NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0948 8.3033 116.4923 55.7885 32.3640 175.2589 1 M 5.0119 9.2450 114.0149 52.3115 34.1490 172.0189 2 K 4.6518 8.9032 124.5659 54.1233 35.4649 174.6210 3 L 4.1047 8.8753 130.0970 55.3400 42.5477 175.8337 4 L 4.6946 8.4741 126.6655 53.0497 43.5647 176.3558 5 E 4.0504 8.5588 122.0951 56.2585 30.5804 177.1126 6 N 4.3960 8.1254 120.4425 51.8764 41.1630 175.0605 7 S 4.1395 8.5921 123.8299 61.3615 62.6128 175.9635 8 S 4.1703 8.0668 117.6732 61.6394 62.5864 176.4681 9 F 4.3141 8.9780 120.8581 60.4450 38.5735 177.5082 10 E 3.9847 8.2047 117.8846 59.4648 29.0707 179.3293 11 A 4.0082 7.7925 119.4402 55.1563 18.7283 179.4503 12 I 3.7841 7.8557 118.3010 64.6770 37.0731 178.4002 13 N 4.3549 8.5302 117.6695 56.4846 38.0942 177.5506 14 S 4.1728 7.9218 115.7741 61.3910 63.0043 176.0119 15 Q 4.3329 7.8069 118.3694 56.3017 29.9203 175.9084 16 L 4.4944 7.5494 122.3117 54.6494 41.4028 175.6738 17 T 5.0552 7.4300 111.0442 60.6282 71.2270 172.7956 18 V 4.3204 8.8531 117.0520 61.1093 32.3913 175.8417 19 E 4.4483 7.9164 121.6209 55.0916 28.5080 175.3473 *22 D 4.3490 8.1333 122.8592 53.5866 41.3359 174.2359 23 A 4.7023 8.3034 124.7068 51.5710 19.5338 176.5038 24 H 4.7076 7.8728 115.0713 55.2065 31.5183 172.6937 25 I 4.3432 8.3924 119.9962 60.9202 37.6240 176.5170 26 I 3.8061 9.1846 128.6400 63.7747 38.2109 176.1860 27 G 4.2026 7.5442 106.4172 46.0920 0.0000 171.5794 28 R 4.8628 7.9490 117.5491 55.1684 33.8867 174.1584 29 I 4.9097 9.0960 125.5973 59.2693 40.3414 174.4673 30 E 5.0111 9.2747 127.0930 54.7757 34.4435 174.1159 31 S 5.4058 8.5972 116.4079 56.8798 65.1462 172.2574 32 Y 5.4027 9.1804 123.6868 56.2614 42.2731 174.5195 33 S 4.8637 9.1029 117.9415 57.6385 65.3626 172.8250 34 C 4.6500 8.6670 120.8476 58.9996 28.8406 173.3619 35 K 4.5701 8.8606 123.5417 54.2179 33.2547 175.0829 36 P 4.3211 0.0000 0.0000 63.3904 31.8204 175.7446 37 L 4.6103 8.0912 121.0875 52.2999 44.5292 176.3603 38 S 4.1732 8.0929 114.8828 58.6049 62.7594 175.1141 39 D 4.4915 8.4822 125.3989 56.5387 40.7719 177.6687 40 K 4.0250 7.9994 117.9452 57.7882 32.1732 176.4566 41 C 4.2457 7.6828 120.7515 58.4905 31.2009 173.1978 42 S 4.4934 8.5103 121.3850 59.0079 64.1371 174.4400 43 R 4.6576 7.2749 119.4200 54.2261 30.5662 175.8089 44 K 3.7627 7.8475 120.8489 59.4966 32.5778 179.2580 45 T 3.9358 7.8576 115.5689 66.6060 68.4932 176.1002 46 L 3.3832 7.6801 121.5953 57.8594 42.0188 178.4041 47 F 3.7414 7.8738 120.4214 61.6722 39.2043 176.8209 48 Y 4.2417 7.9584 116.2640 60.8717 37.5766 178.4265 49 L 3.3067 7.6474 120.1291 57.6299 41.4986 179.6725 50 I 3.5427 7.2403 119.3706 64.2341 37.0039 178.4369 51 A 3.7550 7.7597 121.6358 55.1234 18.0286 179.9506 52 T 3.3101 7.8140 114.5285 66.5026 68.5271 176.8544 53 L 3.5444 7.5799 120.8016 57.8635 41.4067 179.4106 54 N 4.5834 8.2953 116.4756 56.4179 38.2142 177.4268 55 E 3.9950 7.9188 119.1350 59.4289 29.6524 179.0032 56 S 4.3893 7.9001 113.6396 60.0110 62.7664 175.1773 57 F 4.9684 8.1395 118.2210 56.1021 39.4092 175.8794 58 R 4.3602 7.4479 116.5103 56.0148 29.6725 174.5760 59 P 4.7821 0.0000 0.0000 62.9081 31.7968 176.3871 60 D 4.1805 8.0748 120.2372 57.3216 40.8347 176.3042 61 Y 4.7769 7.7091 114.0865 55.9919 41.6865 174.0811 62 D 5.0904 8.3218 121.8404 52.7089 43.6248 175.6706 63 F 4.7548 9.6744 123.1782 57.3162 39.7702 177.5354 64 S 4.0541 8.1920 119.8494 61.3396 62.6142 175.3631 65 T 4.3979 7.7281 107.7624 60.9539 68.8554 174.5495 66 A 4.3694 7.9480 125.4103 52.9684 19.0811 178.0241 67 R 4.5765 9.3244 121.1783 54.6335 31.8438 177.9628 68 S 4.2728 8.8805 115.9631 61.9790 62.7753 175.9196 69 H 4.5836 8.0753 113.5374 56.8299 28.8192 175.4197 70 E 4.3139 8.4632 120.2047 57.0099 29.6449 175.6202 71 F 5.6881 8.1844 117.9994 55.6804 42.2194 174.8112 72 S 4.9645 9.2896 115.6649 56.6063 66.8555 172.7919 73 R 4.6079 8.7960 121.9871 56.0545 30.3569 175.2654 74 E 4.4764 9.1234 126.7423 54.8610 30.2078 175.9107 75 P 4.3570 0.0000 0.0000 64.3752 31.9598 177.0784 76 S 4.5606 7.6132 113.0581 55.3542 65.1563 173.8835 77 L 3.9963 8.6141 130.8399 58.4649 41.9294 178.7862 78 S 3.9883 8.0937 114.5273 61.4351 62.7101 176.4009 79 W 4.0632 8.2958 130.8103 60.4258 30.3680 178.1999 80 V 3.2715 7.6577 118.3044 65.7899 30.8597 178.0382 81 V 3.2808 7.7155 118.1068 66.0145 31.2622 177.6280 82 N 4.1311 8.0270 115.8668 56.2139 38.3742 177.2629 83 A 3.6089 7.6284 122.0871 54.9242 18.3847 179.8077 84 V 3.0633 7.7624 116.9823 66.1582 31.6413 177.9577 85 N 4.6418 8.4974 116.4214 56.6163 38.2620 177.2271 86 C 4.1558 8.0750 118.0144 62.8189 28.0632 176.3360 87 S 3.0941 7.4702 116.4632 61.3156 62.2112 176.8665 88 L 3.7871 7.7494 121.9313 57.5198 41.1209 179.3021 89 F 4.3047 7.7633 120.6355 61.3855 39.0357 177.1431 90 S 3.7397 7.5293 111.7548 60.8463 62.2011 175.4741 91 A 4.3160 7.4738 122.4771 54.2580 19.2332 178.8995 92 V 3.9041 8.2320 115.9141 63.2846 32.4104 177.0566 93 R 3.6840 8.5152 117.8037 57.2954 28.6812 178.8386 94 E 4.2250 8.8372 121.3503 60.2617 28.9887 177.9574 95 D 4.6415 7.9245 117.0462 56.0569 40.8574 177.7440 96 F 4.3016 8.6781 121.8132 60.0460 39.1748 176.7873 97 K 3.6970 7.7153 118.6487 60.0441 31.9096 177.8860 98 D 4.4616 7.9630 118.0609 56.7483 41.0150 178.4354 99 L 3.7573 7.4607 120.8045 57.6204 42.0175 178.4883 100 K 3.2605 7.6576 120.1389 59.2694 31.8817 176.9788 101 P 4.3342 0.0000 0.0000 65.2945 31.3025 178.4970 102 Q 3.8912 7.5530 118.3026 58.9878 28.9891 177.9045 103 L 3.6371 8.1867 121.5570 58.1261 42.0452 179.0757 104 W 4.2885 7.8182 118.6513 59.6685 28.9687 178.2838 105 N 4.3363 8.5596 116.5046 56.3191 38.1629 177.2484 106 A 4.0482 7.9982 122.0098 55.1403 18.5368 179.8258 107 V 3.6579 7.8416 116.7296 66.2766 31.5296 177.6302 108 D 4.3623 8.3419 117.8556 57.6137 40.8201 178.1838 109 E 3.9601 8.1694 117.9573 59.1545 29.4820 178.4866 110 E 4.1333 8.0029 118.3135 58.0127 29.8609 176.8025 111 I 4.4773 7.4345 115.1443 59.0169 39.9087 173.6053 112 C 4.1103 8.4748 121.2407 59.6162 29.5951 172.7727 113 L 3.9979 9.0829 123.9603 57.2871 41.6945 179.5858 114 A 4.1449 7.9998 119.4524 53.9002 18.4426 177.1959 115 E 4.4839 8.0290 114.9941 56.2453 30.6882 175.6639 116 C 4.7487 7.6275 115.5848 60.0835 29.3654 172.9402 117 D 4.7253 8.9045 122.4050 53.7477 42.2929 175.4619 118 I 5.0947 8.0553 122.9646 59.8341 40.3335 174.1635 119 Y 5.5850 9.3599 123.0917 56.3891 42.6785 174.3844 120 S 5.6400 9.8422 115.2002 57.0169 67.0168 171.9789 121 Y 5.1005 8.9804 122.3874 56.1644 40.6451 175.1424 122 N 4.6352 8.6372 124.0050 50.2842 40.9997 172.3614 123 P 4.1635 0.0000 0.0000 62.0303 32.3351 176.6809 124 D 4.5081 9.1571 121.4454 54.2720 41.3691 177.8463 125 L 3.9687 8.4457 122.3967 57.7260 41.7760 178.2126 126 D 4.6011 7.9851 115.8089 54.5877 39.9014 176.6204 127 S 4.5946 7.8997 116.5129 58.1862 63.7054 173.2480 128 D 4.6587 7.9942 120.9342 52.4049 41.2119 175.1493 129 P 4.0444 0.0000 0.0000 64.9497 31.4416 177.7690 130 F 3.9827 7.3954 115.5483 57.6515 39.2643 176.9921 131 G 3.8630 7.2342 108.2113 45.0587 0.0000 173.8189 132 E 4.2976 8.4805 115.8753 55.2906 27.9028 175.3601 133 D 4.6103 8.1927 117.8584 52.1906 40.1108 177.9291 134 G 3.8912 8.1443 106.0204 46.4282 0.0000 174.3611 135 S 4.1058 7.7392 113.2059 57.9047 63.4896 174.4139 136 L 4.3056 8.1896 122.7451 56.3235 42.2995 176.7558 137 W 5.3539 7.0186 114.0098 55.6868 31.3319 173.6300 138 S 5.0419 8.6201 114.0822 57.4567 65.2690 173.3914 139 F 4.8556 8.6619 115.9083 55.6764 41.8914 173.5544 140 N 5.1384 8.3571 116.9957 52.1808 41.4361 172.2726 141 Y 5.4308 8.9596 121.8368 56.1075 41.1126 174.8220 142 F 5.4929 9.5683 121.6628 55.9592 42.4364 174.2423 143 F 5.1310 9.7777 123.8062 56.3594 40.7297 174.4135 144 Y 5.3635 9.5392 127.5253 56.1007 40.8676 174.3479 145 N 5.0382 9.3235 127.8897 52.1812 39.0947 175.8507 146 K 3.7765 8.4205 127.3876 58.9871 32.7232 179.9432 147 R 3.9654 8.0611 118.3950 59.2517 30.1011 177.3657 148 L 4.1281 8.4638 115.8141 55.1051 42.4916 176.6642 149 K 3.9745 7.6307 117.0982 57.0663 30.2077 174.4124 150 R 5.1672 8.2193 116.9518 54.9255 34.6281 174.3457 151 I 5.3992 9.0755 125.5984 59.6971 41.1076 174.3241 152 V 4.9598 9.2601 127.2470 61.6270 33.5230 174.0419 153 F 5.5875 9.7839 130.8674 56.5134 41.8538 173.7009 154 F 5.4183 9.0698 128.5540 56.5735 42.2402 173.5032 155 S 4.7411 8.7696 121.2327 56.6711 65.0661 172.5221 156 C 5.1472 7.7817 123.7599 58.2918 32.7227 173.1060 157 R 3.7612 8.0032 115.6058 55.3562 32.4290 175.1055 158 S 3.6548 6.3866 113.7935 58.7440 62.7217 174.4349 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 8.30 5.09 0.00 3.31 2.73 0.00 5.38 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.25 5.01 0.00 1.84 1.86 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 2.36 2.55 0.00 2 K 8.90 4.65 0.00 1.84 1.68 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 3 L 8.88 4.10 0.00 1.70 1.56 0.48 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.47 4.69 0.00 1.46 1.47 0.91 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 5 E 8.56 4.05 0.00 1.90 1.82 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 2.27 2.25 0.00 6 N 8.13 4.40 0.00 2.26 2.12 0.00 0.00 6.83 7.20 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 7 S 8.59 4.14 0.00 3.90 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 8 S 8.07 4.17 0.00 4.15 3.99 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 9 F 8.98 4.31 0.00 3.11 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 10 E 8.20 3.98 0.00 2.28 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 2.35 2.54 0.00 11 A 7.79 4.01 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 12 I 7.86 3.78 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.73 0.00 0.00 13 N 8.53 4.35 0.00 2.90 2.88 0.00 0.00 7.07 6.87 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 14 S 7.92 4.17 0.00 4.06 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 15 Q 7.81 4.33 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.56 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 16 L 7.55 4.49 0.00 1.83 1.69 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.43 5.06 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 1.29 0.00 0.00 18 V 8.85 4.32 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 0.67 0.00 0.00 0.55 0.00 0.00 19 E 7.92 4.45 0.00 1.96 1.92 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 2.23 2.21 0.00 *22 D 8.13 4.35 0.00 2.65 2.67 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 23 A 8.30 4.70 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 24 H 7.87 4.71 0.00 3.13 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.39 4.34 1.91 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 1.37 0.46 1.02 0.00 0.00 26 I 9.18 3.81 2.02 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 1.15 0.66 0.95 0.00 0.00 27 G 7.54 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 28 R 7.95 4.86 0.00 1.91 1.73 0.00 3.06 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 29 I 9.10 4.91 1.03 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.79 0.14 0.00 0.00 30 E 9.27 5.01 0.00 2.20 1.58 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 2.26 2.32 0.00 31 S 8.60 5.41 0.00 3.83 3.51 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 0.00 0.00 0.00 0.00 32 Y 9.18 5.40 0.00 2.91 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 33 S 9.10 4.86 0.00 3.90 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 34 C 8.67 4.65 0.00 2.63 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 0.00 0.00 0.00 0.00 35 K 8.86 4.57 0.00 1.85 1.79 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.58 7.81 36 P 0.00 4.32 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 37 L 8.09 4.61 0.00 1.36 1.18 -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.09 4.17 0.00 3.78 3.61 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 39 D 8.48 4.49 0.00 2.68 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 40 K 8.00 4.03 0.00 1.68 1.82 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 C 7.68 4.25 0.00 2.70 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 42 S 8.51 4.49 0.00 4.00 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 43 R 7.27 4.66 0.00 1.80 1.80 0.00 3.12 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 44 K 7.85 3.76 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.58 7.81 45 T 7.86 3.94 4.18 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 0.75 0.00 0.00 46 L 7.68 3.38 0.00 1.54 1.66 0.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.87 3.74 0.00 3.09 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 48 Y 7.96 4.24 0.00 2.87 2.55 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 49 L 7.65 3.31 0.00 0.82 0.66 0.15 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.24 3.54 1.51 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.30 0.82 0.00 0.00 51 A 7.76 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.81 3.31 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 0.85 0.00 0.00 53 L 7.58 3.54 0.00 1.41 0.50 -0.05 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.30 4.58 0.00 2.81 2.88 0.00 0.00 7.09 8.52 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 55 E 7.92 3.99 0.00 1.80 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 2.34 2.57 0.00 56 S 7.90 4.39 0.00 3.88 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 57 F 8.14 4.97 0.00 3.73 3.45 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 58 R 7.45 4.36 0.00 1.90 2.14 0.00 3.16 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 0.00 59 P 0.00 4.78 0.00 2.16 2.16 0.00 3.76 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 1.88 1.96 0.00 60 D 8.07 4.18 0.00 2.25 1.63 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 0.00 0.00 0.00 0.00 61 Y 7.71 4.78 0.00 2.81 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 0.00 0.00 0.00 0.00 62 D 8.32 5.09 0.00 2.53 2.41 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 63 F 9.67 4.75 0.00 3.08 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 64 S 8.19 4.05 0.00 3.89 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 65 T 7.73 4.40 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 1.19 0.00 0.00 66 A 7.95 4.37 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.32 4.58 0.00 1.66 1.75 0.00 3.20 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 68 S 8.88 4.27 0.00 4.07 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 69 H 8.08 4.58 0.00 3.32 3.53 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.46 4.31 0.00 2.01 1.71 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 2.22 2.13 0.00 71 F 8.18 5.69 0.00 3.05 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 72 S 9.29 4.96 0.00 3.95 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 0.00 73 R 8.80 4.61 0.00 2.02 1.94 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 E 9.12 4.48 0.00 2.00 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 2.49 2.69 0.00 75 P 0.00 4.36 0.00 1.97 2.06 0.00 3.52 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 1.89 2.01 0.00 76 S 7.61 4.56 0.00 4.03 3.72 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 77 L 8.61 4.00 0.00 1.82 1.63 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.09 3.99 0.00 3.92 3.89 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 0.00 0.00 0.00 79 W 8.30 4.06 0.00 3.47 3.22 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 0.00 80 V 7.66 3.27 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 0.28 0.00 0.00 0.86 0.00 0.00 81 V 7.72 3.28 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 0.33 0.00 0.00 0.14 0.00 0.00 82 N 8.03 4.13 0.00 2.68 2.58 0.00 0.00 6.97 6.64 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 83 A 7.63 3.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.06 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 1.19 0.00 0.00 0.40 0.00 0.00 85 N 8.50 4.64 0.00 2.88 3.05 0.00 0.00 7.10 8.46 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 86 C 8.08 4.16 0.00 2.78 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 87 S 7.47 3.09 0.00 3.35 2.63 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 0.00 0.00 0.00 0.00 88 L 7.75 3.79 0.00 0.64 0.82 1.17 0.96 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 89 F 7.76 4.30 0.00 3.18 3.19 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 90 S 7.53 3.74 0.00 3.80 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 91 A 7.47 4.32 1.52 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 0.00 0.00 92 V 8.23 3.90 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 1.21 0.00 0.00 0.97 0.00 0.00 93 R 8.52 3.68 0.00 2.07 1.71 0.00 3.08 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 94 E 8.84 4.23 0.00 2.09 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 2.54 2.52 0.00 95 D 7.92 4.64 0.00 2.97 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 96 F 8.68 4.30 0.00 3.21 3.37 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 97 K 7.72 3.70 0.00 1.82 1.91 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 98 D 7.96 4.46 0.00 2.75 2.67 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 99 L 7.46 3.76 0.00 1.78 1.75 0.93 0.70 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 0.00 100 K 7.66 3.26 0.00 0.79 1.34 0.00 1.77 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.55 7.81 101 P 0.00 4.33 0.00 2.17 2.06 0.00 3.66 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 2.07 0.00 102 Q 7.55 3.89 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 103 L 8.19 3.64 0.00 1.51 1.64 0.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.82 4.29 0.00 3.43 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 0.00 105 N 8.56 4.34 0.00 2.92 2.89 0.00 0.00 6.88 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 0.00 106 A 8.00 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.66 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 0.69 0.00 0.00 0.44 0.00 0.00 108 D 8.34 4.36 0.00 3.02 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 0.00 109 E 8.17 3.96 0.00 2.14 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 2.35 2.57 0.00 110 E 8.00 4.13 0.00 1.82 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 0.00 2.12 2.36 0.00 111 I 7.43 4.48 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.13 1.07 0.00 0.00 112 C 8.47 4.11 0.00 3.16 2.91 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 0.00 113 L 9.08 4.00 0.00 1.85 1.72 0.97 0.59 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 0.00 114 A 8.00 4.14 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 0.00 115 E 8.03 4.48 0.00 1.94 2.15 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 2.25 2.26 0.00 116 C 7.63 4.75 0.00 3.25 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 0.00 117 D 8.90 4.73 0.00 2.86 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 0.00 118 I 8.06 5.09 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.87 0.77 0.00 0.00 119 Y 9.36 5.59 0.00 3.17 3.12 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 0.00 0.00 0.00 0.00 120 S 9.84 5.64 0.00 3.83 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 0.00 121 Y 8.98 5.10 0.00 3.20 3.14 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 0.00 0.00 0.00 122 N 8.64 4.64 0.00 2.38 2.58 0.00 0.00 7.07 7.99 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 0.00 123 P 0.00 4.16 0.00 2.10 1.96 0.00 3.38 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 124 D 9.16 4.51 0.00 2.70 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 0.00 125 L 8.45 3.97 0.00 1.62 1.72 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.99 4.60 0.00 2.77 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 0.00 127 S 7.90 4.59 0.00 3.83 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 0.00 128 D 7.99 4.66 0.00 2.82 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 0.00 129 P 0.00 4.04 0.00 0.49 1.26 0.00 3.39 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 130 F 7.40 3.98 0.00 2.88 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 0.00 131 G 7.23 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 0.00 132 E 8.48 4.30 0.00 1.95 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 2.26 2.27 0.00 133 D 8.19 4.61 0.00 2.72 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 0.00 134 G 8.14 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.74 4.11 0.00 3.86 3.59 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 0.00 136 L 8.19 4.31 0.00 1.77 1.87 0.96 0.73 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 0.00 137 W 7.02 5.35 0.00 3.38 3.11 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 0.00 138 S 8.62 5.04 0.00 3.52 3.51 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 0.00 0.00 0.00 0.00 139 F 8.66 4.86 0.00 2.43 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 0.00 140 N 8.36 5.14 0.00 2.96 3.01 0.00 0.00 6.83 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.96 5.43 0.00 2.89 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 0.00 142 F 9.57 5.49 0.00 3.19 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 0.00 143 F 9.78 5.13 0.00 3.21 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 0.00 144 Y 9.54 5.36 0.00 3.26 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 0.00 145 N 9.32 5.04 0.00 3.07 2.83 0.00 0.00 6.86 5.57 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 0.00 146 K 8.42 3.78 0.00 1.69 1.67 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.40 0.75 7.81 147 R 8.06 3.97 0.00 1.77 2.14 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 L 8.46 4.13 0.00 1.74 1.76 0.97 1.24 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 0.00 149 K 7.63 3.97 0.00 2.02 1.84 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.39 7.81 150 R 8.22 5.17 0.00 2.08 1.81 0.00 3.21 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 151 I 9.08 5.40 1.99 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 1.26 0.00 0.00 152 V 9.26 4.96 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 1.23 0.00 0.00 1.23 0.00 0.00 153 F 9.78 5.59 0.00 3.28 3.19 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 0.00 154 F 9.07 5.42 0.00 3.23 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 0.00 155 S 8.77 4.74 0.00 3.12 3.42 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 0.00 156 C 7.78 5.15 0.00 1.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.00 3.76 0.00 1.27 1.32 0.00 2.89 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.00 158 S 6.39 3.65 0.00 3.44 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 * Residues marked with a * may have inaccurate shift predictions.