NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3477 8.3149 120.1358 56.2831 33.3365 174.7184 8 V 4.3350 8.2543 116.7414 58.4490 35.2027 173.3343 9 L 4.4547 9.2661 127.6600 53.4608 43.8668 175.2549 10 K 4.4651 8.6452 127.1415 55.3517 33.5547 175.7275 11 I 4.8836 8.3736 126.1756 59.5647 39.4625 174.8302 12 Q 4.5349 9.2848 128.3727 54.1297 31.2388 174.4208 13 L 4.5499 8.5631 127.3839 54.6618 41.3991 177.2486 14 R 4.3372 9.0098 124.9651 58.1116 30.9571 177.0135 15 S 4.5712 7.8637 111.5966 56.4202 65.7928 174.7093 16 A 4.0816 8.5638 123.8159 54.9331 18.0913 179.0893 17 S 4.2474 7.8176 110.3824 60.1972 63.2280 174.8491 18 A 4.3820 7.7840 123.2044 52.1141 18.7154 176.7414 19 T 4.4248 8.1087 116.3417 61.0568 70.9964 174.6263 20 V 3.6069 8.4793 125.9383 62.7744 31.8638 173.7631 21 P 5.4800 0.0000 0.0000 62.8928 32.1168 175.6077 22 T 4.8365 8.7432 111.2565 59.9722 72.6658 172.8718 23 K 4.4679 8.6327 123.7679 54.5053 33.4478 175.6309 24 G 4.0600 8.9855 116.8719 47.8923 0.0000 171.8854 25 S 4.7396 7.5651 113.2334 55.3787 66.0200 174.7302 26 A 3.9616 8.6035 124.7178 55.1351 18.2740 178.3400 27 T 4.4122 7.3714 103.6048 61.6836 69.3820 174.2555 28 A 4.5833 7.1289 123.6717 51.0057 20.7589 178.1903 29 A 4.0847 8.5954 124.6792 54.7805 18.7454 178.0129 30 G 4.2802 7.3769 99.8496 44.9492 0.0000 171.6955 31 Y 4.8782 8.7708 118.7991 55.7884 40.7726 175.2867 32 D 4.7816 9.3927 124.3908 54.4276 42.4419 175.2419 33 I 4.8183 8.4364 123.3747 59.6950 40.0079 174.1081 34 Y 5.2418 8.5800 123.3439 55.7688 40.6483 175.5746 35 A 4.5116 9.3955 126.4371 52.3865 19.4352 177.9217 36 S 4.8585 9.0196 114.4437 58.3164 64.5083 174.0017 37 Q 4.5684 7.7863 121.0843 54.2360 31.9751 173.8100 38 D 4.6920 8.7412 125.2102 55.6582 41.5679 175.8416 39 I 4.2955 8.5800 119.9102 60.5649 42.1198 172.7605 40 T 4.9681 8.5095 123.7951 61.8733 71.0017 173.7943 41 I 4.4446 8.5971 127.5946 59.0860 38.8617 173.6397 42 P 4.8831 0.0000 0.0000 62.0372 32.7670 175.6693 43 A 4.1812 9.2257 124.4556 54.3912 18.5128 177.4616 44 M 3.8077 8.1658 122.2932 54.9705 31.2094 177.1273 45 G 4.1515 7.9368 108.0185 45.4499 0.0000 171.7710 46 Q 5.1894 8.5061 121.3650 55.6937 32.0659 173.9710 47 G 4.0934 8.4080 104.0887 46.0087 0.0000 172.2780 48 M 5.1089 8.6705 120.4065 53.3675 34.1178 175.5149 49 V 4.3110 8.7250 124.6163 61.3416 33.7865 175.0212 50 S 4.8616 8.6833 124.1403 58.5878 63.6237 174.8468 51 T 4.4580 8.8909 112.5179 60.8113 70.5524 173.8858 52 D 4.4770 8.5559 121.6358 55.0884 39.3932 172.6895 53 I 5.1714 7.5637 109.6068 59.3170 41.2019 174.3414 54 S 5.0284 8.8439 118.7155 56.8440 66.9128 172.9832 55 F 5.5236 7.8610 115.3127 55.8035 41.4628 173.9110 56 T 4.6713 8.8220 116.8298 61.8577 70.5944 174.5444 57 V 4.1347 8.6476 119.8928 60.2607 32.5216 174.6322 58 P 4.4476 0.0000 0.0000 62.2715 32.7359 176.2090 59 V 3.5762 8.3145 121.3288 65.0462 31.7020 176.2933 60 G 4.1145 9.4253 114.8679 45.0736 0.0000 172.2458 61 T 5.8956 7.6494 108.4658 59.0596 71.7854 172.5824 62 Y 4.8980 8.4937 119.4565 55.0458 42.0682 174.5807 63 G 4.0954 8.9959 107.8099 45.3490 0.0000 172.7493 64 R 5.0474 8.4818 128.1359 55.0066 31.7579 175.3159 65 I 4.6211 8.8598 128.5667 60.8113 37.5316 175.1523 66 A 5.0006 8.9285 129.8141 49.0529 22.2318 173.6019 67 P 4.6851 0.0000 0.0000 62.2641 32.2632 176.6039 68 R 4.0427 8.4738 121.4380 56.3353 31.1197 178.0253 69 S 4.2535 8.8636 119.1925 61.6630 62.8816 177.1072 70 G 3.6387 8.0179 107.9508 47.8051 0.0000 175.5857 71 L 3.9123 7.8518 120.4602 57.0649 41.6956 179.2533 72 A 4.1926 7.5168 121.2045 54.6374 18.1607 179.8687 73 V 3.4786 7.3147 114.8551 66.0855 31.7456 177.7840 74 K 4.1751 8.1939 118.1847 58.2172 32.2346 176.7706 75 N 4.7834 7.8265 112.7061 51.4201 40.5390 174.2840 76 G 3.8225 7.8489 106.3205 46.5623 0.0000 172.9873 77 I 4.6331 7.4231 120.0709 59.7962 39.0502 174.8869 78 Q 4.8921 9.2587 128.2174 54.1424 32.2437 174.3687 79 T 4.4316 8.7955 117.0322 61.8816 69.7448 174.3759 80 G 4.0481 8.6341 113.4667 43.6650 0.0000 175.9742 81 A 3.5853 10.0167 124.6428 52.2860 18.2364 178.9251 82 G 3.8844 9.1447 110.3329 47.3330 0.0000 172.4712 83 V 4.5252 7.4251 119.6954 62.0971 31.8365 175.4381 84 V 4.2069 8.9690 130.1754 60.9631 32.9580 174.9512 85 D 4.8748 8.6347 128.2037 54.2565 41.5118 177.8984 86 R 4.0019 8.9302 121.3382 59.2282 30.1748 177.0519 87 D 4.6481 7.9743 114.4211 53.3438 40.3420 175.6340 88 Y 4.2520 7.9281 123.5971 58.0889 38.9861 175.6101 89 T 4.2997 7.7338 115.2849 60.8645 69.6992 173.9776 90 G 3.5053 5.6561 110.5097 43.8855 0.0000 173.0620 91 E 3.9694 8.3396 120.4308 56.1766 29.8834 176.3969 92 V 4.0668 8.4159 127.1891 62.4057 31.4085 175.1492 93 K 4.6851 8.5341 127.4267 55.0534 34.2540 176.4270 94 V 4.1075 8.5170 124.1834 61.6448 33.1326 174.9548 95 V 4.2307 8.2846 128.6659 62.3682 32.8800 174.2938 96 L 5.0543 8.7877 128.4134 52.9448 44.6372 175.3278 97 F 5.2024 9.3422 123.4702 56.0439 41.5452 174.4774 98 N 5.1096 9.0609 122.9481 52.4781 39.7142 174.1037 99 H 4.9099 9.4526 124.1125 56.0908 29.6909 175.6045 100 S 4.7019 8.5779 115.6326 57.1071 65.6378 174.6055 101 Q 4.3785 8.6662 116.6030 56.1950 28.8815 175.7628 102 R 4.7425 7.5464 117.9487 54.0634 31.9697 176.0833 103 D 4.7654 8.8844 123.4410 54.6012 42.0143 175.4999 104 F 5.0375 9.3034 124.7206 56.4994 41.5547 173.9819 105 A 4.4671 8.3434 128.6856 51.0326 19.6916 176.0775 106 I 4.1803 8.5190 124.0097 59.3024 40.1751 175.0745 107 K 4.9763 8.9747 125.9357 53.9488 34.9280 175.9185 108 K 3.9318 8.5149 124.0289 58.7276 32.3329 177.2048 109 G 4.0406 9.2655 114.9233 45.0453 0.0000 173.1137 110 D 4.8727 8.2626 120.9641 53.6067 42.3762 175.9492 111 R 4.2972 8.6562 119.8043 56.3839 29.6553 176.4650 112 V 4.5009 8.5667 116.0648 61.0698 34.1593 174.7386 113 A 4.5342 7.2856 120.6954 51.6067 22.6120 174.5575 114 Q 4.8780 8.7083 114.7890 54.7444 32.7244 173.8539 115 L 4.9821 9.2843 123.6414 53.6572 44.1269 174.9231 116 I 4.5852 8.6126 127.5344 59.7193 39.8226 175.2159 117 L 4.5141 8.4550 127.3341 53.4551 41.1162 174.4296 118 E 4.1722 8.1086 122.7833 55.5537 30.7260 176.1328 119 K 4.9256 8.6718 124.8311 56.3351 32.9657 176.2726 120 I 4.7549 8.5550 117.0058 59.2727 41.4313 175.1382 121 V 3.9668 8.4478 122.9848 62.2401 30.7878 175.1487 122 D 4.8549 8.6554 126.4417 53.2109 40.1359 176.3850 123 D 4.8779 7.9150 118.4644 52.9865 39.8602 175.3610 124 A 4.1936 7.9752 122.7234 52.1764 19.1425 177.9077 125 Q 4.1117 8.5158 124.6820 55.6562 29.7800 175.3926 126 I 4.0336 8.2617 126.6169 60.7204 37.8983 175.3100 127 V 4.2568 8.2126 124.6149 60.8269 33.6859 174.6275 128 V 4.0392 8.3978 127.1525 61.8790 31.6992 175.2170 129 V 4.5595 7.9250 120.0078 59.3157 34.6237 175.8688 130 D 4.5292 8.7569 122.2373 57.0245 40.8943 177.1011 131 S 4.7176 7.4882 110.0326 56.1033 66.2114 173.6800 132 L 4.1545 8.4364 120.0422 55.2678 41.3529 177.2074 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 7 K 8.31 4.35 0.00 1.76 1.84 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.54 7.81 8 V 8.25 4.33 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 0.66 0.00 0.00 0.93 0.00 0.00 9 L 9.27 4.45 0.00 1.35 1.33 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.65 4.47 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.41 7.81 11 I 8.37 4.88 1.89 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 1.21 0.83 0.97 0.00 0.00 12 Q 9.28 4.53 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 13 L 8.56 4.55 0.00 1.57 1.63 0.92 1.01 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 14 R 9.01 4.34 0.00 1.76 1.97 0.00 3.10 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 15 S 7.86 4.57 0.00 3.94 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 16 A 8.56 4.08 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 17 S 7.82 4.25 0.00 3.92 4.13 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 18 A 7.78 4.38 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 19 T 8.11 4.42 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 0.38 0.00 0.00 20 V 8.48 3.61 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 0.83 0.00 0.00 0.93 0.00 0.00 21 P 0.00 5.48 0.00 2.01 2.17 0.00 3.78 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 22 T 8.74 4.84 4.35 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 1.41 0.00 0.00 23 K 8.63 4.47 0.00 1.24 1.53 0.00 0.61 0.00 0.00 0.79 0.00 0.00 2.56 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.17 7.81 24 G 8.99 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 0.00 0.00 0.00 25 S 7.57 4.74 0.00 3.93 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 26 A 8.60 3.96 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 27 T 7.37 4.41 4.21 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 1.19 0.00 0.00 28 A 7.13 4.58 1.17 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 0.00 0.00 29 A 8.60 4.08 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 30 G 7.38 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 0.00 0.00 0.00 0.00 31 Y 8.77 4.88 0.00 2.84 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 32 D 9.39 4.78 0.00 2.35 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 33 I 8.44 4.82 1.87 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 1.35 0.59 0.99 0.00 0.00 34 Y 8.58 5.24 0.00 2.86 2.86 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 35 A 9.40 4.51 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 36 S 9.02 4.86 0.00 3.96 4.13 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 37 Q 7.79 4.57 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 38 D 8.74 4.69 0.00 2.56 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 39 I 8.58 4.30 1.85 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 1.21 1.30 0.88 0.00 0.00 40 T 8.51 4.97 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 1.27 0.00 0.00 41 I 8.60 4.44 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.97 0.00 0.00 42 P 0.00 4.88 0.00 2.15 2.20 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 43 A 9.23 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.17 3.81 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 45 G 7.94 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 46 Q 8.51 5.19 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 47 G 8.41 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.67 5.11 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 49 V 8.73 4.31 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 1.07 0.00 0.00 0.95 0.00 0.00 50 S 8.68 4.86 0.00 3.84 3.84 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 51 T 8.89 4.46 4.34 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 1.34 0.00 0.00 52 D 8.56 4.48 0.00 2.84 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 53 I 7.56 5.17 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.03 0.00 0.00 54 S 8.84 5.03 0.00 3.68 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 55 F 7.86 5.52 0.00 2.94 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 56 T 8.82 4.67 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 1.29 0.00 0.00 57 V 8.65 4.13 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 0.80 0.00 0.00 1.10 0.00 0.00 58 P 0.00 4.45 0.00 2.07 1.98 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 59 V 8.31 3.58 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.43 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 61 T 7.65 5.90 4.29 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 1.22 0.00 0.00 62 Y 8.49 4.90 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 63 G 9.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.48 5.05 0.00 1.57 1.70 0.00 3.21 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 65 I 8.86 4.62 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.95 0.00 0.00 66 A 8.93 5.00 1.20 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 67 P 0.00 4.69 0.00 2.08 2.07 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 68 R 8.47 4.04 0.00 1.86 1.87 0.00 3.08 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 S 8.86 4.25 0.00 3.84 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 70 G 8.02 3.64 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 0.00 71 L 7.85 3.91 0.00 1.57 1.42 0.97 0.78 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 72 A 7.52 4.19 1.36 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 0.00 0.00 73 V 7.31 3.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 74 K 8.19 4.18 0.00 1.79 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 75 N 7.83 4.78 0.00 2.31 2.25 0.00 0.00 7.01 7.26 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 76 G 7.85 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 0.00 0.00 0.00 77 I 7.42 4.63 1.62 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.45 0.82 0.00 0.00 78 Q 9.26 4.89 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 T 8.80 4.43 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 1.23 0.00 0.00 80 G 8.63 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 0.00 0.00 0.00 0.00 81 A 10.02 3.59 0.96 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 0.00 0.00 82 G 9.14 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.43 4.53 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 0.55 0.00 0.00 0.89 0.00 0.00 84 V 8.97 4.21 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 0.86 0.00 0.00 1.02 0.00 0.00 85 D 8.63 4.87 0.00 2.81 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 86 R 8.93 4.00 0.00 1.86 2.04 0.00 3.44 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 87 D 7.97 4.65 0.00 2.85 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 88 Y 7.93 4.25 0.00 3.05 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 89 T 7.73 4.30 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 1.17 0.00 0.00 90 G 5.66 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 0.00 0.00 0.00 91 E 8.34 3.97 0.00 1.92 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 2.32 2.31 0.00 92 V 8.42 4.07 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 0.89 0.00 0.00 0.47 0.00 0.00 93 K 8.53 4.69 0.00 1.68 1.80 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 94 V 8.52 4.11 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 0.79 0.00 0.00 0.97 0.00 0.00 95 V 8.28 4.23 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 0.40 0.00 0.00 0.83 0.00 0.00 96 L 8.79 5.05 0.00 1.57 1.53 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.34 5.20 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.06 5.11 0.00 2.82 2.93 0.00 0.00 6.87 7.45 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 99 H 9.45 4.91 0.00 3.09 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.58 4.70 0.00 3.89 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 0.00 101 Q 8.67 4.38 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 102 R 7.55 4.74 0.00 1.74 1.89 0.00 3.19 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 103 D 8.88 4.77 0.00 2.60 2.64 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 0.00 104 F 9.30 5.04 0.00 2.99 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 0.00 105 A 8.34 4.47 1.11 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 0.00 106 I 8.52 4.18 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.01 0.86 0.00 0.00 107 K 8.97 4.98 0.00 1.63 1.67 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.47 7.81 108 K 8.51 3.93 0.00 1.84 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 109 G 9.27 4.04 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 0.00 0.00 0.00 110 D 8.26 4.87 0.00 2.72 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 0.00 111 R 8.66 4.30 0.00 1.53 1.19 0.00 2.94 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 112 V 8.57 4.50 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 0.79 0.00 0.00 1.01 0.00 0.00 113 A 7.29 4.53 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 0.00 114 Q 8.71 4.88 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 115 L 9.28 4.98 0.00 1.61 1.59 0.67 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.61 4.59 1.78 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 1.20 0.60 0.85 0.00 0.00 117 L 8.46 4.51 0.00 1.51 1.57 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.11 4.17 0.00 1.35 1.86 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 1.99 2.03 0.00 119 K 8.67 4.93 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 120 I 8.55 4.75 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 1.19 0.00 0.00 121 V 8.45 3.97 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 0.86 0.00 0.00 0.95 0.00 0.00 122 D 8.66 4.85 0.00 2.83 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 0.00 123 D 7.92 4.88 0.00 2.77 2.75 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 0.00 124 A 7.98 4.19 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 0.00 125 Q 8.52 4.11 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 126 I 8.26 4.03 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.91 0.00 0.00 127 V 8.21 4.26 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.40 4.04 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 0.87 0.00 0.00 0.93 0.00 0.00 129 V 7.92 4.56 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 0.81 0.00 0.00 0.94 0.00 0.00 130 D 8.76 4.53 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.49 4.72 0.00 3.90 3.77 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 0.00 132 L 8.44 4.15 0.00 1.66 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00