NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8114 8.3544 109.7231 44.9363 0.0000 173.8550 4 D 4.0736 8.6971 124.4433 53.8555 42.0783 175.0992 5 K 3.8028 9.7258 129.2387 60.0647 32.5113 178.1475 6 K 4.0000 8.7440 118.6067 58.9180 32.0194 179.4012 7 V 3.6803 7.8748 118.2325 66.3875 31.4722 178.0858 8 I 3.9241 7.6447 118.7501 64.3294 36.7901 178.5922 9 Q 3.9684 7.9700 118.9978 59.1803 28.5699 178.2254 10 H 4.1384 8.5892 117.6010 58.9933 28.6810 177.8873 11 L 4.0573 8.5512 121.0190 57.9076 41.4161 179.3610 12 N 4.3500 8.3883 116.5346 55.9056 38.3891 177.4642 13 K 3.9143 8.1719 121.2671 59.4763 32.2701 178.7479 14 I 3.6579 7.7976 120.0416 64.5282 37.1107 177.7869 15 L 3.9968 8.2748 121.4348 58.5485 41.5455 179.3508 16 G 3.6332 8.1995 105.2949 47.8679 0.0000 175.4884 17 N 4.3715 7.9747 118.3521 56.1643 38.5070 177.3024 18 E 3.9615 8.4358 120.1841 59.4351 29.3550 179.5651 19 L 3.9403 7.7940 118.9782 57.6675 41.6003 179.5161 20 I 3.5933 7.4340 119.4244 64.2487 37.0375 178.0902 21 A 3.2090 7.9847 121.4435 55.2591 18.1167 179.5289 22 I 3.5489 7.7149 118.0437 64.9724 37.2575 178.2245 23 N 4.3769 7.9335 116.9482 56.0502 38.2598 177.5562 24 Q 3.8250 8.0796 121.3361 59.4662 29.1618 177.8529 25 Y 4.6966 8.1995 119.4426 60.5689 38.0433 178.1046 26 F 3.7813 8.5192 121.7388 61.1642 39.4509 176.9698 27 L 3.9748 8.1441 119.7124 58.6230 41.8894 178.5437 28 H 3.8108 8.2918 116.3195 58.6888 28.5676 177.5441 29 S 4.3081 8.3832 115.2040 61.8312 62.1790 176.7045 30 R 3.9179 7.6857 119.7151 58.8815 29.6981 179.1562 31 M 3.4383 7.5334 118.9989 57.9485 31.8078 178.6734 32 W 4.4714 7.8636 119.1920 59.7707 29.1112 178.3602 33 N 4.3580 8.3205 116.4520 56.4849 37.8237 176.7127 34 D 4.3186 7.9597 118.2373 57.3246 41.3033 177.9799 35 W 4.7960 7.9331 117.0299 57.5693 29.3364 177.2340 36 G 4.0144 8.6120 108.1945 45.6433 0.0000 173.9614 37 L 4.9295 8.1628 121.7889 53.2988 40.4941 177.5046 38 K 4.0909 8.3269 121.7026 58.8484 32.4435 179.1046 39 R 3.8902 7.7775 119.3951 59.3135 29.9235 178.5182 40 L 3.8943 7.7573 118.5496 57.5139 41.5748 179.4579 41 G 3.7852 8.3763 105.6436 47.9058 0.0000 175.6240 42 A 4.1045 8.2852 123.2293 54.9851 18.5479 179.2394 43 H 4.1477 8.2313 116.9941 59.2039 29.6517 177.1637 44 E 4.0343 8.6855 121.6977 59.1870 29.5174 178.0201 45 Y 3.9949 8.0469 119.7667 61.0719 38.8093 177.8838 46 H 4.1095 7.9616 116.7599 58.3726 28.6764 177.6539 47 E 3.8196 7.8345 120.5687 59.2552 29.2165 179.1763 48 S 4.2956 8.2960 113.3365 61.5731 62.4753 176.3384 49 I 3.6482 7.4827 122.4537 64.4154 36.7608 178.1654 50 D 4.3030 8.0707 119.7613 57.2631 40.5599 178.6408 51 E 4.1190 8.0437 118.9730 59.3096 29.5272 178.8978 52 M 4.0388 8.0472 118.8991 58.4575 31.9786 178.9563 53 K 4.0473 7.9216 118.5630 59.4669 32.1978 179.2506 54 H 4.2694 7.9994 116.0702 58.7287 28.5630 177.3474 55 A 4.0028 8.0920 122.6665 55.3945 18.1276 179.2318 56 D 4.2304 8.0610 116.1190 57.6040 41.3619 178.6189 57 K 4.0184 8.1781 118.9330 59.2989 31.9753 179.4928 58 L 3.9852 8.4517 119.7225 57.9328 41.7627 179.3209 59 I 3.7315 8.0014 120.0062 64.6022 37.0350 178.3618 60 E 4.0099 8.2537 119.2587 59.3397 29.3283 179.3579 61 R 3.9986 7.8724 118.3451 59.4273 30.1840 178.4398 62 I 3.7176 7.8826 119.5198 64.6844 37.1518 178.3872 63 L 4.0409 7.8433 119.0702 57.8673 41.1709 179.5189 64 F 4.3300 8.1555 119.9547 60.6609 39.3405 176.1837 65 L 4.1511 7.6554 116.3799 53.8832 41.5474 176.4068 66 E 3.6728 7.5989 116.5468 57.3667 27.1728 174.7196 67 G 3.9305 7.8220 108.5990 44.1599 0.0000 173.5080 68 L 4.5826 8.0053 118.9197 51.9548 42.6636 175.2004 69 P 4.3795 0.0000 0.0000 62.5431 31.7781 176.0535 70 N 4.7088 9.0282 121.9745 52.3928 38.5393 173.6854 71 L 4.5931 8.2621 123.8046 54.5069 42.3051 177.5960 72 Q 4.0469 8.4977 122.2023 58.2562 29.2996 175.7807 73 D 4.5215 8.1385 118.7291 53.1980 40.6358 175.3350 74 L 4.4585 8.2685 127.1490 52.8955 43.1592 177.2811 75 G 3.8194 8.3419 116.3095 45.1199 0.0000 171.1630 76 K 4.2583 8.3375 120.7065 55.1072 32.9489 177.0925 77 L 4.1687 8.4051 126.7453 54.6592 42.1838 177.5128 78 L 4.4662 8.3942 125.0052 53.4037 40.4001 174.6916 79 I 4.2004 7.8948 122.5245 60.0605 38.3233 176.3241 80 G 4.0905 8.6207 114.2631 44.2905 0.0000 172.7425 81 E 4.7694 8.4677 114.2228 55.6410 30.8717 175.8655 82 N 5.0484 7.7135 116.7413 50.4458 41.8879 174.8731 83 T 4.4485 8.7173 117.6157 67.3194 68.5943 176.2202 84 Q 3.9657 8.2715 120.4762 59.4944 29.0936 178.2469 85 E 4.0504 8.5284 119.4617 59.5190 29.4586 179.3246 86 M 3.9784 8.3594 118.9088 58.3812 32.0259 178.7421 87 L 4.1835 8.3238 119.2325 58.0150 41.8203 179.4584 88 Q 4.0305 8.2195 119.4426 59.2895 28.9633 178.0419 89 C 4.2415 8.7118 118.3489 62.9149 28.1693 175.7509 90 D 4.6891 8.4654 120.5538 57.2908 40.4184 178.6685 91 L 3.9453 8.0749 120.8093 58.2583 42.1582 178.5993 92 N 4.3385 8.2966 116.4656 56.4771 38.5301 177.1107 93 L 4.0341 8.1144 121.5069 58.1871 42.1025 178.7598 94 E 4.2060 8.2748 118.4287 58.8156 29.3521 179.1229 95 L 4.0171 8.1327 119.4761 57.5041 41.7561 179.2665 96 K 3.9347 8.1314 119.4456 59.4473 32.2708 178.6812 97 A 4.0307 8.1725 121.0374 55.6328 18.3536 179.8111 98 T 3.9403 8.2358 114.0812 66.0947 68.4321 176.9021 99 K 4.0192 7.7507 121.9314 59.2987 32.2861 178.5204 100 D 4.4003 8.0475 119.0673 57.1858 40.7561 178.5099 101 L 3.9776 7.8161 119.1947 58.0380 41.6982 179.6809 102 R 3.9275 7.7610 117.0632 59.6251 29.9565 179.0435 103 E 3.9825 8.3207 117.8174 59.3830 29.4991 179.3456 104 A 3.7003 8.3217 121.0645 54.6204 18.3797 179.7327 105 I 3.7640 7.4740 118.2407 64.0884 37.3571 178.2234 106 V 3.5859 7.6671 119.2683 66.4997 31.2771 177.6085 107 H 4.0965 7.8642 117.5071 59.4879 29.7475 176.6694 108 C 3.8905 7.8682 118.3515 63.0412 27.9802 175.9733 109 E 3.9103 8.2585 120.5072 59.2624 29.0267 178.5594 110 Q 3.9730 7.8581 118.5031 58.8550 29.1674 177.7782 111 V 3.9161 7.2980 110.1395 60.4651 31.8110 175.5520 112 H 2.9621 7.4877 114.3502 57.0067 26.8849 176.2264 113 D 4.5493 7.7723 119.9773 53.3715 38.1506 175.3637 114 Y 4.3391 7.5058 121.2311 60.3763 38.4349 177.6404 115 V 3.7939 7.8038 118.9114 65.6180 31.8488 178.0581 116 S 4.1574 8.2642 114.7372 61.4642 62.6414 176.4521 117 R 3.8870 8.0175 121.4564 59.5133 29.7835 178.0839 118 D 4.2858 8.0390 117.6074 57.1948 41.3771 177.5707 119 L 3.9338 7.9643 120.9089 58.5276 41.9565 179.1660 120 L 4.0018 7.8958 118.5191 57.6212 41.6181 179.3020 121 K 3.9890 8.5315 120.0472 59.5514 31.9291 178.5994 122 D 4.3600 8.3016 119.2590 57.4574 40.6999 178.7881 123 I 3.5258 7.6487 120.0837 63.9658 37.0239 178.2073 124 L 3.9155 8.2880 121.6639 58.2755 41.9325 178.5682 125 E 3.9449 8.1685 119.1858 59.5457 29.6317 178.7726 126 S 4.1676 7.8498 113.1033 61.1461 62.3425 175.9672 127 E 4.1648 8.4469 121.7981 59.1762 29.1753 179.0779 128 E 3.9905 8.4158 118.8285 59.4225 29.6843 178.8835 129 E 4.0133 8.4065 118.8054 60.0888 29.6947 179.1282 130 H 4.4781 8.2345 117.4548 59.1049 29.8170 177.3850 131 I 3.7707 8.1388 122.3004 63.9787 36.7614 177.8964 132 D 4.2687 8.2707 119.1088 57.4869 41.0828 177.1693 133 Y 4.1812 7.8795 119.6777 61.0064 38.6920 178.1081 134 L 3.7754 7.8961 118.9922 58.0067 41.8087 179.5181 135 E 3.8841 8.3775 118.3825 59.6704 29.4322 179.3941 136 T 3.7944 8.1024 116.0695 66.9620 68.3345 176.5736 137 Q 3.8837 7.6696 118.3497 58.7631 28.7987 178.4849 138 L 4.0152 7.7321 120.1429 57.7872 41.7914 179.9061 139 G 3.5480 8.6062 105.8479 47.6868 0.0000 175.6699 140 L 4.1384 8.2766 121.2243 57.2295 41.5874 179.5076 141 I 3.6570 7.1993 120.3525 64.1520 36.7739 178.3108 142 Q 3.9704 7.8139 117.7258 58.7623 28.6671 178.4774 143 K 4.1561 7.7068 118.1912 58.8394 32.3371 178.9890 144 V 4.2254 7.9981 109.1702 59.6961 32.8283 176.1947 145 G 4.1175 7.9622 107.6133 45.9144 0.0000 174.3473 146 L 3.9375 8.5623 123.5522 58.3508 42.0561 179.4338 147 E 3.9953 8.1722 117.7439 59.4728 29.3346 179.1292 148 N 4.3215 8.0947 116.0284 56.3168 38.5328 176.5451 149 Y 4.0118 7.9058 119.6700 60.7755 39.1125 177.8591 150 L 4.1168 8.4089 120.1237 57.8782 41.6284 179.0523 151 Q 3.9298 8.1502 119.5052 59.5427 28.7424 178.4743 152 S 4.4081 7.9698 112.2579 59.7210 62.8340 174.2252 153 H 4.7364 7.9137 119.3459 55.7633 29.6521 176.0437 154 M 4.2949 7.9106 120.7716 58.0205 31.9314 176.5925 155 H 4.8786 7.5678 113.3780 54.3680 30.8356 175.0875 156 E 4.1970 8.5539 119.5226 56.7640 29.4695 176.6202 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 3 G 8.35 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 0.00 0.00 0.00 4 D 8.70 4.07 0.00 2.81 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 5 K 9.73 3.80 0.00 1.84 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 6 K 8.74 4.00 0.00 1.95 1.65 0.00 1.73 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 7 V 7.87 3.68 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 1.00 0.00 0.00 0.97 0.00 0.00 8 I 7.64 3.92 2.02 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 1.53 0.64 0.91 0.00 0.00 9 Q 7.97 3.97 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 10 H 8.59 4.14 0.00 3.37 3.34 0.00 5.62 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 11 L 8.55 4.06 0.00 1.79 1.74 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.39 4.35 0.00 2.98 2.86 0.00 0.00 6.65 7.37 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 13 K 8.17 3.91 0.00 1.88 2.02 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.80 3.66 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.76 0.93 0.00 0.00 15 L 8.27 4.00 0.00 1.83 1.91 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 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 0.00 0.00 0.00 17 N 7.97 4.37 0.00 2.88 2.88 0.00 0.00 7.00 8.56 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 18 E 8.44 3.96 0.00 2.12 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 2.51 2.54 0.00 19 L 7.79 3.94 0.00 1.84 1.67 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.43 3.59 1.94 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 1.41 0.89 0.89 0.00 0.00 21 A 7.98 3.21 0.96 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 0.00 0.00 22 I 7.71 3.55 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.87 0.00 0.00 23 N 7.93 4.38 0.00 2.70 2.83 0.00 0.00 6.78 8.40 0.00 0.00 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 Q 8.08 3.83 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 25 Y 8.20 4.70 0.00 3.00 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 26 F 8.52 3.78 0.00 3.32 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 27 L 8.14 3.97 0.00 1.91 1.75 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.29 3.81 0.00 3.40 2.72 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.31 0.00 3.96 3.80 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 30 R 7.69 3.92 0.00 1.89 1.87 0.00 2.98 0.00 0.00 2.78 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 31 M 7.53 3.44 0.00 0.86 1.60 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.07 0.00 32 W 7.86 4.47 0.00 3.63 3.36 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 33 N 8.32 4.36 0.00 2.87 2.85 0.00 0.00 6.62 7.42 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 34 D 7.96 4.32 0.00 2.54 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 35 W 7.93 4.80 0.00 3.77 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 36 G 8.61 4.01 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 0.00 37 L 8.16 4.93 0.00 1.99 1.62 1.24 1.23 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 38 K 8.33 4.09 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 39 R 7.78 3.89 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.76 3.89 0.00 1.37 0.35 0.27 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.38 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 0.00 0.00 0.00 42 A 8.29 4.10 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 43 H 8.23 4.15 0.00 3.32 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.69 4.03 0.00 2.64 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 2.75 2.67 0.00 45 Y 8.05 3.99 0.00 3.07 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 H 7.96 4.11 0.00 3.24 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.83 3.82 0.00 2.03 1.61 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 2.14 2.17 0.00 48 S 8.30 4.30 0.00 4.13 4.02 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 49 I 7.48 3.65 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.01 0.83 0.00 0.00 50 D 8.07 4.30 0.00 2.80 2.61 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 51 E 8.04 4.12 0.00 2.13 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 2.60 2.74 0.00 52 M 8.05 4.04 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 7.92 4.05 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 54 H 8.00 4.27 0.00 3.33 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.09 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.23 0.00 2.94 2.84 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 57 K 8.18 4.02 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 58 L 8.45 3.99 0.00 1.88 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 3.73 2.01 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 1.53 1.09 0.92 0.00 0.00 60 E 8.25 4.01 0.00 2.18 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 2.34 2.47 0.00 61 R 7.87 4.00 0.00 2.06 2.14 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.88 3.72 2.03 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 1.54 0.92 0.94 0.00 0.00 63 L 7.84 4.04 0.00 2.09 1.78 0.93 0.90 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 64 F 8.16 4.33 0.00 3.01 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 65 L 7.66 4.15 0.00 1.78 1.62 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.60 3.67 0.00 2.00 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 2.16 2.12 0.00 67 G 7.82 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 0.00 0.00 0.00 68 L 8.01 4.58 0.00 1.61 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.03 4.71 0.00 2.64 2.81 0.00 0.00 7.10 8.57 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 71 L 8.26 4.59 0.00 1.62 1.63 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.50 4.05 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.14 4.52 0.00 2.69 2.61 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 74 L 8.27 4.46 0.00 1.54 1.54 0.88 1.06 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 75 G 8.34 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 76 K 8.34 4.26 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 L 8.41 4.17 0.00 1.64 1.56 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.39 4.47 0.00 1.81 1.67 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.89 4.20 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.92 0.00 0.00 80 G 8.62 4.09 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 0.00 81 E 8.47 4.77 0.00 2.16 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 2.36 2.23 0.00 82 N 7.71 5.05 0.00 2.88 2.84 0.00 0.00 6.22 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 83 T 8.72 4.45 4.44 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 1.46 0.00 0.00 84 Q 8.27 3.97 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.53 4.05 0.00 2.27 2.02 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 2.35 2.37 0.00 86 M 8.36 3.98 0.00 1.45 2.24 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.03 0.00 87 L 8.32 4.18 0.00 1.88 1.74 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.22 4.03 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.71 4.24 0.00 3.30 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 90 D 8.47 4.69 0.00 3.08 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 91 L 8.07 3.95 0.00 1.87 1.88 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.30 4.34 0.00 2.97 2.90 0.00 0.00 6.72 6.33 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 93 L 8.11 4.03 0.00 1.97 1.97 0.93 0.91 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 94 E 8.27 4.21 0.00 2.23 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 0.00 2.68 2.49 0.00 95 L 8.13 4.02 0.00 1.72 1.73 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.13 3.93 0.00 1.91 2.06 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.17 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.94 4.59 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 1.26 0.00 0.00 99 K 7.75 4.02 0.00 1.88 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 100 D 8.05 4.40 0.00 2.78 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 0.00 101 L 7.82 3.98 0.00 2.05 1.74 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.76 3.93 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 103 E 8.32 3.98 0.00 2.19 2.02 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 2.35 2.34 0.00 104 A 8.32 3.70 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 0.00 105 I 7.47 3.76 2.01 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 1.42 0.95 0.93 0.00 0.00 106 V 7.67 3.59 2.25 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 1.01 0.00 0.00 0.97 0.00 0.00 107 H 7.86 4.10 0.00 3.21 3.19 0.00 5.86 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 0.00 108 C 7.87 3.89 0.00 3.20 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 0.00 109 E 8.26 3.91 0.00 2.14 2.13 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 2.37 2.44 0.00 110 Q 7.86 3.97 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 111 V 7.30 3.92 1.94 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 0.62 0.00 0.00 0.85 0.00 0.00 112 H 7.49 2.96 0.00 3.12 3.04 0.00 5.66 0.00 0.00 0.00 0.00 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.77 4.55 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.51 4.34 0.00 3.07 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 0.00 115 V 7.80 3.79 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.26 4.16 0.00 4.13 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 0.00 117 R 8.02 3.89 0.00 1.93 2.20 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 8.04 4.29 0.00 3.05 2.66 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 0.00 119 L 7.96 3.93 0.00 1.94 1.87 0.99 0.54 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 0.00 120 L 7.90 4.00 0.00 1.94 1.70 0.93 0.86 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 0.00 121 K 8.53 3.99 0.00 1.88 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.30 4.36 0.00 2.94 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 0.00 123 I 7.65 3.53 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.73 0.00 0.00 124 L 8.29 3.92 0.00 1.86 1.89 0.94 0.75 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 0.00 125 E 8.17 3.94 0.00 2.10 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 0.00 2.33 2.34 0.00 126 S 7.85 4.17 0.00 3.95 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 0.00 127 E 8.45 4.16 0.00 2.18 2.23 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 2.65 2.55 0.00 128 E 8.42 3.99 0.00 2.18 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 2.36 2.38 0.00 129 E 8.41 4.01 0.00 2.24 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 2.37 2.37 0.00 130 H 8.23 4.48 0.00 3.28 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.14 3.77 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.93 0.00 0.00 132 D 8.27 4.27 0.00 2.97 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 0.00 133 Y 7.88 4.18 0.00 3.19 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 0.00 134 L 7.90 3.78 0.00 2.09 1.68 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.88 0.00 1.97 1.97 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 2.31 2.51 0.00 136 T 8.10 3.79 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 1.19 0.00 0.00 137 Q 7.67 3.88 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 138 L 7.73 4.02 0.00 1.80 1.62 0.82 1.01 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 0.00 139 G 8.61 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.28 4.14 0.00 1.88 1.86 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.20 3.66 1.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.22 0.79 0.00 0.00 142 Q 7.81 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 143 K 7.71 4.16 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 144 V 8.00 4.23 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 0.83 0.00 0.00 1.08 0.00 0.00 145 G 7.96 4.12 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 0.00 0.00 0.00 146 L 8.56 3.94 0.00 1.75 1.68 0.94 0.95 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 0.00 147 E 8.17 4.00 0.00 2.06 1.99 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 2.40 2.41 0.00 148 N 8.09 4.32 0.00 3.10 2.88 0.00 0.00 6.76 7.48 0.00 0.00 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 Y 7.91 4.01 0.00 2.94 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 0.00 150 L 8.41 4.12 0.00 1.92 1.74 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.15 3.93 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 S 7.97 4.41 0.00 3.91 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 0.00 153 H 7.91 4.74 0.00 2.92 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.91 4.29 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 155 H 7.57 4.88 0.00 3.10 3.18 0.00 5.71 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 0.00 156 E 8.55 4.20 0.00 1.95 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 0.00 2.28 2.29 0.00