NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5994 8.3649 120.1940 53.6446 41.5224 175.1030 2 C 4.1706 8.2298 119.4452 55.4758 41.5284 171.6511 3 P 4.4153 0.0000 0.0000 62.0040 32.5335 174.8097 4 S 4.3958 8.4633 115.4153 62.7098 61.9116 174.2418 5 D 4.9117 9.2103 123.8314 52.3752 37.1557 174.7617 6 W 4.7311 8.1753 119.3644 55.9290 30.6345 176.3174 7 S 4.8484 9.2406 120.2373 57.9108 64.5046 172.9574 8 S 5.9183 8.7077 116.2024 56.0888 64.8785 172.8797 9 Y 4.1909 8.6430 126.5706 57.5530 41.8403 174.4446 10 E 3.3929 9.0726 127.5789 57.5028 27.1117 175.2991 11 G 3.9200 7.7985 102.6503 46.3874 0.0000 171.4741 12 H 5.1738 8.2871 115.9045 53.7219 33.0378 171.8322 13 C 5.4294 8.5021 118.1832 55.5084 41.0298 172.7618 14 Y 5.6925 9.4701 120.0934 56.6037 42.4083 174.6457 15 K 4.1799 8.5425 121.3105 54.9928 35.8679 172.9315 16 P 5.1098 0.0000 0.0000 62.1236 32.6036 175.4658 17 F 4.8020 9.2165 121.4785 55.7432 42.0461 176.4236 18 S 3.3384 8.3641 115.5358 59.6160 63.6747 173.9888 19 E 3.9940 7.7162 122.2681 55.0463 29.7219 174.8356 20 P 4.6674 0.0000 0.0000 62.7586 31.9938 176.0062 21 K 4.8300 8.8921 122.5900 54.4769 37.4018 175.8160 22 N 5.9634 8.5173 118.8467 51.3270 38.7938 175.7952 23 W 2.6929 8.2681 126.8539 60.2113 30.2577 177.3408 24 A 3.8565 8.0346 119.8056 55.5874 17.7445 179.2707 25 D 4.1259 8.5481 117.1523 57.2459 40.8162 178.9289 26 A 2.9605 7.4618 121.4546 54.4005 18.2239 179.3845 27 E 3.3775 7.3513 117.9721 59.1425 29.6292 178.4888 28 N 4.1542 7.9960 117.3484 56.5649 39.1599 176.2827 29 F 3.9281 8.1637 122.1279 61.7885 38.9336 176.5376 30 C 4.6227 8.3424 116.0599 60.1172 38.1662 176.3231 31 T 4.3079 7.4973 112.4644 64.3242 68.3394 176.4492 32 Q 4.1089 7.7236 118.4573 57.1167 28.7193 177.6187 33 Q 4.0391 7.1452 119.8146 58.0179 29.3555 174.4398 34 H 4.0582 6.8770 115.4163 54.8867 33.3328 172.4691 35 A 3.8590 7.5597 125.8840 53.1018 18.5576 177.8647 36 G 4.3499 8.2082 109.1680 46.2219 0.0000 173.2701 37 G 4.0372 7.4159 107.3934 45.1665 0.0000 173.4161 38 H 5.4375 9.2995 120.7977 54.0984 34.2258 172.4709 39 L 4.7149 8.7219 122.2279 54.8936 42.6202 177.0943 40 V 4.3981 9.0152 125.1280 62.4943 32.5446 175.2757 41 S 4.8751 9.5037 116.3144 56.6303 65.6790 173.3251 42 F 5.2731 8.7780 122.6394 56.4945 40.1061 175.6009 43 Q 4.7686 8.9879 122.9743 55.7641 31.0374 175.7242 44 S 4.6572 7.5543 111.5667 56.3923 66.9116 175.3604 45 S 4.1107 8.5218 117.9091 61.3828 62.3950 176.8182 46 E 3.8435 8.0273 121.0112 59.4597 29.3481 178.7252 47 E 2.8825 7.8472 118.7494 58.8227 29.5340 178.7256 48 A 2.5800 7.2657 120.2266 54.7870 18.3431 179.3839 49 D 4.0373 8.0793 117.7998 57.1003 40.7053 178.7035 50 F 3.8328 7.9352 121.4428 61.2860 39.3221 177.3989 51 V 3.0195 7.3151 117.6928 65.6766 31.1974 178.0985 52 V 3.3450 7.3712 118.1210 65.6833 31.2889 177.9377 53 K 3.8144 7.8239 119.3615 59.2678 32.0438 178.5003 54 L 3.5837 7.5423 120.5107 57.9395 41.8653 178.6671 55 A 3.5819 8.0091 121.0444 54.9666 18.1244 179.4321 56 F 4.0020 8.2113 120.4629 61.1328 39.3494 177.4303 57 Q 3.9702 8.3159 116.4910 58.7926 28.4419 178.4985 58 T 3.8918 7.4053 115.5779 64.6531 69.0810 175.6707 59 F 4.9806 7.6947 115.4584 56.3416 41.1133 177.2602 60 G 2.8796 7.9336 109.7949 46.2665 0.0000 174.9409 61 H 4.7720 8.5311 125.4882 56.0603 29.1461 173.9164 62 S 4.6605 9.3665 122.1812 57.5390 66.6303 172.0459 63 I 4.9939 7.7906 113.4464 59.0662 39.8828 174.6109 64 F 4.9516 8.7194 124.1768 55.0155 42.1116 174.6266 65 W 5.2031 9.1773 122.7862 57.3342 30.0730 175.3479 66 M 4.8974 9.1172 122.9241 52.7394 34.4994 176.0017 67 G 4.1640 8.7121 109.1507 46.0692 0.0000 174.2186 68 L 4.5324 7.9669 120.8030 52.7270 44.6542 175.0047 69 S 3.9508 7.5750 118.8728 56.0826 66.3838 172.5777 70 N 4.3910 7.9064 113.6206 52.4459 35.8810 176.9349 71 V 3.3479 6.9559 112.0253 63.6995 32.1367 177.8176 72 W 5.0711 7.5193 115.6640 56.2381 30.8415 176.7646 73 N 4.2944 8.2919 117.9558 56.2273 38.0257 176.4441 74 Q 4.4929 7.9713 113.9016 55.8678 28.9338 175.3333 75 C 4.3639 7.8359 116.7308 59.2068 28.8821 173.5347 76 N 4.6565 8.1353 120.0218 52.1594 37.2878 173.3914 77 W 4.3981 8.5461 124.7079 55.7706 30.1287 176.3583 78 Q 4.6600 8.2814 121.1473 53.8259 32.5186 174.6763 79 W 4.5885 8.7071 121.5741 56.0208 29.9576 177.7426 80 S 4.4675 9.0747 117.3299 60.3426 62.4886 174.4200 81 N 4.6656 8.2683 116.8671 51.9901 37.4935 174.4529 82 A 3.7771 8.5934 120.3414 53.3523 16.6479 178.1427 83 A 4.2487 8.0733 120.8749 53.4915 19.1534 178.4870 84 M 4.3389 8.4124 120.7311 55.4602 32.8766 177.6928 85 L 4.7060 8.4883 126.8595 54.0734 40.8921 175.7121 86 R 4.3590 8.0688 118.6638 57.9133 31.0050 177.3826 87 Y 4.3774 7.9763 119.5490 56.2954 39.5067 174.4727 88 K 4.3781 7.6958 125.0241 54.8087 35.6384 176.5582 89 A 4.4804 7.3104 124.6152 50.3624 19.0770 176.9177 90 W 4.1743 8.0094 120.5050 57.4382 30.2215 177.1746 91 A 4.2111 8.9422 126.0149 54.7979 18.2257 177.6707 92 E 4.8134 7.9979 113.0778 54.3833 32.6775 176.2295 93 E 3.9472 8.8708 122.8033 59.2636 30.0603 177.3625 94 S 4.7308 7.5372 112.2070 57.2466 67.9713 172.7365 95 Y 4.8921 8.5180 119.1762 56.4826 40.9475 175.4315 96 C 4.9668 9.4699 119.4523 55.0549 45.1885 172.9784 97 V 5.1982 8.1332 120.6209 62.1151 33.3737 174.2386 98 Y 5.4804 8.8463 123.8101 56.0288 42.0302 173.0255 99 F 5.2221 9.2316 114.9125 54.8841 42.0698 173.5012 100 K 5.2374 8.6886 119.9903 54.3504 34.2794 176.7892 101 S 4.6468 9.5860 122.8237 60.4326 63.0788 175.3379 102 T 4.0874 7.9436 111.2428 63.8984 69.1915 173.6062 103 N 4.7015 8.2565 117.9243 52.4388 40.1508 173.4225 104 N 4.8632 8.5116 113.1256 52.6252 37.5388 175.4427 105 K 4.3414 7.9720 117.6104 56.8032 32.8215 176.1474 106 W 5.0102 8.6938 121.6230 55.9607 30.4725 175.8806 107 R 4.9886 8.6970 122.2862 54.3433 34.2019 174.1959 108 S 5.6350 8.8696 114.3973 57.1080 65.9148 173.3307 109 R 4.9476 9.5471 121.2465 54.6748 34.1469 173.9086 110 A 3.6656 8.4140 126.9195 52.1310 19.0945 179.3675 111 C 4.0466 8.7919 120.5394 59.4710 40.4650 176.0513 112 R 3.9261 7.7407 114.1939 57.7833 29.9407 176.5683 113 M 4.4140 8.0240 119.2188 55.4329 33.3085 175.6433 114 M 4.9257 8.3532 119.7333 55.3995 33.6222 175.5292 115 A 3.8738 7.8998 119.9551 51.3039 23.3914 176.5203 116 Q 4.6751 7.4980 119.6375 55.6488 31.2790 174.5978 117 F 5.4651 8.0588 111.7155 56.6304 41.8145 173.1911 118 V 5.0799 8.5128 116.2614 61.6196 34.1455 174.0841 119 C 5.6349 9.7747 125.6107 56.2280 43.8839 172.2495 120 E 5.5250 9.8522 121.3762 55.1668 33.3737 173.8798 121 F 5.5611 8.6957 119.3524 56.1572 42.1230 172.7301 122 Q 4.6653 8.9330 116.8382 55.2815 31.7715 175.6961 123 A 3.9778 8.2829 121.8686 52.7265 19.2545 177.9629 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 D 8.36 4.60 0.00 2.65 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 2 C 8.23 4.17 0.00 3.28 3.16 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 3 P 0.00 4.42 0.00 2.05 1.98 0.00 3.48 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 4 S 8.46 4.40 0.00 3.96 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 5 D 9.21 4.91 0.00 2.84 3.27 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 6 W 8.18 4.73 0.00 3.36 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.24 4.85 0.00 4.03 4.11 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 8 S 8.71 5.92 0.00 3.91 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 9 Y 8.64 4.19 0.00 1.43 2.33 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 10 E 9.07 3.39 0.00 1.77 1.72 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 1.47 1.65 0.00 11 G 7.80 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 0.00 0.00 0.00 12 H 8.29 5.17 0.00 3.31 2.54 0.00 5.77 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 13 C 8.50 5.43 0.00 1.23 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 14 Y 9.47 5.69 0.00 3.05 2.94 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 15 K 8.54 4.18 0.00 0.79 0.74 0.00 0.70 0.00 0.00 0.62 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.30 0.46 7.81 16 P 0.00 5.11 0.00 1.94 1.90 0.00 3.31 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 17 F 9.22 4.80 0.00 1.51 2.26 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 18 S 8.36 3.34 0.00 3.45 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 19 E 7.72 3.99 0.00 1.90 1.81 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 2.21 2.28 0.00 20 P 0.00 4.67 0.00 1.88 1.83 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 21 K 8.89 4.83 0.00 1.50 1.49 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.62 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 22 N 8.52 5.96 0.00 3.27 3.13 0.00 0.00 6.35 8.88 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 23 W 8.27 2.69 0.00 1.97 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 24 A 8.03 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 25 D 8.55 4.13 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.46 2.96 0.33 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 27 E 7.35 3.38 0.00 1.16 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 1.93 2.10 0.00 28 N 8.00 4.15 0.00 2.75 2.70 0.00 0.00 6.89 8.49 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 29 F 8.16 3.93 0.00 3.07 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 30 C 8.34 4.62 0.00 3.24 3.33 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 31 T 7.50 4.31 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 1.27 0.00 0.00 32 Q 7.72 4.11 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 33 Q 7.15 4.04 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.77 0.00 0.00 0.00 0.00 0.00 3.34 2.75 0.00 34 H 6.88 4.06 0.00 2.50 2.17 0.00 5.64 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 35 A 7.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.21 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 0.00 0.00 0.00 0.00 37 G 7.42 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 0.00 0.00 0.00 38 H 9.30 5.44 0.00 3.16 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.72 4.71 0.00 1.75 1.70 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.02 4.40 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 1.04 0.00 0.00 1.53 0.00 0.00 41 S 9.50 4.88 0.00 4.04 3.94 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 42 F 8.78 5.27 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 43 Q 8.99 4.77 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 44 S 7.55 4.66 0.00 4.17 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 45 S 8.52 4.11 0.00 3.85 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 46 E 8.03 3.84 0.00 2.13 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 2.46 2.44 0.00 47 E 7.85 2.88 0.00 2.05 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 2.18 2.15 0.00 48 A 7.27 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.08 4.04 0.00 2.66 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 50 F 7.94 3.83 0.00 2.50 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 51 V 7.32 3.02 1.73 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 1.05 0.00 0.00 0.77 0.00 0.00 52 V 7.37 3.35 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 1.03 0.00 0.00 0.48 0.00 0.00 53 K 7.82 3.81 0.00 1.78 1.75 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 54 L 7.54 3.58 0.00 1.15 1.36 0.72 1.09 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 55 A 8.01 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.21 4.00 0.00 3.42 3.15 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 57 Q 8.32 3.97 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 58 T 7.41 3.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59 F 7.69 4.98 0.00 3.24 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 60 G 7.93 2.88 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 61 H 8.53 4.77 0.00 3.33 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.37 4.66 0.00 3.76 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 4.99 1.63 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.04 0.99 0.00 0.00 64 F 8.72 4.95 0.00 1.51 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 65 W 9.18 5.20 0.00 3.32 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 66 M 9.12 4.90 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 1.97 0.00 67 G 8.71 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 0.00 0.00 0.00 0.00 68 L 7.97 4.53 0.00 1.49 1.27 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.58 3.95 0.00 2.72 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 70 N 7.91 4.39 0.00 2.60 2.75 0.00 0.00 7.60 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 71 V 6.96 3.35 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 0.32 0.00 0.00 -0.68 0.00 0.00 72 W 7.52 5.07 0.00 3.79 3.31 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 73 N 8.29 4.29 0.00 2.76 2.78 0.00 0.00 6.92 7.98 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 74 Q 7.97 4.49 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 75 C 7.84 4.36 0.00 3.04 2.59 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 76 N 8.14 4.66 0.00 2.67 2.70 0.00 0.00 7.00 7.95 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 77 W 8.55 4.40 0.00 3.38 3.16 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 78 Q 8.28 4.66 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 79 W 8.71 4.59 0.00 3.51 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.07 4.47 0.00 4.03 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 81 N 8.27 4.67 0.00 2.84 2.96 0.00 0.00 6.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.59 3.78 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 83 A 8.07 4.25 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 84 M 8.41 4.34 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 85 L 8.49 4.71 0.00 1.78 1.75 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.07 4.36 0.00 2.05 2.11 0.00 3.13 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 87 Y 7.98 4.38 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.70 4.38 0.00 1.65 1.75 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.62 7.81 89 A 7.31 4.48 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 90 W 8.01 4.17 0.00 3.18 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 91 A 8.94 4.21 1.38 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 92 E 8.00 4.81 0.00 2.04 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 2.07 2.32 0.00 93 E 8.87 3.95 0.00 1.86 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 2.22 2.29 0.00 94 S 7.54 4.73 0.00 3.52 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.52 4.89 0.00 2.54 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 96 C 9.47 4.97 0.00 2.58 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 5.20 1.89 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 0.76 0.00 0.00 0.83 0.00 0.00 98 Y 8.85 5.48 0.00 2.99 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 99 F 9.23 5.22 0.00 3.18 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 0.00 100 K 8.69 5.24 0.00 1.98 1.81 0.00 1.84 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.64 7.81 101 S 9.59 4.65 0.00 4.44 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 0.00 102 T 7.94 4.09 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 1.24 0.00 0.00 103 N 8.26 4.70 0.00 2.81 2.82 0.00 0.00 6.93 8.73 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 0.00 104 N 8.51 4.86 0.00 2.80 2.80 0.00 0.00 6.02 7.13 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 0.00 105 K 7.97 4.34 0.00 1.87 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.46 7.81 106 W 8.69 5.01 0.00 3.14 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 0.00 107 R 8.70 4.99 0.00 0.67 1.54 0.00 2.61 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 108 S 8.87 5.63 0.00 4.18 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 0.00 109 R 9.55 4.95 0.00 1.81 1.93 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 110 A 8.41 3.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.79 4.05 0.00 2.84 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 0.00 112 R 7.74 3.93 0.00 1.90 2.01 0.00 3.01 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 113 M 8.02 4.41 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 114 M 8.35 4.93 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 115 A 7.90 3.87 -0.38 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 0.00 116 Q 7.50 4.68 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 117 F 8.06 5.47 0.00 3.31 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 0.00 118 V 8.51 5.08 2.45 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 1.32 0.00 0.00 1.06 0.00 0.00 119 C 9.77 5.63 0.00 3.52 3.60 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 0.00 120 E 9.85 5.53 0.00 2.20 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 2.23 1.72 0.00 121 F 8.70 5.56 0.00 3.15 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 0.00 122 Q 8.93 4.67 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.90 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 123 A 8.28 3.98 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