NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1325 8.0549 120.3196 61.1576 32.8873 174.8049 4 R 4.1246 8.5339 122.0825 56.1144 30.9272 174.1789 5 S 5.5051 9.0961 119.3104 56.6892 67.4775 172.8533 6 L 4.9705 9.0485 123.9057 53.5460 45.1019 175.5796 7 N 5.5187 9.2740 123.2337 52.7024 40.0046 174.1742 8 C 5.6658 8.2949 112.6298 58.6903 32.3186 172.7169 9 T 5.0608 8.1126 110.8177 60.1426 71.8104 172.5788 10 L 5.3344 8.6063 121.6336 53.1188 44.4920 175.9628 11 R 5.0247 9.1452 122.5851 54.5369 34.0143 174.4846 12 D 4.5178 8.7098 125.2612 52.2046 41.1834 177.1171 13 S 4.1852 7.9819 112.6287 59.9429 62.9200 174.8168 14 Q 4.3655 8.5363 120.2443 55.5759 29.0137 176.2401 15 Q 3.9575 8.4985 118.2166 56.1571 28.3425 173.1416 16 K 4.2089 7.5710 116.2355 56.4792 33.1070 176.6850 17 S 5.0489 9.0732 120.9018 57.2778 65.8541 172.8569 18 L 5.2601 8.3082 120.9417 53.5645 44.0109 176.1177 19 V 4.7719 8.5794 114.8703 59.7924 36.7897 174.5775 20 M 4.4495 8.4673 122.8743 55.2337 31.3780 175.8119 21 S 4.1973 8.0610 122.0617 58.3768 62.9307 177.2090 22 G 4.1924 8.2057 111.5582 43.3540 0.0000 171.8293 23 P 4.0997 0.0000 0.0000 65.4772 31.1222 176.9652 24 Y 4.8031 7.6497 112.2310 58.0673 41.1619 174.0072 25 E 4.9150 8.1516 119.7702 54.5713 33.1909 174.8495 26 L 5.1457 8.4744 122.0848 53.3984 44.4451 175.5571 27 K 5.1683 9.4455 121.0139 54.5932 36.0633 174.7910 28 A 5.4204 8.6502 124.7060 50.2208 21.6466 175.5294 29 L 4.7977 8.5577 121.0472 54.5478 44.5349 174.8261 30 H 4.7042 8.7896 118.9755 55.7885 28.8120 174.9276 31 L 4.7817 8.3987 123.3478 53.1037 44.2146 175.5783 32 Q 4.4324 8.4248 121.3441 56.0967 32.0495 174.8261 33 G 3.8417 8.5445 107.2725 44.6777 0.0000 173.9345 34 Q 4.1585 8.4772 115.7615 57.8965 29.1270 177.4167 35 D 4.3826 7.9555 118.2460 57.0019 41.0584 176.9310 36 M 3.9944 7.5310 117.7323 58.6497 32.2684 177.3656 37 E 4.1281 8.1546 118.0855 59.4901 29.3007 178.7667 38 Q 4.1168 7.8374 114.6111 56.1076 28.8453 175.7380 39 Q 4.5780 7.3529 119.3723 54.7862 30.2813 175.4382 40 V 3.5748 8.0626 121.6390 62.7966 32.2895 175.2246 41 V 4.1909 8.0091 127.6825 61.6521 33.1524 174.6670 42 F 4.9687 8.7239 126.8265 56.7552 41.1052 174.9726 43 S 4.9460 8.8593 117.7238 57.3214 64.6801 172.6122 44 M 4.7820 8.8584 126.2061 54.1394 33.7066 174.6103 45 S 5.0472 8.6248 122.8944 56.9996 65.4557 173.9419 46 F 4.8995 9.1729 124.6485 57.0875 37.8830 175.5996 47 V 4.5487 7.9147 116.2605 59.1087 34.1580 175.5292 48 Q 4.0944 8.9326 121.4307 56.4988 28.9312 176.5140 49 G 3.8374 7.8831 110.2199 45.8187 0.0000 171.7954 50 E 4.1969 8.9542 121.3253 55.7890 28.9927 175.7856 51 E 4.8547 8.6179 122.2709 54.3272 31.5809 175.1553 52 S 4.8266 8.5823 116.3738 55.9702 65.7891 174.2338 53 N 4.4105 8.7005 118.4787 56.3816 38.6682 176.5261 54 D 4.6010 8.0150 117.8400 55.8333 42.4963 176.4836 55 K 4.9386 7.9603 119.8222 54.6032 35.3546 175.0605 56 I 4.9878 8.9409 128.9337 58.7299 40.7874 173.1071 57 P 5.0896 0.0000 0.0000 62.7849 32.7970 175.6887 58 V 4.9194 9.5124 116.1209 59.6805 36.3832 174.1627 59 A 5.3323 8.9145 124.2626 50.5311 22.0466 176.2720 60 L 4.6902 8.8703 120.7200 53.2426 43.5505 176.1353 61 G 3.7010 9.0243 112.0543 44.2674 0.0000 170.8981 62 L 4.4463 7.7938 119.7769 53.1932 43.0977 177.1342 63 K 3.6746 8.4695 122.4346 58.8732 31.5963 177.2992 64 E 4.7761 7.5007 118.4142 55.9800 30.5584 176.0580 65 K 4.5784 7.4605 115.9200 54.5844 36.3039 177.5031 66 N 4.7490 8.3214 121.1296 51.8357 35.9820 174.0352 67 L 5.2995 7.2042 119.8932 53.9474 46.3058 176.4189 68 Y 5.0689 8.8638 121.4017 55.7566 41.3688 175.1768 69 L 4.9357 8.9765 123.9583 54.9951 42.8276 176.3715 70 S 4.9903 9.4662 118.1231 56.7574 66.9308 172.4839 71 C 5.3383 8.5464 119.5096 58.2870 29.3977 173.8077 72 V 4.6158 8.8016 122.7473 59.9891 35.0270 174.0109 73 L 4.4756 8.5620 122.8831 54.7083 42.2092 177.8196 74 K 4.4005 8.7909 123.8246 55.0076 33.0380 175.7612 75 D 4.5867 8.1570 127.3033 55.2695 37.3287 174.9367 76 D 4.5641 8.1428 112.5025 55.1161 38.8319 174.0835 77 K 4.2957 7.2032 117.4492 53.4813 35.5384 174.2645 78 P 3.8804 0.0000 0.0000 63.1254 31.5920 175.8953 79 T 4.7478 8.9580 120.0955 61.6843 73.0733 172.5572 80 L 5.0915 8.7522 127.6217 54.2337 43.1239 175.4759 81 Q 4.8540 9.1689 123.6486 54.3175 32.7423 173.9755 82 L 4.9870 8.6521 119.9846 53.9853 43.0048 175.7059 83 E 4.8253 9.5060 125.5184 54.1168 32.1818 175.2647 84 S 4.8873 9.0313 123.2846 59.0613 63.4450 173.9436 85 V 4.4543 8.2901 116.9459 58.8049 35.5016 175.0995 86 D 4.3747 8.7592 121.9359 54.3389 41.0382 175.1539 87 P 4.6885 0.0000 0.0000 63.8608 31.7582 177.0058 88 K 4.2700 9.0884 118.7874 57.8205 32.5137 177.0933 89 N 4.7227 8.1638 113.8731 53.1020 39.1245 174.3977 90 Y 4.5579 7.5205 115.4637 55.3538 41.7874 173.2345 91 P 4.7425 0.0000 0.0000 62.0384 32.8575 175.1736 92 K 4.6117 7.8853 117.4379 54.1489 35.6824 176.7640 93 K 4.0586 8.5957 121.7923 59.2988 32.4673 176.8434 94 K 4.3973 7.5072 120.8904 55.0333 30.5188 175.4500 95 M 4.3693 7.7069 121.4716 54.1705 33.3641 176.4290 96 E 4.1579 8.7961 120.4335 56.1102 30.5746 178.1725 97 K 3.7780 8.7363 123.4918 59.5006 32.4861 179.0937 98 R 3.6031 7.6589 114.6938 58.6327 29.3565 177.5844 99 F 4.9569 7.6985 114.6918 56.6481 39.2624 174.9820 100 V 4.5398 7.3943 122.5379 61.1549 33.4730 174.4293 101 F 5.3546 8.9633 126.0717 55.7706 42.3335 174.4865 102 N 5.1085 9.4671 121.2556 52.1683 39.6387 174.4470 103 K 4.2493 9.2563 127.7623 56.1016 33.6299 175.6590 104 I 5.3169 8.1716 128.5669 58.6748 39.9840 174.6693 105 E 4.7025 8.7969 127.6727 55.5131 30.0036 177.4198 106 I 4.4353 8.2844 126.3795 59.5246 38.3626 173.5803 107 N 4.0332 8.2091 122.1634 54.0018 34.4337 175.1441 108 N 4.2785 8.0073 111.2333 53.6103 37.6320 174.5833 109 K 4.8536 7.4510 117.6339 54.7080 35.3895 175.0731 110 L 5.1119 8.7611 122.2243 53.1676 44.5531 175.4169 111 E 5.1553 8.6879 121.6043 54.6663 33.1320 175.3322 112 F 5.1544 8.8882 121.7650 55.8432 41.0597 173.7709 113 E 4.5227 9.0835 126.0071 55.0995 30.7919 175.3446 114 S 4.4549 9.2257 122.3963 57.9763 62.8622 174.6981 115 A 4.0775 8.3468 129.7777 54.9401 18.1431 178.4732 116 Q 3.6118 7.2691 116.3233 57.5028 29.5033 175.3593 117 F 4.8472 8.2908 118.1944 54.5774 39.6044 172.6455 118 P 4.6196 0.0000 0.0000 63.8318 31.8935 176.6255 119 N 4.2685 9.8642 118.9914 53.6916 36.7154 173.1252 120 W 4.9243 8.1280 119.0437 55.6615 31.0359 175.0565 121 Y 5.3054 9.2057 121.9531 55.7306 41.4978 175.0300 122 I 4.2005 8.5840 123.9660 62.4443 37.7412 175.7104 123 S 5.1156 9.1303 123.3569 56.7232 66.9031 173.3272 124 T 5.0045 8.6972 112.3027 59.6384 72.0947 173.8025 125 S 4.6935 8.8676 118.1587 58.3479 63.6511 174.6489 126 Q 4.0325 8.7619 124.3411 59.0050 29.1150 177.0721 127 A 4.2727 7.7960 119.0554 51.1944 19.3144 176.5067 128 E 3.8271 8.6729 119.3505 58.3254 30.0293 177.7283 129 N 4.3342 8.8034 118.0967 54.4807 36.9579 174.1457 130 M 4.6346 7.4457 118.1105 53.4890 34.3273 174.0743 131 P 5.0791 0.0000 0.0000 62.2156 32.5844 176.6001 132 V 4.1898 8.3532 123.7567 63.2662 32.0692 175.1741 133 F 5.2553 8.6301 121.7869 54.7492 42.0864 173.4415 134 L 4.9290 8.9641 121.9671 54.8200 42.5104 175.9792 135 G 4.3983 9.6906 114.1845 44.5542 0.0000 173.2162 136 G 2.6978 8.1248 109.7124 44.2372 0.0000 173.3569 137 T 4.2163 7.2305 113.8424 59.6487 68.0651 172.7850 138 K 3.9997 8.4723 128.6922 55.1865 32.3197 176.7359 139 G 3.8808 9.7443 123.5368 46.4284 0.0000 172.3277 140 G 3.8633 7.9383 119.4855 45.9044 0.0000 169.9854 141 Q 4.5457 6.8039 117.3960 55.6909 35.4414 175.0309 142 D 4.9153 7.7381 120.1759 51.8648 43.6066 176.0524 143 I 4.1470 8.5919 123.0237 60.6645 37.9195 176.7719 144 T 4.7884 8.3319 113.3846 60.9801 69.8912 173.0253 145 D 5.4934 7.4531 121.5446 51.9499 43.0029 174.7144 146 F 4.9593 9.1114 117.5676 56.2140 43.8534 173.9948 147 T 4.8935 9.1592 111.8044 60.5791 71.5876 172.9027 148 M 5.1519 8.4981 121.5951 53.8831 34.8992 174.4593 149 Q 4.7175 8.6792 124.3074 54.1061 31.8886 175.2143 150 F 5.0247 8.9237 121.6747 57.2046 40.3939 175.3466 151 V 4.4915 8.2916 113.3576 59.3086 34.8053 177.0427 152 S 4.5069 8.4183 121.7663 56.6984 61.3982 174.5549 153 S 4.3170 8.0319 117.9556 58.8633 62.3593 175.3702 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 3 V 8.05 4.13 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 0.96 0.00 0.00 1.06 0.00 0.00 4 R 8.53 4.12 0.00 1.99 1.98 0.00 3.07 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 5 S 9.10 5.51 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.05 4.97 0.00 2.10 1.70 1.09 1.16 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 7 N 9.27 5.52 0.00 2.72 2.76 0.00 0.00 7.15 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 8 C 8.29 5.67 0.00 2.87 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 9 T 8.11 5.06 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 1.21 0.00 0.00 10 L 8.61 5.33 0.00 1.54 1.65 0.86 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.15 5.02 0.00 1.87 1.74 0.00 3.11 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 12 D 8.71 4.52 0.00 2.14 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 13 S 7.98 4.19 0.00 3.88 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 14 Q 8.54 4.37 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 5.80 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 15 Q 8.50 3.96 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 16 K 7.57 4.21 0.00 2.01 1.72 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.84 1.22 7.81 17 S 9.07 5.05 0.00 3.77 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 18 L 8.31 5.26 0.00 1.75 1.64 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.58 4.77 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 0.79 0.00 0.00 0.93 0.00 0.00 20 M 8.47 4.45 0.00 1.93 1.94 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 2.47 2.42 0.00 21 S 8.06 4.20 0.00 3.87 3.87 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 22 G 8.21 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 0.00 0.00 0.00 23 P 0.00 4.10 0.00 1.76 2.03 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 24 Y 7.65 4.80 0.00 2.98 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 25 E 8.15 4.92 0.00 1.93 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 2.37 2.37 0.00 26 L 8.47 5.15 0.00 1.66 1.63 1.05 0.67 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 27 K 9.45 5.17 0.00 1.65 1.69 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.65 5.42 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 29 L 8.56 4.80 0.00 1.89 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.79 4.70 0.00 3.01 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.40 4.78 0.00 1.61 1.55 0.98 0.91 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 32 Q 8.42 4.43 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 33 G 8.54 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 34 Q 8.48 4.16 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.69 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 35 D 7.96 4.38 0.00 2.89 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 36 M 7.53 3.99 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 37 E 8.15 4.13 0.00 2.23 2.29 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 2.38 2.32 0.00 38 Q 7.84 4.12 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 39 Q 7.35 4.58 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 40 V 8.06 3.57 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 -0.09 0.00 0.00 0.74 0.00 0.00 41 V 8.01 4.19 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 1.05 0.00 0.00 0.87 0.00 0.00 42 F 8.72 4.97 0.00 3.02 2.83 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 43 S 8.86 4.95 0.00 3.90 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 44 M 8.86 4.78 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.87 0.00 45 S 8.62 5.05 0.00 3.84 3.78 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 46 F 9.17 4.90 0.00 2.96 3.12 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 0.00 47 V 7.91 4.55 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 0.74 0.00 0.00 0.93 0.00 0.00 48 Q 8.93 4.09 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 49 G 7.88 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 50 E 8.95 4.20 0.00 1.98 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 2.32 2.30 0.00 51 E 8.62 4.85 0.00 2.21 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 2.20 2.28 0.00 52 S 8.58 4.83 0.00 3.84 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 53 N 8.70 4.41 0.00 2.76 2.88 0.00 0.00 6.88 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 54 D 8.01 4.60 0.00 2.64 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 55 K 7.96 4.94 0.00 1.79 1.64 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 I 8.94 4.99 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 1.16 0.00 0.00 57 P 0.00 5.09 0.00 2.16 2.22 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 58 V 9.51 4.92 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 0.63 0.00 0.00 1.11 0.00 0.00 59 A 8.91 5.33 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 60 L 8.87 4.69 0.00 1.35 1.26 -0.30 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.02 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 62 L 7.79 4.45 0.00 1.42 1.33 0.73 0.69 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 63 K 8.47 3.67 0.00 1.79 1.71 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.54 7.81 64 E 7.50 4.78 0.00 1.87 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 0.00 2.18 2.33 0.00 65 K 7.46 4.58 0.00 1.58 1.55 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.20 7.81 66 N 8.32 4.75 0.00 2.93 3.01 0.00 0.00 5.93 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.20 5.30 0.00 1.41 1.49 0.71 0.89 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 68 Y 8.86 5.07 0.00 2.69 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 69 L 8.98 4.94 0.00 1.87 1.83 0.57 0.56 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 70 S 9.47 4.99 0.00 3.49 3.49 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 71 C 8.55 5.34 0.00 2.69 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.80 4.62 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 0.87 0.00 0.00 0.86 0.00 0.00 73 L 8.56 4.48 0.00 1.59 1.62 0.95 0.60 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 74 K 8.79 4.40 0.00 1.64 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 D 8.16 4.59 0.00 2.87 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 76 D 8.14 4.56 0.00 2.77 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 77 K 7.20 4.30 0.00 1.86 1.53 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.36 7.81 78 P 0.00 3.88 0.00 0.49 0.49 0.00 2.29 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 8.96 4.75 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 1.25 0.00 0.00 80 L 8.75 5.09 0.00 1.81 1.72 1.19 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.17 4.85 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 82 L 8.65 4.99 0.00 1.95 1.85 0.98 0.96 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 83 E 9.51 4.83 0.00 2.23 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 0.00 2.29 2.31 0.00 84 S 9.03 4.89 0.00 3.89 3.87 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 85 V 8.29 4.45 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 0.14 0.00 0.00 0.61 0.00 0.00 86 D 8.76 4.37 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.69 0.00 2.26 2.19 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 88 K 9.09 4.27 0.00 1.88 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 N 8.16 4.72 0.00 2.77 2.58 0.00 0.00 6.75 7.05 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 90 Y 7.52 4.56 0.00 2.93 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 91 P 0.00 4.74 0.00 2.25 2.25 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 92 K 7.89 4.61 0.00 1.56 1.58 0.00 1.53 0.00 0.00 1.31 0.00 0.00 2.29 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.04 0.70 7.81 93 K 8.60 4.06 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.46 7.81 94 K 7.51 4.40 0.00 1.73 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.43 7.81 95 M 7.71 4.37 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 96 E 8.80 4.16 0.00 2.33 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 0.00 2.47 2.41 0.00 97 K 8.74 3.78 0.00 1.67 1.89 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.35 7.81 98 R 7.66 3.60 0.00 1.86 1.83 0.00 2.67 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.00 99 F 7.70 4.96 0.00 3.02 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 0.00 100 V 7.39 4.54 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 0.94 0.00 0.00 0.97 0.00 0.00 101 F 8.96 5.35 0.00 3.14 3.11 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 0.00 102 N 9.47 5.11 0.00 2.68 2.81 0.00 0.00 6.50 7.49 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 0.00 103 K 9.26 4.25 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 0.85 7.81 104 I 8.17 5.32 1.87 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 1.28 2.05 0.93 0.00 0.00 105 E 8.80 4.70 0.00 1.85 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 2.29 2.33 0.00 106 I 8.28 4.44 1.84 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 1.29 0.59 0.88 0.00 0.00 107 N 8.21 4.03 0.00 3.01 2.93 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.01 4.28 0.00 2.86 2.95 0.00 0.00 7.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.45 4.85 0.00 1.65 1.67 0.00 1.59 0.00 0.00 1.98 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 110 L 8.76 5.11 0.00 1.53 1.02 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.69 5.16 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 112 F 8.89 5.15 0.00 2.83 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 0.00 113 E 9.08 4.52 0.00 2.00 1.78 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 2.12 1.47 0.00 114 S 9.23 4.45 0.00 3.90 3.97 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 0.00 115 A 8.35 4.08 1.16 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 0.00 0.00 0.00 116 Q 7.27 3.61 0.00 1.89 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 117 F 8.29 4.85 0.00 2.98 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 0.00 118 P 0.00 4.62 0.00 2.13 2.03 0.00 3.91 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 2.07 2.11 0.00 119 N 9.86 4.27 0.00 3.01 3.03 0.00 0.00 6.67 7.80 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 0.00 120 W 8.13 4.92 0.00 3.51 3.28 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 0.00 121 Y 9.21 5.31 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.58 4.20 1.78 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.40 0.62 0.00 0.00 123 S 9.13 5.12 0.00 2.72 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.70 5.00 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 1.33 0.00 0.00 125 S 8.87 4.69 0.00 4.01 3.92 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 0.00 126 Q 8.76 4.03 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 127 A 7.80 4.27 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 0.00 128 E 8.67 3.83 0.00 2.03 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 2.46 2.36 0.00 129 N 8.80 4.33 0.00 2.91 2.95 0.00 0.00 6.95 7.20 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 0.00 130 M 7.45 4.63 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.92 0.00 131 P 0.00 5.08 0.00 2.07 2.06 0.00 3.72 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 2.06 2.12 0.00 132 V 8.35 4.19 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 0.81 0.00 0.00 1.02 0.00 0.00 133 F 8.63 5.26 0.00 3.32 3.12 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 0.00 134 L 8.96 4.93 0.00 1.98 1.97 1.25 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.69 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 0.00 136 G 8.12 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 0.00 0.00 0.00 137 T 7.23 4.22 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 1.08 0.00 0.00 138 K 8.47 4.00 0.00 1.66 1.57 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.92 0.99 7.81 139 G 9.74 3.88 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 0.00 140 G 7.94 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 0.00 141 Q 6.80 4.55 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.42 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 142 D 7.74 4.92 0.00 2.79 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 0.00 143 I 8.59 4.15 1.72 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 1.26 0.51 0.60 0.00 0.00 144 T 8.33 4.79 4.06 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 1.12 0.00 0.00 145 D 7.45 5.49 0.00 2.73 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 0.00 146 F 9.11 4.96 0.00 3.07 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 0.00 147 T 9.16 4.89 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 1.23 0.00 0.00 148 M 8.50 5.15 0.00 1.90 1.93 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 2.26 1.96 0.00 149 Q 8.68 4.72 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 150 F 8.92 5.02 0.00 2.94 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 0.00 151 V 8.29 4.49 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 0.76 0.00 0.00 1.00 0.00 0.00 152 S 8.42 4.51 0.00 3.88 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 0.00 153 S 8.03 4.32 0.00 4.00 4.06 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