NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5660 8.3649 120.1865 53.9011 42.8671 176.2568 3 K 4.2607 7.7635 114.3578 55.7107 33.3301 175.2171 4 I 4.0250 8.3738 121.7212 61.5349 38.6972 175.2503 5 I 4.1561 8.7588 127.9181 60.8177 38.7640 174.3768 6 H 4.9096 8.7763 126.9397 54.9874 30.2718 174.4610 7 L 4.7157 8.7972 126.9783 54.1124 43.3308 176.1157 8 T 4.9079 8.4841 109.8361 59.0491 72.1322 174.6768 9 D 4.5120 8.6087 122.9864 57.2654 40.8446 179.0804 10 D 4.5614 8.0879 117.3454 56.7351 41.2353 178.1320 11 S 4.4217 8.2822 114.2667 59.7661 63.3518 175.9246 12 F 3.8529 8.1764 125.2598 61.5567 38.9805 176.4080 13 D 4.3893 8.3453 116.6326 57.8994 40.7558 178.4547 14 T 3.8389 7.6911 113.8806 66.8707 68.7323 176.3291 15 D 4.3777 8.0539 119.4523 56.1075 40.8977 177.4876 16 V 3.7582 7.5747 116.7627 64.3728 32.7120 177.6654 17 L 4.0816 7.3136 116.3195 57.1921 41.8542 178.2380 18 K 4.1339 8.2514 116.1956 57.2972 32.4495 177.1496 19 A 4.1447 7.2293 121.5588 51.8112 18.8915 176.5729 20 D 4.6051 8.2936 122.3717 54.0826 42.1191 175.9891 21 G 3.7746 8.7258 108.4095 43.9199 0.0000 172.1294 22 A 4.7052 8.3746 120.2120 51.7228 20.1574 176.9572 23 I 4.8221 8.9621 122.2580 59.6765 41.6142 174.1960 24 L 4.8639 8.8222 130.7208 54.2904 43.2983 175.3570 25 V 4.6327 9.4899 128.2822 61.4612 33.5379 173.8465 26 D 5.0664 9.2632 128.9079 53.0030 42.6302 174.8952 27 F 5.2855 9.0941 126.2874 56.2234 40.6345 175.2915 28 W 5.1525 8.8067 119.4623 55.8481 32.3315 172.9919 29 A 3.5901 7.8794 119.6827 50.0970 21.3692 177.0158 30 E 4.0041 8.1867 120.5521 59.0521 29.7867 177.9763 31 W 4.5021 7.3328 112.5770 56.7366 28.6568 176.5851 32 C 4.8824 7.7311 120.2860 55.0094 44.8033 174.0203 33 G 3.6834 8.6983 115.4432 47.7949 0.0000 172.5030 34 P 4.3246 0.0000 0.0000 65.0354 31.0899 179.4081 35 C 4.3243 8.1252 114.2899 60.1200 36.2982 175.8677 36 K 3.9580 8.0762 119.7635 59.3493 31.3664 179.0357 37 M 4.0184 7.8664 118.2368 58.4265 32.5205 177.6745 38 I 4.0197 7.6586 110.6420 61.6806 38.2949 177.4275 39 A 3.7795 7.3940 123.9663 55.1706 18.1811 177.9274 40 P 4.3658 0.0000 0.0000 65.4099 31.3524 178.8661 41 I 3.6987 7.6975 118.4630 64.4626 37.0544 178.2072 42 L 3.9428 7.9300 119.6820 57.6673 41.4885 179.2279 43 D 4.3018 7.8794 118.3724 57.4660 40.8108 178.4626 44 E 3.9506 8.0988 118.7714 59.8279 29.4701 179.4677 45 I 3.9592 8.1254 119.4851 64.4729 36.9192 178.3779 46 A 4.0133 7.8247 120.6457 55.2460 18.5929 179.1480 47 D 4.4332 7.9404 116.8353 57.6622 40.7570 178.5255 48 E 3.9642 8.4658 118.6403 58.6779 29.7645 177.0631 49 Y 4.5996 8.2229 115.4251 57.2788 38.5431 175.3998 50 Q 4.2893 7.6062 117.7761 57.7892 28.8341 177.4726 51 G 4.1121 8.8812 107.7783 45.6490 0.0000 174.3540 52 K 4.4581 7.9910 117.3155 56.8424 34.1446 176.4295 53 L 4.8461 7.6299 119.2709 53.7943 45.2990 175.4824 54 T 4.4160 8.6160 123.3067 62.5627 70.2073 173.8276 55 V 4.6982 8.3482 126.2746 61.6205 33.5284 174.3653 56 A 5.2238 9.1762 128.7424 50.1095 23.0924 174.7197 57 K 4.9273 9.0504 119.3032 54.4007 36.1122 175.1268 58 L 4.8774 9.0311 126.7822 53.0178 44.8779 174.8780 59 N 4.1447 8.6825 126.5811 52.9282 39.1168 175.4626 60 I 4.1604 8.3092 121.2696 63.1139 38.3890 178.5008 61 D 4.4656 8.1702 122.9999 57.5538 40.8394 177.8333 62 Q 4.1772 8.1359 116.3263 57.9570 29.1650 175.9693 63 N 5.0445 8.3250 116.2805 50.6710 38.5241 172.9096 64 P 4.6832 0.0000 0.0000 63.1669 32.3837 178.7209 65 G 3.7425 8.5353 108.6594 48.3965 0.0000 175.4407 66 T 3.9836 7.9754 116.7020 66.1544 69.1469 176.7722 67 A 3.8287 8.3201 122.8121 54.9434 18.4781 177.8261 68 P 4.1558 0.0000 0.0000 65.3731 31.1103 178.8265 69 K 3.9465 7.7419 116.0644 58.3220 30.5088 177.1653 70 Y 4.5294 7.9793 115.5526 56.6092 38.5784 175.9107 71 G 4.1024 7.7177 107.1734 46.2256 0.0000 174.2464 72 I 3.7563 7.0883 119.1530 61.1625 37.3162 176.6405 73 R 4.4047 8.5205 124.2296 56.8236 31.2562 176.1016 74 S 4.7771 7.6496 110.1694 56.6306 66.1340 172.8029 75 I 4.7452 7.9680 113.5205 58.0787 40.3103 173.3504 76 P 4.9417 0.0000 0.0000 62.6063 33.0271 174.9619 77 T 5.0028 8.5783 117.9715 61.8262 72.4418 172.4693 78 L 5.2211 8.8691 126.4524 53.1353 44.0514 175.2537 79 L 4.9230 8.9798 124.4306 52.8798 44.3110 175.1971 80 L 4.9693 8.9386 126.5604 53.6100 43.9663 174.8085 81 F 5.1484 9.4335 126.4333 56.0612 41.1506 175.2309 82 K 4.6763 9.0961 122.7923 54.5888 35.0547 176.3702 83 N 4.0800 8.9124 124.6458 54.5571 36.2213 175.2051 84 G 4.0452 8.3149 101.2526 45.9786 0.0000 172.5716 85 E 4.8532 7.9319 118.9182 53.7176 32.6572 175.6184 86 V 3.3629 8.4591 122.6765 63.2135 31.8269 175.1642 87 A 4.5609 8.7535 129.1423 53.3309 20.4572 176.7915 88 A 4.6241 7.3207 113.4824 51.5702 22.2847 175.6230 89 T 5.1634 8.6784 109.7667 59.9225 72.4961 173.3149 90 K 4.4273 8.5046 121.3666 54.6679 36.0207 175.3392 91 V 4.2678 8.5433 124.6362 62.5334 33.1102 176.2722 92 G 3.9112 9.1876 113.1007 44.5713 0.0000 172.8223 93 A 4.1923 7.9932 121.3534 52.1996 18.9003 176.8692 94 L 4.6870 7.8021 119.1360 53.1410 43.4316 176.2024 95 S 4.3972 9.6040 116.3559 57.7966 65.0691 175.2136 96 K 4.0026 8.6504 123.0305 59.7765 31.7763 178.9896 97 G 3.6358 8.0597 105.4206 47.9570 0.0000 175.5807 98 Q 4.0372 8.0843 120.4684 58.5816 28.6436 178.4865 99 L 4.0547 8.0918 121.5162 57.8472 42.0590 179.0805 100 K 4.0251 8.3316 118.7163 59.4113 32.1660 178.6690 101 E 3.9395 8.4058 119.6188 59.3953 29.3381 178.5128 102 F 4.2354 8.2734 119.2870 61.4608 39.6839 176.8329 103 L 3.7449 8.2184 118.6314 57.8068 41.4631 179.1412 104 D 4.4198 8.5199 119.0425 57.4074 40.5289 178.7657 105 A 4.0617 7.7976 119.8168 54.0899 18.4728 178.3048 106 N 4.6949 7.5797 112.1720 53.0302 39.6776 175.4008 107 L 4.5507 7.0133 117.7924 53.9887 42.7431 176.3334 108 A 4.1640 7.9735 127.2881 52.5476 18.2546 177.7139 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 D 8.36 4.57 0.00 2.64 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 3 K 7.76 4.26 0.00 1.84 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.52 7.81 4 I 8.37 4.02 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.89 0.00 0.00 5 I 8.76 4.16 1.82 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 1.08 0.96 0.88 0.00 0.00 6 H 8.78 4.91 0.00 3.20 3.23 0.00 5.72 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 7 L 8.80 4.72 0.00 1.62 1.68 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.48 4.91 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 9 D 8.61 4.51 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.09 4.56 0.00 2.68 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 11 S 8.28 4.42 0.00 4.08 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 12 F 8.18 3.85 0.00 3.35 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 13 D 8.35 4.39 0.00 2.84 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 14 T 7.69 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 D 8.05 4.38 0.00 2.46 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.76 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 -0.31 0.00 0.00 -0.12 0.00 0.00 17 L 7.31 4.08 0.00 1.94 1.74 1.18 0.89 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 18 K 8.25 4.13 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 19 A 7.23 4.14 1.25 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 0.00 0.00 20 D 8.29 4.61 0.00 2.67 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 21 G 8.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.37 4.71 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.96 4.82 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.85 0.00 0.00 24 L 8.82 4.86 0.00 1.80 1.55 1.15 0.47 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 25 V 9.49 4.63 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 0.56 0.00 0.00 0.94 0.00 0.00 26 D 9.26 5.07 0.00 2.71 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 27 F 9.09 5.29 0.00 3.14 2.99 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 28 W 8.81 5.15 0.00 3.33 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 29 A 7.88 3.59 0.07 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 0.00 0.00 30 E 8.19 4.00 0.00 1.86 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 2.38 2.47 0.00 31 W 7.33 4.50 0.00 3.54 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 32 C 7.73 4.88 0.00 2.49 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 33 G 8.70 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.18 2.13 0.00 3.65 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 2.14 2.21 0.00 35 C 8.13 4.32 0.00 3.23 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 36 K 8.08 3.96 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.68 7.81 37 M 7.87 4.02 0.00 2.16 2.10 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 2.60 2.60 0.00 38 I 7.66 4.02 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.51 0.89 0.00 0.00 39 A 7.39 3.78 1.17 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 0.00 0.00 40 P 0.00 4.37 0.00 2.14 2.07 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 41 I 7.70 3.70 2.01 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 1.63 0.66 0.91 0.00 0.00 42 L 7.93 3.94 0.00 1.75 1.63 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.88 4.30 0.00 2.91 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 44 E 8.10 3.95 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 45 I 8.13 3.96 1.88 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 1.70 0.98 0.81 0.00 0.00 46 A 7.82 4.01 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 47 D 7.94 4.43 0.00 2.90 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 48 E 8.47 3.96 0.00 2.09 2.32 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 2.02 2.27 0.00 49 Y 8.22 4.60 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.61 4.29 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 51 G 8.88 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 0.00 0.00 0.00 52 K 7.99 4.46 0.00 2.00 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.50 7.81 53 L 7.63 4.85 0.00 1.59 1.55 0.88 0.64 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 54 T 8.62 4.42 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 1.17 0.00 0.00 55 V 8.35 4.70 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 1.00 0.00 0.00 0.90 0.00 0.00 56 A 9.18 5.22 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.05 4.93 0.00 1.64 1.79 0.00 1.38 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.09 1.16 7.81 58 L 9.03 4.88 0.00 1.51 1.06 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.68 4.14 0.00 2.49 2.56 0.00 0.00 6.92 7.75 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 60 I 8.31 4.16 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 1.05 0.00 0.00 61 D 8.17 4.47 0.00 2.82 2.80 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 62 Q 8.14 4.18 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.22 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 63 N 8.32 5.04 0.00 2.76 2.92 0.00 0.00 6.70 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 64 P 0.00 4.68 0.00 2.19 2.18 0.00 3.50 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 65 G 8.54 3.74 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 66 T 7.98 3.98 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 0.38 0.00 0.00 67 A 8.32 3.83 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.16 0.00 2.13 2.09 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 69 K 7.74 3.95 0.00 1.53 1.33 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 70 Y 7.98 4.53 0.00 3.03 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 G 7.72 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.09 3.76 1.61 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 0.73 0.00 0.00 73 R 8.52 4.40 0.00 1.78 1.97 0.00 3.34 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 74 S 7.65 4.78 0.00 3.95 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 75 I 7.97 4.75 1.87 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.99 0.00 0.00 76 P 0.00 4.94 0.00 2.16 2.25 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 77 T 8.58 5.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 78 L 8.87 5.22 0.00 1.39 1.55 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.98 4.92 0.00 1.91 1.55 0.83 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.94 4.97 0.00 1.97 1.78 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.43 5.15 0.00 3.06 2.96 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 82 K 9.10 4.68 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81 83 N 8.91 4.08 0.00 2.97 2.89 0.00 0.00 7.06 7.53 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 84 G 8.31 4.05 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 0.00 0.00 0.00 85 E 7.93 4.85 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 86 V 8.46 3.36 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 0.61 0.00 0.00 0.21 0.00 0.00 87 A 8.75 4.56 1.20 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 0.00 0.00 88 A 7.32 4.62 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 89 T 8.68 5.16 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 1.14 0.00 0.00 90 K 8.50 4.43 0.00 1.17 1.40 0.00 1.30 0.00 0.00 1.27 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.92 0.21 7.81 91 V 8.54 4.27 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 0.75 0.00 0.00 0.88 0.00 0.00 92 G 9.19 3.91 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 0.00 93 A 7.99 4.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.80 4.69 0.00 1.85 1.54 0.82 0.57 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 95 S 9.60 4.40 0.00 4.04 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 96 K 8.65 4.00 0.00 1.85 1.87 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.55 7.81 97 G 8.06 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 0.00 0.00 0.00 0.00 98 Q 8.08 4.04 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.09 4.05 0.00 1.78 1.82 1.02 0.74 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 0.00 100 K 8.33 4.03 0.00 2.14 1.94 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.67 1.70 7.81 101 E 8.41 3.94 0.00 2.11 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 2.35 2.44 0.00 102 F 8.27 4.24 0.00 3.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.22 3.74 0.00 1.65 1.29 0.35 1.21 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 0.00 104 D 8.52 4.42 0.00 2.68 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 0.00 105 A 7.80 4.06 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 0.00 106 N 7.58 4.69 0.00 2.24 2.61 0.00 0.00 6.82 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 0.00 107 L 7.01 4.55 0.00 1.79 1.66 0.80 0.68 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 0.00 108 A 7.97 4.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00