NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.3631 8.1114 123.5867 51.7790 19.8869 178.1439 12 G 4.3309 8.4444 106.8189 44.7908 0.0000 172.1626 13 G 3.9090 9.6126 110.9736 43.9367 0.0000 172.8620 14 I 4.1140 8.0438 123.5219 61.1556 37.7458 175.1058 15 H 4.8836 8.7419 124.1225 53.6195 32.2400 173.2717 16 A 4.8922 8.4497 122.1486 52.2367 19.8882 176.6373 17 T 4.9334 8.4823 115.8553 62.5930 73.4277 171.7599 18 D 5.0853 8.5302 120.7942 52.0413 42.3836 174.8436 19 L 4.5824 8.4288 116.3445 55.4289 41.4866 177.6668 20 N 4.6278 7.8615 115.4837 53.8396 39.3518 175.3390 21 D 4.6369 7.8151 119.0518 53.0851 42.7034 176.4755 22 K 3.8925 8.7682 126.6579 59.9631 32.1011 179.3983 23 S 4.1070 8.6787 115.6905 61.4304 62.6680 176.8652 24 V 3.4067 7.9715 120.5131 65.9526 31.3228 177.8745 25 Q 3.9164 8.1866 117.8348 58.9169 28.5671 178.7152 26 R 3.8018 7.9315 119.3657 59.4524 30.0794 178.3512 27 A 3.8976 7.6826 120.3852 55.0335 18.2189 179.3346 28 L 3.0123 7.9633 119.0061 58.0926 42.0639 178.8210 29 D 4.2781 8.3160 119.2409 57.3719 40.7530 178.6447 30 F 4.1480 8.1477 120.8765 61.2401 39.3595 177.1058 31 A 3.3870 7.7224 120.4266 54.8894 18.0475 179.7303 32 I 3.7170 7.7978 118.6899 64.2903 37.1509 178.6408 33 S 4.0270 8.0249 114.0204 61.4598 62.2988 176.0810 34 E 3.7083 7.6650 121.1821 59.2863 29.0236 178.4504 35 Y 3.8566 7.7707 119.5587 61.0754 38.5611 178.3321 36 N 3.7625 7.7596 115.4422 55.7049 38.6377 177.0379 37 K 4.1313 7.8258 118.8753 57.7641 32.6464 178.0499 38 V 4.0629 7.7847 116.1603 64.5788 32.7646 177.0919 39 I 3.6484 7.1921 117.2668 64.0435 37.3134 175.6438 40 N 4.1940 7.7252 119.0570 53.0179 38.9560 174.7773 41 K 4.2914 8.2947 123.7452 56.0874 32.5563 175.9765 42 D 4.5584 7.9554 119.3413 53.9741 41.9830 175.7705 43 E 4.0454 8.6389 121.9218 57.6813 30.0896 175.3075 44 Y 5.0430 8.1147 116.0021 56.4300 40.1036 175.0491 45 Y 4.5381 9.3839 124.3811 57.8670 40.1742 174.4505 46 S 5.4700 8.9065 122.5219 55.7864 65.7421 173.5114 47 R 4.8108 8.4300 119.1650 53.3434 33.2447 172.8026 48 P 4.4802 0.0000 0.0000 62.8925 31.3981 176.3835 49 L 4.5163 8.9914 123.0990 55.9443 43.6116 177.1031 50 Q 4.6585 7.6477 115.4698 54.2396 33.4782 174.4510 51 V 4.9734 8.3038 120.8924 61.6556 35.0535 174.0180 52 M 5.0493 9.1774 126.2380 53.5768 35.5796 174.5138 53 A 5.7502 8.9168 123.0025 49.4739 23.4631 174.3022 54 A 5.2093 8.1950 119.1275 51.2656 22.9146 174.8680 55 Y 5.2469 9.2205 117.3762 55.5180 42.3537 174.0287 56 Q 4.6586 9.0194 120.9636 54.8284 32.9090 173.2524 57 Q 4.8226 8.8504 125.4967 54.6214 30.5820 175.0434 58 I 4.3985 8.2327 117.2659 58.2162 40.5341 174.6901 59 V 3.7391 8.1512 120.5746 64.3915 31.3197 175.8161 60 G 4.2256 9.5396 116.2609 44.7229 0.0000 173.1908 61 G 3.7195 6.7468 105.6358 45.7691 0.0000 171.6966 62 V 4.7688 8.0153 118.7114 61.0498 35.3776 175.4642 63 N 5.2814 9.1624 122.6856 51.5047 41.8813 173.0051 64 Y 4.8243 8.9075 120.8512 56.1863 41.5476 174.1676 65 Y 5.2075 8.7046 121.3354 56.2138 41.1874 174.7411 66 F 5.6126 9.5473 122.4318 55.8171 43.5349 173.8196 67 N 5.1090 9.3668 120.2501 51.6773 40.9165 173.6393 68 V 4.7025 8.6252 124.5105 60.6194 35.0422 174.0206 69 K 4.9961 8.4451 128.4371 54.8892 34.1894 174.9085 70 F 5.2480 9.6735 127.3619 56.0885 41.5655 175.1838 71 G 4.6167 8.9726 107.6955 44.3747 0.0000 171.6892 72 R 4.5841 8.8723 123.4318 56.2174 31.3989 176.5654 73 T 4.6590 8.6664 117.7836 60.8984 71.2397 174.6458 74 T 4.3251 8.1681 110.1491 61.7323 69.3250 173.5333 75 C 5.1537 8.0351 120.2582 55.6442 43.6175 173.5602 76 T 4.5417 8.2798 113.0103 60.7106 69.6318 175.9207 77 K 4.0074 8.1611 122.6497 59.6292 32.1141 178.7906 78 S 4.2319 7.8115 111.1038 59.5293 63.3718 174.0991 79 Q 4.0851 7.6075 123.0931 55.1824 29.3529 173.7166 80 P 4.3639 0.0000 0.0000 61.8483 32.3699 176.1735 81 N 3.9375 8.1350 111.5082 54.9163 36.8879 173.8693 82 L 4.5351 7.3804 125.5791 53.6388 43.3913 176.5873 83 D 4.6173 8.8207 120.7340 55.2960 38.7617 173.4502 84 N 4.9178 8.0695 113.7584 52.5278 38.1867 173.3704 85 C 4.6028 8.0001 117.4919 56.0566 35.2046 171.8862 86 P 4.4500 0.0000 0.0000 62.8729 32.1211 175.9162 87 F 4.6879 8.6091 119.7783 57.3094 40.1329 175.4218 88 N 4.5702 9.4680 121.8224 52.9362 37.5951 174.7547 89 D 4.5368 8.5175 125.5277 54.5769 40.6655 177.1308 90 Q 3.9322 7.7557 119.3874 55.8151 29.1591 174.7992 91 P 4.4710 0.0000 0.0000 63.8522 31.9535 174.8860 92 K 4.3096 9.1259 122.6576 56.1394 31.3464 176.6742 93 L 4.3610 7.2981 114.7906 54.1802 42.1917 176.3238 94 K 4.2634 7.8623 120.7259 55.9565 31.9069 175.1801 95 E 4.8236 8.6680 126.4501 54.6729 32.1016 175.1667 96 E 5.8490 8.6345 122.2898 53.9318 34.2816 174.2260 97 E 5.1019 8.6961 121.3036 55.1036 33.6398 173.1014 98 F 5.4420 9.3207 128.8692 56.9128 41.6879 173.7403 99 C 5.3682 8.5903 122.7436 54.9813 42.9481 172.8781 100 S 5.0464 8.3003 115.9853 56.6208 65.2999 172.8936 101 F 5.5693 9.6925 122.4960 55.7816 42.6313 174.4706 102 Q 4.9761 9.4436 121.0882 54.5369 31.4475 174.3694 103 I 5.0356 9.0779 125.7451 59.3682 40.5523 174.3499 104 N 5.4913 9.1773 125.0179 51.8364 41.5451 172.8690 105 E 4.9456 9.3379 126.2775 54.5247 33.9254 174.5015 106 V 3.4808 8.1960 126.7702 60.2709 31.7383 174.0509 107 P 3.8407 0.0000 0.0000 66.1190 31.8994 177.8518 108 W 4.5236 7.7643 114.5688 58.1315 28.0875 176.3584 109 E 4.5510 7.6959 115.7024 55.2461 30.8400 174.8574 110 D 4.3156 8.0204 116.4730 55.1057 39.9387 172.6178 111 K 4.5862 7.2229 114.4837 54.1789 34.5402 175.4752 112 I 5.0094 7.8654 123.5095 59.9034 41.0571 173.5087 113 S 4.7677 8.9102 121.8240 57.4781 67.0425 173.1192 114 I 4.6427 8.4962 121.7657 60.2474 37.0069 175.9041 115 L 4.2704 9.0684 129.0793 57.7585 42.1286 177.0578 116 N 4.8666 8.1854 114.4926 53.5024 42.2956 172.5489 117 Y 5.7840 7.8583 118.2195 56.9809 41.0612 174.2589 118 K 4.4920 8.2061 121.8002 55.4790 36.1714 174.7007 119 C 5.6399 8.9831 122.1355 55.5322 44.4507 173.9095 120 R 4.7900 9.0043 119.8279 54.6438 34.6800 174.6028 121 K 4.2666 8.9281 125.9245 56.6220 33.0149 176.7623 122 V 3.9607 8.1591 125.6326 63.0356 31.4292 175.1949 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 11 A 8.11 4.36 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 12 G 8.44 4.33 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 0.00 13 G 9.61 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.04 4.11 1.71 0.00 0.00 0.49 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 0.48 0.77 0.00 0.00 15 H 8.74 4.88 0.00 2.18 3.01 0.00 5.80 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 16 A 8.45 4.89 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 17 T 8.48 4.93 4.43 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 1.29 0.00 0.00 18 D 8.53 5.09 0.00 2.78 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 19 L 8.43 4.58 0.00 1.69 1.74 0.91 1.08 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 20 N 7.86 4.63 0.00 2.92 2.87 0.00 0.00 6.77 7.94 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 21 D 7.82 4.64 0.00 2.71 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 22 K 8.77 3.89 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 23 S 8.68 4.11 0.00 4.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.97 3.41 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 1.43 0.00 0.00 1.09 0.00 0.00 25 Q 8.19 3.92 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 26 R 7.93 3.80 0.00 1.83 2.00 0.00 3.04 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 1.54 1.60 0.00 27 A 7.68 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.96 3.01 0.00 1.08 1.55 0.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.32 4.28 0.00 2.87 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 30 F 8.15 4.15 0.00 3.05 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 31 A 7.72 3.39 0.53 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 0.00 0.00 32 I 7.80 3.72 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 1.00 0.00 0.00 33 S 8.02 4.03 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.67 3.71 0.00 1.57 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 1.63 0.00 35 Y 7.77 3.86 0.00 2.94 2.81 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 36 N 7.76 3.76 0.00 2.87 2.89 0.00 0.00 7.14 7.61 0.00 0.00 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 K 7.83 4.13 0.00 1.63 1.78 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 38 V 7.78 4.06 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 0.83 0.00 0.00 0.86 0.00 0.00 39 I 7.19 3.65 1.62 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.32 0.84 0.00 0.00 40 N 7.73 4.19 0.00 1.44 1.87 0.00 0.00 7.30 5.29 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 41 K 8.29 4.29 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.40 7.81 42 D 7.96 4.56 0.00 2.64 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 43 E 8.64 4.05 0.00 1.92 1.65 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 1.91 2.13 0.00 44 Y 8.11 5.04 0.00 3.08 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 45 Y 9.38 4.54 0.00 3.01 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 46 S 8.91 5.47 0.00 3.79 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 47 R 8.43 4.81 0.00 1.91 2.06 0.00 3.01 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.37 0.00 48 P 0.00 4.48 0.00 1.86 1.71 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 49 L 8.99 4.52 0.00 1.45 1.51 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.65 4.66 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 51 V 8.30 4.97 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 0.91 0.00 0.00 0.81 0.00 0.00 52 M 9.18 5.05 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 53 A 8.92 5.75 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 54 A 8.20 5.21 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 55 Y 9.22 5.25 0.00 2.77 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 Q 9.02 4.66 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 57 Q 8.85 4.82 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 58 I 8.23 4.40 1.90 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 1.29 1.26 0.94 0.00 0.00 59 V 8.15 3.74 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 0.85 0.00 0.00 0.97 0.00 0.00 60 G 9.54 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 0.00 0.00 0.00 61 G 6.75 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 62 V 8.02 4.77 1.81 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 0.50 0.00 0.00 0.85 0.00 0.00 63 N 9.16 5.28 0.00 2.58 2.08 0.00 0.00 6.95 8.13 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 64 Y 8.91 4.82 0.00 2.70 2.19 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 65 Y 8.70 5.21 0.00 2.88 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 66 F 9.55 5.61 0.00 3.26 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.37 5.11 0.00 2.80 3.10 0.00 0.00 6.25 7.25 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 68 V 8.63 4.70 1.70 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 -0.05 0.00 0.00 0.88 0.00 0.00 69 K 8.45 5.00 0.00 2.02 1.62 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 70 F 9.67 5.25 0.00 2.90 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 71 G 8.97 4.62 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 72 R 8.87 4.58 0.00 2.01 1.86 0.00 3.32 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 73 T 8.67 4.66 4.33 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 1.17 0.00 0.00 74 T 8.17 4.33 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 1.18 0.00 0.00 75 C 8.04 5.15 0.00 3.11 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 76 T 8.28 4.54 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 0.90 0.00 0.00 77 K 8.16 4.01 0.00 1.76 1.93 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.62 1.55 7.81 78 S 7.81 4.23 0.00 3.92 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 79 Q 7.61 4.09 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 80 P 0.00 4.36 0.00 2.03 1.92 0.00 3.82 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 81 N 8.14 3.94 0.00 2.68 2.70 0.00 0.00 6.87 7.78 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 82 L 7.38 4.54 0.00 1.19 0.69 0.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.82 4.62 0.00 2.93 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 84 N 8.07 4.92 0.00 2.78 2.86 0.00 0.00 6.93 7.27 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 85 C 8.00 4.60 0.00 2.89 3.06 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 86 P 0.00 4.45 0.00 2.13 2.18 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 87 F 8.61 4.69 0.00 2.96 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 88 N 9.47 4.57 0.00 2.63 2.76 0.00 0.00 7.18 6.86 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 89 D 8.52 4.54 0.00 2.84 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 90 Q 7.76 3.93 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 91 P 0.00 4.47 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 92 K 9.13 4.31 0.00 1.78 2.20 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.47 7.81 93 L 7.30 4.36 0.00 1.80 1.61 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.86 4.26 0.00 1.87 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.61 7.81 95 E 8.67 4.82 0.00 1.97 1.88 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 2.48 2.29 0.00 96 E 8.63 5.85 0.00 1.90 1.87 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 2.29 2.12 0.00 97 E 8.70 5.10 0.00 2.15 1.92 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 2.44 2.56 0.00 98 F 9.32 5.44 0.00 3.14 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 99 C 8.59 5.37 0.00 2.40 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 0.00 0.00 0.00 0.00 100 S 8.30 5.05 0.00 3.87 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 0.00 101 F 9.69 5.57 0.00 3.25 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 0.00 102 Q 9.44 4.98 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 103 I 9.08 5.04 2.10 0.00 0.00 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 1.37 1.30 1.11 0.00 0.00 104 N 9.18 5.49 0.00 2.87 2.64 0.00 0.00 6.39 8.10 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 0.00 105 E 9.34 4.95 0.00 2.06 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 2.15 2.28 0.00 106 V 8.20 3.48 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 0.16 0.00 0.00 0.74 0.00 0.00 107 P 0.00 3.84 0.00 2.22 2.01 0.00 2.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 108 W 7.76 4.52 0.00 3.38 3.37 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 0.00 109 E 7.70 4.55 0.00 1.80 1.88 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 2.36 2.27 0.00 110 D 8.02 4.32 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 111 K 7.22 4.59 0.00 1.63 1.56 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.45 7.81 112 I 7.87 5.01 1.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.62 -0.02 0.00 0.00 113 S 8.91 4.77 0.00 3.98 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 0.00 114 I 8.50 4.64 2.08 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 1.30 0.00 0.00 115 L 9.07 4.27 0.00 1.81 1.82 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.19 4.87 0.00 2.84 2.68 0.00 0.00 6.73 7.56 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 0.00 117 Y 7.86 5.78 0.00 2.66 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 0.00 118 K 8.21 4.49 0.00 1.69 1.69 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.34 7.81 119 C 8.98 5.64 0.00 2.98 3.25 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 0.00 120 R 9.00 4.79 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 121 K 8.93 4.27 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 122 V 8.16 3.96 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 0.78 0.00 0.00 1.08 0.00 0.00