NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0195 8.1633 120.7222 55.2523 33.9061 173.9127 2 R 5.0400 8.8495 121.3077 52.3443 33.3422 170.3449 3 V 4.9959 8.5022 121.3046 60.3319 35.6509 173.5895 4 V 4.7634 8.9859 125.2552 61.5100 33.4273 174.3043 5 I 4.8383 9.1799 130.3184 59.9432 39.1563 174.7961 6 Q 5.1811 9.0968 126.8173 54.0030 32.0647 174.7335 7 R 4.6362 8.5614 123.9316 55.4435 31.5509 175.5487 8 V 5.0254 8.4680 118.3537 59.6227 35.3655 176.7649 9 K 4.8719 8.6767 122.6874 57.4846 32.7066 177.4818 10 G 4.6734 7.5674 107.0167 45.6648 0.0000 171.8619 11 A 5.1897 8.2909 121.5801 50.3630 23.2784 175.3142 12 I 4.5193 8.7837 123.2796 59.4570 39.8256 174.5031 13 L 4.6998 8.7777 130.7531 53.8634 43.3113 175.4615 14 S 5.3178 9.2026 122.5556 56.8761 66.8032 173.4963 15 V 4.9247 8.5242 114.8138 59.2811 35.9732 175.1225 16 R 4.5257 8.5833 121.2075 55.7577 29.8365 176.8435 17 K 3.9919 8.1128 127.0920 60.0860 33.3945 178.6114 *26 E 4.4529 7.8472 117.4224 54.7530 32.8546 176.8809 27 L 5.1752 7.9804 116.5598 53.2924 44.5014 176.0167 28 E 4.6964 9.4884 119.6211 54.3674 32.5593 175.0708 29 I 4.2848 8.6503 125.8362 61.5681 37.1849 175.7948 30 I 4.5392 8.9262 119.1111 60.9852 39.8662 175.7314 31 S 4.8695 7.7949 116.7030 56.9093 67.3730 172.6940 32 E 5.2341 8.3812 120.6536 55.3517 32.4159 174.1355 33 I 4.9905 8.4858 118.8267 57.0200 41.9698 177.4202 34 K 4.4874 9.0319 121.4075 56.2736 31.0428 179.6285 35 N 5.0611 8.1252 127.2734 52.0855 39.5511 174.5112 36 G 4.9367 7.3494 108.6632 46.2010 0.0000 170.4160 37 L 5.2985 8.0024 120.9166 52.9665 45.5165 175.4113 38 I 4.5491 8.3044 123.5775 59.6655 40.2964 174.0500 39 C 5.0619 8.6590 126.3339 58.0241 31.8136 173.1605 40 F 5.0447 9.2509 124.5173 56.4451 39.9810 174.8827 41 L 5.1326 9.2895 128.1544 53.3387 44.1387 175.2253 42 G 4.4956 8.9195 115.0205 45.1981 0.0000 171.9410 43 I 5.1503 8.8002 126.6659 60.6586 39.0357 174.5075 44 H 4.2971 10.0647 127.9908 54.2938 31.0227 176.3101 45 K 3.8638 8.0340 123.5124 59.1405 32.4043 177.3701 46 N 4.7088 8.0912 114.8266 53.1095 39.8142 174.7617 47 D 4.5307 7.7693 118.3522 55.4367 41.3302 177.4236 48 T 4.5987 9.5355 114.9160 60.0422 72.0697 175.7185 49 W 4.6511 8.9376 130.0365 60.8236 30.6023 177.5367 50 E 3.8568 8.3641 118.1860 59.2749 28.7892 178.6163 51 D 4.3712 8.2687 118.7121 57.4948 40.8977 178.5959 52 A 3.9054 7.8729 120.7726 55.2321 18.3222 179.4061 53 L 3.3534 7.1416 117.3778 58.0141 41.6094 179.2949 54 Y 3.7566 7.7773 118.8464 60.7473 38.7880 177.9478 55 I 3.6960 7.4845 120.6952 64.5925 37.3540 178.4123 56 I 2.8146 7.5020 120.2804 64.1741 36.4776 178.3955 57 R 3.7199 8.0236 119.7574 59.3269 29.7276 178.7169 58 K 3.8259 8.0117 118.3379 59.5211 31.9430 178.9922 59 C 4.1174 8.3604 116.0929 62.8696 27.4476 175.7436 60 L 4.3468 8.0232 119.4633 55.9071 41.3118 177.8758 61 N 4.7748 7.5724 113.1258 52.7149 40.4738 174.7098 62 L 3.9422 8.0272 119.5773 55.2424 41.8348 176.9830 63 R 4.6251 8.5625 123.9025 55.6143 28.5733 176.2183 64 L 5.2515 8.7554 119.8799 53.8673 42.3862 176.6454 65 W 4.9538 7.8444 118.0356 54.5580 32.8976 174.5820 66 N 4.8034 8.5932 119.0996 53.3237 38.8361 173.9963 67 N 4.7595 8.0808 120.9182 51.7932 39.2129 172.4178 68 D 4.1388 7.9128 120.1811 53.4454 41.0336 175.8438 69 N 4.4903 8.9743 122.5715 53.5751 38.8790 173.6418 70 K 4.6564 7.8183 116.8781 55.1961 35.1575 175.5262 71 T 5.2570 8.1700 111.5213 59.5833 71.0922 174.7143 72 W 4.1430 7.5973 116.5314 56.9012 25.9328 173.3711 73 D 4.8793 8.9940 116.2640 53.6351 44.9177 175.5162 74 K 4.9602 8.3025 117.4835 54.4627 35.6988 175.9474 75 N 5.6253 9.2214 122.4271 50.9014 39.8392 176.4297 76 V 3.5603 8.7167 111.4198 64.4460 31.3829 178.9565 77 K 3.3016 7.4261 118.4088 59.3280 31.6773 178.7289 78 D 4.3897 8.6743 118.3922 57.6069 40.9183 178.7627 79 L 3.9194 6.8864 115.0274 53.4792 41.8357 176.3892 80 N 4.5772 8.1824 115.0806 53.5305 36.5759 173.6823 81 Y 4.9402 7.8896 114.8774 57.4018 40.3671 175.2953 82 E 4.9304 8.7423 119.7875 55.1576 32.8190 175.3959 83 L 5.0979 9.0054 120.1351 53.0011 46.2801 175.8011 84 L 4.9769 9.1854 125.1926 53.5148 44.1790 175.0727 85 I 4.5983 8.1127 128.5616 59.9922 38.1775 175.7372 86 V 4.5370 8.4716 127.3240 60.9337 34.4986 174.3051 87 S 4.9945 8.6222 122.4749 58.2917 63.5514 173.9389 88 Q 4.5473 9.3693 126.1550 53.6796 30.0093 175.7760 89 F 4.5907 8.7669 119.3134 59.1212 38.7326 178.1289 90 T 3.9451 6.9712 111.3544 63.6301 68.5662 175.8010 91 L 4.0408 7.6525 121.4164 56.6377 41.8089 177.4721 92 F 4.7567 7.8720 116.3756 56.7433 39.1703 175.6037 93 G 3.3425 7.9790 110.8117 45.8579 0.0000 173.7339 94 N 4.4585 8.8926 126.5642 53.2855 38.7007 175.0588 95 T 4.6159 8.2440 114.3727 61.2742 69.5987 175.1041 96 K 4.0410 7.8619 122.2842 59.4751 31.8823 177.9700 97 K 3.8839 7.8299 118.4297 58.9324 33.1255 177.6561 98 G 3.7676 7.2932 112.3942 45.5795 0.0000 173.2744 99 N 4.6536 8.8362 120.9817 52.7415 39.3915 174.2167 100 K 4.4689 7.6898 120.5393 53.6353 33.5253 173.7730 101 P 4.6039 0.0000 0.0000 61.6490 32.3429 175.0166 102 D 4.9092 7.8748 119.0610 51.7340 42.4668 175.3987 103 F 5.4046 7.9511 115.8566 57.5957 40.0579 176.4428 104 H 4.5524 8.0139 116.8894 57.5554 29.2094 176.8873 105 L 3.9824 7.9187 120.7321 56.6586 42.4152 176.2545 106 A 4.3695 7.2661 119.2068 51.3007 19.1165 177.4201 107 K 4.0263 8.6664 122.1856 56.0949 33.2256 176.5507 108 E 4.0927 8.8110 127.6715 55.8610 30.3487 175.7411 109 P 4.5787 0.0000 0.0000 64.4906 31.3186 177.7058 110 N 4.5499 8.0176 116.0940 55.5141 39.2319 177.1423 111 E 4.0439 7.9790 118.8544 59.0192 29.4218 179.2235 112 A 4.1797 8.0769 121.2009 55.1407 18.4145 179.4741 113 L 2.7353 7.2872 118.8634 57.8118 42.0355 179.2304 114 I 3.6868 7.4853 119.8829 64.2443 37.0182 177.9915 115 F 4.2043 8.6581 121.7717 61.6970 39.2717 175.9545 116 Y 4.2600 9.0280 119.9165 61.4348 38.5312 178.0128 117 N 4.3787 8.8283 117.1606 56.4837 38.6976 177.5832 118 K 3.9106 8.1609 119.6576 59.3382 32.0076 179.2886 119 I 3.7174 7.8649 120.1351 64.6684 37.0978 178.3306 120 I 3.6716 7.7248 120.4066 64.7539 36.9140 178.2385 121 D 4.4188 8.1634 119.5586 57.2290 40.6329 178.5222 122 E 4.0149 8.3248 119.9101 59.3116 29.8714 178.4359 123 F 4.0931 8.9517 118.8040 60.8579 39.1061 178.1301 124 K 4.0471 8.2390 117.6457 59.4936 31.8019 179.3863 125 K 3.9798 8.4979 118.6640 59.4387 32.0699 178.1278 126 Q 4.2764 8.1519 117.2423 58.3069 29.3365 175.9989 127 Y 4.6031 9.1265 119.6807 55.6965 38.8276 172.7676 128 N 4.8103 7.3879 121.3790 52.9121 42.7994 175.0922 129 D 4.5926 8.2327 125.1498 54.2472 39.9847 176.2721 130 D 4.4827 8.6580 119.4239 55.3537 41.6001 176.2663 131 K 4.3630 7.4229 115.9201 56.8556 34.3039 175.7260 132 I 4.5343 7.6518 121.3127 60.3883 37.5372 175.3539 133 K 4.7351 9.1050 127.7870 54.7981 34.8804 175.7050 134 I 5.0377 8.1968 114.9488 59.6686 41.2705 173.0037 135 G 4.2570 7.9176 109.8432 43.6857 0.0000 172.3764 136 K 4.2828 8.3799 119.6050 55.1997 31.8776 177.1973 137 F 3.7172 9.1851 127.1192 61.3626 39.0335 176.8511 138 G 3.8086 8.2247 105.5807 46.6269 0.0000 172.8651 139 N 4.8864 7.6371 117.1777 51.2015 40.6620 173.9951 140 Y 4.1419 8.4719 121.2815 57.9487 39.2371 174.6671 141 M 4.7418 7.7845 126.2630 53.3428 35.3525 174.4936 142 N 4.6571 8.7732 121.5312 51.9434 41.1885 173.4400 143 I 5.0069 8.2086 126.7842 59.5479 39.9769 174.8414 144 D 4.6442 8.8118 128.6148 53.7772 41.9196 175.8686 145 V 4.6495 8.4284 123.1959 61.5227 34.3152 175.5195 146 T 4.4362 8.7348 125.2074 61.8037 68.6315 172.9200 147 N 4.7061 8.6032 123.3582 53.6144 39.3316 174.6200 148 D 4.2412 10.6100 125.2936 53.8031 40.4962 173.8195 149 G 3.7197 8.6471 117.3962 44.3200 0.0000 171.1613 150 P 4.5525 0.0000 0.0000 61.3239 33.2406 176.0319 151 V 4.4112 8.0171 117.1390 61.9325 34.4476 173.4304 152 T 5.1663 8.7168 124.7083 61.8552 70.9581 173.5938 153 I 4.5667 9.0386 127.6444 59.4977 40.3333 173.8670 154 Y 5.1828 8.7059 127.3916 55.8737 41.0100 174.5618 155 I 4.3651 7.9461 126.9526 59.3010 40.7476 173.7611 156 D 5.2816 8.2644 126.2891 52.5505 43.3762 176.8978 157 T 3.8039 8.7638 116.2312 64.3001 69.2492 176.0139 158 H 4.4710 8.4858 118.2853 57.5835 28.8343 175.5704 159 D 4.7398 7.6563 118.2588 54.5594 40.6484 176.5102 160 I 4.1260 7.4836 126.2140 61.5527 38.1818 174.9343 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 M 8.16 5.02 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.85 5.04 0.00 1.48 1.77 0.00 2.21 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 3 V 8.50 5.00 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 0.69 0.00 0.00 1.03 0.00 0.00 4 V 8.99 4.76 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 1.23 0.00 0.00 1.11 0.00 0.00 5 I 9.18 4.84 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.92 0.00 0.00 6 Q 9.10 5.18 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 7 R 8.56 4.64 0.00 1.66 1.65 0.00 2.21 0.00 0.00 2.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.00 8 V 8.47 5.03 2.21 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 1.01 0.00 0.00 1.07 0.00 0.00 9 K 8.68 4.87 0.00 1.61 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.49 1.39 7.81 10 G 7.57 4.67 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 0.00 11 A 8.29 5.19 1.19 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 0.00 0.00 12 I 8.78 4.52 1.87 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 1.11 0.63 0.91 0.00 0.00 13 L 8.78 4.70 0.00 1.69 1.52 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.20 5.32 0.00 3.86 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 15 V 8.52 4.92 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 0.84 0.00 0.00 1.00 0.00 0.00 16 R 8.58 4.53 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 17 K 8.11 3.99 0.00 1.83 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *26 E 7.85 4.45 0.00 1.71 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 2.21 1.92 0.00 27 L 7.98 5.18 0.00 1.54 1.64 1.01 0.94 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 28 E 9.49 4.70 0.00 1.95 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 2.20 2.28 0.00 29 I 8.65 4.28 1.88 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 1.40 0.54 0.91 0.00 0.00 30 I 8.93 4.54 1.88 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 1.24 0.71 0.99 0.00 0.00 31 S 7.79 4.87 0.00 3.74 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 32 E 8.38 5.23 0.00 1.92 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 0.00 2.18 2.36 0.00 33 I 8.49 4.99 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.88 0.00 0.00 34 K 9.03 4.49 0.00 1.67 0.81 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 35 N 8.13 5.06 0.00 1.51 1.42 0.00 0.00 7.39 7.60 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 36 G 7.35 4.94 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 0.00 37 L 8.00 5.30 0.00 1.64 1.57 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.30 4.55 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 1.46 0.93 0.00 0.00 39 C 8.66 5.06 0.00 2.73 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 40 F 9.25 5.04 0.00 3.01 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 41 L 9.29 5.13 0.00 1.88 1.81 1.17 1.07 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 42 G 8.92 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 0.00 0.00 0.00 0.00 43 I 8.80 5.15 2.17 0.00 0.00 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 1.74 1.15 1.02 0.00 0.00 44 H 10.06 4.30 0.00 3.05 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.03 3.86 0.00 1.85 1.94 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 46 N 8.09 4.71 0.00 2.72 2.87 0.00 0.00 6.91 8.06 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 47 D 7.77 4.53 0.00 2.52 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 48 T 9.54 4.60 4.37 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 1.29 0.00 0.00 49 W 8.94 4.65 0.00 3.49 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.86 0.00 2.05 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 2.48 2.39 0.00 51 D 8.27 4.37 0.00 3.12 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 52 A 7.87 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.14 3.35 0.00 1.45 1.54 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.78 3.76 0.00 3.04 3.01 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 55 I 7.48 3.70 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.77 1.01 0.00 0.00 56 I 7.50 2.81 1.48 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.57 0.25 0.00 0.00 57 R 8.02 3.72 0.00 1.67 1.87 0.00 2.97 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 58 K 8.01 3.83 0.00 1.69 1.70 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.50 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.73 1.09 7.81 59 C 8.36 4.12 0.00 3.39 3.30 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 60 L 8.02 4.35 0.00 1.67 1.61 0.95 0.86 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 61 N 7.57 4.77 0.00 2.70 2.77 0.00 0.00 7.00 7.52 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 62 L 8.03 3.94 0.00 1.82 1.64 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.56 4.63 0.00 2.01 2.16 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 64 L 8.76 5.25 0.00 1.14 1.54 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.84 4.95 0.00 3.59 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 66 N 8.59 4.80 0.00 2.72 2.75 0.00 0.00 6.45 6.92 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 67 N 8.08 4.76 0.00 2.74 2.83 0.00 0.00 6.81 7.77 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 68 D 7.91 4.14 0.00 2.72 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 69 N 8.97 4.49 0.00 2.90 2.96 0.00 0.00 7.01 6.68 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 70 K 7.82 4.66 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.33 7.81 71 T 8.17 5.26 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 1.15 0.00 0.00 72 W 7.60 4.14 0.00 3.39 3.29 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 0.00 73 D 8.99 4.88 0.00 2.85 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 74 K 8.30 4.96 0.00 1.78 1.62 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.30 7.81 75 N 9.22 5.63 0.00 3.03 3.15 0.00 0.00 6.86 8.47 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 76 V 8.72 3.56 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 1.25 0.00 0.00 1.13 0.00 0.00 77 K 7.43 3.30 0.00 1.90 1.55 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.09 7.81 78 D 8.67 4.39 0.00 2.64 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 79 L 6.89 3.92 0.00 0.27 0.13 0.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.18 4.58 0.00 2.71 2.87 0.00 0.00 6.93 8.05 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 81 Y 7.89 4.94 0.00 2.75 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 82 E 8.74 4.93 0.00 1.93 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 2.23 2.29 0.00 83 L 9.01 5.10 0.00 1.46 1.29 1.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.19 4.98 0.00 1.61 1.40 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.11 4.60 1.73 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.18 0.90 0.00 0.00 86 V 8.47 4.54 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 1.06 0.00 0.00 0.84 0.00 0.00 87 S 8.62 4.99 0.00 3.63 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 88 Q 9.37 4.55 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 89 F 8.77 4.59 0.00 3.39 3.36 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 90 T 6.97 3.95 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 0.31 0.00 0.00 91 L 7.65 4.04 0.00 1.66 1.47 1.03 0.60 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 92 F 7.87 4.76 0.00 3.27 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 93 G 7.98 3.34 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 0.00 94 N 8.89 4.46 0.00 2.75 2.89 0.00 0.00 6.33 6.79 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 95 T 8.24 4.62 4.19 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 1.13 0.00 0.00 96 K 7.86 4.04 0.00 1.84 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 97 K 7.83 3.88 0.00 1.66 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.50 7.81 98 G 7.29 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 99 N 8.84 4.65 0.00 2.70 2.85 0.00 0.00 6.55 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 0.00 100 K 7.69 4.47 0.00 1.70 1.69 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 101 P 0.00 4.60 0.00 1.49 1.83 0.00 3.40 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 102 D 7.87 4.91 0.00 2.60 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 0.00 103 F 7.95 5.40 0.00 3.25 3.43 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 0.00 104 H 8.01 4.55 0.00 3.22 3.35 0.00 5.67 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 0.00 105 L 7.92 3.98 0.00 1.76 1.63 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.27 4.37 1.56 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 0.00 0.00 107 K 8.67 4.03 0.00 1.74 1.78 0.00 1.82 0.00 0.00 1.41 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.34 7.81 108 E 8.81 4.09 0.00 2.06 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 0.00 2.38 2.30 0.00 109 P 0.00 4.58 0.00 2.24 2.19 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 110 N 8.02 4.55 0.00 2.95 2.84 0.00 0.00 6.95 7.50 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 0.00 111 E 7.98 4.04 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 2.34 2.33 0.00 112 A 8.08 4.18 1.60 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 0.00 113 L 7.29 2.74 0.00 0.27 1.37 0.56 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.49 3.69 2.07 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 1.40 0.78 0.95 0.00 0.00 115 F 8.66 4.20 0.00 3.31 3.43 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 0.00 116 Y 9.03 4.26 0.00 3.34 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 0.00 117 N 8.83 4.38 0.00 2.98 2.90 0.00 0.00 7.16 6.77 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 0.00 118 K 8.16 3.91 0.00 1.87 1.57 0.00 1.62 0.00 0.00 1.29 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.54 7.81 119 I 7.86 3.72 1.98 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 1.28 0.74 0.98 0.00 0.00 120 I 7.72 3.67 1.97 0.00 0.00 0.54 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 0.82 0.92 0.00 0.00 121 D 8.16 4.42 0.00 2.91 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 0.00 122 E 8.32 4.01 0.00 2.51 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 2.27 2.32 0.00 123 F 8.95 4.09 0.00 3.30 3.07 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 0.00 0.00 0.00 124 K 8.24 4.05 0.00 2.03 1.89 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 125 K 8.50 3.98 0.00 1.83 2.02 0.00 1.82 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 8.15 4.28 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 127 Y 9.13 4.60 0.00 3.08 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 0.00 128 N 7.39 4.81 0.00 2.90 2.40 0.00 0.00 7.16 7.77 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 0.00 129 D 8.23 4.59 0.00 2.82 2.77 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 0.00 130 D 8.66 4.48 0.00 2.52 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 0.00 131 K 7.42 4.36 0.00 1.12 1.61 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.91 0.51 7.81 132 I 7.65 4.53 1.86 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 1.37 0.87 0.80 0.00 0.00 133 K 9.11 4.74 0.00 1.58 1.68 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.63 7.81 134 I 8.20 5.04 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.98 0.00 0.00 135 G 7.92 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 0.00 0.00 0.00 0.00 136 K 8.38 4.28 0.00 1.82 1.82 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.39 7.81 137 F 9.19 3.72 0.00 2.75 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 0.00 138 G 8.22 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 0.00 0.00 0.00 139 N 7.64 4.89 0.00 2.90 2.79 0.00 0.00 6.89 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 0.00 140 Y 8.47 4.14 0.00 2.95 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 0.00 141 M 7.78 4.74 0.00 1.76 1.74 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 2.40 2.43 0.00 142 N 8.77 4.66 0.00 2.83 2.70 0.00 0.00 6.88 8.59 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 0.00 143 I 8.21 5.01 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.91 0.00 0.00 144 D 8.81 4.64 0.00 2.71 2.60 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 0.00 145 V 8.43 4.65 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 0.89 0.00 0.00 1.06 0.00 0.00 146 T 8.73 4.44 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 1.22 0.00 0.00 147 N 8.60 4.71 0.00 2.62 2.79 0.00 0.00 6.98 8.06 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 0.00 148 D 10.61 4.24 0.00 2.71 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 0.00 149 G 8.65 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 0.00 150 P 0.00 4.55 0.00 2.21 2.10 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 151 V 8.02 4.41 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 1.18 0.00 0.00 0.95 0.00 0.00 152 T 8.72 5.17 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 1.26 0.00 0.00 153 I 9.04 4.57 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.05 0.89 0.00 0.00 154 Y 8.71 5.18 0.00 2.95 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 0.00 155 I 7.95 4.37 1.80 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 1.13 0.57 1.00 0.00 0.00 156 D 8.26 5.28 0.00 2.62 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 0.00 157 T 8.76 3.80 4.19 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 1.24 0.00 0.00 158 H 8.49 4.47 0.00 3.31 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.66 4.74 0.00 2.81 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 0.00 160 I 7.48 4.13 1.60 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 0.98 0.42 0.79 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.