NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6187 8.1933 115.3739 57.7127 64.5263 174.5149 2 L 4.0157 8.6058 121.6021 56.9933 41.1506 178.4289 3 W 4.4130 8.6230 120.1003 60.1551 29.5062 178.0404 4 Q 4.1408 8.1123 117.5665 58.8306 28.0268 178.4097 5 F 4.6797 8.6824 122.1443 61.4423 39.4055 177.4487 6 G 3.6040 8.5500 105.4863 47.7924 0.0000 175.8396 7 K 4.1463 8.2724 121.1178 59.3280 31.9876 179.1452 8 M 4.2175 8.7685 118.8722 58.7919 32.2300 178.2726 9 I 3.6940 8.1482 120.3591 64.6268 37.2542 178.2169 10 N 4.7674 8.4327 117.2587 56.3946 38.0901 176.9547 11 Y 4.0723 7.9440 120.4266 60.5769 39.0416 177.4417 12 V 3.7662 8.0650 118.0688 65.0120 31.9245 176.9409 13 M 4.4173 8.4604 116.2976 53.7554 33.2558 176.4482 14 G 3.9714 7.7820 105.8662 44.3331 0.0000 174.0494 15 E 3.9561 8.7421 119.8139 59.5457 29.5810 178.2415 16 S 4.4541 8.0610 111.9446 59.2453 63.4592 176.1176 17 G 3.6833 8.5922 109.7511 47.6573 0.0000 176.4461 18 V 3.6745 8.4646 115.1476 64.4021 31.4171 178.4962 19 L 4.2829 7.9618 118.1315 58.1309 42.1394 178.1697 20 Q 3.9370 8.2361 119.1065 58.3910 29.0101 176.7860 21 Y 4.3399 8.0187 114.6216 57.3851 39.2344 176.1930 22 L 4.5857 7.8658 118.8235 54.1071 42.1835 176.2689 23 S 4.4375 7.5335 113.6687 56.6831 63.7445 171.9576 24 Y 4.9532 8.5332 128.2492 57.0765 42.4393 175.6580 25 G 3.6164 7.9791 115.6186 46.7351 0.0000 172.8719 26 C 4.5398 9.4775 115.3415 57.9375 40.9180 174.4018 27 Y 4.3545 8.6767 114.6038 57.1799 39.6693 174.7126 28 C 4.7178 8.5281 119.6435 57.1968 41.3744 170.5210 29 G 3.9952 8.4280 111.7311 44.2867 0.0000 172.5899 30 L 4.7877 7.9497 122.4506 54.0209 45.6420 175.7409 31 G 3.8382 8.9023 107.3415 46.6035 0.0000 174.4797 32 G 3.6052 8.4457 107.8084 44.3803 0.0000 172.9722 33 Q 4.5212 7.2404 115.9921 55.2648 32.5549 176.4283 34 G 3.9730 9.0512 105.4480 45.4395 0.0000 172.0559 35 Q 4.8833 8.8493 120.7168 53.2096 30.6097 173.9633 36 P 4.7103 0.0000 0.0000 63.2290 31.8974 176.7279 37 T 3.8472 8.6258 112.4117 64.0117 69.3588 173.6209 38 D 4.3630 7.1480 118.8596 51.4902 41.9709 175.6597 39 A 3.9959 8.4897 119.8483 55.7634 18.2830 179.7899 40 T 3.9844 8.0315 113.8206 67.0219 68.5458 176.1153 41 D 4.5898 8.9749 120.2115 57.4219 41.1423 178.2227 42 R 3.9679 8.3970 119.6468 59.4488 30.0300 177.7079 43 C 4.2680 8.3945 116.4929 60.4996 40.6354 175.6070 44 C 4.4388 8.3526 117.4656 59.7413 40.9219 175.8849 45 F 3.7609 8.6741 122.8674 61.3110 38.8758 177.3595 46 V 3.5019 8.1754 118.0147 66.1845 31.1760 177.4142 47 H 3.9123 8.2030 118.0392 59.0702 29.6490 176.7784 48 D 4.0543 8.1806 120.0045 57.6013 40.8850 177.6413 49 C 4.1635 7.6942 115.7091 59.8317 36.8992 175.1087 50 C 4.3359 8.2326 120.5246 59.9743 43.8187 175.1378 51 Y 4.1285 8.2584 118.7045 61.1648 37.2042 179.0294 52 G 3.6926 7.9058 105.4343 47.0718 0.0000 175.1061 53 K 4.4474 7.6768 118.7514 56.4166 32.4592 177.1191 54 V 3.9231 7.4309 120.1488 62.1243 30.6343 174.9673 55 T 4.3805 8.2724 117.7794 62.2958 70.2303 176.1867 56 G 3.7033 8.0284 109.6763 47.3356 0.0000 171.4297 57 C 4.6064 7.5529 112.3670 54.8427 42.8195 172.4771 58 N 4.7600 9.2468 119.3543 51.0255 38.6996 173.4462 59 P 4.0044 0.0000 0.0000 64.9741 31.9641 177.9214 60 K 4.1295 8.2950 120.9977 58.9307 32.3480 178.2759 61 I 4.1583 7.7556 116.9959 62.6600 38.5639 176.1200 62 D 4.6031 8.1637 119.3447 53.9151 41.3743 175.8638 63 S 4.5788 8.4709 118.9870 57.5679 63.9830 173.6699 64 Y 4.8240 7.9006 124.1252 55.6836 40.5202 174.1595 65 T 4.9795 8.5427 115.6845 62.2519 70.9094 173.3832 66 Y 5.4537 8.6291 123.2440 55.9117 41.2947 173.9572 67 S 4.6772 8.8056 114.9645 56.7879 66.2610 173.6840 68 K 5.0657 8.1804 120.2483 54.1028 34.5304 175.1702 69 K 4.5666 8.3857 125.0065 56.0550 35.4127 175.7089 70 N 4.3307 10.1730 122.0352 54.4235 36.1641 175.3414 71 G 3.5952 9.5050 105.1065 45.3274 0.0000 172.6506 72 D 5.0251 8.2572 118.0739 52.2891 44.6448 173.4397 73 V 5.6331 8.3374 119.4580 60.1875 33.8248 174.6750 74 V 4.4756 8.0463 125.0722 61.2779 34.0114 173.9303 75 C 4.8262 8.9455 125.3381 56.7822 41.1442 173.7325 76 G 3.8188 8.5298 109.9924 46.9175 0.0000 172.9769 77 G 4.2235 9.3591 106.8519 46.0759 0.0000 172.4453 78 D 4.8176 8.3713 115.3517 53.3973 41.9393 176.0331 79 N 4.8396 7.9962 118.7901 51.3119 40.4535 173.1086 80 P 4.2809 0.0000 0.0000 65.8142 31.5862 178.9392 81 C 4.2083 8.1107 117.9516 59.5459 44.7511 175.5386 82 K 3.9588 7.9943 119.6267 59.3438 31.6288 179.0882 83 K 3.8591 8.2438 119.9956 59.3338 32.0465 178.5729 84 Q 3.8784 8.2675 120.0901 59.1534 29.0036 178.3486 85 I 3.5195 7.6179 120.7257 64.5297 37.1945 177.4682 86 C 2.7801 7.8534 119.1380 59.3758 43.4909 175.5456 87 E 3.8430 8.2805 120.3777 59.3480 28.9476 178.5921 88 C 4.1666 8.0525 116.6811 60.1442 41.4905 176.0253 89 D 3.7318 7.7953 120.1153 57.0698 40.3658 178.7311 90 R 3.8135 8.2044 119.5246 59.3851 30.0187 178.4181 91 V 3.4636 7.8584 117.9624 66.1298 31.4082 177.7327 92 A 3.6133 7.7231 120.1548 55.4001 18.1493 179.7371 93 T 3.4713 7.8464 114.3918 66.8231 68.4268 177.0631 94 T 3.8843 7.9958 111.8435 64.7619 68.7447 175.9064 95 C 4.2153 8.1904 121.7182 59.3188 43.4148 175.3575 96 F 4.3834 7.8049 118.9370 60.7221 38.6722 177.2741 97 R 4.0291 8.0007 118.1052 59.6008 29.7019 178.0780 98 D 4.4609 8.2869 116.5616 56.3983 41.3379 176.4127 99 N 4.9776 7.6703 114.7781 52.6989 39.3935 176.3736 100 K 4.0779 8.0018 123.1938 59.3992 32.3115 178.3780 101 D 4.6051 8.1666 116.6820 55.0029 39.6175 176.5908 102 T 4.5143 7.8927 109.0048 61.1434 69.2426 173.6928 103 Y 3.9485 7.8056 123.8205 58.3499 39.1999 174.9858 104 D 4.7994 8.9130 126.1548 52.1394 43.6120 176.0491 105 I 3.8834 8.4706 126.9567 63.0222 38.3482 177.2245 106 K 3.7205 8.1565 121.1030 59.6912 32.0506 176.7238 107 Y 3.8884 7.5271 114.6425 57.3875 38.1477 174.9508 108 W 4.8076 8.0030 131.6658 58.4258 31.3959 175.8845 109 F 3.6681 8.3853 125.7925 57.5203 36.5448 175.9232 110 Y 4.2855 8.0084 122.1330 59.8354 39.5128 176.6400 111 G 3.8425 8.3331 106.6848 45.7350 0.0000 174.0563 112 A 3.9784 8.6195 125.0846 54.7693 18.1846 179.7383 113 K 4.2301 7.8224 116.8876 58.5404 32.7359 177.7787 114 N 4.6889 7.5811 116.3015 53.0918 38.8004 174.1938 115 C 5.4282 7.8377 117.1681 55.8406 40.1343 175.1114 116 Q 4.4090 8.1781 116.4812 56.3489 27.6904 175.9985 117 E 4.4288 7.7089 118.2780 54.1165 31.5354 175.0853 118 K 3.9249 8.4410 119.5452 57.2537 32.4352 175.8095 119 S 4.8358 8.4945 121.8458 57.8111 63.9087 173.5831 120 E 4.2302 8.7378 126.5014 55.7291 29.7436 174.8135 121 P 4.7836 0.0000 0.0000 61.9991 33.2124 176.9081 122 C 4.4873 8.6018 116.7987 57.4644 41.1567 173.8712 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 S 8.19 4.62 0.00 4.24 4.34 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 2 L 8.61 4.02 0.00 1.42 1.69 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.62 4.41 0.00 3.38 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 4 Q 8.11 4.14 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 5 F 8.68 4.68 0.00 3.31 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 6 G 8.55 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 0.00 0.00 0.00 7 K 8.27 4.15 0.00 2.17 2.08 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.87 1.76 7.81 8 M 8.77 4.22 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 9 I 8.15 3.69 1.91 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.12 0.91 0.00 0.00 10 N 8.43 4.77 0.00 2.94 2.96 0.00 0.00 6.69 7.08 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 11 Y 7.94 4.07 0.00 3.19 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 12 V 8.07 3.77 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 0.89 0.00 0.00 1.12 0.00 0.00 13 M 8.46 4.42 0.00 1.96 2.18 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 2.14 2.58 0.00 14 G 7.78 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 0.00 0.00 0.00 15 E 8.74 3.96 0.00 1.94 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 2.32 2.45 0.00 16 S 8.06 4.45 0.00 3.85 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 17 G 8.59 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 18 V 8.46 3.67 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 0.87 0.00 0.00 1.07 0.00 0.00 19 L 7.96 4.28 0.00 1.82 1.96 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.24 3.94 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.49 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 21 Y 8.02 4.34 0.00 2.89 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 22 L 7.87 4.59 0.00 1.74 1.67 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.53 4.44 0.00 3.01 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 24 Y 8.53 4.95 0.00 2.88 2.64 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 25 G 7.98 3.62 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 26 C 9.48 4.54 0.00 3.10 3.14 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 0.00 27 Y 8.68 4.35 0.00 3.36 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 28 C 8.53 4.72 0.00 3.42 3.39 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 29 G 8.43 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 0.00 0.00 0.00 30 L 7.95 4.79 0.00 1.62 1.56 1.09 0.65 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 31 G 8.90 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 32 G 8.45 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.24 4.52 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.09 2.51 0.00 34 G 9.05 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 0.00 0.00 0.00 35 Q 8.85 4.88 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 36 P 0.00 4.71 0.00 1.87 1.93 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.54 0.00 37 T 8.63 3.85 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 0.75 0.00 0.00 38 D 7.15 4.36 0.00 2.81 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 39 A 8.49 4.00 1.43 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 0.00 0.00 0.00 40 T 8.03 3.98 4.29 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 0.87 0.00 0.00 41 D 8.97 4.59 0.00 2.97 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 42 R 8.40 3.97 0.00 1.95 2.08 0.00 3.12 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 43 C 8.39 4.27 0.00 3.51 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 44 C 8.35 4.44 0.00 3.44 3.57 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 45 F 8.67 3.76 0.00 2.60 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 46 V 8.18 3.50 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 1.00 0.00 0.00 1.08 0.00 0.00 47 H 8.20 3.91 0.00 3.20 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.18 4.05 0.00 2.85 2.65 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 0.00 0.00 0.00 0.00 49 C 7.69 4.16 0.00 2.90 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 50 C 8.23 4.34 0.00 3.05 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 51 Y 8.26 4.13 0.00 3.07 2.87 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 52 G 7.91 3.69 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 0.00 0.00 0.00 53 K 7.68 4.45 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 V 7.43 3.92 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 0.72 0.00 0.00 0.85 0.00 0.00 55 T 8.27 4.38 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 1.24 0.00 0.00 56 G 8.03 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 57 C 7.55 4.61 0.00 3.25 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 58 N 9.25 4.76 0.00 2.65 2.86 0.00 0.00 7.40 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 59 P 0.00 4.00 0.00 0.49 1.50 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 60 K 8.29 4.13 0.00 1.86 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.45 7.81 61 I 7.76 4.16 1.88 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 1.54 1.03 0.97 0.00 0.00 62 D 8.16 4.60 0.00 2.77 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 63 S 8.47 4.58 0.00 3.85 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 64 Y 7.90 4.82 0.00 3.02 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 65 T 8.54 4.98 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 1.26 0.00 0.00 66 Y 8.63 5.45 0.00 3.10 2.93 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 67 S 8.81 4.68 0.00 3.87 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 68 K 8.18 5.07 0.00 1.10 0.74 0.00 1.28 0.00 0.00 2.47 0.00 0.00 2.51 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.90 1.18 7.81 69 K 8.39 4.57 0.00 1.73 1.62 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 70 N 10.17 4.33 0.00 2.91 2.88 0.00 0.00 7.15 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 71 G 9.51 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 0.00 0.00 0.00 72 D 8.26 5.03 0.00 2.78 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 73 V 8.34 5.63 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 0.85 0.00 0.00 1.13 0.00 0.00 74 V 8.05 4.48 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 0.95 0.00 0.00 0.97 0.00 0.00 75 C 8.95 4.83 0.00 3.00 2.92 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 76 G 8.53 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 0.00 0.00 0.00 77 G 9.36 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 0.00 0.00 0.00 0.00 78 D 8.37 4.82 0.00 2.64 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 79 N 8.00 4.84 0.00 2.77 2.70 0.00 0.00 6.86 7.71 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 80 P 0.00 4.28 0.00 2.29 2.28 0.00 3.75 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 2.06 2.01 0.00 81 C 8.11 4.21 0.00 3.00 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 82 K 7.99 3.96 0.00 2.03 1.97 0.00 1.88 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.63 7.81 83 K 8.24 3.86 0.00 1.91 1.89 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.41 7.81 84 Q 8.27 3.88 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 85 I 7.62 3.52 2.09 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 1.20 0.92 0.95 0.00 0.00 86 C 7.85 2.78 0.00 1.90 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 87 E 8.28 3.84 0.00 2.08 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 2.30 2.43 0.00 88 C 8.05 4.17 0.00 3.22 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 89 D 7.80 3.73 0.00 2.71 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 90 R 8.20 3.81 0.00 1.80 1.83 0.00 3.30 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 91 V 7.86 3.46 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 0.97 0.00 0.00 0.89 0.00 0.00 92 A 7.72 3.61 1.07 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 93 T 7.85 3.47 4.37 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 1.23 0.00 0.00 94 T 8.00 3.88 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 1.23 0.00 0.00 95 C 8.19 4.22 0.00 3.00 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 96 F 7.80 4.38 0.00 2.79 2.31 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 97 R 8.00 4.03 0.00 1.92 2.06 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 98 D 8.29 4.46 0.00 2.82 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 99 N 7.67 4.98 0.00 2.99 2.86 0.00 0.00 6.50 8.39 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 0.00 100 K 8.00 4.08 0.00 1.98 1.84 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.54 7.81 101 D 8.17 4.61 0.00 2.85 2.81 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 0.00 102 T 7.89 4.51 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 1.26 0.00 0.00 103 Y 7.81 3.95 0.00 2.97 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 0.00 104 D 8.91 4.80 0.00 2.68 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 0.00 0.00 0.00 0.00 105 I 8.47 3.88 1.94 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 1.56 1.33 0.94 0.00 0.00 106 K 8.16 3.72 0.00 1.47 1.53 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 1.09 7.81 107 Y 7.53 3.89 0.00 1.62 1.68 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 0.00 108 W 8.00 4.81 0.00 3.36 3.37 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 0.00 109 F 8.39 3.67 0.00 2.71 2.89 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 0.00 0.00 0.00 0.00 110 Y 8.01 4.29 0.00 2.85 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 0.00 111 G 8.33 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 0.00 112 A 8.62 3.98 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 0.00 113 K 7.82 4.23 0.00 1.85 1.89 0.00 1.11 0.00 0.00 2.29 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.25 7.81 114 N 7.58 4.69 0.00 2.01 1.95 0.00 0.00 6.73 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 0.00 115 C 7.84 5.43 0.00 2.99 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 0.00 116 Q 8.18 4.41 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 117 E 7.71 4.43 0.00 2.09 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 0.00 2.27 2.40 0.00 118 K 8.44 3.92 0.00 1.73 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 119 S 8.49 4.84 0.00 3.90 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 0.00 120 E 8.74 4.23 0.00 1.90 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 2.29 2.18 0.00 121 P 0.00 4.78 0.00 2.17 2.08 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 122 C 8.60 4.49 0.00 2.93 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