82 1.72 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.70 1.60 7.81 66 N 7.59 4.36 0.00 2.78 2.88 0.00 0.00 7.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.57 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 0.00 0.00 0.00 68 N 8.80 4.70 0.00 2.83 2.93 0.00 0.00 6.11 7.39 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 69 Q 7.77 4.46 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 70 T 7.94 4.59 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 1.30 0.00 0.00 71 K 7.87 4.48 0.00 1.72 1.78 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.36 7.81 72 P 0.00 4.39 0.00 2.36 2.22 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 73 K 9.40 4.20 0.00 1.70 1.47 0.00 1.55 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.17 7.81 74 H 6.81 2.00 0.00 2.81 2.95 0.00 6.00 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 75 V 6.35 3.93 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 1.05 0.00 0.00 0.66 0.00 0.00 76 P 0.00 4.15 0.00 1.91 1.86 0.00 3.87 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 77 G 7.02 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.54 4.55 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 0.96 0.00 0.00 79 P 0.00 4.79 0.00 2.10 2.16 0.00 2.93 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 1.82 2.06 0.00 80 Y 7.93 4.94 0.00 3.17 3.34 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 81 W 9.43 5.02 0.00 3.31 3.13 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 82 V 8.20 5.18 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 nan 0.00 0.00 0.79 0.00 0.00 83 I 8.06 4.35 1.69 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.89 0.00 0.00 84 T 8.37 4.45 4.41 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 1.20 0.00 0.00 85 N 8.06 4.67 0.00 2.67 2.74 0.00 0.00 6.78 7.70 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 86 T 7.28 4.44 4.05 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 1.00 0.00 0.00 87 N 8.36 4.62 0.00 2.96 2.97 0.00 0.00 6.21 7.22 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 88 T 8.31 3.89 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 1.16 0.00 0.00 89 G 8.08 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 90 R 8.55 3.98 0.00 1.80 1.79 0.00 3.08 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 91 K 7.34 3.55 0.00 1.54 1.64 0.00 1.52 0.00 0.00 1.02 0.00 0.00 2.56 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.56 0.21 7.81 92 C 8.16 4.25 0.00 3.29 2.76 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 93 S 8.10 3.89 0.00 4.10 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 94 M 8.64 4.27 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.61 0.00 95 I 8.67 3.87 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.13 0.95 0.00 0.00 96 E 8.27 3.96 0.00 2.20 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 2.42 2.42 0.00 97 H 8.45 4.15 0.00 3.44 3.55 0.00 5.85 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 98 I 7.84 3.76 1.90 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 1.40 1.09 0.85 0.00 0.00 99 M 8.51 4.35 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.03 0.00 100 Q 8.45 3.99 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 101 S 7.94 4.60 0.00 3.84 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 0.00 102 M 7.76 4.44 0.00 2.38 2.52 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 103 Q 9.28 3.49 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 104 F 7.90 4.36 0.00 3.06 3.03 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 0.00 0.00 0.00 105 P 0.00 4.35 0.00 2.25 2.20 0.00 3.85 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 2.16 1.99 0.00 106 A 8.90 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 0.00 107 E 8.17 3.82 0.00 2.03 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 2.39 2.33 0.00 108 L 7.87 3.93 0.00 1.97 1.69 1.14 0.88 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 0.00 109 I 7.80 3.65 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.66 0.93 0.00 0.00 110 E 7.94 3.98 0.00 2.16 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 0.00 2.62 2.38 0.00 111 K 7.72 4.02 0.00 1.94 1.89 0.00 1.91 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.60 7.81 112 V 8.18 3.54 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 1.07 0.00 0.00 0.84 0.00 0.00 113 C 8.44 4.31 0.00 3.21 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 0.00 114 G 7.97 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.98 4.31 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 116 I 7.34 3.98 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.90 0.00 0.00