NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9325 8.3549 109.7385 45.3527 0.0000 173.6292 6 M 4.0855 8.2480 120.0466 53.9643 32.7596 174.8993 7 A 4.4536 8.3928 123.6699 51.9953 20.6230 176.6324 8 S 4.7998 10.7700 113.2360 55.7849 65.3743 175.3934 9 K 3.7564 8.5312 124.2298 58.7307 32.3391 177.3518 10 W 4.8667 7.7699 118.2258 56.8771 30.3633 177.3753 11 D 4.5879 8.4559 120.1503 57.6773 40.3542 178.4435 12 Q 3.9034 8.0442 119.2533 59.0093 29.1066 178.1275 13 K 4.0225 8.0468 120.2566 59.4097 32.3795 178.8453 14 G 2.3806 8.0254 106.3548 47.6892 0.0000 175.3939 15 M 4.1675 7.8899 120.8096 57.9971 32.1576 178.1656 16 D 4.3839 7.8886 118.9651 57.3071 41.0345 178.5337 17 I 3.6844 7.6700 120.0305 64.3621 37.0346 178.2732 18 A 4.0459 7.9982 121.4838 55.4535 18.1747 179.0634 19 Y 4.0705 8.2797 118.0644 60.9129 38.7642 178.0966 20 E 3.7756 8.4611 119.6143 59.3160 29.3878 179.2107 21 E 3.9068 8.2795 118.4832 59.3775 29.6856 179.2900 22 A 3.9679 8.1760 121.0396 54.9363 18.3541 179.7283 23 L 3.8115 7.7217 117.9957 57.4440 41.6427 179.1609 24 L 3.9405 7.9927 120.7643 58.2861 42.0316 179.3431 25 G 3.6147 7.9290 105.5772 47.5143 0.0000 174.9444 26 Y 4.0543 7.7408 121.2843 60.6335 38.6419 178.1660 27 K 3.8622 7.9138 118.0459 59.4534 32.4154 178.6546 28 E 4.1730 8.1495 117.1904 57.2643 29.1169 178.4099 29 G 3.8893 8.0024 107.9871 45.0244 0.0000 173.6663 30 G 4.0143 7.4526 109.1241 43.4527 0.0000 173.0072 31 V 2.6334 8.1614 119.9767 61.6135 31.9140 176.4515 32 P 4.7161 0.0000 0.0000 62.4508 29.0460 174.6254 33 I 4.5201 7.4650 122.7540 60.5163 41.7383 175.0139 34 G 4.3987 8.4783 113.2929 44.5843 0.0000 170.8617 35 G 4.6331 8.8784 105.9357 46.4963 0.0000 172.0485 36 C 5.2915 8.8109 113.0378 57.1153 33.4526 172.5690 37 L 5.2532 8.8318 122.8118 53.6029 44.2010 175.2250 38 I 5.1433 8.4031 125.3489 59.3171 42.0774 174.0464 39 N 4.7234 8.5873 125.0310 53.3891 39.2735 175.9188 40 N 4.5733 9.1140 124.2928 55.7112 38.6439 176.2961 41 K 4.3299 8.8778 119.1540 58.1400 32.6320 177.4548 42 D 4.5335 7.9764 117.4052 52.9781 40.2203 177.1777 43 G 2.0000 7.0698 107.3961 45.4780 0.0000 174.1201 44 S 4.1170 7.6441 115.6439 58.2086 64.2479 173.6649 45 V 4.3366 7.9830 122.5476 61.5319 31.2065 175.6035 46 L 4.1096 8.9901 129.7992 56.7228 42.8002 177.3510 47 G 4.1045 7.6351 105.3961 46.4765 0.0000 172.3335 48 R 5.0747 8.0973 115.3510 54.9149 32.3454 173.9799 49 G 4.3034 8.3776 105.6448 44.4671 0.0000 171.3258 50 H 5.5701 8.3878 114.5916 53.2788 32.1535 172.6906 51 N 4.4488 8.6679 117.7161 54.6129 39.1260 174.3544 52 M 5.0002 8.9576 123.6529 54.3425 33.0925 177.4058 53 R 4.7275 8.9295 121.3307 59.0829 30.2323 178.8620 54 F 4.0706 8.4370 114.4565 60.3833 39.3181 177.1561 55 Q 4.2472 8.2645 118.9456 58.2983 28.7257 177.5954 56 K 4.6066 8.0211 114.0813 54.9973 34.6143 176.2749 57 G 3.8605 8.0215 105.9949 46.5647 0.0000 173.9260 58 S 4.5639 8.0823 112.7690 56.3812 63.9238 173.9275 59 A 4.4832 8.5357 129.5470 52.6768 19.2343 177.1630 60 T 4.4599 7.5709 103.3986 61.1731 71.2270 174.7612 61 L 4.3358 8.0009 125.3875 54.2411 40.3534 175.3684 62 H 4.9938 7.7648 118.7840 54.9441 31.4135 176.3875 63 G 3.8221 8.6924 108.1773 48.5430 0.0000 175.7132 64 E 4.0828 8.2025 120.5758 59.0479 29.5216 179.4110 65 I 3.7846 7.7362 119.4645 64.3946 37.2137 178.1539 66 S 4.0941 8.6125 114.4117 61.6356 61.9348 176.3547 67 T 3.8742 7.6962 117.3727 66.7416 68.6497 176.2484 68 L 4.1692 7.8672 120.6092 57.7439 41.6243 179.2073 69 E 3.9719 8.4430 119.3517 59.4344 29.4428 178.4927 70 N 4.5325 8.2860 114.7033 55.5632 38.6383 176.5136 71 C 4.5050 7.2421 118.8238 59.2093 28.5838 174.4364 72 G 3.9029 7.7549 107.7132 44.2723 0.0000 173.0626 73 R 4.1289 8.2328 117.7044 56.1771 30.4152 176.5450 74 L 4.8075 8.0981 121.0218 52.5435 46.0552 176.0120 75 E 4.1840 8.5562 120.2557 56.0672 30.5759 178.0925 76 G 4.2156 9.2072 111.0581 48.3236 0.0000 175.7039 77 K 3.9326 8.2993 121.1340 59.8671 31.9476 178.6420 78 V 3.4788 7.5838 118.2592 66.3358 31.6398 177.3983 79 Y 4.2112 7.8980 115.8821 60.6794 37.4891 178.0490 80 K 4.0848 7.9107 118.6825 59.0098 32.8799 176.0370 81 D 5.1338 7.8544 117.3121 53.9670 39.4384 173.7853 82 T 5.2903 7.8097 108.1041 60.2736 73.9292 173.5936 83 T 4.8693 8.6480 117.0817 61.6467 72.4345 173.0938 84 L 4.8033 8.7384 129.0218 54.2167 43.9090 174.5355 85 Y 5.1048 9.1453 124.7637 56.7277 40.2141 174.7224 86 T 5.3280 9.0295 118.6753 60.5140 70.8978 174.6366 87 T 4.2704 8.9584 118.5034 63.7105 69.9339 173.7281 88 L 5.1678 7.6523 122.9865 52.7657 45.5821 175.8987 89 S 4.3390 8.6265 119.6575 58.0971 62.6444 172.5271 90 P 5.0511 0.0000 0.0000 62.6188 31.6651 176.4469 91 C 4.8376 8.6220 116.3752 57.5890 32.4834 174.4209 92 E 4.0097 8.7338 119.3053 59.5165 28.9658 179.3880 93 M 4.0026 7.9641 117.8841 59.0409 32.6145 178.0239 94 C 4.2656 8.1099 116.2929 62.9255 28.1799 176.1594 95 T 4.0273 8.4732 118.1508 66.6145 67.9922 176.8717 96 G 3.6783 8.3550 107.4507 47.6857 0.0000 175.5859 97 A 3.9417 7.9511 122.6477 55.0431 18.5666 179.7450 98 I 3.6889 7.6207 117.8290 64.7267 36.8646 178.8328 99 I 3.7036 7.7670 120.6218 64.3149 36.6502 178.2394 100 M 3.9655 7.9750 118.5300 58.7825 32.2326 177.4710 101 Y 4.2726 7.6062 114.2110 58.2854 38.1263 176.5155 102 G 3.8446 7.4852 106.5616 45.8275 0.0000 173.7029 103 I 4.0620 7.5716 120.3188 60.5143 36.4612 174.5075 104 P 4.4494 0.0000 0.0000 64.7661 32.4440 176.0674 105 R 5.0782 7.7663 119.0627 54.6207 33.8418 173.2691 106 C 5.0528 9.1581 125.9014 57.6299 34.7914 172.3996 107 V 4.6835 8.4510 126.7882 61.3929 33.2858 174.1766 108 I 4.8573 9.2200 130.3073 59.6810 39.0952 176.9181 109 G 3.7713 9.4310 115.6534 49.0341 0.0000 173.0712 110 E 5.2212 7.8914 116.2294 54.6432 33.2669 175.0325 111 N 5.4962 8.4625 116.4356 51.6666 38.2934 175.7278 112 V 3.8879 8.4410 120.9790 66.2727 31.9542 177.1135 113 N 4.5872 8.4135 115.6381 55.6320 38.7040 175.0857 114 F 5.0010 7.8716 117.9770 57.1208 42.4129 172.5396 115 K 4.1245 7.2591 126.8544 55.1524 34.6053 174.7026 116 S 4.6285 7.8644 119.5673 55.8059 65.8872 174.7020 117 K 4.2586 8.4255 118.6338 58.2713 31.4321 179.5076 118 G 3.9459 7.9859 108.5541 47.1018 0.0000 175.1623 119 E 3.9589 7.8437 120.6173 59.2123 29.6330 179.0484 120 K 4.0603 8.0213 118.9680 59.5029 32.3736 177.9278 121 Y 4.2744 8.2742 120.1050 60.5950 38.6696 178.0018 122 L 3.8493 8.3530 120.2786 58.0202 41.9025 179.5660 123 Q 4.5984 7.5664 118.2789 58.9321 28.4308 179.0809 124 T 3.9643 7.9118 115.6402 66.0522 68.4064 175.7611 125 R 4.3872 7.4466 118.3225 55.6270 30.2574 176.8615 126 G 3.8263 7.8039 105.6769 46.2779 0.0000 173.2928 127 H 4.9137 8.1316 116.1531 53.7087 31.6432 173.6516 128 E 4.7031 9.0522 122.0898 55.5351 30.9873 175.5051 129 V 4.8363 8.3966 123.6899 61.0124 34.4370 174.5735 130 V 4.4223 8.8403 127.2450 61.0644 34.5162 174.0119 131 V 4.7350 8.4472 127.8280 61.4929 32.0688 175.4123 132 V 3.7369 9.1909 129.2893 62.5766 32.2251 175.2186 133 D 4.2936 8.0267 118.0204 55.0253 39.3052 173.4176 134 D 4.4099 8.6815 119.6085 54.0177 41.8610 176.5108 135 E 4.0041 8.7443 126.9327 59.1817 29.4768 179.4647 136 R 3.7397 7.8604 118.3546 59.2859 29.9428 178.7406 137 C 4.2232 8.0113 115.8093 62.7637 28.2016 175.7102 138 K 4.2609 7.9555 122.3891 58.8955 31.8543 178.6007 139 K 3.8697 8.2220 119.8489 59.3030 32.0857 178.5526 140 L 3.7635 8.0074 120.6348 58.4025 42.0559 178.6902 141 M 3.9139 8.2195 118.4270 58.2548 32.0304 177.9616 142 K 3.7980 8.1801 120.1441 59.4064 32.3256 178.5956 143 Q 3.8703 7.8929 119.4164 59.0643 28.9629 177.7534 144 F 4.3937 7.7970 122.5858 60.7971 39.1666 177.0148 145 I 3.4792 7.3472 117.9017 64.6137 36.9706 177.9144 146 D 4.4229 7.6168 118.1941 56.8716 40.7858 178.0116 147 E 4.2418 8.1672 117.5479 57.4114 31.3022 176.6705 148 R 4.6101 7.8152 118.9858 52.7580 31.2131 173.9766 149 P 4.0042 0.0000 0.0000 66.5224 31.5365 178.2743 150 Q 4.2850 8.0287 117.1007 58.6378 28.4447 178.2771 151 D 4.6968 8.0690 119.0256 56.8853 41.2724 178.1659 152 W 4.7609 8.2284 128.5578 60.6780 30.7261 177.7612 153 F 4.1945 8.1081 118.0770 60.9508 38.5229 177.3968 154 E 3.9183 8.2694 118.2000 59.3688 29.1683 178.3408 155 D 4.4481 7.9547 117.4539 56.0028 41.1901 176.6282 156 I 4.1403 6.8949 111.2261 59.8307 37.8306 175.1802 157 G 3.9336 7.5403 106.8452 47.5431 0.0000 174.2765 158 E 4.1765 8.3594 124.1706 56.0273 29.6785 176.2894 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 5 G 8.35 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 6 M 8.25 4.09 0.00 2.11 2.02 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 2.61 2.60 0.00 7 A 8.39 4.45 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 8 S 10.77 4.80 0.00 3.91 3.99 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 0.00 0.00 0.00 9 K 8.53 3.76 0.00 1.26 1.61 0.00 1.31 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.04 0.21 7.81 10 W 7.77 4.87 0.00 3.59 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 11 D 8.46 4.59 0.00 2.81 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 12 Q 8.04 3.90 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 13 K 8.05 4.02 0.00 1.97 2.09 0.00 1.96 0.00 0.00 1.98 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 14 G 8.03 2.38 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 0.00 0.00 0.00 0.00 15 M 7.89 4.17 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 16 D 7.89 4.38 0.00 2.90 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 17 I 7.67 3.68 2.00 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 1.66 0.98 0.92 0.00 0.00 18 A 8.00 4.05 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 19 Y 8.28 4.07 0.00 3.11 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 20 E 8.46 3.78 0.00 2.21 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 0.00 2.36 2.65 0.00 21 E 8.28 3.91 0.00 2.22 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 2.53 2.68 0.00 22 A 8.18 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.72 3.81 0.00 1.59 1.55 0.68 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.99 3.94 0.00 1.84 1.48 0.93 1.30 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 25 G 7.93 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.74 4.05 0.00 3.14 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 27 K 7.91 3.86 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.80 7.81 28 E 8.15 4.17 0.00 2.17 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 2.32 2.52 0.00 29 G 8.00 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 0.00 0.00 0.00 30 G 7.45 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 31 V 8.16 2.63 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 0.68 0.00 0.00 1.04 0.00 0.00 32 P 0.00 4.72 0.00 2.02 2.04 0.00 2.55 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 33 I 7.46 4.52 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 0.96 0.00 0.00 34 G 8.48 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.88 4.63 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 36 C 8.81 5.29 0.00 3.20 3.05 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 37 L 8.83 5.25 0.00 1.81 1.55 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.40 5.14 2.12 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 1.21 0.77 0.76 0.00 0.00 39 N 8.59 4.72 0.00 2.68 2.68 0.00 0.00 7.16 6.87 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 40 N 9.11 4.57 0.00 3.00 2.99 0.00 0.00 7.06 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 41 K 8.88 4.33 0.00 1.92 1.83 0.00 1.65 0.00 0.00 2.07 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 42 D 7.98 4.53 0.00 2.66 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 43 G 7.07 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.64 4.12 0.00 3.67 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.98 4.34 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 0.82 0.00 0.00 0.88 0.00 0.00 46 L 8.99 4.11 0.00 1.59 1.59 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.64 4.10 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 0.00 0.00 0.00 48 R 8.10 5.07 0.00 1.90 1.88 0.00 3.09 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 49 G 8.38 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.39 5.57 0.00 3.19 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.67 4.45 0.00 2.79 3.02 0.00 0.00 7.01 6.98 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 52 M 8.96 5.00 0.00 2.05 2.01 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 2.47 2.70 0.00 53 R 8.93 4.73 0.00 1.88 2.16 0.00 3.17 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.63 0.00 54 F 8.44 4.07 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.26 4.25 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.87 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 56 K 8.02 4.61 0.00 1.78 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 57 G 8.02 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 0.00 0.00 0.00 58 S 8.08 4.56 0.00 3.84 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 59 A 8.54 4.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.57 4.46 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 1.18 0.00 0.00 61 L 8.00 4.34 0.00 1.74 1.69 0.92 1.34 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 62 H 7.76 4.99 0.00 3.18 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.69 3.82 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 0.00 0.00 0.00 64 E 8.20 4.08 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 65 I 7.74 3.78 2.17 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 1.56 0.99 0.95 0.00 0.00 66 S 8.61 4.09 0.00 3.89 4.04 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 0.00 0.00 0.00 67 T 7.70 3.87 4.47 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 1.26 0.00 0.00 68 L 7.87 4.17 0.00 1.94 1.76 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.44 3.97 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 70 N 8.29 4.53 0.00 2.87 2.86 0.00 0.00 7.13 8.41 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 71 C 7.24 4.51 0.00 3.15 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 72 G 7.75 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 0.00 0.00 0.00 73 R 8.23 4.13 0.00 1.83 1.92 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 74 L 8.10 4.81 0.00 1.17 1.18 0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.56 4.18 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 2.40 2.24 0.00 76 G 9.21 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 0.00 0.00 0.00 0.00 77 K 8.30 3.93 0.00 2.00 2.14 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 78 V 7.58 3.48 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.84 0.00 0.00 79 Y 7.90 4.21 0.00 3.31 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 80 K 7.91 4.08 0.00 1.93 1.94 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.82 1.60 7.81 81 D 7.85 5.13 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 5.29 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 1.20 0.00 0.00 83 T 8.65 4.87 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 0.37 0.00 0.00 84 L 8.74 4.80 0.00 1.76 1.50 0.97 1.08 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 85 Y 9.15 5.10 0.00 3.07 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 86 T 9.03 5.33 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 87 T 8.96 4.27 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 88 L 7.65 5.17 0.00 1.67 1.63 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.63 4.34 0.00 4.02 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 90 P 0.00 5.05 0.00 2.31 2.19 0.00 3.50 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 91 C 8.62 4.84 0.00 3.38 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.73 4.01 0.00 2.09 2.03 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 2.33 2.42 0.00 93 M 7.96 4.00 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 94 C 8.11 4.27 0.00 3.11 3.04 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 0.00 0.00 0.00 95 T 8.47 4.03 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 96 G 8.36 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.95 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.69 2.01 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 1.55 1.22 0.90 0.00 0.00 99 I 7.77 3.70 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.15 0.87 0.00 0.00 100 M 7.97 3.97 0.00 1.64 1.99 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 101 Y 7.61 4.27 0.00 2.86 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 0.00 0.00 0.00 0.00 102 G 7.49 3.84 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 0.00 0.00 0.00 103 I 7.57 4.06 1.94 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 1.52 0.68 0.98 0.00 0.00 104 P 0.00 4.45 0.00 2.11 2.30 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 105 R 7.77 5.08 0.00 1.82 1.70 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 106 C 9.16 5.05 0.00 2.97 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 0.00 107 V 8.45 4.68 2.03 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 1.21 0.00 0.00 0.86 0.00 0.00 108 I 9.22 4.86 1.92 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 1.22 0.56 1.02 0.00 0.00 109 G 9.43 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 0.00 110 E 7.89 5.22 0.00 2.13 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 2.28 2.50 0.00 111 N 8.46 5.50 0.00 2.77 2.94 0.00 0.00 6.32 7.68 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 0.00 112 V 8.44 3.89 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 0.79 0.00 0.00 0.94 0.00 0.00 113 N 8.41 4.59 0.00 2.87 2.73 0.00 0.00 6.62 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 0.00 114 F 7.87 5.00 0.00 3.47 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.26 4.12 0.00 1.74 1.44 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.20 1.46 7.81 116 S 7.86 4.63 0.00 4.15 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 0.00 117 K 8.43 4.26 0.00 1.76 1.86 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 118 G 7.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.84 3.96 0.00 2.10 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 2.33 2.35 0.00 120 K 8.02 4.06 0.00 1.93 1.96 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.61 7.81 121 Y 8.27 4.27 0.00 3.14 3.13 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 0.00 122 L 8.35 3.85 0.00 1.91 1.70 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.57 4.60 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 124 T 7.91 3.96 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 1.22 0.00 0.00 125 R 7.45 4.39 0.00 1.73 1.78 0.00 3.09 0.00 0.00 2.67 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.85 0.00 126 G 7.80 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 0.00 127 H 8.13 4.91 0.00 3.14 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 9.05 4.70 0.00 2.00 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 2.24 0.00 129 V 8.40 4.84 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 0.80 0.00 0.00 1.00 0.00 0.00 130 V 8.84 4.42 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 0.93 0.00 0.00 1.02 0.00 0.00 131 V 8.45 4.74 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 0.87 0.00 0.00 0.99 0.00 0.00 132 V 9.19 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 0.77 0.00 0.00 1.00 0.00 0.00 133 D 8.03 4.29 0.00 2.84 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 0.00 134 D 8.68 4.41 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.74 4.00 0.00 1.94 1.93 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 2.35 2.30 0.00 136 R 7.86 3.74 0.00 1.24 0.84 0.00 2.37 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 137 C 8.01 4.22 0.00 3.12 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 0.00 138 K 7.96 4.26 0.00 1.90 1.78 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.30 7.81 139 K 8.22 3.87 0.00 1.85 2.00 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 140 L 8.01 3.76 0.00 1.90 1.86 0.18 0.55 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 0.00 141 M 8.22 3.91 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 142 K 8.18 3.80 0.00 1.99 1.95 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.45 7.81 143 Q 7.89 3.87 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 144 F 7.80 4.39 0.00 3.15 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 0.00 145 I 7.35 3.48 1.70 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.73 0.00 0.00 146 D 7.62 4.42 0.00 2.69 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 0.00 147 E 8.17 4.24 0.00 2.11 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 0.00 2.34 2.08 0.00 148 R 7.82 4.61 0.00 0.67 1.58 0.00 2.95 0.00 0.00 2.83 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.00 149 P 0.00 4.00 0.00 2.13 2.27 0.00 3.53 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 2.05 2.05 0.00 150 Q 8.03 4.28 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 151 D 8.07 4.70 0.00 2.93 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 0.00 152 W 8.23 4.76 0.00 3.58 3.09 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 0.00 153 F 8.11 4.19 0.00 3.29 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 0.00 154 E 8.27 3.92 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 155 D 7.95 4.45 0.00 2.96 2.47 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 0.00 156 I 6.89 4.14 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.62 -0.19 0.00 0.00 157 G 7.54 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 0.00 158 E 8.36 4.18 0.00 2.00 1.66 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 2.36 2.39 0.00