NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4383 8.3349 115.4131 58.0683 64.2329 173.5155 2 K 4.0565 7.7228 119.2318 56.5992 33.1382 175.8587 3 T 4.2863 8.3776 114.5551 62.8265 70.1892 174.4215 4 N 4.5099 7.9669 120.3350 52.5592 39.7723 173.5131 5 P 4.2963 0.0000 0.0000 65.7498 31.4712 178.8947 6 R 3.9615 8.5110 117.2351 58.9887 29.9732 178.7915 7 L 3.9583 8.0343 119.8350 58.1341 42.1647 179.0697 8 S 4.1460 7.9501 114.7759 61.6361 62.7673 176.8532 9 S 4.1031 8.0608 117.9045 61.3342 62.5915 176.2945 10 L 3.8632 8.0253 123.1075 58.4394 41.8786 179.1641 11 I 3.7600 7.8409 119.2947 64.3145 36.9823 178.3612 12 A 4.0226 7.9997 121.6688 55.2140 18.2288 179.4865 13 D 4.2777 8.7089 117.8025 57.4336 40.9762 178.8970 14 L 3.9059 8.4022 119.8843 57.6985 41.5152 179.7908 15 K 4.0779 7.9812 118.0087 59.1980 32.0789 179.2280 16 S 4.0702 8.1288 113.3060 61.3477 62.1943 176.1949 17 A 4.0157 8.1073 123.0718 55.2854 17.9772 179.5561 18 A 4.8166 7.8087 119.0325 54.8230 18.4806 179.5803 19 R 4.1519 8.1426 115.8481 58.5218 30.4708 178.4141 20 S 4.5869 8.1594 113.1537 58.2000 63.6006 173.9737 21 S 4.8310 7.7443 116.5888 56.2270 66.5609 174.6384 22 G 3.8562 8.4782 110.8300 45.2499 0.0000 175.2707 23 G 3.8332 7.6106 106.6509 42.6126 0.0000 172.0398 24 A 4.3185 8.2531 127.5610 53.0892 19.1584 179.2675 25 V 3.4408 7.2298 111.1559 64.1188 31.6682 178.2392 26 W 4.9467 7.7096 118.3617 60.1713 28.9789 178.7095 27 G 3.7195 8.2122 104.8176 47.2878 0.0000 175.3105 28 D 4.2463 7.9147 120.1114 57.5174 41.3701 178.4037 29 V 3.6382 8.7805 119.6828 65.8619 31.5048 177.8618 30 A 3.9951 8.2237 120.5601 55.3057 18.0732 179.4416 31 E 4.1112 7.9271 115.7471 59.5882 29.8232 179.3407 32 R 4.0683 7.9554 118.8251 59.2338 29.9701 178.4524 33 L 3.8827 7.9191 117.7316 57.1911 41.6555 178.8053 34 E 4.1866 7.9476 117.6390 57.6788 29.6194 177.4324 35 K 4.3015 7.1134 117.7250 54.9403 33.0057 174.9800 36 P 4.3331 0.0000 0.0000 62.7924 31.9923 177.7662 37 R 3.4495 8.7587 121.0528 59.3884 30.0997 179.1570 38 R 3.8721 7.9653 112.7187 58.8003 29.3064 177.2823 39 T 4.2849 7.8456 107.2944 62.3083 69.5402 174.9921 40 H 4.3411 8.0580 120.0936 55.5402 29.4563 175.0035 41 A 4.1630 8.1053 123.4033 52.4352 19.5539 176.8027 42 E 4.7566 8.6890 119.9019 54.4301 31.5252 173.9632 43 V 4.4046 8.6404 123.9865 60.9874 34.2331 174.4924 44 N 5.2396 8.5065 124.2123 51.4726 40.4290 176.0158 45 L 4.0980 8.7891 120.9409 58.2085 41.4859 179.9411 46 G 3.7507 7.8743 105.6298 48.0796 0.0000 175.5770 47 R 3.9440 8.0358 120.4319 59.0618 30.0995 178.6859 48 I 3.8340 7.6078 119.4639 64.2510 36.9975 177.7350 49 E 3.9223 8.1177 119.3183 59.2290 29.4967 178.5319 50 R 3.8786 7.4479 117.7946 58.0935 30.1697 176.2460 51 Y 4.8053 7.3430 111.6149 57.2315 39.6001 175.3251 52 A 4.6136 8.0143 123.4526 51.2698 20.1794 176.7056 53 Q 4.6197 8.0756 115.8069 54.2262 31.6172 174.5716 54 E 4.0612 8.6965 119.6830 57.9987 30.0168 176.3553 55 D 4.3786 8.8439 118.8024 55.0308 38.4400 173.3732 56 E 4.6695 7.7470 118.1382 54.3921 31.9635 175.4574 57 T 4.1756 8.4264 125.1597 63.8601 69.8339 173.9332 58 V 4.3089 8.7962 127.5065 62.4735 33.0831 174.6949 59 V 4.8385 9.1687 128.4656 61.2392 33.6240 174.2219 60 V 4.7999 9.0670 129.4104 59.0399 32.8067 174.6918 61 P 4.5811 0.0000 0.0000 62.0250 32.2487 174.6061 62 G 4.1722 6.8140 113.6834 47.4173 0.0000 174.4753 63 K 5.0302 9.3926 126.7579 54.2842 35.8482 174.4477 64 V 4.7428 8.3168 126.4996 61.6108 33.2352 174.8204 65 L 4.9851 9.5041 128.3251 52.7810 44.9846 176.8841 66 G 4.1402 8.5772 106.3367 46.8527 0.0000 174.1946 67 S 4.3626 8.1967 117.8686 59.3774 64.2754 175.3820 68 G 3.8636 8.9892 109.8866 44.6037 0.0000 172.1809 69 V 4.3444 7.9483 116.9531 60.6548 33.8849 174.5137 70 L 4.8703 8.5416 128.2596 53.4438 43.8941 175.4105 71 Q 4.5157 10.1526 125.2709 56.6959 31.1083 176.8583 72 K 3.9958 8.2129 116.2778 56.8769 32.6296 176.9778 73 D 5.5002 8.3696 123.2370 52.7738 40.0863 174.9128 74 V 4.7156 7.8739 115.5605 59.1965 36.4663 174.1006 75 T 4.8945 8.3732 119.0117 62.3631 70.3906 173.7306 76 V 4.8913 9.0590 127.3819 61.0867 34.0320 174.0078 77 A 5.9400 9.7343 129.8600 49.6880 20.8701 175.1496 78 A 5.0042 8.4180 122.6808 49.0971 22.8256 176.8174 79 V 3.5418 8.2405 119.3232 66.2098 32.0818 175.5746 80 D 4.6384 7.1749 116.6774 53.5358 44.4358 174.2754 81 F 5.4367 8.7981 120.1878 55.4034 42.9894 175.1490 82 S 4.3608 8.9680 116.6625 57.9907 64.0715 175.3941 83 G 3.7732 8.9842 107.6844 48.5625 0.0000 176.0867 84 T 3.9029 7.8944 117.3570 66.2291 68.5227 176.1004 85 A 4.0245 7.9494 122.6624 55.6651 18.5284 179.2256 86 E 3.6279 8.4008 117.0300 59.5802 29.2973 179.4628 87 T 3.8369 7.3041 115.1317 66.4438 69.0770 176.4525 88 K 4.6545 8.1882 121.8532 59.0258 32.0993 179.3102 89 I 3.6915 7.9031 119.9000 64.7492 36.9142 178.2628 90 D 4.5730 7.6486 117.2312 57.1600 40.9148 178.9493 91 Q 4.1131 7.9063 118.5165 58.6545 28.8295 178.1809 92 V 4.4039 7.6301 110.5660 61.5757 33.7078 174.9843 93 G 4.1626 7.9504 111.4261 44.7769 0.0000 174.8954 94 E 4.9860 9.8504 126.2009 54.5528 33.3673 172.5872 95 A 4.9655 8.9649 129.1319 50.3945 20.5981 176.3992 96 V 4.6128 9.2797 122.2383 60.9667 35.7675 174.7997 97 S 5.2133 8.5670 119.4365 57.2529 64.5069 175.1384 98 L 3.8502 8.1262 122.5011 58.2294 41.1267 180.0056 99 E 3.8581 7.6892 118.2447 59.1723 29.2328 179.4197 100 Q 3.9779 8.3022 118.2141 58.8468 28.9403 178.0451 101 A 4.0307 8.0102 121.2687 55.6570 18.1051 179.5854 102 I 2.9939 7.3990 116.9416 64.1797 37.0648 177.9393 103 E 4.0867 7.4085 118.0141 58.8386 29.6209 177.8571 104 N 4.6678 8.3066 115.0025 54.3379 40.3036 175.2986 105 N 5.1477 8.2297 119.1842 51.3949 39.9265 172.7950 106 P 4.3875 0.0000 0.0000 66.2150 31.8055 178.3409 107 E 4.0075 8.4989 117.2922 56.8977 30.1841 176.2399 108 G 3.5775 8.6479 108.3541 46.2698 0.0000 172.6006 109 S 4.5005 8.4142 111.3411 57.1524 66.2758 174.4092 110 H 4.0183 8.3379 115.5274 56.3896 25.6082 174.0651 111 V 4.8361 7.1036 116.6704 60.0590 35.1489 175.6674 112 R 4.5718 9.0023 123.8661 54.4495 32.6790 174.5629 113 V 4.4314 8.4004 126.6250 62.7385 32.1351 175.0855 114 I 4.8300 8.8371 128.0780 59.4612 41.2145 175.9120 115 R 4.1723 8.3993 121.5744 56.5390 29.3412 174.7292 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.44 0.00 3.99 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 2 K 7.72 4.06 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.38 4.29 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 4 N 7.97 4.51 0.00 2.80 2.69 0.00 0.00 7.24 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.65 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 2.17 0.00 6 R 8.51 3.96 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.03 3.96 0.00 1.75 1.85 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.95 4.15 0.00 4.08 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 9 S 8.06 4.10 0.00 4.00 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 10 L 8.03 3.86 0.00 1.77 1.82 0.88 0.99 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 11 I 7.84 3.76 2.01 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 1.45 0.93 0.92 0.00 0.00 12 A 8.00 4.02 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 13 D 8.71 4.28 0.00 2.69 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 14 L 8.40 3.91 0.00 1.87 1.92 0.92 0.65 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 15 K 7.98 4.08 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.13 4.07 0.00 4.03 3.95 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 17 A 8.11 4.02 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 18 A 7.81 4.82 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 19 R 8.14 4.15 0.00 1.82 2.01 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 20 S 8.16 4.59 0.00 3.94 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 21 S 7.74 4.83 0.00 4.17 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.48 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 23 G 7.61 3.83 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 0.00 0.00 0.00 24 A 8.25 4.32 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 25 V 7.23 3.44 1.69 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 0.65 0.00 0.00 -0.31 0.00 0.00 26 W 7.71 4.95 0.00 3.33 3.23 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 27 G 8.21 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 0.00 0.00 0.00 28 D 7.91 4.25 0.00 3.08 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 29 V 8.78 3.64 2.30 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 1.02 0.00 0.00 1.10 0.00 0.00 30 A 8.22 4.00 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 31 E 7.93 4.11 0.00 2.17 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 2.36 2.45 0.00 32 R 7.96 4.07 0.00 1.94 2.04 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.92 3.88 0.00 1.64 1.68 0.89 0.66 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 34 E 7.95 4.19 0.00 2.18 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 2.47 0.00 35 K 7.11 4.30 0.00 2.06 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.63 7.81 36 P 0.00 4.33 0.00 2.16 1.96 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.76 3.45 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 38 R 7.97 3.87 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.85 4.28 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 H 8.06 4.34 0.00 3.24 3.25 0.00 5.68 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 41 A 8.11 4.16 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 42 E 8.69 4.76 0.00 1.81 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 2.20 2.28 0.00 43 V 8.64 4.40 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.51 5.24 0.00 2.70 2.93 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.79 4.10 0.00 1.83 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.87 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 47 R 8.04 3.94 0.00 1.98 2.08 0.00 3.18 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 48 I 7.61 3.83 2.04 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 1.58 0.65 0.96 0.00 0.00 49 E 8.12 3.92 0.00 1.99 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 0.00 2.40 2.31 0.00 50 R 7.45 3.88 0.00 1.58 1.35 0.00 2.45 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 51 Y 7.34 4.81 0.00 3.04 2.84 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 52 A 8.01 4.61 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 53 Q 8.08 4.62 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.96 0.00 0.00 0.00 0.00 0.00 2.62 2.40 0.00 54 E 8.70 4.06 0.00 1.99 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 2.60 2.35 0.00 55 D 8.84 4.38 0.00 2.82 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 56 E 7.75 4.67 0.00 1.99 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 2.23 2.28 0.00 57 T 8.43 4.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 58 V 8.80 4.31 2.16 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.17 4.84 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 1.14 0.00 0.00 1.15 0.00 0.00 60 V 9.07 4.80 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 1.02 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.58 0.00 2.23 2.24 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.81 4.17 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 0.00 63 K 9.39 5.03 0.00 1.71 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.32 4.74 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 1.06 0.00 0.00 0.80 0.00 0.00 65 L 9.50 4.99 0.00 1.69 1.55 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.58 4.14 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 0.00 67 S 8.20 4.36 0.00 3.97 3.80 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 68 G 8.99 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 69 V 7.95 4.34 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.54 4.87 0.00 1.60 1.52 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.15 4.52 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.21 4.00 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.83 7.81 73 D 8.37 5.50 0.00 2.86 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.87 4.72 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 0.78 0.00 0.00 1.01 0.00 0.00 75 T 8.37 4.89 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 1.27 0.00 0.00 76 V 9.06 4.89 2.32 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 1.13 0.00 0.00 1.03 0.00 0.00 77 A 9.73 5.94 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 78 A 8.42 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.24 3.54 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.17 4.64 0.00 2.77 2.37 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 81 F 8.80 5.44 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 82 S 8.97 4.36 0.00 3.96 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 83 G 8.98 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 0.00 0.00 0.00 84 T 7.89 3.90 4.27 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 1.23 0.00 0.00 85 A 7.95 4.02 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 0.00 0.00 0.00 0.00 0.00 86 E 8.40 3.63 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 87 T 7.30 3.84 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 88 K 8.19 4.65 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 89 I 7.90 3.69 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.90 0.00 0.00 90 D 7.65 4.57 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 91 Q 7.91 4.11 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 92 V 7.63 4.40 2.24 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 0.74 0.00 0.00 0.98 0.00 0.00 93 G 7.95 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 0.00 0.00 0.00 0.00 94 E 9.85 4.99 0.00 2.00 1.73 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 2.17 2.22 0.00 95 A 8.96 4.97 0.59 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 0.00 0.00 96 V 9.28 4.61 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 1.05 0.00 0.00 0.99 0.00 0.00 97 S 8.57 5.21 0.00 4.22 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 98 L 8.13 3.85 0.00 1.69 1.62 0.99 0.81 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 99 E 7.69 3.86 0.00 1.89 1.94 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 2.29 2.32 0.00 100 Q 8.30 3.98 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 8.01 4.03 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 0.00 102 I 7.40 2.99 1.55 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.58 0.00 0.00 103 E 7.41 4.09 0.00 1.96 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 2.31 2.32 0.00 104 N 8.31 4.67 0.00 2.78 2.89 0.00 0.00 6.74 8.58 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 0.00 105 N 8.23 5.15 0.00 2.90 3.04 0.00 0.00 6.75 7.74 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 0.00 106 P 0.00 4.39 0.00 2.31 2.25 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 107 E 8.50 4.01 0.00 2.14 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 2.42 2.40 0.00 108 G 8.65 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.41 4.50 0.00 3.86 3.80 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 0.00 110 H 8.34 4.02 0.00 3.32 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.10 4.84 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 0.42 0.00 0.00 0.91 0.00 0.00 112 R 9.00 4.57 0.00 2.13 1.80 0.00 3.22 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 113 V 8.40 4.43 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 8.84 4.83 1.91 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 1.49 1.42 0.99 0.00 0.00 115 R 8.40 4.17 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00