NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4555 8.1927 115.4148 57.7850 63.5273 173.7190 4 L 3.7337 8.3845 129.7002 57.6754 41.9901 176.1185 5 C 4.1844 8.9377 120.8491 62.2474 31.7003 175.3104 6 L 4.0571 7.8967 119.5624 57.5275 41.2856 179.1633 7 Q 3.9505 8.2336 119.8002 59.1399 28.9359 178.2384 8 R 4.0842 8.6718 120.0772 59.5320 30.0867 178.5024 9 L 3.9469 8.2434 118.8910 57.8808 41.5654 179.5038 10 Q 4.0880 8.5121 118.3542 58.9900 28.5487 178.7056 11 E 4.0554 8.3174 119.7114 59.4582 29.4114 179.2347 12 E 4.0939 8.6496 119.0198 59.2851 29.4185 179.3363 13 R 4.3147 8.5557 118.9224 59.4795 30.3035 178.4130 14 K 3.9890 8.1962 119.3671 59.5712 32.2286 178.8570 15 K 4.0419 8.5845 119.1078 59.1991 31.7762 179.2000 16 W 4.1220 8.5287 127.7136 60.6884 30.8058 177.9065 17 R 4.2216 8.3837 116.9856 59.1268 29.5307 178.7594 18 K 4.1317 7.8729 118.5392 58.2390 32.6588 176.7487 19 D 4.4746 7.6280 116.3483 53.2788 44.4582 173.6055 20 H 4.3115 7.6757 120.0454 53.1207 31.3717 171.2780 21 P 4.2744 0.0000 0.0000 61.9752 31.6790 176.0880 22 F 4.4283 8.7145 124.2678 59.8711 39.6692 175.6071 23 G 3.6037 8.3577 116.0584 44.9886 0.0000 173.1011 24 F 5.0463 7.9097 117.7781 56.9049 40.5143 174.7102 25 Y 5.4794 8.2059 118.1489 56.0199 41.9199 173.9133 26 A 5.0472 8.8404 119.7646 51.0816 22.1298 175.8005 27 K 3.9754 9.0181 120.2225 54.5781 36.2873 173.6253 28 P 4.0633 0.0000 0.0000 62.9204 31.9807 176.6923 29 V 3.8741 8.6503 116.6592 61.3181 32.9716 175.3442 30 K 4.7585 8.3489 122.1775 55.5142 33.6226 177.2833 31 K 4.3171 9.0070 124.1446 54.9710 33.6985 177.6629 32 A 3.9892 8.4955 122.0768 55.2964 18.1854 178.1418 33 D 4.5386 8.0418 112.5782 53.4487 39.9589 177.3513 34 G 3.9214 8.1609 109.4174 45.1288 0.0000 173.9862 35 S 4.4565 8.1426 114.8243 58.2392 64.7776 173.1213 36 M 4.6313 8.3330 120.1754 54.6841 33.3372 176.0286 37 D 4.6431 9.1358 123.9965 52.8756 41.2104 176.9878 38 L 4.1513 8.6079 126.7026 57.1713 42.0578 178.3351 39 Q 4.5187 8.4460 116.8269 55.8623 29.1340 174.8771 40 K 5.0816 8.5064 120.8412 54.9795 35.4161 174.8827 41 W 5.3070 9.4963 127.4129 54.9716 33.1061 174.3004 42 E 5.1478 9.0706 121.6988 54.8448 31.6670 175.1062 43 A 4.8179 9.0702 124.8580 50.2290 23.6519 174.6961 44 G 3.7734 7.8101 104.7531 44.4686 0.0000 172.0618 45 I 4.2205 8.4250 124.5869 58.2382 39.7294 173.3573 46 P 4.7193 0.0000 0.0000 62.1636 32.0792 176.7146 47 G 4.4476 8.6319 109.7196 45.7383 0.0000 173.3913 48 K 4.4288 8.7353 121.0306 55.3030 32.9949 176.6840 49 E 4.0190 8.7460 124.2449 57.9698 29.9516 177.1422 50 G 4.0399 9.1948 112.8356 45.5575 0.0000 172.6832 51 T 4.8614 7.5090 109.1981 59.3188 71.6444 174.7626 52 N 4.4530 8.8213 118.5606 55.2567 38.7365 176.4193 53 W 4.3857 8.3206 117.7029 57.5769 29.6951 176.3148 54 A 4.2274 7.9020 122.1771 53.9763 18.0443 177.4602 55 G 4.0851 9.2399 109.9283 45.1171 0.0000 173.7371 56 G 3.6371 7.7974 106.3198 45.5421 0.0000 173.1389 57 V 4.5453 8.0742 121.7930 61.0019 33.9120 174.3986 58 Y 4.3963 8.6635 127.4965 55.8888 39.2277 173.5362 59 P 5.0032 0.0000 0.0000 62.4227 33.2596 175.1819 60 I 4.7938 8.7066 115.5496 59.3028 41.5531 173.9126 61 T 4.9646 8.5262 112.9531 59.8740 71.8577 173.2845 62 V 4.3322 8.5657 123.4249 61.2029 34.3046 173.9518 63 E 4.8396 8.7487 128.7468 54.8195 31.6687 174.7766 64 Y 4.4661 8.6507 124.2234 55.7556 39.0157 174.5222 65 P 4.5462 0.0000 0.0000 62.0350 32.4615 176.9775 66 N 4.3944 8.6680 116.0944 56.4910 38.7586 176.2362 67 E 4.2658 8.1385 115.4346 56.9244 29.9102 175.8733 68 Y 4.7283 8.2397 121.5087 56.7646 39.0200 174.3826 69 P 4.0883 0.0000 0.0000 62.7019 32.0297 177.7761 70 S 4.2709 7.9259 116.0751 60.9845 63.0332 174.7447 71 K 4.5637 7.7765 118.3382 53.4618 34.5048 173.9346 72 P 2.9700 0.0000 0.0000 60.8210 32.0190 174.2645 73 P 4.1605 0.0000 0.0000 62.4903 32.4045 175.2030 74 K 4.1947 8.3919 122.9071 55.2510 33.7716 175.3168 75 V 4.6484 8.0754 126.5945 60.9308 34.5214 174.1217 76 K 4.9037 8.5524 126.2468 54.6591 36.3642 176.4619 77 F 4.9692 8.5516 123.4368 55.3032 40.9278 173.0190 78 P 4.7277 0.0000 0.0000 62.4969 32.3510 176.4355 79 A 4.3746 8.7256 126.2059 54.2955 18.5782 178.0420 80 G 4.1107 8.8178 111.8224 44.7494 0.0000 173.7791 81 F 4.0008 8.0881 121.8935 58.8236 39.6935 173.8045 82 Y 4.6107 7.9064 128.7406 56.8476 39.0561 173.8903 83 H 4.6198 7.8955 123.6209 54.6939 32.8932 172.9825 84 P 4.2957 0.0000 0.0000 65.1104 31.5849 177.4090 85 N 4.7557 8.2752 114.3227 52.5679 38.8714 173.7048 86 V 4.7320 7.3865 118.2646 60.8941 33.5281 175.2560 87 Y 4.5543 8.7420 125.3993 57.2364 38.5350 175.2757 88 P 4.3389 0.0000 0.0000 66.0272 31.4750 178.7635 89 S 4.2689 8.0999 110.6024 59.4869 63.5144 174.9715 90 G 4.5956 8.5309 110.2406 46.4125 0.0000 173.5120 91 T 4.4116 7.9405 117.7977 63.9309 69.4507 173.5616 92 I 4.2928 8.4861 128.2027 60.9522 38.1640 174.9962 93 C 4.5552 8.8769 128.5768 57.8502 32.3801 172.8208 94 L 4.5845 8.1104 127.8203 53.3494 45.1049 176.5503 95 S 4.5240 9.0789 120.0608 60.7656 62.8764 176.3662 96 I 3.7956 7.8229 113.8105 62.8947 37.5393 176.8446 97 L 4.5128 7.8994 119.9787 54.2564 41.8239 175.2545 98 N 4.8997 7.7450 119.0993 51.3468 40.2156 175.1950 99 E 4.2145 8.8322 124.2340 59.0290 29.9004 177.3714 100 D 4.7726 8.5476 117.8713 54.6938 43.0640 176.4229 101 Q 4.2871 8.7728 116.5018 56.1809 29.2204 176.3726 102 D 4.8537 6.0500 125.0400 54.0964 42.3741 176.5576 103 W 4.5347 8.0851 129.4685 57.1098 31.3648 175.1668 104 R 4.2576 6.9038 122.7710 53.2766 33.3568 174.5053 105 P 4.2482 0.0000 0.0000 64.6997 31.4086 177.6145 106 A 4.0224 7.4302 118.9468 53.4306 18.6620 177.6497 107 I 3.8047 6.8224 118.0896 61.5859 37.5974 176.6838 108 T 4.7059 8.6814 116.1696 60.2995 71.8228 175.7226 109 L 3.9401 9.0022 123.4244 58.0636 41.9736 179.0230 110 K 4.1296 8.2616 119.2156 59.8001 32.2052 178.6051 111 Q 4.0243 8.1284 118.2249 58.8776 28.5038 178.9330 112 I 3.7278 7.8473 120.7893 64.6417 37.1625 178.9873 113 V 3.6928 8.2173 113.6173 64.4190 31.2666 178.7454 114 L 4.2248 8.2377 119.0530 57.4856 41.4421 179.6611 115 G 3.6190 8.2374 105.8592 47.8720 0.0000 175.9556 116 V 3.5383 7.7797 119.9004 65.5384 31.7050 177.4093 117 Q 4.1299 8.5296 119.7171 59.5463 28.6901 178.2436 118 D 4.3823 8.1990 118.8348 57.2036 41.2300 178.1797 119 L 4.0149 7.7826 120.8957 57.7594 41.7500 178.7801 120 L 3.1114 7.0392 118.3440 57.3870 41.5740 178.2947 121 D 5.0473 7.4174 113.2551 53.6870 42.7451 176.6322 122 S 4.6735 7.5034 111.8120 56.4564 62.6855 171.5190 123 P 4.4589 0.0000 0.0000 62.1253 31.8176 175.6047 124 N 4.8044 9.3772 119.0321 51.2472 39.6202 174.5781 125 P 3.9009 0.0000 0.0000 64.1518 32.0814 176.4302 126 N 4.6307 7.8731 115.5851 53.6200 38.9830 175.7150 127 S 4.3922 7.0220 112.6522 55.8849 63.0839 173.5988 128 P 3.7635 0.0000 0.0000 63.9101 31.1758 176.0685 129 A 4.2557 8.5590 125.9423 51.4502 20.2503 176.2083 130 Q 4.4522 7.5176 116.6077 53.1218 32.1008 174.4862 131 E 4.0241 8.9030 128.4193 58.9617 29.9160 176.8292 132 P 4.3095 0.0000 0.0000 65.9328 31.4027 178.0759 133 A 3.9193 7.8963 121.6421 53.9527 18.2795 179.2743 134 W 4.2987 8.3385 126.9501 60.4259 30.7199 178.2878 135 R 3.7007 8.3242 118.8874 59.5093 29.5666 178.7930 136 S 4.1363 8.3555 115.0634 61.5699 62.6768 176.2034 137 F 3.4952 8.2600 122.7885 60.9703 39.0008 176.6723 138 S 3.9183 7.5056 111.8055 59.2116 63.3788 175.0435 139 R 4.3411 7.9856 120.0528 56.6314 32.3031 176.2029 140 N 4.9449 8.2181 116.2588 50.6309 39.5161 174.2915 141 K 3.8476 8.0165 122.6365 59.1687 32.7122 177.5013 142 A 3.9805 7.8984 120.7189 55.0809 18.5137 179.0455 143 E 3.8549 8.1130 117.4004 59.4093 29.8166 178.1800 144 Y 4.1646 8.2497 119.6161 60.9930 38.8732 177.7932 145 D 4.3162 8.6714 120.2396 57.1772 40.8979 178.7494 146 K 3.8071 7.9213 119.9645 59.3617 32.1069 179.0618 147 K 3.5864 7.6256 118.4835 59.1302 31.7691 179.4429 148 V 2.8063 7.2010 118.3674 65.8202 31.3267 178.1463 149 L 3.8768 7.7514 118.7197 57.6286 41.3805 179.5724 150 L 3.8936 7.7495 119.0977 57.6812 41.6531 179.2691 151 Q 3.9009 8.1780 119.7274 58.9043 28.6897 178.0307 152 A 4.6043 7.9926 122.8988 54.6221 18.7258 179.1021 153 K 3.9647 7.9964 118.0858 59.7011 31.9929 178.6465 154 Q 3.8320 7.8078 118.8503 58.6977 29.0634 177.0878 155 Y 4.6340 7.6635 115.2708 57.0266 38.3172 175.5334 156 S 5.1375 6.9515 115.7123 56.3252 64.5874 174.6309 157 K 4.1701 8.4003 120.2641 56.9251 31.8615 177.2966 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 3 S 8.19 4.46 0.00 4.04 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 4 L 8.38 3.73 0.00 1.85 1.70 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.94 4.18 0.00 3.38 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 6 L 7.90 4.06 0.00 1.76 1.73 0.94 1.05 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 7 Q 8.23 3.95 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 R 8.67 4.08 0.00 1.93 2.18 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.89 0.00 9 L 8.24 3.95 0.00 1.75 1.78 0.77 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.51 4.09 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 11 E 8.32 4.06 0.00 2.26 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 2.50 0.00 12 E 8.65 4.09 0.00 2.14 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 2.58 2.44 0.00 13 R 8.56 4.31 0.00 2.23 2.19 0.00 2.88 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 14 K 8.20 3.99 0.00 1.95 2.06 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 15 K 8.58 4.04 0.00 2.12 1.95 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.67 7.81 16 W 8.53 4.12 0.00 3.66 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 17 R 8.38 4.22 0.00 1.99 2.08 0.00 3.45 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 18 K 7.87 4.13 0.00 1.79 2.11 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.47 7.81 19 D 7.63 4.47 0.00 2.58 2.38 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 20 H 7.68 4.31 0.00 1.40 1.41 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.27 0.00 1.40 1.75 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.70 0.00 22 F 8.71 4.43 0.00 2.98 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 23 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 5.05 0.00 3.18 3.39 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 25 Y 8.21 5.48 0.00 3.13 3.15 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 26 A 8.84 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.02 3.98 0.00 1.57 1.79 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.32 7.81 28 P 0.00 4.06 0.00 1.54 1.78 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 29 V 8.65 3.87 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 0.72 0.00 0.00 0.99 0.00 0.00 30 K 8.35 4.76 0.00 1.60 1.69 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 31 K 9.01 4.32 0.00 1.91 1.75 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.36 7.81 32 A 8.50 3.99 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 33 D 8.04 4.54 0.00 2.79 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 34 G 8.16 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.14 4.46 0.00 3.91 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 36 M 8.33 4.63 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 37 D 9.14 4.64 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 38 L 8.61 4.15 0.00 1.73 1.82 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.45 4.52 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 40 K 8.51 5.08 0.00 1.86 1.79 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 41 W 9.50 5.31 0.00 3.10 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 42 E 9.07 5.15 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 2.27 2.27 0.00 43 A 9.07 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.81 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 45 I 8.42 4.22 1.99 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 1.19 0.89 0.87 0.00 0.00 46 P 0.00 4.72 0.00 1.98 1.85 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 47 G 8.63 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.74 4.43 0.00 1.96 1.85 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.51 7.81 49 E 8.75 4.02 0.00 2.02 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 2.37 2.39 0.00 50 G 9.19 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 51 T 7.51 4.86 4.78 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 1.42 0.00 0.00 52 N 8.82 4.45 0.00 2.64 2.74 0.00 0.00 6.95 7.68 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 53 W 8.32 4.39 0.00 3.49 3.47 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 54 A 7.90 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.24 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 56 G 7.80 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 57 V 8.07 4.55 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 0.89 0.00 0.00 0.88 0.00 0.00 58 Y 8.66 4.40 0.00 3.13 2.72 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 59 P 0.00 5.00 0.00 2.18 2.29 0.00 3.09 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 60 I 8.71 4.79 1.44 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 -0.02 0.00 0.00 61 T 8.53 4.96 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 1.19 0.00 0.00 62 V 8.57 4.33 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 -0.02 0.00 0.00 0.63 0.00 0.00 63 E 8.75 4.84 0.00 1.73 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 2.16 2.13 0.00 64 Y 8.65 4.47 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.55 0.00 2.41 2.14 0.00 3.66 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 2.11 2.00 0.00 66 N 8.67 4.39 0.00 2.75 2.96 0.00 0.00 6.96 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.14 4.27 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 68 Y 8.24 4.73 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.09 0.00 2.16 1.31 0.00 3.62 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 70 S 7.93 4.27 0.00 4.12 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 71 K 7.78 4.56 0.00 1.71 1.55 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.31 7.81 72 P 0.00 2.97 0.00 1.50 0.75 0.00 3.45 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 73 P 0.00 4.16 0.00 1.25 0.66 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 74 K 8.39 4.19 0.00 1.67 1.52 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.25 7.81 75 V 8.08 4.65 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 0.68 0.00 0.00 0.62 0.00 0.00 76 K 8.55 4.90 0.00 1.58 1.58 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.28 7.81 77 F 8.55 4.97 0.00 2.77 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 0.00 0.00 0.00 0.00 78 P 0.00 4.73 0.00 2.37 2.17 0.00 3.72 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 79 A 8.73 4.37 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 80 G 8.82 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 81 F 8.09 4.00 0.00 3.30 3.10 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 82 Y 7.91 4.61 0.00 2.89 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 83 H 7.90 4.62 0.00 3.31 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.30 0.00 2.03 2.30 0.00 2.98 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 1.58 2.07 0.00 85 N 8.28 4.76 0.00 2.75 2.86 0.00 0.00 6.57 7.68 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 86 V 7.39 4.73 2.27 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 1.12 0.00 0.00 1.15 0.00 0.00 87 Y 8.74 4.55 0.00 3.20 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 88 P 0.00 4.34 0.00 2.26 2.22 0.00 3.87 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 89 S 8.10 4.27 0.00 3.99 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 90 G 8.53 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.41 4.46 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 0.00 0.00 0.00 1.28 0.00 0.00 92 I 8.49 4.29 1.71 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.34 0.83 0.00 0.00 93 C 8.88 4.56 0.00 2.60 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 94 L 8.11 4.58 0.00 1.65 1.39 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.08 4.52 0.00 4.12 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 96 I 7.82 3.80 1.97 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 1.44 0.85 0.92 0.00 0.00 97 L 7.90 4.51 0.00 1.74 1.62 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.74 4.90 0.00 2.70 2.82 0.00 0.00 6.88 7.65 0.00 0.00 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 E 8.83 4.21 0.00 2.18 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 2.26 2.35 0.00 100 D 8.55 4.77 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.77 4.29 0.00 2.24 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 102 D 6.05 4.85 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.09 4.53 0.00 3.42 3.08 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 0.00 104 R 6.90 4.26 0.00 1.39 1.43 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 105 P 0.00 4.25 0.00 1.89 2.11 0.00 3.50 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 106 A 7.43 4.02 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 0.00 107 I 6.82 3.80 1.17 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.17 0.97 0.00 0.00 108 T 8.68 4.71 4.31 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 1.28 0.00 0.00 109 L 9.00 3.94 0.00 1.68 1.75 0.60 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.26 4.13 0.00 1.97 1.85 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.43 7.81 111 Q 8.13 4.02 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 112 I 7.85 3.73 2.00 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 1.64 0.86 0.81 0.00 0.00 113 V 8.22 3.69 2.45 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 0.78 0.00 0.00 1.02 0.00 0.00 114 L 8.24 4.22 0.00 1.69 1.73 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.24 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.78 3.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.80 0.00 0.00 117 Q 8.53 4.13 0.00 2.57 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 118 D 8.20 4.38 0.00 2.86 2.72 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 0.00 119 L 7.78 4.01 0.00 1.83 1.76 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.04 3.11 0.00 0.96 0.13 0.75 0.61 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 0.00 121 D 7.42 5.05 0.00 2.71 2.72 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 0.00 122 S 7.50 4.67 0.00 3.89 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 0.00 123 P 0.00 4.46 0.00 1.39 1.57 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.83 0.00 124 N 9.38 4.80 0.00 2.56 2.63 0.00 0.00 6.99 8.03 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 0.00 125 P 0.00 3.90 0.00 2.32 2.54 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 126 N 7.87 4.63 0.00 2.66 2.81 0.00 0.00 6.74 7.57 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 0.00 127 S 7.02 4.39 0.00 3.78 3.71 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 0.00 0.00 0.00 128 P 0.00 3.76 0.00 1.58 0.49 0.00 3.34 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 0.00 129 A 8.56 4.26 0.41 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 0.00 130 Q 7.52 4.45 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 131 E 8.90 4.02 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 132 P 0.00 4.31 0.00 2.50 2.40 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 133 A 7.90 3.92 0.79 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 0.00 0.00 134 W 8.34 4.30 0.00 3.37 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 0.00 135 R 8.32 3.70 0.00 2.09 2.12 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 136 S 8.36 4.14 0.00 4.26 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 0.00 137 F 8.26 3.50 0.00 2.16 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 0.00 138 S 7.51 3.92 0.00 3.57 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 0.00 139 R 7.99 4.34 0.00 1.81 1.92 0.00 3.24 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 140 N 8.22 4.94 0.00 2.63 2.64 0.00 0.00 6.68 6.51 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 0.00 141 K 8.02 3.85 0.00 1.69 1.71 0.00 1.34 0.00 0.00 1.29 0.00 0.00 3.30 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.57 7.81 142 A 7.90 3.98 1.31 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 0.00 0.00 143 E 8.11 3.85 0.00 2.17 2.20 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 2.39 2.35 0.00 144 Y 8.25 4.16 0.00 3.31 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 0.00 145 D 8.67 4.32 0.00 2.89 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 0.00 146 K 7.92 3.81 0.00 1.78 1.86 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 147 K 7.63 3.59 0.00 1.38 0.74 0.00 1.39 0.00 0.00 0.88 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.01 1.23 7.81 148 V 7.20 2.81 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 -0.33 0.00 0.00 0.15 0.00 0.00 149 L 7.75 3.88 0.00 1.72 1.60 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.75 3.89 0.00 1.63 1.55 0.81 0.56 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 0.00 151 Q 8.18 3.90 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 152 A 7.99 4.60 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.00 3.96 0.00 1.92 1.99 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 154 Q 7.81 3.83 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 1.53 2.10 0.00 155 Y 7.66 4.63 0.00 3.13 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 0.00 156 S 6.95 5.14 0.00 4.03 3.78 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 0.00 157 K 8.40 4.17 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81