NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.7380 8.3033 116.3182 54.2361 30.6547 173.1175 -1 H 3.5339 8.0372 116.0404 57.9554 26.5286 172.7599 0 H 4.4897 8.3045 112.1161 57.4534 27.2568 174.0048 1 M 5.5408 8.5376 116.7486 53.8178 35.5337 175.2030 2 K 4.2151 8.6056 126.0252 54.8248 35.9920 174.6747 3 T 4.6171 7.9730 123.1550 62.2526 69.9638 174.0420 4 F 4.4000 8.4958 124.6779 55.6983 42.1055 174.1907 5 H 5.3791 8.5518 117.8162 54.0801 31.7566 173.2071 6 L 4.9572 8.9955 121.6119 53.1039 46.2205 175.2709 7 T 5.0825 8.5225 112.0598 60.2181 70.5654 173.5964 8 T 4.7880 8.8123 116.5177 60.4364 70.6482 174.6236 9 Q 4.5305 9.4833 121.2730 56.0112 30.4309 175.3707 10 S 4.6131 7.5006 111.4319 56.3705 66.4806 174.5307 11 R 4.5541 8.6152 120.1936 58.7204 30.2896 175.3099 12 D 5.5013 7.8193 116.5821 52.4891 43.2056 175.3269 13 E 4.6367 8.8848 122.8708 55.3522 33.8532 173.4672 14 M 5.0204 8.7053 126.4078 53.7951 34.0448 175.1786 15 V 4.3930 8.8682 125.4345 60.9216 33.7769 174.2416 16 D 4.3079 8.9784 128.6980 53.9602 41.5863 175.4647 17 I 4.3000 8.3178 119.2675 60.9085 38.2869 177.4786 18 T 3.7268 8.2302 120.5142 67.2366 68.1882 176.4787 19 S 4.3475 7.8025 116.7829 60.9495 63.0279 176.2417 20 Q 4.0013 7.9688 121.1418 58.7202 28.4810 178.6487 21 I 3.7273 7.4808 120.5077 64.5409 36.9187 178.3376 22 E 3.9838 8.4069 119.4484 59.8606 29.3092 179.5848 23 T 3.9977 8.4365 116.1493 66.4527 68.5337 176.4692 24 W 4.3564 8.3299 129.9104 60.1778 30.7620 178.1116 25 I 3.3039 7.9944 120.0358 64.4447 36.3249 178.5034 26 R 3.8732 7.8371 117.5142 59.3007 29.9433 178.6752 27 E 4.0805 7.7834 117.7246 59.4931 29.5210 179.1744 28 T 3.9785 7.2555 108.7851 62.4238 68.9965 175.9770 29 G 3.7970 7.5095 108.2314 45.1901 0.0000 173.5929 30 V 3.5961 7.2044 119.7844 62.9645 32.1670 175.5732 31 T 4.4480 8.5326 116.3096 62.5691 70.6126 174.2755 32 N 5.4820 8.3652 118.0975 50.0606 43.5084 173.8082 33 G 4.3317 7.2205 109.5950 45.1338 0.0000 171.8073 34 V 5.0178 8.3381 116.1271 59.5097 36.7690 174.3767 35 A 5.1960 9.2560 124.7225 50.3590 21.7991 175.1770 36 I 4.7159 9.0882 124.4405 59.8499 39.3392 174.9940 37 V 4.8020 8.8356 128.2139 61.2379 33.6916 174.3246 38 S 5.0105 9.3070 123.4991 56.2150 65.1824 173.1890 39 S 4.7306 9.2262 123.2260 58.4883 62.8379 173.6567 40 L 4.6017 8.4015 125.0288 54.8118 41.5272 176.1361 41 H 5.0800 8.0416 115.5168 54.4004 32.1215 173.6987 42 T 4.4509 8.4900 110.6287 62.2918 69.3894 175.4069 43 T 5.0523 8.0571 110.8074 60.1106 70.7135 172.7751 44 A 4.7456 8.1475 122.4103 50.9550 22.4633 176.1322 45 G 4.3549 8.6181 109.0479 44.3253 0.0000 171.1782 46 I 5.1483 8.3894 119.6786 59.8066 40.4302 175.3242 47 T 4.7660 8.9768 119.9463 60.6120 71.7335 172.0540 48 V 4.9090 8.1000 123.9555 61.5455 33.6750 174.2188 49 N 4.8089 8.8648 124.9490 53.1904 42.9046 172.2756 50 E 4.8170 8.9572 120.4524 56.8271 30.1291 177.4860 51 N 5.2329 9.6910 122.4701 52.2017 38.2719 175.8878 52 A 4.4006 8.6496 121.2601 53.2098 21.5136 175.8378 53 D 4.7645 8.9972 117.7349 51.9489 41.6275 175.2272 54 P 4.4061 0.0000 0.0000 65.6189 31.1495 177.8815 55 D 4.4132 8.6952 119.1975 56.7328 40.5107 178.6722 56 V 3.5442 7.7607 119.6378 65.8874 31.5627 178.2148 57 K 3.8614 7.8800 118.0616 59.7340 32.5079 179.0271 58 R 3.8919 7.9842 119.2960 59.4220 29.9741 178.7709 59 D 4.3482 8.3693 118.6959 57.3830 40.7129 178.6541 60 M 4.0491 8.3252 119.6404 58.5338 31.9997 178.8461 61 I 3.7949 7.8860 119.7999 64.5356 37.3923 178.1620 62 M 4.0346 8.2138 119.0236 58.7649 32.0381 178.4747 63 R 3.9199 8.3261 118.5048 59.3822 30.1925 179.1182 64 L 3.9791 8.1626 118.7822 57.7978 41.4191 179.1084 65 D 4.4238 8.4006 118.1137 57.2191 40.8768 178.1677 66 E 4.0232 7.7921 118.1821 59.0928 29.6310 178.9316 67 V 3.6657 7.8028 117.5950 64.6071 32.7169 175.7870 68 Y 4.7827 7.6335 116.3929 54.7303 37.8847 173.2608 69 P 4.8867 0.0000 0.0000 61.4394 32.6095 176.7443 70 W 4.1351 9.0517 131.6146 60.6103 30.9171 175.8708 71 H 4.6822 8.2292 116.6647 55.3515 30.4955 173.6484 72 H 4.6380 8.1308 125.1918 54.1161 32.6479 173.7467 73 E 4.0096 8.7763 124.8743 59.0794 29.4325 177.3918 74 N 4.6777 8.2483 114.2657 53.3683 39.2960 175.0009 75 D 4.4443 7.8065 119.3371 54.5134 41.2801 176.3881 76 R 4.3612 8.2397 120.4454 56.5210 32.4412 175.6700 77 H 4.2741 8.0312 118.0495 56.1487 29.7262 175.2354 78 M 4.0047 8.7465 127.9057 58.5196 31.9556 177.8682 79 E 3.8599 7.5233 118.0709 57.4734 29.9070 177.5413 80 G 3.9836 8.0675 106.0680 45.1343 0.0000 173.1754 81 N 4.1093 7.5835 116.5360 52.1488 38.2699 176.9189 82 T 3.7426 7.9651 117.5456 68.0282 68.4086 175.3553 83 A 3.7721 7.2521 121.4031 55.0323 18.3619 179.3915 84 A 3.9525 7.6090 119.2023 55.5220 18.4417 179.5347 85 H 4.4538 7.8077 115.5733 58.4104 28.8225 177.8715 86 L 3.5899 7.5480 120.6239 57.5758 41.2909 179.6981 87 K 3.5553 7.4706 118.3552 59.4302 31.8163 179.5367 88 T 3.9974 7.6544 115.8784 66.9643 68.2235 177.0005 89 S 4.2835 7.7235 115.4786 61.4736 62.7970 176.8092 90 T 4.0520 7.4865 118.0446 66.8479 68.4115 177.0027 91 V 3.8647 7.7583 112.6147 61.5982 32.2346 177.4324 92 G 4.1145 7.9810 106.4688 45.1831 0.0000 174.0120 93 H 4.5351 8.9393 116.0174 57.1847 29.9577 174.5591 94 A 5.1480 7.4876 118.8525 50.5324 22.3437 175.2970 95 Q 4.6062 9.0808 117.8982 54.4112 33.3166 174.5557 96 T 4.9165 8.5659 119.0077 62.1049 70.2265 173.8713 97 L 4.8519 9.1354 126.8331 52.9541 45.1592 175.7306 98 I 4.5365 8.2044 122.2976 60.4561 39.4795 174.5367 99 I 4.9275 8.6890 127.1595 59.6600 39.6334 174.6735 100 S 4.9231 8.8406 121.5124 57.0986 65.7845 173.7521 101 E 3.7832 10.2517 127.1798 57.5180 27.4618 175.9877 102 G 3.9306 8.7053 105.2126 45.4990 0.0000 174.0940 103 R 4.7006 7.7179 118.3137 53.6198 33.3739 174.8200 104 L 4.4234 8.2175 120.2197 55.0146 42.3831 177.8588 105 V 3.9897 8.7508 125.0247 62.0968 30.6039 174.6090 106 L 4.9646 8.0467 125.1601 52.1222 45.7474 176.6601 107 G 3.8346 9.6663 111.9656 45.3422 0.0000 174.5215 108 T 3.4822 8.3721 115.9572 65.7800 68.4813 175.4092 109 W 5.1462 7.7681 117.2134 55.6391 29.8630 174.6667 110 Q 4.9629 7.9255 119.2228 55.1292 29.1432 175.5427 111 G 4.1479 9.3290 110.6131 44.3385 0.0000 171.1814 112 V 4.7810 8.3026 120.8528 61.3835 33.3255 174.2085 113 Y 5.1676 9.0761 125.5126 56.0093 41.2792 174.5666 114 F 4.2996 9.1154 127.0060 58.1099 40.8610 173.9881 115 C 4.5633 8.4218 125.3745 57.8844 29.3090 172.2602 116 E 4.1972 8.8960 126.7992 55.7057 30.1433 176.6104 117 F 5.1967 8.5859 123.7053 56.6403 40.8771 174.8629 118 D 4.9215 8.8617 119.6425 53.4705 40.7870 174.6711 119 G 4.3536 8.5679 107.0866 43.4503 0.0000 171.7345 120 P 4.9751 0.0000 0.0000 62.7709 32.3016 176.2056 121 R 4.8759 8.9876 120.6417 55.0175 34.3036 176.0145 122 T 4.3176 8.8084 111.3139 62.1717 69.7436 174.7249 123 N 5.0849 7.8463 119.6223 52.7418 37.9908 174.9774 124 R 4.4612 8.0649 118.2928 57.0196 32.0355 175.9817 125 K 5.2080 8.9632 120.2394 54.8607 36.9667 175.1490 126 F 5.5419 8.6206 117.5263 55.2514 41.9074 173.5159 127 V 4.8316 9.1321 120.1735 61.2010 34.4415 174.3622 128 V 5.0650 8.8876 126.8364 61.0261 34.3861 173.9116 129 K 5.2463 9.3140 129.2087 54.7443 34.8188 174.4596 130 L 5.3124 9.1761 127.6314 53.1818 43.8910 175.8473 131 L 4.9800 8.9658 122.7315 53.1684 44.8114 175.7202 132 T 4.8907 8.4336 113.1166 59.6289 71.3239 174.4274 133 D 4.5591 8.5247 122.0246 55.1511 40.9610 176.7435 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 -2 H 8.30 4.74 0.00 3.47 3.69 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.04 3.53 0.00 3.46 3.45 0.00 5.85 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.30 4.49 0.00 3.53 3.33 0.00 5.56 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.54 5.54 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 2 K 8.61 4.22 0.00 0.79 0.74 0.00 0.77 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.55 7.81 3 T 7.97 4.62 3.98 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 0.96 0.00 0.00 4 F 8.50 4.40 0.00 1.51 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 0.00 0.00 0.00 0.00 5 H 8.55 5.38 0.00 2.92 3.11 0.00 5.64 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 6 L 9.00 4.96 0.00 1.22 1.33 0.29 0.46 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 7 T 8.52 5.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 T 8.81 4.79 4.38 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 1.34 0.00 0.00 9 Q 9.48 4.53 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 10 S 7.50 4.61 0.00 3.91 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 11 R 8.62 4.55 0.00 1.71 1.83 0.00 2.21 0.00 0.00 2.55 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 0.00 12 D 7.82 5.50 0.00 2.60 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 13 E 8.88 4.64 0.00 2.02 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 0.00 2.25 2.30 0.00 14 M 8.71 5.02 0.00 1.52 1.77 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 15 V 8.87 4.39 2.22 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 1.03 0.00 0.00 1.05 0.00 0.00 16 D 8.98 4.31 0.00 2.62 2.50 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 17 I 8.32 4.30 1.54 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.23 0.78 0.00 0.00 18 T 8.23 3.73 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 1.13 0.00 0.00 19 S 7.80 4.35 0.00 4.04 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 20 Q 7.97 4.00 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 21 I 7.48 3.73 1.98 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 1.53 0.59 0.98 0.00 0.00 22 E 8.41 3.98 0.00 2.14 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 2.31 2.52 0.00 23 T 8.44 4.00 4.39 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 1.36 0.00 0.00 24 W 8.33 4.36 0.00 3.78 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 25 I 7.99 3.30 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.82 0.00 0.00 26 R 7.84 3.87 0.00 2.22 1.96 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 27 E 7.78 4.08 0.00 2.00 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 2.56 0.00 28 T 7.26 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 29 G 7.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.20 3.60 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 0.72 0.00 0.00 0.59 0.00 0.00 31 T 8.53 4.45 4.21 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 1.20 0.00 0.00 32 N 8.37 5.48 0.00 2.69 2.76 0.00 0.00 6.96 7.59 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 33 G 7.22 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 34 V 8.34 5.02 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 0.75 0.00 0.00 0.96 0.00 0.00 35 A 9.26 5.20 1.27 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 0.00 0.00 0.00 36 I 9.09 4.72 1.95 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 1.18 1.02 0.96 0.00 0.00 37 V 8.84 4.80 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 0.95 0.00 0.00 0.98 0.00 0.00 38 S 9.31 5.01 0.00 3.94 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 9.23 4.73 0.00 3.91 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 40 L 8.40 4.60 0.00 1.59 1.59 0.89 0.79 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 41 H 8.04 5.08 0.00 3.22 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.49 4.45 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 1.25 0.00 0.00 43 T 8.06 5.05 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 1.02 0.00 0.00 44 A 8.15 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.62 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 5.15 1.83 0.00 0.00 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 1.18 1.13 0.84 0.00 0.00 47 T 8.98 4.77 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 1.28 0.00 0.00 48 V 8.10 4.91 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 0.94 0.00 0.00 0.95 0.00 0.00 49 N 8.86 4.81 0.00 2.84 2.66 0.00 0.00 6.48 6.96 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 50 E 8.96 4.82 0.00 2.06 1.90 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 2.45 2.40 0.00 51 N 9.69 5.23 0.00 2.95 3.19 0.00 0.00 6.50 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 52 A 8.65 4.40 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.00 4.76 0.00 2.66 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 54 P 0.00 4.41 0.00 2.31 2.32 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 55 D 8.70 4.41 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.76 3.54 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 1.11 0.00 0.00 0.90 0.00 0.00 57 K 7.88 3.86 0.00 1.78 1.70 0.00 1.29 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.44 7.81 58 R 7.98 3.89 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 59 D 8.37 4.35 0.00 2.94 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 60 M 8.33 4.05 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 61 I 7.89 3.79 2.04 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 1.48 0.81 1.01 0.00 0.00 62 M 8.21 4.03 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 63 R 8.33 3.92 0.00 1.83 1.94 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 64 L 8.16 3.98 0.00 1.77 1.77 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.40 4.42 0.00 2.94 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 66 E 7.79 4.02 0.00 2.13 1.96 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 2.35 2.50 0.00 67 V 7.80 3.67 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 -0.11 0.00 0.00 0.81 0.00 0.00 68 Y 7.63 4.78 0.00 3.01 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 P 0.00 4.89 0.00 2.25 2.06 0.00 3.81 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 70 W 9.05 4.14 0.00 3.44 3.20 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 0.00 0.00 0.00 71 H 8.23 4.68 0.00 3.29 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.13 4.64 0.00 3.07 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.78 4.01 0.00 2.13 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 2.22 2.35 0.00 74 N 8.25 4.68 0.00 2.69 2.87 0.00 0.00 6.94 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 75 D 7.81 4.44 0.00 2.75 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 76 R 8.24 4.36 0.00 1.74 1.93 0.00 3.21 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 77 H 8.03 4.27 0.00 3.11 3.14 0.00 5.88 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.75 4.00 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 79 E 7.52 3.86 0.00 2.06 1.72 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 2.29 1.88 0.00 80 G 8.07 3.98 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 0.00 81 N 7.58 4.11 0.00 3.00 3.20 0.00 0.00 6.18 7.22 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 82 T 7.97 3.74 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 1.11 0.00 0.00 83 A 7.25 3.77 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 0.00 0.00 0.00 0.00 0.00 84 A 7.61 3.95 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.81 4.45 0.00 3.23 3.25 0.00 5.90 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 86 L 7.55 3.59 0.00 1.00 0.13 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.47 3.56 0.00 0.79 0.74 0.00 1.31 0.00 0.00 1.31 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.29 7.81 88 T 7.65 4.00 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 1.30 0.00 0.00 89 S 7.72 4.28 0.00 3.76 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.49 4.05 4.39 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 1.31 0.00 0.00 91 V 7.76 3.86 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 0.85 0.00 0.00 1.13 0.00 0.00 92 G 7.98 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 93 H 8.94 4.54 0.00 3.27 3.60 0.00 5.43 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 94 A 7.49 5.15 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 95 Q 9.08 4.61 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 96 T 8.57 4.92 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 1.23 0.00 0.00 97 L 9.14 4.85 0.00 1.53 1.54 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.20 4.54 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.91 0.00 0.00 99 I 8.69 4.93 1.93 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 1.11 0.96 0.90 0.00 0.00 100 S 8.84 4.92 0.00 3.81 3.63 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 0.00 101 E 10.25 3.78 0.00 2.08 1.96 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 2.24 2.36 0.00 102 G 8.71 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 0.00 0.00 0.00 103 R 7.72 4.70 0.00 1.80 1.76 0.00 3.10 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 104 L 8.22 4.42 0.00 1.50 1.59 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.75 3.99 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 0.73 0.00 0.00 0.92 0.00 0.00 106 L 8.05 4.96 0.00 1.47 1.47 0.93 1.02 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 0.00 107 G 9.67 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.37 3.48 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 0.10 0.00 0.00 109 W 7.77 5.15 0.00 3.47 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 0.00 110 Q 7.93 4.96 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 111 G 9.33 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 0.00 0.00 0.00 112 V 8.30 4.78 1.90 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 0.92 0.00 0.00 0.86 0.00 0.00 113 Y 9.08 5.17 0.00 2.85 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 0.00 114 F 9.12 4.30 0.00 2.82 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 0.00 115 C 8.42 4.56 0.00 2.42 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 0.00 0.00 0.00 116 E 8.90 4.20 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 117 F 8.59 5.20 0.00 3.13 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 0.00 118 D 8.86 4.92 0.00 2.83 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 0.00 119 G 8.57 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.98 0.00 2.10 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 121 R 8.99 4.88 0.00 1.75 1.98 0.00 3.15 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 122 T 8.81 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 123 N 7.85 5.08 0.00 2.75 2.92 0.00 0.00 6.11 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 0.00 124 R 8.06 4.46 0.00 1.78 1.88 0.00 3.03 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 125 K 8.96 5.21 0.00 1.67 1.52 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.65 7.81 126 F 8.62 5.54 0.00 3.32 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 0.00 127 V 9.13 4.83 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 1.06 0.00 0.00 0.92 0.00 0.00 128 V 8.89 5.06 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 1.33 0.00 0.00 1.16 0.00 0.00 129 K 9.31 5.25 0.00 1.98 1.72 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.53 7.81 130 L 9.18 5.31 0.00 1.56 1.54 0.43 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.97 4.98 0.00 1.57 1.55 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.43 4.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 133 D 8.52 4.56 0.00 2.82 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