NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2417 8.3144 121.7842 55.8870 33.9510 177.2327 6 C 4.5930 7.5782 118.7042 52.8569 44.7925 172.2363 7 L 3.8984 8.4889 127.4209 57.4637 42.8135 177.3110 8 L 3.9869 7.9123 119.9984 58.2188 41.9500 179.5600 9 C 4.2643 8.0782 115.9682 60.0650 39.9451 176.0618 10 R 3.8528 7.8665 119.2673 59.3181 29.6814 178.2629 11 Y 3.8997 8.2765 119.4224 60.9752 38.2943 178.4332 12 L 4.0725 8.3620 119.7953 57.5255 41.4571 179.4638 13 K 4.0110 8.1253 119.2235 59.5877 32.2394 178.2495 14 E 4.0734 8.0517 118.3699 58.3748 29.7906 177.8994 15 R 4.4224 7.5401 116.1026 55.8512 30.3816 177.7477 16 Q 4.0068 7.5840 120.1398 59.4823 28.7807 179.2345 17 E 4.0350 8.1391 118.6037 59.3022 29.6004 179.2159 18 K 4.0020 8.0383 119.2174 59.3502 32.3142 178.3678 19 F 4.0633 8.7921 121.3745 61.5318 39.2547 177.2373 20 I 4.0003 8.2113 119.4207 64.4035 36.6776 178.3513 21 S 4.1665 8.0922 113.1056 61.5833 62.4126 175.6933 22 D 4.4727 8.2754 121.5726 57.0399 40.4798 178.5566 23 W 4.0251 8.3019 128.9985 60.3347 30.4844 177.6923 24 K 3.3521 8.3453 118.7956 59.5542 31.5843 178.3648 25 K 4.0893 7.6614 117.0516 57.8910 32.1325 177.7049 26 K 4.2932 7.6504 116.8524 56.2257 33.2837 176.8640 27 V 3.7640 6.9842 111.7385 60.0962 32.6903 175.6353 28 I 4.1256 8.3822 123.1296 60.1329 36.6678 176.0581 29 I 4.4909 7.8787 126.0217 59.2493 40.1189 175.7523 30 R 4.2273 8.4170 124.9077 55.3313 30.8688 177.4702 31 E 3.9685 8.7809 123.1372 59.1146 29.7918 177.9804 32 R 4.0516 7.8290 113.1293 57.3144 30.0762 175.9556 33 D 4.4314 8.0454 121.0450 53.4941 41.3330 175.0262 34 P 4.2053 0.0000 0.0000 64.8409 31.7765 176.4379 35 Y 4.8002 8.4790 117.7814 57.4235 38.1799 177.8028 36 K 4.0706 7.9037 123.8730 60.2865 32.3652 178.5524 37 E 3.8791 8.1740 119.3102 59.2522 29.4942 178.8829 38 E 4.1451 8.3341 118.1706 59.1005 29.5134 179.1469 39 I 3.8535 7.8658 120.1845 64.5952 37.1446 178.3807 40 I 4.1161 7.4748 120.0957 64.5485 36.9770 178.6908 41 K 4.3489 7.9456 120.2313 59.0581 31.8057 179.1558 42 N 4.5087 9.0688 117.2655 56.2515 38.4489 177.6631 43 G 3.3775 8.4643 107.1336 47.7751 0.0000 175.5565 44 E 3.9624 8.4991 121.4981 59.3605 29.4987 179.0184 45 H 4.1597 8.4161 118.2206 59.3651 29.9181 177.3799 46 L 4.1528 8.2826 120.8155 57.2532 41.4031 179.2430 47 L 3.7911 8.0502 121.0598 57.9512 42.0161 178.9663 48 S 4.0422 7.9320 113.8770 61.5893 62.6932 176.4227 49 A 3.9750 8.0953 124.4820 54.5636 18.0728 179.2422 50 F 3.0087 8.3109 119.5313 61.1526 39.4140 177.4158 51 I 3.3891 7.5860 119.2158 64.6608 36.8486 178.3206 52 M 3.9985 7.8599 119.4363 58.4964 31.7323 178.2438 53 Y 4.0564 8.2383 120.0188 60.6847 38.7575 178.0321 54 L 3.6227 7.3777 118.8825 57.2553 41.7309 178.7954 55 K 4.0951 7.4077 115.2475 55.7500 32.3437 176.5739 56 E 3.5937 7.6659 117.7769 57.6543 27.0805 175.0390 57 E 4.4394 8.3978 119.0633 56.4599 30.6169 176.1942 58 I 4.8376 7.4027 110.6987 58.8559 41.0204 174.6411 59 S 4.8639 8.5895 115.9615 56.8790 64.8855 175.3813 60 L 3.8182 8.3895 120.9077 57.6842 41.1774 179.6372 61 Q 4.2829 7.5150 118.7135 58.6022 28.1013 178.3784 62 E 4.1206 8.0367 119.3549 57.9549 29.8192 177.9454 63 I 4.1319 7.5469 112.4851 61.4321 37.9755 177.4216 64 E 3.4854 7.9095 121.7114 59.1775 29.2360 178.6339 65 I 3.6451 7.6388 118.4172 64.5652 37.9372 177.9547 66 T 3.8983 7.7465 115.9510 66.6047 68.3678 176.8287 67 S 4.0783 8.0693 117.1754 61.5775 62.8609 176.9531 68 K 4.0931 8.2193 122.5492 58.5169 31.7562 179.4077 69 K 3.8215 7.9109 119.6575 59.4844 32.0909 178.7638 70 I 3.5741 7.9258 120.1541 64.4018 37.0638 178.1421 71 A 3.9359 7.9030 121.5676 55.1943 18.1952 179.8701 72 R 3.7529 7.8935 114.5483 59.4147 29.3507 178.9756 73 E 3.3980 8.0068 119.2443 59.0088 29.4657 179.5205 74 R 3.9889 8.2510 118.4126 59.1794 30.2125 179.0961 75 I 3.7477 7.8722 119.5860 64.7374 36.9243 178.3415 76 D 4.4612 7.9618 117.7549 57.0072 40.7408 178.2906 77 A 4.1683 8.4334 120.3532 52.3638 18.9658 177.1144 78 K 3.8580 7.7552 115.6125 57.9210 30.2603 175.4890 79 V 4.4664 7.1137 109.0073 58.9007 34.6685 175.9819 80 N 4.2705 8.6342 121.0919 53.9369 39.0826 175.7218 81 I 3.5226 8.2329 125.1012 63.6711 37.8228 177.4183 82 A 4.0804 8.6658 121.8485 54.7980 18.0043 179.2637 83 E 3.9345 8.3453 117.7663 59.5746 29.4312 179.1348 84 F 4.2234 8.0871 120.7075 61.2658 39.3496 177.2758 85 I 3.2115 7.6071 118.8972 64.4258 37.0220 177.4975 86 H 4.1177 8.3347 119.1959 59.6532 29.7966 177.0401 87 N 4.1973 8.3881 118.3881 56.4131 38.3142 177.6960 88 T 4.1389 7.9466 117.4901 66.7597 68.4582 176.6636 89 N 4.2439 8.3616 118.5164 55.8946 38.5405 177.5617 90 V 3.5800 7.9082 119.8195 66.0017 31.5236 178.0014 91 A 4.1346 7.8663 119.1060 55.0118 18.1919 179.4212 92 K 3.0399 7.6183 118.0954 59.4443 32.0849 178.9794 93 I 3.6227 7.8524 120.2751 64.3874 36.9584 178.0727 94 E 3.9671 8.1359 119.8894 59.3200 29.3895 178.8699 95 I 3.7868 8.1095 120.0503 64.7049 37.1432 178.3069 96 M 4.0776 8.2858 119.6716 58.4296 31.7452 178.5595 97 N 4.3742 8.2982 116.6700 56.3915 38.7414 177.5679 98 I 3.5611 8.0018 121.3177 64.1055 36.9401 178.0801 99 L 3.9608 7.9142 120.2910 58.5771 42.1727 178.8327 100 T 4.0937 8.0954 115.4555 66.8759 68.2173 176.6774 101 L 4.0632 7.7040 119.4191 57.5152 41.7083 179.1291 102 L 4.0275 7.9199 117.5980 54.8942 42.7577 176.2031 103 N 4.1265 7.8387 117.1936 53.8973 37.4549 171.5290 104 P 4.5128 0.0000 0.0000 62.2087 32.9157 176.7736 105 D 4.6408 8.3143 119.6210 52.6727 41.5292 177.0366 106 L 3.9557 8.3405 120.6346 58.2810 42.0388 178.3990 107 Q 3.9667 8.0965 118.9360 59.3862 29.0504 178.0505 108 Q 3.9567 8.4554 120.3845 59.2861 29.0224 177.4538 109 Y 4.0417 8.3548 120.8090 60.9185 38.8853 178.1953 110 Q 3.9741 8.6645 119.1048 58.8627 28.7273 178.6009 111 A 3.9729 8.0513 121.8038 55.2317 18.3996 179.7568 112 L 3.9310 7.9862 117.5088 57.6833 41.5947 179.7872 113 V 3.4928 7.8117 118.6134 65.6866 31.2972 177.9511 114 K 3.9448 7.9652 119.2797 59.5611 32.0459 178.9786 115 K 4.1765 7.9149 118.4219 59.4531 31.9766 179.3485 116 I 4.2414 8.3477 120.5542 64.7849 37.0551 178.2417 117 N 4.5378 8.6719 117.4889 56.5023 38.3980 177.4879 118 Q 4.0808 8.5893 119.7349 58.8979 28.8160 178.7400 119 F 3.6422 8.5606 121.5194 61.4167 39.5346 177.3142 120 F 4.2050 8.6307 117.4145 60.4634 38.6285 177.4303 121 D 4.5000 8.7162 119.1178 57.7603 40.6029 178.4484 122 H 4.2778 8.2076 118.5877 59.0846 29.8773 176.9019 123 L 3.8378 7.7986 122.1799 58.2893 41.8980 179.1733 124 I 4.0906 8.0526 119.5545 64.5786 37.0408 177.6616 125 Y 4.1200 8.3660 120.5702 61.1303 38.6151 177.6933 126 Y 3.5102 8.4780 120.7039 60.6858 38.7643 178.0662 127 T 3.7502 7.9880 116.8325 66.5292 68.5228 176.9661 128 V 3.5316 7.8450 120.1772 66.0556 31.5390 177.3381 129 H 3.8958 8.0956 118.3540 59.4247 29.0601 177.1453 130 S 3.8535 8.0011 114.9982 61.2187 62.2524 175.2204 131 Y 3.7521 8.0173 122.4733 61.1091 38.2558 178.0640 132 Y 3.8780 7.6266 115.8804 60.7399 37.9826 177.8821 133 E 4.0331 7.9790 119.0876 59.5279 29.6688 179.0562 134 Q 3.9998 8.0102 116.9179 56.9669 29.2538 176.6257 135 K 3.8188 7.0363 120.2442 56.3020 33.0637 176.3623 136 A 4.0165 8.3960 126.4067 52.7920 18.5340 177.3451 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 5 K 8.31 4.24 0.00 1.70 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.42 7.81 6 C 7.58 4.59 0.00 2.96 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 7 L 8.49 3.90 0.00 1.81 1.67 0.96 0.52 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 8 L 7.91 3.99 0.00 1.81 1.65 0.95 1.09 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 9 C 8.08 4.26 0.00 3.13 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 10 R 7.87 3.85 0.00 2.05 2.00 0.00 3.30 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 Y 8.28 3.90 0.00 3.21 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 12 L 8.36 4.07 0.00 1.76 1.63 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.13 4.01 0.00 1.81 1.95 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 14 E 8.05 4.07 0.00 1.93 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 0.00 2.23 2.28 0.00 15 R 7.54 4.42 0.00 1.72 1.83 0.00 3.25 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.00 16 Q 7.58 4.01 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.76 0.00 17 E 8.14 4.03 0.00 2.04 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 0.00 2.43 2.38 0.00 18 K 8.04 4.00 0.00 1.85 2.01 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.53 7.81 19 F 8.79 4.06 0.00 3.29 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 20 I 8.21 4.00 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 1.16 0.00 0.00 21 S 8.09 4.17 0.00 3.94 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 22 D 8.28 4.47 0.00 2.78 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 23 W 8.30 4.03 0.00 3.05 3.35 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 24 K 8.35 3.35 0.00 1.94 2.03 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 25 K 7.66 4.09 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.60 7.81 26 K 7.65 4.29 0.00 1.71 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.31 7.81 27 V 6.98 3.76 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 -0.26 0.00 0.00 0.26 0.00 0.00 28 I 8.38 4.13 1.87 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 1.32 0.61 0.97 0.00 0.00 29 I 7.88 4.49 1.79 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 1.35 0.44 0.89 0.00 0.00 30 R 8.42 4.23 0.00 1.88 1.84 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 31 E 8.78 3.97 0.00 1.89 1.97 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 2.28 2.35 0.00 32 R 7.83 4.05 0.00 1.95 2.03 0.00 3.09 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 33 D 8.05 4.43 0.00 2.80 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 34 P 0.00 4.21 0.00 1.51 1.93 0.00 3.79 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 1.83 1.90 0.00 35 Y 8.48 4.80 0.00 3.24 2.97 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 36 K 7.90 4.07 0.00 1.94 2.09 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.49 7.81 37 E 8.17 3.88 0.00 2.13 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 0.00 2.42 2.49 0.00 38 E 8.33 4.15 0.00 2.32 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 2.62 2.64 0.00 39 I 7.87 3.85 2.18 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 1.66 0.95 1.07 0.00 0.00 40 I 7.47 4.12 2.12 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 1.77 1.06 1.09 0.00 0.00 41 K 7.95 4.35 0.00 1.99 1.92 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 42 N 9.07 4.51 0.00 2.98 2.97 0.00 0.00 6.91 7.69 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 43 G 8.46 3.38 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 0.00 44 E 8.50 3.96 0.00 2.22 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 0.00 2.39 2.55 0.00 45 H 8.42 4.16 0.00 3.29 3.55 0.00 5.78 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 46 L 8.28 4.15 0.00 1.84 1.84 1.03 0.58 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 47 L 8.05 3.79 0.00 1.63 1.70 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.93 4.04 0.00 4.08 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 0.00 49 A 8.10 3.98 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 50 F 8.31 3.01 0.00 1.87 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 51 I 7.59 3.39 1.94 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 1.49 1.11 0.83 0.00 0.00 52 M 7.86 4.00 0.00 2.06 2.23 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 2.80 2.51 0.00 53 Y 8.24 4.06 0.00 3.13 2.90 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 54 L 7.38 3.62 0.00 1.47 1.44 0.55 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.41 4.10 0.00 1.81 1.76 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.51 7.81 56 E 7.67 3.59 0.00 2.03 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 1.97 2.21 0.00 57 E 8.40 4.44 0.00 2.04 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 2.37 2.32 0.00 58 I 7.40 4.84 2.01 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 1.64 0.86 0.96 0.00 0.00 59 S 8.59 4.86 0.00 4.17 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 60 L 8.39 3.82 0.00 1.52 1.49 0.79 -0.04 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 61 Q 7.52 4.28 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 62 E 8.04 4.12 0.00 2.10 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 0.00 2.33 2.30 0.00 63 I 7.55 4.13 1.70 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.48 0.84 0.00 0.00 64 E 7.91 3.49 0.00 1.82 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 1.47 1.87 0.00 65 I 7.64 3.65 1.84 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 1.60 1.32 0.91 0.00 0.00 66 T 7.75 3.90 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 1.23 0.00 0.00 67 S 8.07 4.08 0.00 4.01 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 68 K 8.22 4.09 0.00 1.96 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.67 7.81 69 K 7.91 3.82 0.00 1.80 1.94 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.39 7.81 70 I 7.93 3.57 1.82 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 1.48 0.66 0.58 0.00 0.00 71 A 7.90 3.94 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 72 R 7.89 3.75 0.00 1.94 2.09 0.00 2.69 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 73 E 8.01 3.40 0.00 2.00 1.68 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 1.47 1.93 0.00 74 R 8.25 3.99 0.00 2.07 2.05 0.00 3.39 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 75 I 7.87 3.75 1.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.64 0.74 0.00 0.00 76 D 7.96 4.46 0.00 2.84 2.93 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 77 A 8.43 4.17 1.51 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 78 K 7.76 3.86 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.60 7.81 79 V 7.11 4.47 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 0.75 0.00 0.00 0.99 0.00 0.00 80 N 8.63 4.27 0.00 2.73 2.72 0.00 0.00 6.67 7.95 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 81 I 8.23 3.52 0.56 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 1.00 0.91 0.67 0.00 0.00 82 A 8.67 4.08 1.41 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 0.00 0.00 83 E 8.35 3.93 0.00 2.17 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 0.00 2.36 2.43 0.00 84 F 8.09 4.22 0.00 3.15 3.27 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 0.00 85 I 7.61 3.21 2.01 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 1.60 0.75 0.89 0.00 0.00 86 H 8.33 4.12 0.00 3.15 3.45 0.00 5.61 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 87 N 8.39 4.20 0.00 2.78 2.91 0.00 0.00 7.10 6.75 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 88 T 7.95 4.14 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 1.42 0.00 0.00 89 N 8.36 4.24 0.00 2.90 2.82 0.00 0.00 6.67 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 90 V 7.91 3.58 2.34 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 1.05 0.00 0.00 0.90 0.00 0.00 91 A 7.87 4.13 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 92 K 7.62 3.04 0.00 0.79 1.48 0.00 1.36 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.76 7.81 93 I 7.85 3.62 2.02 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 1.37 0.48 0.90 0.00 0.00 94 E 8.14 3.97 0.00 2.08 2.13 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 2.10 2.54 0.00 95 I 8.11 3.79 1.89 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.93 0.00 0.00 96 M 8.29 4.08 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 97 N 8.30 4.37 0.00 2.95 2.88 0.00 0.00 7.03 7.00 0.00 0.00 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 I 8.00 3.56 1.95 0.00 0.00 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 1.28 1.13 0.31 0.00 0.00 99 L 7.91 3.96 0.00 1.63 1.94 0.96 0.99 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 0.00 100 T 8.10 4.09 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 101 L 7.70 4.06 0.00 1.69 1.69 0.91 1.07 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 0.00 102 L 7.92 4.03 0.00 1.76 1.72 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.84 4.13 0.00 2.79 2.79 0.00 0.00 7.18 7.83 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 0.00 104 P 0.00 4.51 0.00 2.31 2.10 0.00 3.89 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 2.21 2.11 0.00 105 D 8.31 4.64 0.00 2.93 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 0.00 106 L 8.34 3.96 0.00 1.78 1.72 0.95 0.59 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 0.00 107 Q 8.10 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 108 Q 8.46 3.96 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 109 Y 8.35 4.04 0.00 3.19 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 0.00 110 Q 8.66 3.97 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 111 A 8.05 3.97 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 0.00 112 L 7.99 3.93 0.00 1.60 1.67 0.90 0.53 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 0.00 113 V 7.81 3.49 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 1.05 0.00 0.00 0.29 0.00 0.00 114 K 7.97 3.94 0.00 1.90 1.96 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 115 K 7.91 4.18 0.00 1.93 1.84 0.00 1.56 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.51 7.81 116 I 8.35 4.24 2.19 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 2.00 1.25 1.12 0.00 0.00 117 N 8.67 4.54 0.00 3.01 2.96 0.00 0.00 7.10 7.80 0.00 0.00 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 Q 8.59 4.08 0.00 2.52 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 119 F 8.56 3.64 0.00 3.14 3.20 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 0.00 120 F 8.63 4.21 0.00 3.37 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 0.00 121 D 8.72 4.50 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.28 0.00 3.31 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.80 3.84 0.00 1.36 1.72 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.05 4.09 2.10 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 1.35 0.95 1.05 0.00 0.00 125 Y 8.37 4.12 0.00 3.17 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 0.00 126 Y 8.48 3.51 0.00 3.07 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 0.00 127 T 7.99 3.75 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 0.27 0.00 0.00 128 V 7.84 3.53 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 1.15 0.00 0.00 1.11 0.00 0.00 129 H 8.10 3.90 0.00 2.55 2.83 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.00 3.85 0.00 3.77 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 0.00 131 Y 8.02 3.75 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 3.88 0.00 3.14 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 0.00 133 E 7.98 4.03 0.00 1.98 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 2.16 2.03 0.00 134 Q 8.01 4.00 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 135 K 7.04 3.82 0.00 1.18 1.38 0.00 1.26 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.10 7.81 136 A 8.40 4.02 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