NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.3029 8.2027 118.8244 56.5636 31.0475 175.9330 9 S 4.2500 7.8597 112.7932 57.4930 62.2670 173.7624 10 N 4.7948 9.4304 116.3397 53.0092 39.2683 175.8692 11 K 4.1959 7.7433 121.5900 58.2713 32.5323 178.8151 12 L 4.2173 7.6503 120.6122 57.0140 40.9631 179.1405 13 I 3.9884 7.6816 120.8181 63.5273 37.0525 177.7940 14 E 4.2793 7.9776 119.5815 58.6543 29.6057 178.2215 15 S 4.6449 8.3646 114.3573 60.1898 63.4015 175.9644 16 S 4.4562 8.3758 117.0024 60.5053 61.4016 175.9190 17 H 4.3578 7.7296 117.7974 59.2610 28.3732 177.5998 18 T 4.1090 7.9689 116.5025 66.1465 68.5812 175.1897 19 L 4.0713 7.0283 118.1236 54.5931 42.3140 177.5882 20 T 4.2236 8.8191 113.1482 60.6801 71.0265 175.4938 21 L 3.8075 8.4104 122.5729 58.8232 41.8277 178.7697 22 N 4.1845 8.0787 115.3170 56.3050 38.0804 176.9760 23 E 3.8180 7.5533 119.8552 59.5157 29.6644 179.4140 24 K 3.8320 8.3452 118.6448 59.7229 31.9827 179.6041 25 R 3.6118 7.8700 118.1552 58.8581 29.7810 178.8275 26 L 4.2510 8.3671 119.1920 58.1415 41.5093 179.9902 27 V 3.6731 7.6233 116.2789 65.3889 31.5191 177.5857 28 L 3.8667 7.3768 119.8600 57.8017 42.0558 177.9847 29 C 4.0428 8.9749 120.0435 62.6619 31.4991 175.0326 30 A 4.1894 8.3236 118.7395 53.1561 17.8814 177.4855 31 A 4.4536 7.9025 118.8221 52.3256 20.1925 179.0509 32 S 4.2973 7.8988 110.7140 61.3105 63.7332 177.6151 33 L 4.3612 7.6103 122.0038 53.0318 40.0341 176.4868 34 I 4.6519 7.1318 116.7563 60.2536 41.5919 174.3162 35 D 5.0495 8.2811 121.0080 52.6146 44.3814 176.1911 36 S 4.4180 8.4892 114.8214 60.6372 63.8469 176.0750 37 R 4.0188 7.7791 119.1838 58.8872 30.2275 177.0051 38 K 4.2707 7.6581 117.4199 55.3779 33.3091 177.5323 39 P 4.6216 0.0000 0.0000 62.3601 32.0444 175.9981 40 L 4.1099 8.3761 118.0846 54.1513 42.2423 175.4275 41 P 4.4702 0.0000 0.0000 62.7098 30.6202 176.9203 42 K 4.1580 8.3211 115.1293 56.4278 30.0639 175.1506 43 D 4.8951 9.0159 129.0408 53.5238 41.2824 173.6590 44 G 4.3507 7.7283 104.5797 46.3666 0.0000 171.6486 45 Y 5.1086 8.3381 118.5017 57.4420 39.1527 175.2124 46 L 4.8754 8.8379 122.9722 53.4461 46.0142 175.4379 47 T 4.9829 8.6909 120.2035 62.2691 70.4549 174.1208 48 I 4.6210 8.7013 126.9593 59.4079 40.2002 174.9156 49 R 4.7633 8.5802 123.6716 54.7349 30.8866 177.3755 50 A 4.1341 8.4561 123.9317 55.2355 18.7329 179.4421 51 D 4.4750 8.1393 117.4505 57.0622 39.3501 178.6641 52 T 4.0077 9.9456 118.0662 65.0696 68.4498 176.2827 53 F 4.5083 8.0920 122.6887 61.3839 39.6304 177.2438 54 A 4.0984 8.1360 119.6827 54.6137 17.8477 179.3148 55 E 3.8254 8.0473 117.2970 59.4722 29.9755 178.5540 56 V 3.5379 7.2046 116.2100 64.2869 31.6401 176.2824 57 F 4.4753 7.7050 114.0936 55.6017 40.1305 173.7816 58 G 3.8584 8.4433 112.4984 45.6736 0.0000 173.0442 59 I 4.6382 7.7235 124.0568 58.7047 41.4980 175.6058 60 D 4.5275 8.6503 122.7942 54.1108 39.2438 177.1119 61 V 3.8863 8.2733 125.4513 63.8398 31.6267 178.1744 62 K 4.0623 8.3322 121.1323 59.1668 32.1871 177.0240 63 H 5.0194 8.6823 114.8008 55.5105 29.5248 176.2577 64 A 4.1411 8.3112 123.5997 55.5396 18.2412 179.4506 65 Y 4.0039 8.1724 117.2085 61.0958 38.9212 177.9463 66 A 3.9032 8.2913 120.7080 55.1193 18.1567 179.4576 67 A 3.8083 7.6978 119.1168 55.3482 18.5307 179.3385 68 L 3.5029 7.8061 118.9340 58.6599 41.8431 178.3665 69 D 4.1973 8.1101 118.1592 57.0473 41.1342 177.2951 70 D 4.2757 8.1894 118.0049 57.6558 41.1265 178.9178 71 A 3.9101 8.2447 120.9110 55.0920 18.4264 179.5075 72 A 3.8225 8.1113 119.4992 55.3994 18.1371 180.0966 73 T 3.9218 7.9647 113.7159 66.8477 68.9273 176.8563 74 K 4.1606 8.0917 120.4444 59.2575 32.1616 179.1415 75 L 4.0500 8.0830 122.2086 57.6326 41.7666 178.8846 76 F 4.1128 8.1567 119.3422 60.9157 39.3888 175.9990 77 N 4.6288 7.9207 113.7413 53.0160 39.0610 175.8048 78 R 4.0672 7.1066 119.5763 56.4215 30.6947 176.0393 79 D 4.6725 8.3389 119.6170 52.4498 43.3260 174.8403 80 I 4.2627 8.7121 128.2578 60.6820 37.7243 175.4006 81 R 5.6020 8.4556 122.7948 53.2466 32.7849 174.5491 82 R 4.7566 8.2287 119.6766 54.8687 33.1995 173.9137 83 Y 5.2193 8.6940 121.2648 56.3885 41.5717 175.8076 84 V 4.1923 8.4453 121.2847 62.2550 33.8923 174.9709 85 K 4.0792 9.6489 129.4947 57.6243 30.2292 176.3943 86 G 4.0436 8.6150 104.6453 45.0424 0.0000 174.1615 87 K 4.7344 7.6137 119.2042 53.9921 34.4410 176.1044 88 V 3.8389 8.2232 122.2148 61.8322 31.8547 175.9565 89 V 4.3437 7.8747 121.2354 62.4327 33.3016 174.8858 90 E 4.6241 7.5306 118.4496 56.0292 32.7696 174.0186 91 R 5.0594 8.4070 125.1858 55.0108 33.7359 174.4572 92 M 4.6212 8.4435 118.9926 54.8427 36.1489 173.4524 93 R 4.7954 8.2337 122.0683 54.1959 32.7672 176.5057 94 W 4.0396 8.9163 122.2881 59.3414 29.4464 176.5641 95 V 4.8888 7.4916 108.4741 59.3038 34.7022 175.6109 96 F 4.9582 8.0744 115.7284 56.8032 39.1383 174.5048 97 H 4.9284 7.2755 118.1359 55.5007 33.0808 172.2703 98 V 4.6180 8.2101 124.1427 60.9759 34.9030 174.2183 99 K 4.4832 8.3946 125.9054 54.7809 35.3041 174.7177 100 Y 4.6498 8.7950 123.0872 56.2791 38.7002 176.8537 101 R 4.5452 8.2099 128.0806 54.4304 29.8446 176.9606 102 E 2.7030 8.0286 122.4845 58.7654 30.2847 178.8141 103 G 3.9062 8.0283 106.4826 47.8506 0.0000 173.5861 104 Q 4.4136 7.7907 116.5627 55.1982 29.6748 176.1585 105 G 3.8561 7.9653 105.4806 45.6988 0.0000 171.9837 106 C 5.3129 6.6161 111.9455 58.2063 32.9311 174.8303 107 V 4.9529 8.1184 112.2131 59.6549 35.7466 174.4729 108 E 4.9462 8.7363 122.4644 54.5708 32.4886 175.0191 109 L 4.7838 8.7171 123.2862 52.7591 45.5273 175.8244 110 G 2.6217 8.3053 112.1178 44.2307 0.0000 172.7017 111 F 4.6740 8.5130 126.3085 56.2809 39.9567 176.4615 112 S 4.5779 8.9981 119.4986 58.4885 63.3104 174.1292 113 P 4.3764 0.0000 0.0000 65.7690 31.2285 177.5608 114 T 4.2732 7.8412 112.2063 64.2904 68.9178 175.2203 115 I 4.2171 8.0958 123.1999 62.9934 38.5555 177.8972 116 I 3.6898 8.0783 120.8240 64.2500 36.9070 177.3316 117 P 4.6032 0.0000 0.0000 62.8347 30.4283 176.8629 118 H 4.9789 9.0255 113.4101 54.9664 33.3172 175.3017 119 L 4.3097 7.5717 120.4031 57.3873 41.1643 178.2513 120 T 4.2831 7.7721 115.8726 65.4947 69.1302 176.0060 121 M 3.9624 8.0822 119.8272 59.0394 32.2621 178.7666 122 L 4.2475 8.6431 119.4430 58.1139 41.7436 178.7712 123 H 4.3036 7.7805 115.4857 58.6803 30.0936 176.5140 124 K 3.9574 9.1017 121.1666 58.0598 31.5290 178.7382 125 E 3.7635 6.5133 117.0247 59.5345 30.3780 179.0279 126 F 4.1442 8.3871 117.7202 60.5994 39.1142 177.0758 127 T 4.4804 8.6795 107.7874 62.6758 68.9494 176.0022 128 S 4.3251 8.1000 115.5644 59.7380 62.5909 173.3669 129 Y 4.5915 7.2722 115.6272 58.4378 38.7142 175.7891 130 Q 4.4291 7.6931 119.6129 55.5692 29.5121 175.8971 131 L 4.7464 8.4797 119.1339 53.7879 44.4622 176.7140 132 K 4.1962 8.0985 121.4754 56.7744 32.6741 175.7754 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 8 Q 8.20 4.30 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 9 S 7.86 4.25 0.00 3.85 3.82 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 N 9.43 4.79 0.00 2.73 2.82 0.00 0.00 7.03 7.22 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 11 K 7.74 4.20 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.46 7.81 12 L 7.65 4.22 0.00 1.72 1.79 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.68 3.99 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.94 0.00 0.00 14 E 7.98 4.28 0.00 2.17 2.19 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 2.42 2.37 0.00 15 S 8.36 4.64 0.00 4.34 4.30 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 16 S 8.38 4.46 0.00 4.30 4.66 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 0.00 0.00 0.00 0.00 17 H 7.73 4.36 0.00 3.40 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.97 4.11 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 19 L 7.03 4.07 0.00 1.52 1.42 0.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.82 4.22 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 1.19 0.00 0.00 21 L 8.41 3.81 0.00 1.73 1.68 0.89 0.51 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 22 N 8.08 4.18 0.00 2.73 2.88 0.00 0.00 7.01 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 23 E 7.55 3.82 0.00 2.14 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 2.37 2.28 0.00 24 K 8.35 3.83 0.00 1.94 1.96 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.53 1.65 7.81 25 R 7.87 3.61 0.00 1.60 0.93 0.00 2.68 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 26 L 8.37 4.25 0.00 1.79 1.73 0.81 0.85 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 27 V 7.62 3.67 1.85 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 0.88 0.00 0.00 0.61 0.00 0.00 28 L 7.38 3.87 0.00 1.42 1.70 0.60 0.88 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 29 C 8.97 4.04 0.00 3.45 3.23 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 30 A 8.32 4.19 1.26 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 0.00 0.00 31 A 7.90 4.45 1.44 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 0.00 0.00 32 S 7.90 4.30 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.61 4.36 0.00 1.66 1.73 0.95 0.76 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 34 I 7.13 4.65 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.37 0.90 0.00 0.00 35 D 8.28 5.05 0.00 2.68 2.52 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 36 S 8.49 4.42 0.00 3.96 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 37 R 7.78 4.02 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 38 K 7.66 4.27 0.00 1.89 1.74 0.00 2.14 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 39 P 0.00 4.62 0.00 2.18 2.04 0.00 3.77 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 1.99 1.99 0.00 40 L 8.38 4.11 0.00 1.66 1.67 0.92 0.96 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 41 P 0.00 4.47 0.00 2.22 2.15 0.00 3.78 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 2.05 1.99 0.00 42 K 8.32 4.16 0.00 1.98 2.05 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.41 7.81 43 D 9.02 4.90 0.00 2.94 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 44 G 7.73 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 45 Y 8.34 5.11 0.00 2.89 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 46 L 8.84 4.88 0.00 1.68 1.56 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.69 4.98 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 1.29 0.00 0.00 48 I 8.70 4.62 1.78 0.00 0.00 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 1.28 0.78 0.69 0.00 0.00 49 R 8.58 4.76 0.00 2.30 2.08 0.00 2.99 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 50 A 8.46 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.14 4.48 0.00 3.00 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 52 T 9.95 4.01 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 53 F 8.09 4.51 0.00 3.32 3.29 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 54 A 8.14 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.05 3.83 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 56 V 7.20 3.54 1.57 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 -0.14 0.00 0.00 0.83 0.00 0.00 57 F 7.70 4.48 0.00 2.73 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 58 G 8.44 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 59 I 7.72 4.64 1.95 0.00 0.00 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 1.31 0.70 0.98 0.00 0.00 60 D 8.65 4.53 0.00 2.77 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 61 V 8.27 3.89 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 62 K 8.33 4.06 0.00 1.72 2.04 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.40 7.81 63 H 8.68 5.02 0.00 3.18 3.23 0.00 5.68 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 64 A 8.31 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.17 4.00 0.00 3.13 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 66 A 8.29 3.90 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 67 A 7.70 3.81 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.81 3.50 0.00 1.59 1.56 0.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.11 4.20 0.00 2.06 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.19 4.28 0.00 2.70 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 71 A 8.24 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.11 3.82 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 73 T 7.96 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 74 K 8.09 4.16 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.65 7.81 75 L 8.08 4.05 0.00 1.68 1.73 0.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.16 4.11 0.00 3.14 3.29 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 77 N 7.92 4.63 0.00 2.93 2.89 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.11 4.07 0.00 2.23 2.12 0.00 3.35 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.72 0.00 79 D 8.34 4.67 0.00 2.63 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 80 I 8.71 4.26 1.78 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.80 0.00 0.00 81 R 8.46 5.60 0.00 1.50 1.88 0.00 2.56 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.00 82 R 8.23 4.76 0.00 1.84 1.70 0.00 3.11 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 83 Y 8.69 5.22 0.00 2.82 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 84 V 8.45 4.19 2.10 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 0.95 0.00 0.00 0.95 0.00 0.00 85 K 9.65 4.08 0.00 1.93 1.87 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.43 7.81 86 G 8.61 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 87 K 7.61 4.73 0.00 1.84 1.72 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 88 V 8.22 3.84 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 0.61 0.00 0.00 0.67 0.00 0.00 89 V 7.87 4.34 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 0.73 0.00 0.00 0.97 0.00 0.00 90 E 7.53 4.62 0.00 1.97 1.64 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 2.17 2.24 0.00 91 R 8.41 5.06 0.00 1.62 1.80 0.00 3.25 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 92 M 8.44 4.62 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 93 R 8.23 4.80 0.00 1.65 1.80 0.00 3.18 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 94 W 8.92 4.04 0.00 3.34 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 95 V 7.49 4.89 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 -0.12 0.00 0.00 1.01 0.00 0.00 96 F 8.07 4.96 0.00 2.98 3.09 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 97 H 7.28 4.93 0.00 3.11 2.48 0.00 5.63 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 98 V 8.21 4.62 1.53 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 0.68 0.00 0.00 99 K 8.39 4.48 0.00 1.61 1.61 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.18 7.81 100 Y 8.80 4.65 0.00 2.86 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 0.00 101 R 8.21 4.55 0.00 2.01 1.82 0.00 3.13 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 102 E 8.03 2.70 0.00 1.61 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 2.14 1.68 0.00 103 G 8.03 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 0.00 104 Q 7.79 4.41 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 105 G 7.97 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 0.00 106 C 6.62 5.31 0.00 3.11 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 0.00 107 V 8.12 4.95 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 0.73 0.00 0.00 0.77 0.00 0.00 108 E 8.74 4.95 0.00 1.85 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 2.28 2.26 0.00 109 L 8.72 4.78 0.00 1.56 1.18 0.86 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.31 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 0.00 0.00 0.00 111 F 8.51 4.67 0.00 3.14 3.10 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 0.00 112 S 9.00 4.58 0.00 3.91 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 0.00 113 P 0.00 4.38 0.00 2.02 2.13 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 114 T 7.84 4.27 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 1.18 0.00 0.00 115 I 8.10 4.22 2.24 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 1.23 0.00 0.00 116 I 8.08 3.69 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.92 0.00 0.00 117 P 0.00 4.60 0.00 1.76 1.96 0.00 3.60 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 1.97 2.06 0.00 118 H 9.03 4.98 0.00 3.25 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.57 4.31 0.00 1.61 1.65 0.67 0.37 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 0.00 120 T 7.77 4.28 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 1.23 0.00 0.00 121 M 8.08 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 122 L 8.64 4.25 0.00 1.91 1.99 1.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 123 H 7.78 4.30 0.00 3.38 3.55 0.00 5.77 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 0.00 124 K 9.10 3.96 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 125 E 6.51 3.76 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 126 F 8.39 4.14 0.00 3.37 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 0.00 127 T 8.68 4.48 4.30 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 1.29 0.00 0.00 128 S 8.10 4.33 0.00 3.75 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 0.00 129 Y 7.27 4.59 0.00 3.05 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 0.00 130 Q 7.69 4.43 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 131 L 8.48 4.75 0.00 1.60 1.66 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.10 4.20 0.00 1.83 1.76 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.40 7.81