NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4033 8.3049 120.3479 54.9999 33.4136 174.7071 2 L 4.1347 8.2358 123.7222 53.8635 42.3700 176.2457 3 K 4.1413 8.8731 123.0576 58.1795 33.4851 176.4597 4 Q 4.7143 7.7047 118.5844 53.8514 31.8400 175.1902 5 V 4.1077 8.5003 125.6409 62.7883 32.3640 174.3859 6 E 5.0663 8.9114 127.3493 54.6030 32.2644 175.0362 7 I 4.8342 8.0752 124.3023 59.4786 41.2466 174.4545 8 F 5.6666 10.1836 124.9111 54.8347 42.3380 174.1976 9 T 5.3202 8.5132 112.5174 60.4434 71.9773 172.5147 10 N 4.8464 8.9506 118.7215 52.9868 42.8911 173.4069 11 G 4.4342 8.7777 110.6634 44.9671 0.0000 171.6928 12 S 4.9505 9.0112 115.8362 57.4170 67.9935 172.8184 13 C 5.0367 8.3272 120.8697 58.6089 33.7203 173.7943 14 L 4.2504 9.6134 126.8435 56.5407 42.1413 176.5141 15 G 4.1482 7.6273 105.6701 44.6877 0.0000 171.7473 16 N 5.0557 8.2657 113.0621 52.0111 39.1091 173.1977 17 P 4.6277 0.0000 0.0000 62.0020 33.9371 175.2950 18 G 4.0258 8.2726 106.3040 45.0228 0.0000 170.7981 19 P 5.0226 0.0000 0.0000 62.8524 32.6185 176.5072 20 G 4.2449 8.7094 109.8194 46.4050 0.0000 170.9518 21 G 4.7407 8.7988 106.3006 46.3048 0.0000 171.8801 22 Y 5.6112 8.2449 117.1279 55.1584 42.1971 174.8046 23 G 4.6516 9.7059 106.7902 44.6323 0.0000 171.5565 24 A 5.5687 9.3548 126.0368 50.6037 23.2360 174.8066 25 I 5.1029 8.9735 122.6697 59.4069 41.0964 174.4365 26 L 5.2688 8.6921 128.1876 53.4645 45.8113 175.1932 27 R 4.7781 10.1437 125.9263 54.2048 31.5152 174.5417 28 Y 5.1121 8.0268 124.9388 56.3661 42.5840 174.4079 29 R 3.8864 9.2358 126.9073 57.5255 27.7063 177.0632 30 G 4.0769 8.9977 112.5033 45.8759 0.0000 171.9718 31 R 4.4846 7.6530 119.1871 54.1654 32.4329 174.8060 32 E 4.6675 8.2065 119.0308 54.3913 30.9600 174.6961 33 K 4.1750 8.7301 126.3572 56.0940 33.7366 176.2367 34 T 4.6723 7.9127 119.7466 61.7432 71.5076 173.2724 35 F 5.1440 9.0019 124.9589 55.8849 42.6646 174.4104 36 S 4.8560 8.7378 112.2126 58.4297 64.9522 175.0909 37 A 4.2880 6.9525 125.1118 51.0102 22.3946 175.1384 38 G 4.3906 8.1932 106.3257 44.5315 0.0000 171.5937 39 Y 5.3488 8.8160 119.8086 55.9293 40.8653 177.0845 40 T 3.9622 8.7628 114.4177 64.4504 69.7522 174.8153 41 R 4.4243 7.6149 121.9883 55.8435 32.6681 173.8821 42 T 3.9587 8.5227 122.3350 62.1568 72.2213 171.7656 43 T 4.8839 7.9271 108.5459 59.0368 72.4764 174.0270 44 N 4.2017 8.8095 119.9970 57.1572 38.8786 176.4932 45 N 4.0582 7.9887 117.0969 56.5516 38.5575 177.4738 46 R 3.9168 7.5876 118.1498 59.0882 30.0919 178.9476 47 M 4.1330 7.8767 118.8128 58.1772 31.7308 178.5500 48 E 4.1074 8.3937 118.7554 58.9739 29.5459 179.5116 49 L 3.7507 7.7004 118.8631 58.0487 41.7834 178.9043 50 M 3.7493 7.9053 117.8043 58.5051 32.0368 177.7461 51 A 3.5724 7.9457 120.5578 55.2957 18.4563 179.3582 52 A 4.0748 7.5769 118.2463 55.4514 18.3847 179.7676 53 I 3.6094 7.5227 118.2230 64.5260 37.0153 178.6434 54 V 3.3001 7.2584 118.1501 65.9255 31.1206 177.8230 55 A 3.9125 7.2799 118.9739 55.0727 18.2750 179.6353 56 L 3.8636 7.5036 117.5785 57.5846 41.6460 178.9226 57 E 4.1118 8.1772 115.8136 57.7209 29.2958 178.3602 58 A 4.2661 7.2002 121.3261 53.4003 18.9552 178.3523 59 L 3.4478 7.2567 117.8680 54.9071 41.8165 177.2274 60 K 4.4770 8.6041 122.3666 56.1398 33.1882 175.5129 61 E 4.7169 7.7922 115.3241 54.0814 32.8145 174.5516 62 H 4.6543 8.4826 116.5820 56.1982 29.2446 174.7671 63 C 5.0145 9.0343 119.7334 57.9612 33.3560 172.4891 64 E 4.8619 8.5988 118.9166 55.3617 30.5309 175.7453 65 V 4.7257 8.9156 125.2113 60.9062 35.1258 174.3259 66 I 4.6868 8.1635 125.0771 59.1189 40.5212 173.5012 67 L 4.7535 8.2817 132.1669 53.0011 44.8657 174.7352 68 S 5.1098 8.4976 121.0783 56.7551 64.8944 172.5073 69 T 5.1672 9.0007 121.1594 60.9472 70.8976 173.6953 70 D 5.6004 8.9246 124.8196 52.8325 40.3972 176.3632 71 S 4.2525 8.0178 117.3004 58.6441 62.7915 174.2396 72 Q 3.8839 8.7209 128.7105 58.5889 29.1093 176.8306 73 Y 4.2702 7.5268 117.5959 60.4910 38.7427 178.3027 74 V 3.6861 7.7006 119.4695 65.7451 31.7253 177.8122 75 R 2.0000 7.0083 118.1699 58.7930 29.5289 178.0835 76 Q 3.1735 7.5936 117.9662 58.6454 28.5958 179.2220 77 G 2.8520 6.8242 105.9618 47.7890 0.0000 175.5672 78 I 3.5231 7.2189 121.8119 63.5537 37.1661 178.0450 79 T 4.0978 7.6589 108.8266 62.4911 69.2160 175.6036 80 Q 4.1818 7.2161 118.1652 57.2093 30.9577 177.3655 81 W 3.5111 6.7531 119.1408 58.5664 29.1958 178.1131 82 I 3.1147 6.7218 118.1430 64.4648 37.2643 177.1144 83 H 3.9366 7.8234 118.0604 59.5861 29.5523 176.7909 84 N 4.2986 7.8181 117.9648 55.9414 38.0710 177.5216 85 W 4.1729 7.4750 119.9508 59.4835 29.1695 178.5720 86 K 3.4751 7.4179 118.3794 59.0207 31.2323 179.3885 87 K 3.8670 7.0918 116.0410 59.6240 31.7132 179.1253 88 R 4.2044 8.2147 115.7881 55.8082 29.7917 176.9278 89 G 4.0217 8.1502 106.3802 46.6673 0.0000 173.7167 90 W 3.4682 9.3541 114.2182 57.5870 27.0866 174.5686 91 K 4.8093 7.3397 115.8256 54.6560 35.5195 176.7047 92 T 4.2412 8.8786 112.3398 60.1698 70.1996 175.5560 93 A 3.9101 8.6035 124.8590 55.2533 18.1733 178.1483 94 D 4.7087 7.9708 112.3583 52.7447 39.8291 176.3125 95 K 3.8707 7.9084 116.5399 58.5227 29.9416 175.3786 96 K 4.6666 7.7166 116.6488 53.2908 35.2871 174.4210 97 P 4.9920 0.0000 0.0000 62.6373 31.5607 176.5949 98 V 3.6472 8.0462 115.0804 60.5540 33.1519 175.1501 99 K 3.9720 8.1878 123.8738 57.2268 32.7273 176.1621 100 N 4.5452 9.2836 122.7774 53.7372 36.3126 176.4492 101 V 3.7179 7.4847 121.6087 65.1364 30.6323 177.3321 102 D 4.2359 8.0424 119.0692 56.5545 39.0565 178.5270 103 L 4.0777 7.6714 119.9668 56.7359 41.8432 179.2038 104 W 4.4699 8.5552 119.3567 59.7742 29.0323 178.6719 105 Q 3.4775 8.0632 118.3633 58.4958 27.8643 178.6365 106 R 3.8404 7.5738 119.0330 59.3828 30.1414 178.4062 107 L 4.1241 8.3109 120.5172 57.9579 41.9100 178.3565 108 D 4.5253 8.3516 118.0917 57.3900 41.0232 177.9607 109 A 4.0440 7.9472 119.8424 55.2432 18.4878 179.2389 110 A 4.1270 7.7634 117.7171 55.3252 18.5031 179.8742 111 L 4.1633 8.3683 117.8100 57.8690 41.4998 179.7988 112 G 3.8012 7.8751 104.3564 46.7001 0.0000 174.0958 113 Q 4.3858 7.5818 118.1699 56.3361 29.2940 174.2620 114 H 5.0350 7.7476 113.9085 54.4146 33.8330 173.0278 115 Q 4.4365 8.9871 118.5483 54.8482 29.6297 174.8702 116 I 4.4385 8.1184 125.1461 59.2856 38.9589 175.1241 117 K 4.3491 8.7193 129.5521 54.4945 33.8542 174.8828 118 W 4.4060 8.4849 127.5076 55.2397 30.7087 175.3024 119 E 4.2454 9.5604 125.7577 54.1776 31.7200 174.9062 120 W 5.5307 8.6490 128.1947 55.9530 29.3859 176.3633 121 V 4.3077 8.6438 118.9376 59.9876 33.5028 175.8076 122 K 4.6227 8.5946 122.8051 55.4025 32.9754 178.5265 123 G 3.5106 8.6633 113.4564 48.6087 0.0000 173.5720 124 H 4.7777 8.0808 112.1138 55.4096 29.2820 174.8383 125 A 4.6167 8.5775 124.7143 51.4313 18.9959 176.3401 126 G 3.9533 7.9920 109.9779 45.9892 0.0000 172.9689 127 H 4.8852 9.3341 116.3032 53.5442 30.5369 174.9450 128 P 4.4228 0.0000 0.0000 66.1288 30.9794 178.6279 129 E 3.8584 7.8697 116.6087 58.6943 29.4457 178.7615 130 N 4.4959 8.5878 117.2247 56.3543 38.6858 177.1679 131 E 3.9832 8.1617 119.4491 59.5892 29.6025 179.2519 132 R 3.9108 7.9633 118.5750 59.6217 30.0723 178.2482 133 C 4.2075 8.1713 116.5763 62.8961 28.1113 175.5876 134 D 4.7100 8.0598 120.6267 56.7241 40.8509 177.9504 135 E 3.9281 8.1951 119.8507 59.3254 29.7502 178.8378 136 L 3.9806 8.3193 119.2656 57.5962 41.7879 179.0251 137 A 4.0225 8.3566 121.0580 55.6059 18.1339 179.8713 138 R 3.8905 8.2826 115.1760 59.1958 30.2476 178.8510 139 A 4.1124 7.8996 119.8318 55.1548 18.4089 179.5467 140 A 3.8642 7.9117 118.8087 55.3452 18.2729 179.6937 141 A 4.0885 7.6575 117.4796 55.5906 18.4415 179.4049 142 M 4.2487 7.5299 116.0318 57.1606 33.4422 176.7516 143 N 4.9848 7.7487 116.8848 51.5837 39.6753 171.8252 144 P 4.3520 0.0000 0.0000 62.5911 32.7183 177.1424 145 T 4.4531 8.2208 109.6059 60.8369 70.7270 173.6229 146 L 4.5767 7.4659 122.1937 52.8771 43.9018 174.4968 147 E 4.9058 8.5127 120.7906 54.6467 31.0971 175.5818 148 D 4.6170 8.6104 126.1208 52.7664 39.7067 175.7449 149 T 3.7927 8.0250 121.2644 66.7544 68.9940 176.1531 150 G 4.3821 7.9631 109.4350 46.3647 0.0000 172.0959 151 Y 4.3177 8.4781 122.1547 56.8402 39.3822 174.6991 152 Q 4.2030 7.4064 125.0112 53.6542 32.0740 175.6685 153 V 3.5624 7.5266 122.6002 65.8142 32.8556 177.8531 154 E 4.5652 7.4661 120.9800 54.5104 28.5787 176.8297 155 V 3.8036 8.2807 128.9392 64.8093 31.8685 170.4633 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 4.40 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 L 8.24 4.13 0.00 1.78 1.78 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.87 4.14 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 4 Q 7.70 4.71 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 5 V 8.50 4.11 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 0.75 0.00 0.00 1.02 0.00 0.00 6 E 8.91 5.07 0.00 2.08 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 0.00 2.13 2.23 0.00 7 I 8.08 4.83 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.89 0.00 0.00 8 F 10.18 5.67 0.00 2.91 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 9 T 8.51 5.32 4.36 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 1.31 0.00 0.00 10 N 8.95 4.85 0.00 2.88 2.65 0.00 0.00 7.08 7.46 0.00 0.00 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 G 8.78 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.01 4.95 0.00 3.79 3.73 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 13 C 8.33 5.04 0.00 2.95 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 14 L 9.61 4.25 0.00 1.51 1.70 0.92 -0.14 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 15 G 7.63 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 16 N 8.27 5.06 0.00 2.66 2.68 0.00 0.00 6.83 7.69 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 17 P 0.00 4.63 0.00 1.66 1.26 0.00 3.87 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 1.88 1.96 0.00 18 G 8.27 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 0.00 0.00 0.00 19 P 0.00 5.02 0.00 2.26 1.98 0.00 3.60 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 2.10 2.08 0.00 20 G 8.71 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 0.00 0.00 0.00 0.00 21 G 8.80 4.74 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 0.00 22 Y 8.24 5.61 0.00 3.27 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.71 4.65 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 0.00 0.00 0.00 24 A 9.35 5.57 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 25 I 8.97 5.10 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.02 0.95 0.00 0.00 26 L 8.69 5.27 0.00 1.83 1.72 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 R 10.14 4.78 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.21 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 28 Y 8.03 5.11 0.00 2.87 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 29 R 9.24 3.89 0.00 1.81 1.01 0.00 3.06 0.00 0.00 2.75 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 30 G 9.00 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 0.00 0.00 0.00 0.00 31 R 7.65 4.48 0.00 1.99 1.85 0.00 3.03 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 32 E 8.21 4.67 0.00 1.91 1.79 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 0.00 2.18 2.31 0.00 33 K 8.73 4.17 0.00 1.76 1.14 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.37 7.81 34 T 7.91 4.67 4.13 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 1.19 0.00 0.00 35 F 9.00 5.14 0.00 3.16 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 36 S 8.74 4.86 0.00 3.76 3.59 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 0.00 0.00 0.00 0.00 37 A 6.95 4.29 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.19 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 0.00 0.00 0.00 0.00 39 Y 8.82 5.35 0.00 2.94 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 40 T 8.76 3.96 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 1.27 0.00 0.00 41 R 7.61 4.42 0.00 1.76 1.75 0.00 3.27 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 42 T 8.52 3.96 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 1.24 0.00 0.00 43 T 7.93 4.88 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 1.25 0.00 0.00 44 N 8.81 4.20 0.00 2.84 2.83 0.00 0.00 6.88 6.71 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 45 N 7.99 4.06 0.00 2.35 1.42 0.00 0.00 7.08 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 46 R 7.59 3.92 0.00 1.91 1.86 0.00 3.39 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 47 M 7.88 4.13 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.85 0.00 48 E 8.39 4.11 0.00 2.11 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 2.40 2.72 0.00 49 L 7.70 3.75 0.00 1.75 1.46 0.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.91 3.75 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.49 0.00 51 A 7.95 3.57 1.52 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 0.00 0.00 0.00 52 A 7.58 4.07 1.51 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 0.00 0.00 53 I 7.52 3.61 1.81 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 1.36 0.69 0.80 0.00 0.00 54 V 7.26 3.30 1.59 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 0.31 0.00 0.00 0.56 0.00 0.00 55 A 7.28 3.91 1.34 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 56 L 7.50 3.86 0.00 1.59 1.66 0.92 0.71 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 57 E 8.18 4.11 0.00 1.80 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 2.31 2.47 0.00 58 A 7.20 4.27 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 59 L 7.26 3.45 0.00 1.52 1.33 0.45 -0.19 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 60 K 8.60 4.48 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 61 E 7.79 4.72 0.00 2.02 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 2.26 2.31 0.00 62 H 8.48 4.65 0.00 3.10 3.27 0.00 5.64 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 63 C 9.03 5.01 0.00 2.80 2.85 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 64 E 8.60 4.86 0.00 1.94 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 0.00 2.29 2.32 0.00 65 V 8.92 4.73 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 0.58 0.00 0.00 0.72 0.00 0.00 66 I 8.16 4.69 1.70 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 0.83 1.23 0.79 0.00 0.00 67 L 8.28 4.75 0.00 1.12 0.46 0.64 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.50 5.11 0.00 3.47 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 69 T 9.00 5.17 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 70 D 8.92 5.60 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.02 4.25 0.00 3.97 3.96 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 0.00 0.00 0.00 72 Q 8.72 3.88 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 73 Y 7.53 4.27 0.00 3.26 3.26 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 74 V 7.70 3.69 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 1.12 0.00 0.00 1.02 0.00 0.00 75 R 7.01 2.00 0.00 0.67 1.17 0.00 2.48 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 76 Q 7.59 3.17 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 1.89 2.12 0.00 77 G 6.82 2.85 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 0.00 0.00 0.00 78 I 7.22 3.52 1.66 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.05 0.52 0.00 0.00 79 T 7.66 4.10 4.02 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 1.09 0.00 0.00 80 Q 7.22 4.18 0.00 1.22 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 81 W 6.75 3.51 0.00 1.78 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 0.00 0.00 0.00 82 I 6.72 3.11 1.61 0.00 0.00 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 1.53 1.50 0.81 0.00 0.00 83 H 7.82 3.94 0.00 3.14 3.15 0.00 5.92 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 84 N 7.82 4.30 0.00 2.63 2.74 0.00 0.00 7.10 7.02 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 85 W 7.48 4.17 0.00 2.73 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 0.00 0.00 0.00 0.00 86 K 7.42 3.48 0.00 1.76 1.74 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.14 7.81 87 K 7.09 3.87 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.46 7.81 88 R 8.21 4.20 0.00 1.97 2.03 0.00 3.29 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 G 8.15 4.02 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 0.00 0.00 0.00 90 W 9.35 3.47 0.00 3.60 3.26 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 91 K 7.34 4.81 0.00 2.04 1.61 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.34 7.81 92 T 8.88 4.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 93 A 8.60 3.91 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 94 D 7.97 4.71 0.00 2.77 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 95 K 7.91 3.87 0.00 1.90 1.91 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.52 7.81 96 K 7.72 4.67 0.00 1.73 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.29 7.81 97 P 0.00 4.99 0.00 2.01 2.02 0.00 3.32 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.81 0.00 98 V 8.05 3.65 1.02 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 -0.39 0.00 0.00 0.27 0.00 0.00 99 K 8.19 3.97 0.00 1.74 1.82 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.47 7.81 100 N 9.28 4.55 0.00 3.29 2.95 0.00 0.00 7.34 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 0.00 101 V 7.48 3.72 2.18 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 0.79 0.00 0.00 0.80 0.00 0.00 102 D 8.04 4.24 0.00 2.83 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 0.00 103 L 7.67 4.08 0.00 1.64 1.55 0.78 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.56 4.47 0.00 3.55 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 0.00 105 Q 8.06 3.48 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 106 R 7.57 3.84 0.00 2.01 1.97 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 107 L 8.31 4.12 0.00 1.80 1.87 1.08 1.52 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 0.00 108 D 8.35 4.53 0.00 3.29 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 0.00 109 A 7.95 4.04 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 0.00 110 A 7.76 4.13 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 0.00 111 L 8.37 4.16 0.00 2.03 1.91 1.30 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.88 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 0.00 113 Q 7.58 4.39 0.00 1.69 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 114 H 7.75 5.03 0.00 2.90 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.99 4.44 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 116 I 8.12 4.44 1.70 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 1.11 0.51 -0.09 0.00 0.00 117 K 8.72 4.35 0.00 1.65 1.65 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.29 7.81 118 W 8.48 4.41 0.00 2.76 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 0.00 0.00 0.00 119 E 9.56 4.25 0.00 1.83 1.63 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 2.17 2.20 0.00 120 W 8.65 5.53 0.00 3.25 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 0.00 121 V 8.64 4.31 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 0.81 0.00 0.00 1.05 0.00 0.00 122 K 8.59 4.62 0.00 1.66 1.65 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.38 7.81 123 G 8.66 3.51 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 0.00 0.00 0.00 124 H 8.08 4.78 0.00 3.28 3.43 0.00 5.49 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.58 4.62 1.10 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 0.00 126 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 0.00 127 H 9.33 4.89 0.00 3.37 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.42 0.00 2.07 2.10 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 129 E 7.87 3.86 0.00 1.16 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 1.47 1.94 0.00 130 N 8.59 4.50 0.00 2.96 2.98 0.00 0.00 6.90 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 0.00 131 E 8.16 3.98 0.00 2.01 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 2.43 2.40 0.00 132 R 7.96 3.91 0.00 1.86 1.89 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.17 4.21 0.00 3.33 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 0.00 134 D 8.06 4.71 0.00 2.89 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 0.00 135 E 8.20 3.93 0.00 2.39 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 2.31 2.36 0.00 136 L 8.32 3.98 0.00 1.92 1.70 0.95 0.87 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 0.00 137 A 8.36 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.28 3.89 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 139 A 7.90 4.11 1.39 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 0.00 0.00 0.00 140 A 7.91 3.86 1.33 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 0.00 141 A 7.66 4.09 1.36 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 0.00 0.00 142 M 7.53 4.25 0.00 1.97 2.33 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 2.63 2.83 0.00 143 N 7.75 4.98 0.00 2.61 2.63 0.00 0.00 7.21 7.18 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 0.00 144 P 0.00 4.35 0.00 2.22 2.11 0.00 3.73 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 1.96 1.94 0.00 145 T 8.22 4.45 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 1.15 0.00 0.00 146 L 7.47 4.58 0.00 0.86 1.36 0.60 0.67 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 0.00 147 E 8.51 4.91 0.00 1.96 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 2.27 2.31 0.00 148 D 8.61 4.62 0.00 2.50 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 0.00 149 T 8.03 3.79 4.28 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 1.22 0.00 0.00 150 G 7.96 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 0.00 0.00 0.00 0.00 151 Y 8.48 4.32 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.41 4.20 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 153 V 7.53 3.56 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 0.75 0.00 0.00 0.99 0.00 0.00 154 E 7.47 4.57 0.00 1.87 1.12 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 2.25 2.30 0.00 155 V 8.28 3.80 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 0.63 0.00 0.00 0.86 0.00 0.00