NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3860 8.0976 119.7111 56.3524 31.5571 175.1972 2 N 5.0727 8.5338 116.5357 50.6014 39.1687 171.6855 3 L 5.2824 8.5664 119.7761 54.8172 44.5348 176.1432 4 L 5.1410 9.0002 119.0572 53.3544 45.7795 176.4292 5 T 5.0100 9.2034 113.7163 59.2773 72.6717 173.2136 6 N 4.2442 8.6496 117.4070 55.2560 38.5863 176.3862 7 G 4.0923 9.0045 112.0178 45.2720 0.0000 173.0724 8 E 4.6232 8.3568 119.9118 55.9835 31.6487 175.5433 9 G 4.7099 8.4714 107.6659 46.1954 0.0000 171.7286 10 L 5.0813 9.0079 119.9061 53.2840 44.0131 176.7226 11 Y 4.9042 8.9274 120.9687 56.1850 40.3477 175.0034 12 A 4.2745 7.9402 123.0439 54.5620 18.6519 178.2786 13 G 4.0256 9.4529 112.3981 44.9866 0.0000 173.4917 14 Q 4.5965 8.4115 121.6677 55.8424 30.6440 174.6199 15 S 5.1129 8.4098 117.2235 57.6061 66.4182 172.8343 16 L 4.9926 9.2245 120.6708 53.3195 43.9848 175.6456 17 D 5.4013 9.0526 122.2156 52.8117 44.7806 175.9499 18 V 4.3481 8.6253 116.0306 60.9810 36.2907 174.0828 19 E 3.4512 8.5526 125.8210 57.4400 27.9396 173.6477 20 P 4.5159 0.0000 0.0000 63.9277 31.9005 174.8542 21 Y 5.3069 7.5443 118.3081 58.3848 39.5201 174.1903 22 H 5.2849 9.6668 123.0467 54.8108 33.6631 171.5527 23 F 5.5358 9.5346 129.2162 56.7525 41.2238 173.9575 24 I 5.0206 8.7227 126.6422 59.4118 42.0762 173.9964 25 M 4.5231 8.6185 128.4906 54.2269 32.9039 175.7833 26 Q 4.5600 8.5599 126.0672 55.1080 29.9118 177.2258 27 E 4.2257 8.6627 117.5716 57.9444 29.7194 177.9407 28 D 4.6936 7.9383 118.1970 52.7439 39.9598 177.7628 29 C 3.8521 8.1378 118.2307 57.2317 40.3091 171.4779 30 N 4.7685 8.2593 117.0834 51.7968 40.6542 173.3741 31 L 4.6845 8.1232 128.2766 53.6836 43.6570 175.2306 32 V 4.9183 8.3907 125.8498 60.9257 35.4851 173.5798 33 L 5.4206 8.9052 128.7809 53.7240 44.2470 174.5311 34 Y 5.3470 9.5784 124.0047 56.2682 41.8239 174.2899 35 D 5.2624 9.2621 123.3001 52.6634 43.1938 176.5289 36 H 4.0642 9.0943 127.0012 57.4482 27.6872 176.5841 37 S 4.4601 9.0618 122.8821 59.0508 63.3679 173.4195 38 T 4.4958 8.1041 120.3208 62.3123 68.8795 174.5176 39 S 4.1979 8.8743 121.9920 58.4028 63.8125 173.6764 40 V 4.3450 8.7136 122.9231 63.7360 33.6856 175.2724 41 W 5.2601 7.8344 127.5278 56.1642 34.3003 173.3565 42 A 4.4712 6.3974 123.3494 50.6843 21.5916 177.0798 43 S 3.1372 7.8335 113.9312 57.3555 63.6605 173.8469 44 N 3.9856 6.8523 117.6295 55.4049 36.3046 174.1150 45 T 4.5348 7.8853 107.6974 61.7323 68.5564 173.9873 46 G 3.9527 8.0235 106.1753 45.5114 0.0000 174.4249 47 I 4.5334 8.8041 124.0614 59.5759 41.5741 174.6565 48 L 4.0014 8.6616 127.6625 56.7686 41.7844 177.8604 49 G 3.9678 8.9819 112.1842 45.2723 0.0000 174.1256 50 K 4.1970 7.7281 122.2634 55.3791 30.1785 175.7237 51 K 4.5002 7.1237 122.6989 55.4154 33.8232 176.3400 52 G 3.9159 8.7584 108.2578 45.8014 0.0000 174.3711 53 C 4.8634 7.8260 116.6889 56.5392 37.6341 172.6339 54 K 5.0031 9.0321 118.8847 54.8137 36.3910 175.1963 55 A 5.1536 8.9361 126.0918 50.1242 21.7861 176.0159 56 V 4.9920 8.7612 121.7612 60.0523 35.4136 174.0083 57 L 4.9252 8.9737 127.1833 54.8780 43.2866 176.2055 58 Q 4.7463 8.9790 125.8246 54.2710 30.8757 177.0752 59 S 4.2967 8.7403 115.7387 61.7389 63.1108 175.9739 60 D 4.7411 7.5011 117.1756 52.7937 39.6059 177.5456 61 G 2.7295 7.4689 108.1951 45.0647 0.0000 172.4521 62 N 4.7041 8.3145 119.3496 51.8953 41.0045 173.5400 63 F 5.4316 8.6666 128.5964 57.0322 40.9787 174.4271 64 V 4.6178 8.5002 126.2372 60.9002 35.0469 174.0743 65 V 4.6695 8.3326 126.4033 61.4100 33.5383 174.1461 66 Y 5.3939 9.1674 125.0618 56.2510 41.8960 174.9783 67 D 5.1718 8.8087 121.8545 51.7326 41.2210 176.0679 68 A 4.1522 8.8121 120.7830 55.4205 17.9940 178.0015 69 E 4.0064 8.5496 115.9053 56.0361 29.4186 177.0689 70 G 4.9247 7.8723 119.4951 46.3429 0.0000 172.3695 71 R 4.4316 7.4962 119.6469 54.9411 31.1358 176.5555 72 S 4.5586 8.6242 118.1002 58.8238 63.5380 173.9675 73 L 4.7669 8.2147 120.4552 55.2816 44.5578 176.6014 74 W 4.8802 7.7762 125.4432 56.6676 34.0758 173.0763 75 A 4.9889 6.7220 123.5211 51.3780 20.7684 176.9483 76 S 3.5016 8.2884 116.0161 58.5821 63.6831 173.7780 77 H 4.0811 7.0500 117.2078 57.3989 26.2957 174.7870 78 S 4.7316 7.6307 105.9059 57.5945 63.9114 174.9295 79 V 3.8069 7.7723 120.9362 64.5347 31.6860 175.3344 80 R 4.5296 9.3939 123.9141 55.4693 32.2297 175.4135 81 G 4.0251 8.3246 104.9977 44.3163 0.0000 172.8803 82 N 4.7208 8.0381 116.8172 52.4077 39.5353 175.4642 83 G 3.8657 7.5507 108.4674 46.0247 0.0000 170.1532 84 N 5.7093 7.0078 115.3373 51.0024 41.1849 173.9072 85 Y 5.5135 8.6730 119.9467 56.5134 42.7449 174.6931 86 V 4.8443 8.2196 115.3357 60.5886 35.3321 173.0199 87 L 5.1489 9.0744 125.7294 53.2438 44.6380 175.3550 88 V 4.8130 8.7907 125.4535 59.8129 34.8987 174.4060 89 L 4.4838 8.6642 127.0584 53.9980 42.2492 176.2142 90 Q 4.4293 8.8163 126.5199 54.9037 29.7444 177.4240 91 E 4.2526 8.7374 119.5565 58.7724 29.6110 177.5872 92 D 4.6494 8.1229 117.1208 52.8787 39.6963 177.4191 93 G 3.1791 8.0350 108.4213 45.1249 0.0000 173.3200 94 N 4.5575 8.0377 118.8413 52.4825 40.8804 173.6685 95 V 4.4747 7.7892 123.6894 60.9913 33.5625 174.8439 96 V 4.2532 8.4364 126.7321 61.0606 35.3365 173.7197 97 I 4.8018 7.9444 126.4236 59.7860 38.9948 174.3450 98 Y 4.3373 9.1364 124.9318 59.0953 39.9869 177.0882 99 G 3.2438 8.4551 106.0744 44.3882 0.0000 176.1571 100 S 4.9019 8.8086 110.8482 57.5664 65.9064 172.3543 101 D 4.5175 8.3653 123.3384 53.2166 39.5357 176.1497 102 I 4.3861 7.9151 114.6607 60.5145 39.4043 175.1363 103 W 4.4764 7.8111 127.4837 57.0739 33.0570 172.9129 104 S 4.0523 6.7068 117.0700 57.1454 64.8568 174.6195 105 T 3.4756 7.7957 111.4107 62.2574 69.0024 174.9337 106 G 3.6466 7.7376 109.5628 47.0322 0.0000 173.5504 107 T 4.3636 7.5957 106.7554 60.7627 69.5004 173.9170 108 Y 4.3106 7.2911 120.2889 57.8003 38.8894 175.5124 109 K 4.2413 8.6566 121.6731 56.6238 32.7427 175.9040 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 R 8.10 4.39 0.00 1.93 1.96 0.00 3.26 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 2 N 8.53 5.07 0.00 2.82 3.02 0.00 0.00 5.72 5.79 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 3 L 8.57 5.28 0.00 1.82 1.65 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.00 5.14 0.00 1.59 1.63 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.20 5.01 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 1.25 0.00 0.00 6 N 8.65 4.24 0.00 2.86 2.91 0.00 0.00 6.85 7.64 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 7 G 9.00 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 8 E 8.36 4.62 0.00 2.12 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 2.35 2.42 0.00 9 G 8.47 4.71 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 0.00 0.00 0.00 10 L 9.01 5.08 0.00 1.69 1.69 1.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.93 4.90 0.00 2.87 2.92 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 12 A 7.94 4.27 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 13 G 9.45 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 0.00 0.00 0.00 14 Q 8.41 4.60 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 15 S 8.41 5.11 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.22 4.99 0.00 1.77 1.77 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.05 5.40 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.63 4.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.14 0.00 0.00 19 E 8.55 3.45 0.00 1.70 1.29 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 2.17 2.12 0.00 20 P 0.00 4.52 0.00 1.75 1.96 0.00 2.88 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.60 0.00 21 Y 7.54 5.31 0.00 3.12 2.88 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 22 H 9.67 5.28 0.00 3.29 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.53 5.54 0.00 3.14 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 24 I 8.72 5.02 2.15 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 1.23 1.65 1.06 0.00 0.00 25 M 8.62 4.52 0.00 2.38 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 26 Q 8.56 4.56 0.00 2.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 27 E 8.66 4.23 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 28 D 7.94 4.69 0.00 2.79 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 29 C 8.14 3.85 0.00 3.34 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 30 N 8.26 4.77 0.00 2.85 2.60 0.00 0.00 6.77 6.20 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 31 L 8.12 4.68 0.00 1.43 1.29 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.39 4.92 1.84 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 0.23 0.00 0.00 0.81 0.00 0.00 33 L 8.91 5.42 0.00 2.18 1.75 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.58 5.35 0.00 2.93 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 35 D 9.26 5.26 0.00 2.91 2.71 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 36 H 9.09 4.06 0.00 3.44 2.41 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.06 4.46 0.00 3.90 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 38 T 8.10 4.50 4.50 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 1.29 0.00 0.00 39 S 8.87 4.20 0.00 3.83 3.68 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 40 V 8.71 4.34 2.26 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 0.82 0.00 0.00 1.01 0.00 0.00 41 W 7.83 5.26 0.00 3.39 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 6.40 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.83 3.14 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 44 N 6.85 3.99 0.00 2.84 2.79 0.00 0.00 6.64 7.42 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 45 T 7.89 4.53 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 1.06 0.00 0.00 46 G 8.02 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 0.00 0.00 0.00 47 I 8.80 4.53 1.85 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 1.21 0.58 0.90 0.00 0.00 48 L 8.66 4.00 0.00 1.60 1.64 0.91 1.05 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 49 G 8.98 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 0.00 0.00 0.00 50 K 7.73 4.20 0.00 1.73 2.00 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 51 K 7.12 4.50 0.00 1.76 1.70 0.00 1.69 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 52 G 8.76 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 53 C 7.83 4.86 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.03 5.00 0.00 1.64 1.50 0.00 1.32 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 1.05 7.81 55 A 8.94 5.15 1.09 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 56 V 8.76 4.99 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 0.97 0.00 0.00 1.12 0.00 0.00 57 L 8.97 4.93 0.00 1.94 1.71 1.00 0.54 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 58 Q 8.98 4.75 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 59 S 8.74 4.30 0.00 3.93 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 60 D 7.50 4.74 0.00 2.85 2.89 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 61 G 7.47 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 0.00 0.00 0.00 62 N 8.31 4.70 0.00 2.86 2.68 0.00 0.00 6.74 8.57 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 63 F 8.67 5.43 0.00 3.13 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 64 V 8.50 4.62 1.74 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 -0.02 0.00 0.00 0.86 0.00 0.00 65 V 8.33 4.67 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 0.83 0.00 0.00 0.78 0.00 0.00 66 Y 9.17 5.39 0.00 2.80 2.71 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 67 D 8.81 5.17 0.00 2.66 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 68 A 8.81 4.15 1.32 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 0.00 0.00 69 E 8.55 4.01 0.00 2.24 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 70 G 7.87 4.92 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 71 R 7.50 4.43 0.00 2.36 1.90 0.00 3.15 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 72 S 8.62 4.56 0.00 3.81 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 73 L 8.21 4.77 0.00 1.45 1.66 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 W 7.78 4.88 0.00 3.29 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 75 A 6.72 4.99 0.67 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 0.00 0.00 76 S 8.29 3.50 0.00 3.88 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 77 H 7.05 4.08 0.00 3.13 3.24 0.00 5.61 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 78 S 7.63 4.73 0.00 3.89 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 79 V 7.77 3.81 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 0.79 0.00 0.00 0.89 0.00 0.00 80 R 9.39 4.53 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 81 G 8.32 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 0.00 0.00 0.00 82 N 8.04 4.72 0.00 2.74 2.80 0.00 0.00 7.21 7.98 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 83 G 7.55 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 0.00 0.00 0.00 84 N 7.01 5.71 0.00 2.74 2.65 0.00 0.00 6.72 7.36 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 85 Y 8.67 5.51 0.00 2.79 2.89 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 86 V 8.22 4.84 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 0.74 0.00 0.00 1.03 0.00 0.00 87 L 9.07 5.15 0.00 1.40 1.34 -0.29 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.79 4.81 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 0.96 0.00 0.00 0.95 0.00 0.00 89 L 8.66 4.48 0.00 1.59 1.65 0.80 1.07 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 90 Q 8.82 4.43 0.00 2.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 91 E 8.74 4.25 0.00 1.98 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 2.35 2.42 0.00 92 D 8.12 4.65 0.00 2.76 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 93 G 8.03 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 0.00 0.00 0.00 94 N 8.04 4.56 0.00 2.77 2.55 0.00 0.00 6.54 7.07 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 95 V 7.79 4.47 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 -0.03 0.00 0.00 0.13 0.00 0.00 96 V 8.44 4.25 1.79 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 0.01 0.00 0.00 0.82 0.00 0.00 97 I 7.94 4.80 1.75 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 1.14 0.56 0.97 0.00 0.00 98 Y 9.14 4.34 0.00 2.92 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 99 G 8.46 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.81 4.90 0.00 3.49 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 0.00 101 D 8.37 4.52 0.00 2.80 2.62 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 0.00 102 I 7.92 4.39 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.96 0.00 0.00 103 W 7.81 4.48 0.00 3.19 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 S 6.71 4.05 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.80 3.48 4.12 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 1.20 0.00 0.00 106 G 7.74 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.60 4.36 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 1.11 0.00 0.00 108 Y 7.29 4.31 0.00 3.01 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 0.00 109 K 8.66 4.24 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.58 7.81