NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4996 8.3044 120.3298 55.0736 34.2118 174.5490 2 S 4.5041 7.6255 111.3019 54.2865 65.4513 171.9402 3 N 4.7621 9.1263 121.5844 52.9454 38.2352 176.2161 4 I 3.6350 7.3949 123.3572 64.8391 38.0358 177.6037 5 N 4.3527 8.0563 116.6863 56.0585 38.4257 177.0744 6 L 3.8391 7.7544 121.4732 57.9414 42.2047 178.9526 7 V 3.5659 8.0363 118.5921 66.1070 31.4168 177.8531 8 Q 3.9278 8.1676 119.2937 58.8915 28.8550 177.9335 9 L 3.8523 7.8398 121.5623 58.0776 42.0492 179.1708 10 V 3.7412 7.8409 118.2196 65.9214 31.5016 178.1670 11 R 3.9701 8.2455 118.0123 59.5719 29.9786 178.7829 12 D 4.4476 8.3444 118.6668 57.4141 40.2260 179.2225 13 S 4.3493 8.3273 115.6311 61.8028 63.0389 176.8070 14 L 4.0824 8.2820 121.6506 57.3938 41.0078 179.4443 15 F 3.8465 8.0220 120.2388 61.6359 39.4497 177.0333 16 T 4.1175 7.6604 113.7316 66.7148 68.2846 176.5314 17 I 3.9190 7.5928 121.1331 62.6080 37.2067 177.1248 18 G 4.0080 7.7432 106.1301 45.2206 0.0000 173.4576 19 C 4.3607 7.5221 116.8080 58.1392 28.9250 171.5322 20 P 4.4261 0.0000 0.0000 61.5608 31.7222 174.9221 21 P 4.6030 0.0000 0.0000 63.4954 31.1660 177.9752 22 S 4.2777 7.5928 113.7016 60.3014 63.3820 174.9379 23 I 4.0338 7.5890 113.8897 61.2973 38.2832 174.4311 24 I 4.8770 7.1493 122.0348 60.0095 38.8525 174.7348 25 T 4.9473 8.9139 118.8017 60.6414 72.7489 171.9677 26 D 4.8674 8.2786 120.0774 52.7408 41.9698 175.5182 27 L 4.2281 8.6069 119.8359 57.1860 41.8222 176.5505 28 D 4.5563 7.3102 115.3397 52.9178 41.3592 175.3959 29 S 4.6708 8.5053 112.0907 59.5352 63.1310 174.3824 30 H 4.8276 8.5760 116.8082 55.5008 29.8161 173.5042 31 S 4.6216 7.5822 114.1396 56.4495 64.7368 173.4836 32 A 4.4685 8.3138 121.8884 52.1808 19.0572 176.9224 33 I 4.5791 8.7596 120.7024 60.1304 39.8552 175.1386 34 T 4.9011 8.8793 121.8914 61.7682 72.4390 173.0088 35 I 4.7421 8.5550 127.0119 59.5570 39.3676 175.1031 36 S 4.6814 8.7478 124.6168 58.1083 63.2704 174.2652 37 L 4.7711 8.3245 123.4110 52.5809 43.3663 175.5636 38 D 4.4257 8.5560 120.8215 54.9090 41.4004 176.5150 39 S 4.0603 8.9594 121.9596 59.4175 60.4095 171.3847 40 M 4.8036 7.3058 116.8510 53.0386 35.9895 173.3834 41 P 4.1611 0.0000 0.0000 62.3365 32.0337 176.3726 42 A 4.3119 7.9570 121.8265 52.0419 19.5454 176.9468 43 I 4.1396 8.2878 120.9417 60.3843 38.8852 174.7802 44 N 4.8965 8.5256 124.9542 51.3502 41.0393 174.1297 45 I 5.1554 8.3660 122.7700 59.6844 41.2706 174.2860 46 A 4.9175 9.1794 127.1635 50.6149 23.3915 174.8045 47 L 4.6772 8.5335 121.9928 54.2083 43.0029 176.4514 48 V 4.1317 8.8844 127.8360 61.7302 32.9888 175.2414 49 N 4.4282 9.4055 127.1297 54.7396 35.6300 174.2681 50 E 3.8401 8.3542 111.8653 56.8309 28.9557 173.1259 51 Q 4.6112 7.6368 114.6328 53.4476 32.3922 174.5297 52 V 4.3880 8.3521 122.0727 62.8954 33.0444 174.1209 53 M 5.3121 9.3661 128.0058 53.7826 35.1696 174.0191 54 L 5.4339 8.9002 125.8638 52.8781 44.8404 175.4399 55 W 5.9509 8.5897 118.2571 55.5104 32.1790 173.2930 56 A 4.8813 9.4614 122.5327 50.4483 22.2938 174.7944 57 N 4.9286 8.4777 119.6434 51.7532 39.7237 174.4654 58 F 4.6673 8.9866 123.5155 55.6957 41.3865 175.5733 59 D 5.0283 8.9459 121.9532 54.5684 41.3107 176.2378 60 A 4.3203 8.8494 126.4746 51.4512 18.7477 175.8626 61 P 4.5037 0.0000 0.0000 61.8174 32.7833 176.7094 62 S 4.4103 8.2623 114.4697 58.1571 65.1068 174.9177 63 D 4.3815 8.5356 121.9107 57.7081 40.6171 179.5499 64 V 3.6744 7.7084 112.4767 64.0811 31.6109 178.4005 65 K 3.9636 7.9810 119.1758 59.3301 32.0849 178.6751 66 L 3.9672 8.0132 120.7583 58.0675 41.7352 178.7630 67 Q 3.9748 7.9238 119.1102 59.1457 29.1356 178.0873 68 S 4.3455 7.9694 113.5255 60.2121 63.5516 175.4177 69 S 4.6671 7.6429 116.4766 57.8259 63.2894 175.3294 70 A 3.9862 7.9224 125.6377 55.5003 18.1265 179.2372 71 Y 4.0781 8.0500 117.2231 61.1122 38.9684 178.0242 72 N 4.1510 8.1613 116.7650 56.3395 38.6819 177.3992 73 I 3.6523 7.8486 121.2753 64.0410 37.1755 178.2813 74 L 3.8887 8.1555 121.6193 58.2015 41.7246 178.7232 75 N 4.1846 7.6618 115.2955 56.0471 38.8061 176.8222 76 L 4.0194 7.6685 121.5281 58.5608 42.0249 179.0911 77 M 4.1362 7.9062 116.9575 57.7511 31.9538 177.9028 78 L 4.3413 7.6511 117.0655 54.6069 42.2781 176.8831 79 M 4.2265 7.2056 119.9385 54.8008 32.3587 176.2519 80 N 4.6571 8.6624 121.3924 53.3312 39.5765 174.6238 81 F 4.6934 9.0720 123.1425 56.3099 41.0348 175.7637 82 S 3.9773 8.2553 125.2564 61.3239 62.8826 175.2768 83 Y 4.2981 7.1043 115.9054 58.3661 38.6722 175.2739 84 S 5.1397 8.1986 115.7939 57.4946 63.2225 174.9901 85 I 3.8906 8.5377 120.2821 63.1599 37.4055 176.6116 86 N 4.8080 7.8980 115.9005 52.0616 37.4289 174.5491 87 E 4.0965 8.5499 117.4401 56.9738 28.8891 173.3604 88 L 5.1396 7.9971 114.8116 53.1483 45.8236 175.5948 89 V 4.2529 8.1828 120.1151 61.8076 32.9925 174.8793 90 E 4.7744 9.4593 126.3890 54.7478 32.4436 174.7351 91 L 5.2297 8.3351 121.5267 53.4029 44.3256 175.5591 92 H 4.9962 9.4540 121.3033 53.8451 32.1054 172.8145 93 R 5.2158 8.7242 122.4853 54.6133 32.2303 174.7221 94 S 4.8791 8.9033 119.9039 55.9945 66.3147 173.6396 95 D 4.4876 8.7649 119.5733 57.4461 40.7850 177.8290 96 E 4.2319 8.0238 117.3695 57.7700 31.1234 176.1266 97 Y 5.5890 8.0154 115.1320 56.0514 42.7974 174.6696 98 L 5.0361 9.2420 124.0628 53.6974 44.3122 174.6841 99 Q 5.2529 9.4560 128.8210 54.3738 31.4995 173.7923 100 L 5.0595 9.0116 128.9995 54.2117 43.8478 175.1974 101 R 5.5219 9.4005 126.2931 55.0266 34.1531 173.9067 102 V 4.7897 9.0219 124.1907 60.2528 35.5471 173.5178 103 V 4.8031 8.4803 122.8677 61.4200 33.6018 174.1945 104 I 5.0892 8.7836 129.6244 59.8930 38.5362 176.3212 105 K 4.1938 9.1390 126.0089 56.3403 32.2570 177.9246 106 D 4.4439 8.6960 121.2283 57.1820 41.3666 178.1426 107 D 4.2887 7.8324 117.6028 56.5549 40.7846 176.4126 108 Y 5.0133 7.6009 114.6732 57.9214 38.3416 176.2304 109 V 4.3321 7.5952 111.5682 61.5231 32.0301 175.7048 110 H 4.8342 8.1876 113.8930 54.7135 29.9360 173.6453 111 D 4.6248 7.9437 119.7611 52.0397 43.6318 175.7419 112 G 3.7013 8.8291 115.0623 48.5803 0.0000 174.7150 113 I 3.7994 7.7837 121.5250 64.2854 37.5233 178.3163 114 V 3.7392 7.9316 118.6948 65.9875 31.4894 177.7435 115 F 4.0811 8.7161 120.4692 60.9892 39.0984 176.9159 116 A 3.9522 8.1175 120.8340 55.0621 18.0760 179.2165 117 E 3.8308 7.8784 117.3612 59.2202 29.5694 179.1270 118 I 3.2311 7.0020 119.3874 64.1986 37.0860 178.2265 119 L 3.9070 7.5940 119.8588 57.9094 41.4130 179.0463 120 H 4.1590 8.3569 118.2660 59.4394 29.8427 177.2667 121 E 4.0674 8.5391 120.5864 59.2884 29.2996 179.0461 122 F 4.1526 8.7836 121.1244 61.3928 39.3607 176.5237 123 Y 4.0006 8.4833 119.4216 60.8823 38.6644 178.1469 124 Q 4.0755 8.2064 118.9386 59.0103 28.7552 179.0200 125 R 3.8488 8.0312 119.1714 59.3064 30.0414 178.9814 126 M 4.0040 7.7065 118.5939 58.3096 31.8996 178.5662 127 E 3.8022 8.0150 118.9408 59.3683 29.3609 179.5659 128 I 3.5935 7.2407 118.5024 64.2072 37.5900 177.9742 129 L 3.8255 7.6075 121.1633 58.0397 41.5841 178.4002 130 N 4.3925 8.4801 117.5421 56.7226 38.6429 177.0151 131 G 3.6255 7.9719 105.9724 46.6460 0.0000 175.0540 132 V 4.2627 7.2575 111.5229 60.9530 32.2017 175.8161 133 L 4.2671 7.4228 124.5987 54.7998 41.7290 176.1982 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 8.30 4.50 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 S 7.63 4.50 0.00 3.82 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 3 N 9.13 4.76 0.00 3.00 3.02 0.00 0.00 6.95 7.40 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 4 I 7.39 3.64 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 1.51 1.17 0.89 0.00 0.00 5 N 8.06 4.35 0.00 2.77 2.81 0.00 0.00 6.75 6.74 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 6 L 7.75 3.84 0.00 1.70 1.79 0.75 0.90 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 7 V 8.04 3.57 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 0.98 0.00 0.00 8 Q 8.17 3.93 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 9 L 7.84 3.85 0.00 1.72 1.58 0.80 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.84 3.74 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 1.10 0.00 0.00 1.06 0.00 0.00 11 R 8.25 3.97 0.00 2.16 2.06 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 12 D 8.34 4.45 0.00 2.89 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 13 S 8.33 4.35 0.00 4.20 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 14 L 8.28 4.08 0.00 1.71 1.69 0.92 1.08 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 15 F 8.02 3.85 0.00 3.35 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 16 T 7.66 4.12 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 1.24 0.00 0.00 17 I 7.59 3.92 1.95 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 1.42 0.60 0.83 0.00 0.00 18 G 7.74 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 0.00 0.00 0.00 19 C 7.52 4.36 0.00 2.89 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 20 P 0.00 4.43 0.00 2.14 2.07 0.00 3.61 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 1.99 1.88 0.00 21 P 0.00 4.60 0.00 2.23 2.31 0.00 3.58 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 2.03 1.92 0.00 22 S 7.59 4.28 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 4.03 2.02 0.00 0.00 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 1.46 0.70 0.87 0.00 0.00 24 I 7.15 4.88 1.86 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 1.27 1.14 0.92 0.00 0.00 25 T 8.91 4.95 4.22 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 1.19 0.00 0.00 26 D 8.28 4.87 0.00 2.65 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 27 L 8.61 4.23 0.00 1.68 1.77 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.31 4.56 0.00 2.87 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 29 S 8.51 4.67 0.00 3.90 4.07 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 30 H 8.58 4.83 0.00 3.15 3.32 0.00 5.64 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 31 S 7.58 4.62 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 32 A 8.31 4.47 1.41 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 33 I 8.76 4.58 1.94 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 0.73 0.92 0.00 0.00 34 T 8.88 4.90 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 1.10 0.00 0.00 35 I 8.55 4.74 1.84 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 1.21 1.00 0.89 0.00 0.00 36 S 8.75 4.68 0.00 3.73 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 37 L 8.32 4.77 0.00 1.61 1.65 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.56 4.43 0.00 2.69 2.58 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 39 S 8.96 4.06 0.00 4.08 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 40 M 7.31 4.80 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 41 P 0.00 4.16 0.00 1.40 1.69 0.00 3.24 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 0.49 1.53 0.00 42 A 7.96 4.31 1.13 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 0.00 0.00 43 I 8.29 4.14 1.85 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.86 0.00 0.00 44 N 8.53 4.90 0.00 1.44 1.42 0.00 0.00 6.34 7.26 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 45 I 8.37 5.16 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 1.02 0.00 0.00 46 A 9.18 4.92 1.50 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 47 L 8.53 4.68 0.00 1.70 1.63 0.99 0.84 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 48 V 8.88 4.13 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 0.89 0.00 0.00 0.85 0.00 0.00 49 N 9.41 4.43 0.00 2.89 2.85 0.00 0.00 7.11 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 50 E 8.35 3.84 0.00 2.07 2.01 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 2.20 2.38 0.00 51 Q 7.64 4.61 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 52 V 8.35 4.39 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 1.11 0.00 0.00 0.88 0.00 0.00 53 M 9.37 5.31 0.00 2.21 1.89 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 2.62 2.69 0.00 54 L 8.90 5.43 0.00 0.57 0.79 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.59 5.95 0.00 3.53 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 56 A 9.46 4.88 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 57 N 8.48 4.93 0.00 1.90 1.42 0.00 0.00 7.00 7.45 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 58 F 8.99 4.67 0.00 3.20 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 59 D 8.95 5.03 0.00 2.68 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 60 A 8.85 4.32 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 61 P 0.00 4.50 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 62 S 8.26 4.41 0.00 4.07 4.05 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 0.00 0.00 0.00 0.00 63 D 8.54 4.38 0.00 2.71 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 64 V 7.71 3.67 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 0.93 0.00 0.00 0.93 0.00 0.00 65 K 7.98 3.96 0.00 1.89 1.96 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 L 8.01 3.97 0.00 1.96 1.80 0.90 0.50 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 67 Q 7.92 3.97 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 S 7.97 4.35 0.00 4.10 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 69 S 7.64 4.67 0.00 3.96 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 70 A 7.92 3.99 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 71 Y 8.05 4.08 0.00 2.95 2.98 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 72 N 8.16 4.15 0.00 2.88 2.78 0.00 0.00 7.09 7.29 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 73 I 7.85 3.65 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.83 0.00 0.00 74 L 8.16 3.89 0.00 1.79 1.77 0.90 0.71 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 75 N 7.66 4.18 0.00 2.61 2.65 0.00 0.00 7.03 7.34 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 76 L 7.67 4.02 0.00 1.67 1.76 0.83 0.81 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 77 M 7.91 4.14 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.85 0.00 78 L 7.65 4.34 0.00 1.59 1.69 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 M 7.21 4.23 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.49 0.00 80 N 8.66 4.66 0.00 2.72 2.77 0.00 0.00 6.81 7.45 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 81 F 9.07 4.69 0.00 3.06 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 82 S 8.26 3.98 0.00 2.87 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 83 Y 7.10 4.30 0.00 3.04 2.93 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 84 S 8.20 5.14 0.00 4.23 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 0.00 85 I 8.54 3.89 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 1.02 0.00 0.00 86 N 7.90 4.81 0.00 2.84 2.95 0.00 0.00 6.96 8.81 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 87 E 8.55 4.10 0.00 2.29 2.11 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 2.22 2.29 0.00 88 L 8.00 5.14 0.00 1.86 1.52 0.96 0.63 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 89 V 8.18 4.25 2.01 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 0.80 0.00 0.00 0.50 0.00 0.00 90 E 9.46 4.77 0.00 2.07 1.76 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 2.25 2.30 0.00 91 L 8.34 5.23 0.00 1.45 1.53 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.45 5.00 0.00 3.06 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.72 5.22 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 94 S 8.90 4.88 0.00 3.96 3.86 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 95 D 8.76 4.49 0.00 2.63 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 96 E 8.02 4.23 0.00 1.24 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 2.15 2.17 0.00 97 Y 8.02 5.59 0.00 3.00 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 98 L 9.24 5.04 0.00 1.82 1.64 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.46 5.25 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.78 0.00 100 L 9.01 5.06 0.00 2.03 1.73 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.40 5.52 0.00 2.01 1.84 0.00 3.30 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 102 V 9.02 4.79 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 0.51 0.00 0.00 0.93 0.00 0.00 103 V 8.48 4.80 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 0.96 0.00 0.00 104 I 8.78 5.09 2.11 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 1.38 1.20 1.32 0.00 0.00 105 K 9.14 4.19 0.00 1.89 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.80 7.81 106 D 8.70 4.44 0.00 2.77 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 0.00 107 D 7.83 4.29 0.00 1.58 2.25 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 0.00 108 Y 7.60 5.01 0.00 3.20 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 0.00 109 V 7.60 4.33 1.83 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 0.89 0.00 0.00 0.73 0.00 0.00 110 H 8.19 4.83 0.00 3.10 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.94 4.62 0.00 2.75 2.58 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 0.00 112 G 8.83 3.70 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 0.00 0.00 0.00 113 I 7.78 3.80 2.02 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 1.43 0.60 0.93 0.00 0.00 114 V 7.93 3.74 2.35 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 1.16 0.00 0.00 1.10 0.00 0.00 115 F 8.72 4.08 0.00 3.16 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 0.00 116 A 8.12 3.95 1.47 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 0.00 0.00 117 E 7.88 3.83 0.00 2.05 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 2.33 2.38 0.00 118 I 7.00 3.23 1.28 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.68 0.00 0.00 119 L 7.59 3.91 0.00 1.72 1.67 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.36 4.16 0.00 3.26 3.51 0.00 5.78 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 0.00 121 E 8.54 4.07 0.00 2.20 2.23 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 2.40 2.64 0.00 122 F 8.78 4.15 0.00 3.19 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 0.00 123 Y 8.48 4.00 0.00 3.21 3.17 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 0.00 124 Q 8.21 4.08 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 125 R 8.03 3.85 0.00 1.61 1.78 0.00 3.30 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 126 M 7.71 4.00 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.50 0.00 127 E 8.01 3.80 0.00 2.00 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 1.97 1.64 0.00 128 I 7.24 3.59 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.49 0.81 0.00 0.00 129 L 7.61 3.83 0.00 1.41 1.22 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.48 4.39 0.00 3.13 2.94 0.00 0.00 7.14 8.18 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 0.00 131 G 7.97 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 0.00 0.00 0.00 132 V 7.26 4.26 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 0.81 0.00 0.00 0.91 0.00 0.00 133 L 7.42 4.27 0.00 1.56 1.55 0.70 0.65 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