NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4743 8.1927 115.3022 57.8846 63.2853 174.2331 3 R 3.9453 8.9617 127.9065 58.3639 30.4291 176.7874 4 A 4.0958 8.4148 120.0964 55.1195 19.5012 177.8349 5 K 4.3972 7.3004 115.2866 56.5428 31.7194 176.8955 6 R 4.5421 7.4886 117.8548 56.7884 34.0886 176.3573 7 I 3.9287 8.1804 116.9580 64.8728 37.2188 178.4942 8 M 4.1401 8.2533 118.6764 57.9889 31.6978 178.9633 9 K 3.9767 7.8042 117.8149 59.5151 32.3033 178.9512 10 E 4.0109 8.2544 118.3125 59.5218 29.4194 179.2793 11 I 3.6771 8.0838 119.8975 64.4973 37.2798 178.2313 12 Q 3.9514 7.9463 119.5803 59.3196 28.7532 178.1004 13 A 4.0356 7.8665 120.3055 55.1484 18.1367 179.5556 14 V 3.6839 7.9261 116.8919 65.8383 31.4124 177.9185 15 K 3.8988 7.8803 118.3367 60.0161 32.0900 178.2472 16 D 4.7127 8.1262 117.1653 55.4697 41.4355 175.8845 17 D 4.8119 7.3713 117.3262 51.1097 41.4094 173.2448 18 P 4.3795 0.0000 0.0000 64.7905 31.8870 178.8481 19 A 4.0089 8.1368 120.0893 55.0224 18.3309 178.3001 20 A 3.9806 7.9673 117.1419 53.6308 18.1846 177.9818 21 H 4.3194 8.4051 111.7686 56.0140 27.0575 173.8090 22 I 4.9724 7.6996 120.0274 59.7915 39.2622 174.8771 23 T 4.4270 8.6541 116.6438 60.1939 70.8099 174.1463 24 L 4.7922 8.4717 127.5502 52.9681 40.6609 173.4614 25 E 4.5279 8.5205 119.5612 54.2629 31.6093 176.3876 26 F 4.5624 8.8434 123.7441 57.5758 39.2356 175.8153 27 V 3.6051 8.7108 123.0744 67.1756 31.7876 177.1475 28 S 4.0537 8.0596 111.3600 59.6007 61.2660 173.9267 29 E 4.5182 8.1582 116.7904 56.1874 33.6686 176.3178 30 S 3.6944 7.1101 115.5355 56.7842 63.9105 174.7134 31 D 4.7170 6.2218 134.0856 52.9762 39.1419 178.2459 32 I 4.9435 8.3061 112.5404 60.4052 38.5504 174.8119 33 H 4.9743 9.1987 116.5832 57.5689 36.3062 173.5797 34 H 4.6719 8.3666 126.3718 54.1308 30.7631 172.9716 35 L 4.7550 8.0228 125.4502 52.5782 45.7427 176.6980 36 K 4.1554 8.8760 123.3326 55.7679 32.2061 176.2917 37 G 3.8572 8.8318 114.4703 45.4425 0.0000 170.7426 38 T 5.4329 9.1207 118.1954 58.5293 71.1356 173.6636 39 F 5.5270 8.4053 121.0748 54.3904 41.0365 174.5835 40 L 4.9272 8.6752 119.7287 53.6570 42.7918 177.1277 41 G 4.3126 8.6919 110.4404 45.5605 0.0000 171.2397 42 P 4.6003 0.0000 0.0000 62.3142 32.2364 174.5438 43 P 4.5129 0.0000 0.0000 63.1944 32.6163 175.5781 44 G 3.8540 8.5350 105.5441 46.3152 0.0000 173.9399 45 T 4.2454 7.3732 111.2052 62.1018 72.2909 173.2724 46 P 4.1261 0.0000 0.0000 65.0910 31.7836 176.5984 47 Y 5.0854 7.4152 114.2370 56.6457 38.2875 174.8752 48 E 4.4605 7.5441 120.6063 56.9423 30.2027 176.4018 49 G 3.9536 8.6375 114.4757 44.3727 0.0000 172.4756 50 G 4.2298 7.3556 109.0259 46.0594 0.0000 169.8877 51 K 4.3505 7.8562 123.9570 55.4914 33.1567 176.0962 52 F 4.5009 8.9372 129.0080 56.2394 39.1204 174.6304 53 V 4.1417 8.1564 124.3677 61.7989 33.0791 174.4724 54 V 4.0378 7.8191 127.8509 60.6662 34.0181 174.0389 55 D 4.8461 8.6249 128.8415 54.3102 42.7938 175.0961 56 I 4.8195 8.0899 125.0263 58.4653 41.0144 174.2461 57 E 4.2486 8.6274 129.7451 55.0261 30.4004 175.7826 58 V 3.7479 8.0259 121.8159 59.5534 31.0225 174.7440 59 P 4.6296 0.0000 0.0000 61.7542 32.2013 177.9273 60 M 3.8555 8.5992 119.6280 59.1226 32.0782 178.0625 61 E 4.4388 8.2423 115.8055 56.6040 29.6267 175.4144 62 Y 4.6838 8.2034 122.5306 57.3126 38.9489 175.2493 63 P 3.8935 0.0000 0.0000 64.6323 31.9604 178.2795 64 F 4.4898 8.2481 117.6575 59.4619 39.1645 175.8442 65 K 4.4447 8.0698 119.7683 54.3391 33.1221 174.5924 66 P 2.9700 0.0000 0.0000 61.0902 32.3011 174.2698 67 P 4.1091 0.0000 0.0000 62.8815 32.1014 176.9797 68 K 4.1457 8.8342 125.8181 56.3323 31.1805 173.7152 69 M 4.6083 8.1923 122.8390 53.8660 32.7389 175.5414 70 Q 4.7073 8.7249 123.4365 53.8997 31.1592 175.0045 71 F 4.5754 9.1566 124.7865 57.8505 38.8798 175.4424 72 D 4.4656 8.6726 125.0391 57.7381 40.9681 177.3460 73 T 3.7973 8.0233 117.2660 63.6526 68.3844 174.1524 74 K 3.9720 7.6578 126.9526 55.6240 32.6628 176.8561 75 V 4.6173 8.1656 122.8835 61.2857 33.6833 175.1381 76 Y 4.0273 8.7383 129.0458 56.4492 37.1680 172.7691 77 H 5.0479 7.7770 123.0182 53.1869 33.6640 172.1680 78 P 4.1131 0.0000 0.0000 65.6636 31.3859 177.7534 79 N 4.8165 7.6804 112.6696 53.0974 39.2328 174.5753 80 I 4.7680 7.2881 118.9047 58.9744 40.4780 175.0389 81 S 4.5837 8.9558 120.2694 57.4415 62.7220 174.1806 82 S 4.6093 8.8791 123.0525 61.2593 63.2214 175.4207 83 V 4.0516 8.2218 119.8306 65.0292 31.9625 177.1699 84 T 4.0375 7.8749 108.7724 65.8881 69.3095 174.5745 85 G 3.8788 8.7220 113.9959 45.2284 0.0000 173.7739 86 A 4.5775 7.8850 121.8109 52.2139 19.7632 176.5763 87 I 5.0441 8.0997 118.1948 59.8490 41.3623 175.1135 88 C 4.5577 8.8965 126.9059 57.9132 32.6038 173.5715 89 L 4.4028 8.1765 129.3936 53.6402 43.6432 175.7723 90 D 4.3539 8.9777 126.9838 57.3338 41.3879 178.5069 91 I 4.4607 7.6738 109.8203 62.9183 37.9163 177.0018 92 L 4.4680 8.2366 122.6045 57.6040 42.1231 177.2191 93 K 4.3009 7.9370 117.1125 56.7510 32.9689 175.2578 94 N 4.8098 8.5853 112.7364 54.1373 41.2216 175.6474 95 A 4.5788 7.5219 123.9590 50.4021 17.9086 175.2258 96 W 4.8255 8.1773 130.4989 56.5679 32.0435 175.7436 97 S 4.2804 8.0203 119.7593 56.6096 61.8199 172.9100 98 P 4.6989 0.0000 0.0000 64.2473 31.1494 177.3755 99 V 4.1279 7.1373 110.2471 60.8434 31.9737 175.4976 100 I 3.8002 6.6856 121.9737 60.6198 37.2802 176.9937 101 T 4.4122 8.2219 116.5836 61.3572 71.0039 175.4737 102 L 4.0571 9.3022 123.6150 57.9251 40.5666 179.6933 103 K 3.8618 8.2235 119.2146 59.7847 31.9562 178.5384 104 S 4.1893 7.9515 113.0269 61.1515 62.1988 175.9829 105 A 4.0428 8.2727 123.6615 55.2434 18.1700 179.6801 106 L 3.9382 8.0625 117.5235 57.9012 41.6765 179.7780 107 I 3.5816 7.2308 116.8346 64.0443 36.8235 178.3364 108 S 3.9934 7.9882 114.2848 61.3439 62.1934 176.2292 109 L 3.7979 7.4388 121.6265 57.5247 41.2973 178.9531 110 Q 3.4032 6.6657 119.1671 59.2641 28.6564 178.7667 111 A 3.9607 7.5284 119.9606 54.7638 18.3895 179.0065 112 L 3.9900 7.7811 118.5849 58.3884 41.4968 178.9404 113 L 3.5828 7.7344 118.8721 57.6207 41.2441 179.0298 114 Q 4.5740 7.7723 118.5658 58.3067 29.4482 176.9305 115 S 4.5724 7.4299 115.1328 56.0550 64.6271 171.5255 116 P 4.3713 0.0000 0.0000 62.3694 31.8541 176.2721 117 E 4.7623 8.0185 120.4047 54.4846 33.5460 174.8145 118 P 4.6053 0.0000 0.0000 61.6464 30.1386 173.7320 119 N 4.6727 7.9202 119.4415 55.3513 41.4256 175.2811 120 D 4.6333 7.8116 124.4672 52.2807 40.5394 173.6935 121 P 4.5561 0.0000 0.0000 61.6453 32.8933 173.6994 122 Q 4.0047 8.4961 123.6888 56.8581 29.2580 176.2118 123 D 4.5650 8.4182 125.6429 53.2327 42.0296 176.0137 124 A 4.0230 8.4897 127.8492 55.3484 18.4414 178.8899 125 E 3.9801 8.1532 116.3422 59.2771 29.4615 179.6422 126 V 3.3693 7.6885 118.0040 65.5983 31.6158 177.6624 127 A 3.9543 7.7911 120.1509 55.1732 18.2671 179.0871 128 Q 3.8928 8.1219 118.0557 59.7565 29.0612 178.0165 129 H 4.0996 8.5274 119.2682 59.8655 29.6744 176.4332 130 Y 3.7715 8.0772 119.7428 60.4012 38.5558 177.6735 131 L 3.9873 7.7322 119.2694 57.8969 41.8506 179.2428 132 R 3.9467 7.9183 117.1839 57.5336 30.4010 175.9214 133 D 5.0104 7.2819 116.2800 52.4604 43.8735 175.2334 134 R 4.7871 8.1477 123.7583 55.5666 30.5955 174.9756 135 E 4.6216 8.4834 114.3630 57.0164 32.6013 177.4822 136 S 4.1545 8.1831 114.3092 59.9760 62.4602 175.8078 137 F 4.0986 9.4424 124.2289 61.4865 38.7879 176.8558 138 N 4.4101 8.4140 115.5687 55.9853 37.9731 177.4230 139 K 3.8366 8.1772 120.0379 59.7838 32.1322 179.5278 140 T 3.6066 7.8760 115.6544 66.4855 68.4083 176.9508 141 A 3.8026 7.3895 122.3134 55.0152 18.3140 179.5585 142 A 3.9953 7.3200 119.5919 55.0190 18.4422 179.4968 143 L 3.8739 7.5761 118.4777 58.2944 42.2044 179.2179 144 W 4.2538 8.6513 118.9619 60.1113 28.8033 178.5772 145 T 3.9124 8.2478 115.5562 66.9561 67.7739 176.9776 146 R 4.0370 7.8077 118.1470 58.9043 30.0247 178.3218 147 L 4.1142 7.6038 118.2855 57.1362 42.0482 177.7713 148 Y 4.1476 7.8770 116.6227 60.7386 38.5995 177.2776 149 A 4.3356 7.1438 122.9518 50.0238 17.4038 177.3946 150 S 4.2621 7.6681 119.9955 58.0750 63.0306 174.7891 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.47 0.00 3.91 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 3 R 8.96 3.95 0.00 2.24 1.99 0.00 3.39 0.00 0.00 3.53 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 4 A 8.41 4.10 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 5 K 7.30 4.40 0.00 1.87 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.49 4.54 0.00 2.01 1.86 0.00 3.17 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.00 7 I 8.18 3.93 2.18 0.00 0.00 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 1.82 0.98 1.06 0.00 0.00 8 M 8.25 4.14 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 9 K 7.80 3.98 0.00 2.03 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 E 8.25 4.01 0.00 2.25 2.05 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 2.47 2.46 0.00 11 I 8.08 3.68 1.98 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 1.05 0.00 0.00 12 Q 7.95 3.95 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 13 A 7.87 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 14 V 7.93 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 15 K 7.88 3.90 0.00 1.93 2.12 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 16 D 8.13 4.71 0.00 2.71 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 17 D 7.37 4.81 0.00 2.64 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 18 P 0.00 4.38 0.00 2.24 2.12 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 19 A 8.14 4.01 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 20 A 7.97 3.98 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 21 H 8.41 4.32 0.00 3.47 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.70 4.97 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.87 0.94 0.00 0.00 23 T 8.65 4.43 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 L 8.47 4.79 0.00 1.43 1.43 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.52 4.53 0.00 2.07 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 2.36 2.24 0.00 26 F 8.84 4.56 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 27 V 8.71 3.61 2.24 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 0.81 0.00 0.00 0.98 0.00 0.00 28 S 8.06 4.05 0.00 4.05 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 29 E 8.16 4.52 0.00 1.84 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 2.18 2.24 0.00 30 S 7.11 3.69 0.00 3.61 3.52 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 31 D 6.22 4.72 0.00 2.76 2.36 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 32 I 8.31 4.94 1.98 0.00 0.00 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 1.52 0.67 0.96 0.00 0.00 33 H 9.20 4.97 0.00 3.11 3.43 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.37 4.67 0.00 3.07 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.02 4.76 0.00 1.39 1.22 0.69 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.88 4.16 0.00 1.72 1.71 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 37 G 8.83 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 38 T 9.12 5.43 4.20 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 1.21 0.00 0.00 39 F 8.41 5.53 0.00 3.17 3.19 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 40 L 8.68 4.93 0.00 1.60 1.68 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.69 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 0.00 0.00 0.00 0.00 42 P 0.00 4.60 0.00 2.18 2.19 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 43 P 0.00 4.51 0.00 2.23 2.11 0.00 3.95 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 44 G 8.54 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 0.00 0.00 0.00 45 T 7.37 4.25 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 1.40 0.00 0.00 46 P 0.00 4.13 0.00 1.39 1.90 0.00 3.66 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 2.09 2.19 0.00 47 Y 7.42 5.09 0.00 3.00 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 48 E 7.54 4.46 0.00 2.14 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 2.39 2.29 0.00 49 G 8.64 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 50 G 7.36 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.86 4.35 0.00 1.78 1.72 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 52 F 8.94 4.50 0.00 1.84 2.27 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 53 V 8.16 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 54 V 7.82 4.04 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 0.59 0.00 0.00 -0.08 0.00 0.00 55 D 8.62 4.85 0.00 3.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.82 1.79 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 0.96 1.38 0.71 0.00 0.00 57 E 8.63 4.25 0.00 2.15 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 2.32 2.34 0.00 58 V 8.03 3.75 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 0.11 0.00 0.00 0.63 0.00 0.00 59 P 0.00 4.63 0.00 2.12 1.93 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 60 M 8.60 3.86 0.00 2.02 2.16 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 2.60 2.60 0.00 61 E 8.24 4.44 0.00 2.22 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 0.00 2.42 2.39 0.00 62 Y 8.20 4.68 0.00 3.09 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 63 P 0.00 3.89 0.00 1.87 1.91 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.72 0.00 64 F 8.25 4.49 0.00 3.28 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 65 K 8.07 4.44 0.00 1.77 1.65 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.54 7.81 66 P 0.00 2.97 0.00 1.93 1.89 0.00 3.67 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 1.91 2.17 0.00 67 P 0.00 4.11 0.00 1.91 1.80 0.00 2.93 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 68 K 8.83 4.15 0.00 1.77 1.77 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.38 7.81 69 M 8.19 4.61 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 70 Q 8.72 4.71 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 71 F 9.16 4.58 0.00 3.09 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 D 8.67 4.47 0.00 2.54 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 73 T 8.02 3.80 4.50 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 0.97 0.00 0.00 74 K 7.66 3.97 0.00 0.79 0.83 0.00 1.49 0.00 0.00 1.38 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.49 7.81 75 V 8.17 4.62 1.80 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 0.83 0.00 0.00 0.60 0.00 0.00 76 Y 8.74 4.03 0.00 1.86 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 77 H 7.78 5.05 0.00 3.02 2.91 0.00 5.94 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 78 P 0.00 4.11 0.00 1.96 1.98 0.00 3.06 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.93 0.00 79 N 7.68 4.82 0.00 2.85 3.02 0.00 0.00 7.62 7.44 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 80 I 7.29 4.77 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.60 0.00 0.00 81 S 8.96 4.58 0.00 3.98 3.79 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 0.00 0.00 0.00 82 S 8.88 4.61 0.00 4.13 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 83 V 8.22 4.05 2.14 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 0.86 0.00 0.00 1.04 0.00 0.00 84 T 7.87 4.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 G 8.72 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 86 A 7.88 4.58 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 87 I 8.10 5.04 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 1.03 0.00 0.00 88 C 8.90 4.56 0.00 3.02 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 89 L 8.18 4.40 0.00 1.72 1.51 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.98 4.35 0.00 2.82 2.67 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 0.00 0.00 0.00 0.00 91 I 7.67 4.46 1.96 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 1.29 1.71 0.98 0.00 0.00 92 L 8.24 4.47 0.00 1.73 2.03 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.94 4.30 0.00 1.80 1.82 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 94 N 8.59 4.81 0.00 2.97 2.80 0.00 0.00 7.31 7.23 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 95 A 7.52 4.58 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 96 W 8.18 4.83 0.00 3.22 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 97 S 8.02 4.28 0.00 3.70 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 98 P 0.00 4.70 0.00 1.81 1.58 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 99 V 7.14 4.13 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 0.58 0.00 0.00 0.79 0.00 0.00 100 I 6.69 3.80 0.56 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 0.97 -0.07 0.78 0.00 0.00 101 T 8.22 4.41 4.27 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 1.20 0.00 0.00 102 L 9.30 4.06 0.00 1.75 1.79 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.22 3.86 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 104 S 7.95 4.19 0.00 3.87 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 0.00 105 A 8.27 4.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.06 3.94 0.00 1.72 1.84 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.23 3.58 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.90 0.00 0.00 108 S 7.99 3.99 0.00 3.86 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 0.00 109 L 7.44 3.80 0.00 1.35 1.67 1.00 1.06 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 0.00 110 Q 6.67 3.40 0.00 1.33 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 111 A 7.53 3.96 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 0.00 112 L 7.78 3.99 0.00 1.70 1.76 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.73 3.58 0.00 1.63 1.29 0.40 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.77 4.57 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.27 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 115 S 7.43 4.57 0.00 4.06 3.79 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 0.00 0.00 0.00 116 P 0.00 4.37 0.00 1.26 1.60 0.00 3.80 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 2.37 2.55 0.00 117 E 8.02 4.76 0.00 1.87 1.80 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 2.25 2.31 0.00 118 P 0.00 4.61 0.00 2.20 2.17 0.00 3.78 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 2.00 2.07 0.00 119 N 7.92 4.67 0.00 2.67 2.83 0.00 0.00 7.23 8.07 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 0.00 120 D 7.81 4.63 0.00 2.69 2.63 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 0.00 121 P 0.00 4.56 0.00 2.16 2.04 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 122 Q 8.50 4.00 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 123 D 8.42 4.57 0.00 2.72 2.56 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 0.00 124 A 8.49 4.02 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 0.00 125 E 8.15 3.98 0.00 2.01 2.05 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 2.42 2.34 0.00 126 V 7.69 3.37 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 0.52 0.00 0.00 0.46 0.00 0.00 127 A 7.79 3.95 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 0.00 128 Q 8.12 3.89 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 129 H 8.53 4.10 0.00 3.48 3.58 0.00 5.66 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 0.00 130 Y 8.08 3.77 0.00 2.57 2.79 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 0.00 0.00 0.00 131 L 7.73 3.99 0.00 1.82 1.68 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.92 3.95 0.00 1.86 2.13 0.00 3.17 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 133 D 7.28 5.01 0.00 2.65 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 0.00 134 R 8.15 4.79 0.00 1.62 1.76 0.00 3.30 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 135 E 8.48 4.62 0.00 2.18 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 2.25 2.35 0.00 136 S 8.18 4.15 0.00 3.94 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 0.00 137 F 9.44 4.10 0.00 3.39 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 0.00 138 N 8.41 4.41 0.00 2.99 2.89 0.00 0.00 7.29 7.78 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 0.00 139 K 8.18 3.84 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 140 T 7.88 3.61 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 -0.40 0.00 0.00 141 A 7.39 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.32 4.00 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 0.00 143 L 7.58 3.87 0.00 1.85 1.98 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 144 W 8.65 4.25 0.00 3.49 3.44 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 0.00 145 T 8.25 3.91 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 1.46 0.00 0.00 146 R 7.81 4.04 0.00 1.79 1.96 0.00 3.31 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 147 L 7.60 4.11 0.00 1.15 1.15 0.67 0.73 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 0.00 148 Y 7.88 4.15 0.00 2.98 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 0.00 149 A 7.14 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.67 4.26 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00