NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8301 8.0544 120.2934 61.5620 32.6873 174.1816 2 H 4.5716 8.3068 122.9501 53.3682 32.0564 171.1999 3 W 4.8790 8.0969 126.4383 54.7980 31.9390 176.2202 4 S 4.4777 9.3747 119.1419 57.5454 64.8906 175.0638 5 A 3.9834 8.5648 124.3034 55.5800 18.0177 179.9248 6 E 3.9313 8.1336 116.3005 59.6367 29.6541 179.2776 7 E 4.0079 8.3008 118.4968 59.4130 29.4956 179.5206 8 K 3.7273 8.2752 118.6265 59.4053 32.0993 179.1689 9 Q 3.9271 8.1543 119.6746 59.2633 28.6390 178.2384 10 L 4.0563 8.0623 120.0123 57.8122 41.6077 179.7275 11 I 3.6778 7.6200 119.6520 64.6082 37.1225 178.6173 12 T 4.0652 8.1329 117.0978 66.3988 67.7293 177.0892 13 S 4.1885 8.3125 116.3031 61.6391 63.0908 176.6304 14 I 3.4427 7.6139 123.4857 63.4081 36.6008 178.1033 15 W 4.5021 8.5303 128.1905 60.7365 30.6899 177.6579 16 G 3.8473 8.1129 104.0811 47.6514 0.0000 174.8724 17 K 4.3493 7.5829 117.4988 56.0598 33.0865 177.7486 18 V 3.6143 7.1742 119.5240 61.1538 31.9300 176.5360 19 N 4.3378 8.2787 121.2369 53.1616 38.6051 175.6208 20 V 3.4404 7.9703 127.7636 65.6344 31.8350 177.3512 21 A 3.9696 7.8659 119.9658 55.4036 18.3705 179.2412 22 D 4.2676 8.4345 117.3800 57.6440 40.9622 178.8897 23 C 4.2226 8.3560 117.5839 62.2931 28.0865 176.4480 24 G 3.5828 8.2627 107.5059 47.6581 0.0000 175.6805 25 A 4.0028 7.9412 123.4333 54.7995 18.3361 179.3335 26 E 3.8023 8.2942 117.5856 59.2939 29.6851 178.9128 27 A 3.9448 8.1153 120.8649 55.0701 18.4595 179.4349 28 L 3.8681 7.9353 118.5769 58.1247 42.2158 178.8697 29 A 3.9259 8.0927 120.8031 55.4221 18.3553 179.8724 30 R 3.8092 8.1519 116.5924 59.0337 30.0585 178.8616 31 L 4.0240 8.0610 120.2891 58.5088 41.9660 179.2610 32 L 4.0998 7.7910 119.8343 56.7142 41.2577 179.5163 33 I 3.7672 7.4720 119.1851 64.1142 37.4332 178.1616 34 V 3.5626 7.8613 117.9861 64.2758 32.7933 175.6461 35 Y 4.2202 7.2508 116.2024 54.5239 37.9288 174.1150 36 P 4.6432 0.0000 0.0000 64.0917 31.9449 178.4167 37 W 4.3919 8.2441 116.9039 59.6265 27.3912 177.9694 38 T 4.3658 7.4781 110.6035 64.5862 68.0897 176.2856 39 Q 4.2248 8.1080 121.3719 58.9216 28.4040 178.4483 40 R 3.8336 7.8315 119.2128 59.5166 30.0435 177.9649 41 F 4.2974 7.8315 114.8773 58.4579 39.2502 175.9361 42 F 4.4673 7.8794 118.4027 56.8017 39.4222 177.5999 43 S 4.2640 8.1281 117.1150 60.9808 62.9431 175.0555 44 S 4.4736 8.0170 115.4429 59.9438 62.8965 174.5823 45 F 4.6927 8.4106 118.6477 57.9597 40.0047 176.6039 46 G 3.9900 7.9699 107.6426 44.9704 0.0000 175.7036 47 N 4.5696 8.7191 127.1824 53.3388 38.2873 174.1637 48 L 4.8437 8.3793 127.1731 54.6348 42.7186 177.5914 49 S 4.5542 8.3052 112.7321 58.9140 63.8013 174.1281 50 S 4.6079 7.4725 115.1603 56.0663 66.6869 174.6039 51 A 3.9683 8.5568 124.4684 55.7353 18.1122 180.1691 52 T 3.7550 7.8804 113.3167 66.7471 68.3939 176.5062 53 A 4.0043 7.9668 121.3655 55.1654 18.8097 179.4431 54 I 3.8091 8.1534 118.6357 64.8532 37.0335 178.9925 55 S 4.2677 8.1729 114.6508 60.9290 62.7123 176.0635 56 G 3.9939 7.8515 105.7500 43.6391 0.0000 173.1902 57 N 4.5074 7.5970 121.7232 52.4247 39.4682 173.9656 58 P 4.2428 0.0000 0.0000 65.9326 31.3051 178.3375 59 N 3.9894 8.0498 115.9765 55.8035 38.3261 177.2447 60 V 3.6978 8.0446 119.6139 66.0543 31.5223 178.1789 61 K 3.9088 8.1647 117.9479 59.5196 31.7628 179.2690 62 A 3.9965 8.0929 121.0065 55.3560 18.3295 179.2185 63 H 4.3193 8.6726 117.3290 59.2207 29.9759 177.6064 64 G 3.7373 8.5123 108.0592 47.7162 0.0000 175.4565 65 K 3.9936 7.8994 121.9286 59.2982 32.2566 178.9305 66 K 3.9843 7.8652 118.7822 59.4804 31.9651 179.5174 67 V 3.6445 7.9017 118.3932 66.0681 31.5024 177.9671 68 L 4.4550 8.2385 120.1314 58.4122 41.6965 178.8208 69 T 4.2440 8.1431 115.3193 66.8443 68.6951 176.0439 70 S 4.4575 8.2305 116.1850 60.9780 62.4458 176.0236 71 F 4.3032 8.4885 120.6438 60.7187 38.6457 177.6718 72 G 2.2993 8.1257 105.2341 47.6180 0.0000 175.3801 73 D 4.2360 7.9122 120.5370 56.7141 40.5504 178.8323 74 A 4.0746 7.8089 121.0991 55.1521 18.3445 179.3196 75 V 3.1744 7.0873 115.3966 66.3117 31.5136 178.2149 76 K 4.2658 7.5346 116.1755 57.7682 32.8466 177.0903 77 N 4.7539 7.6360 117.8342 51.9420 39.5830 174.3605 78 L 3.9223 8.0269 124.1335 56.6089 42.0174 177.8526 79 D 4.9267 7.6177 116.1280 54.2396 41.1424 176.0001 80 N 5.0763 8.0875 117.7542 52.8464 40.0542 176.2516 81 I 3.8881 8.1405 120.1907 63.7450 36.8754 177.5946 82 K 4.0379 8.2147 119.2212 59.6761 32.3136 178.5606 83 G 3.7011 8.0362 105.2624 48.1641 0.0000 175.4794 84 T 3.7069 7.7267 117.1711 65.5876 68.5646 175.6030 85 F 4.5009 7.7488 116.3831 56.9547 39.4500 177.4310 86 A 3.9713 7.6881 122.7171 55.4957 18.3123 180.3736 87 Q 3.9372 7.9133 116.0151 59.1084 28.8383 178.8152 88 L 4.0819 7.8434 119.4936 57.6359 41.6712 179.3760 89 S 4.1319 8.3384 113.7546 61.2280 62.3179 175.9464 90 E 3.8907 8.0244 120.9810 59.2472 29.1770 178.8787 91 L 3.8906 7.7374 119.9512 58.8603 42.1018 178.9400 92 H 4.1980 8.5345 115.9082 58.3300 28.1649 177.3522 93 C 4.3174 8.1216 118.3745 62.2962 28.3219 175.8041 94 D 4.3662 7.9812 118.8896 56.4193 41.0226 178.0160 95 K 4.2376 7.9932 116.8044 58.0996 32.8912 177.5596 96 L 4.3518 7.8839 116.0324 54.5211 42.5781 176.1457 97 H 4.3028 7.8790 113.7307 55.5837 26.0254 175.2023 98 V 3.8177 8.0383 118.7605 61.6632 32.3747 174.9745 99 D 4.3671 8.5956 127.1353 53.4213 41.9184 175.1450 100 P 2.9700 0.0000 0.0000 64.8505 31.8282 178.1149 101 E 3.9345 8.4851 119.0275 59.2253 29.2810 178.4920 102 N 4.4915 8.1623 116.4507 55.8516 38.5463 177.3810 103 F 4.5241 7.6558 119.8027 60.4772 38.9739 177.4743 104 R 4.0089 8.1103 117.9411 59.4917 29.8996 178.4153 105 L 3.9491 7.8276 118.6963 57.7183 41.5118 179.2397 106 L 4.1746 8.3720 120.5604 58.0437 42.0500 179.1322 107 G 3.7636 8.4152 105.7086 48.0615 0.0000 175.3634 108 D 4.4648 8.3241 121.4890 57.0607 40.7760 178.8429 109 I 3.7058 8.0255 120.3630 64.4054 37.0900 178.0497 110 L 3.7967 8.2284 121.4133 58.1299 41.7397 179.0796 111 V 3.5355 7.8262 117.9693 66.1860 31.4385 178.0134 112 I 3.6119 7.6979 119.3459 64.3956 36.9343 178.4338 113 I 3.5712 7.8829 120.8089 64.3954 36.9589 178.4900 114 L 3.7862 7.8976 119.8526 57.4334 41.3116 179.3547 115 A 3.4623 7.2541 120.4890 55.0181 18.0819 179.5442 116 A 3.8868 7.6747 117.9305 55.5627 18.4781 179.0679 117 H 4.0323 7.9196 115.8919 58.5393 30.1020 176.6047 118 F 4.5378 8.3824 118.0102 56.8225 40.1499 177.1068 119 G 3.8485 8.6588 108.1867 46.3934 0.0000 176.6271 120 K 4.1415 8.7763 121.6582 58.6301 32.1602 177.7345 121 D 4.5167 7.8461 118.4736 56.4599 41.2247 177.0267 122 F 4.4483 8.1381 124.0801 56.8411 37.7440 175.0932 123 T 4.1613 7.3283 115.8861 60.4517 71.1769 173.4406 124 P 4.1844 0.0000 0.0000 65.8660 31.2681 178.8492 125 E 3.9216 8.0486 116.8905 59.3042 29.3703 178.7252 126 C 4.0063 7.8705 118.7817 62.4147 31.5572 175.2217 127 Q 3.6780 7.6502 121.1582 59.1210 28.5497 178.2042 128 A 4.0024 8.2121 121.6143 55.3287 18.4411 179.5292 129 A 4.0565 8.0645 119.1300 55.1951 18.4152 179.9731 130 W 4.0123 8.5593 117.6534 59.7091 29.1496 178.6713 131 Q 4.0943 8.8215 120.1969 58.9679 28.4723 177.9556 132 K 3.8556 8.3062 120.7937 59.5354 32.1505 178.3893 133 L 4.2371 8.1429 120.2886 58.5625 42.1010 179.4909 134 V 3.9756 8.2312 112.1425 64.2359 31.3991 178.9230 135 R 4.0311 8.1701 118.3900 59.0634 29.9720 178.9588 136 V 3.6230 8.0694 118.2050 65.9895 31.5509 178.1414 137 V 3.1187 7.9919 117.6968 65.9157 31.3054 177.8015 138 A 3.9207 8.0845 120.3907 55.4391 17.9807 179.0838 139 H 4.1717 8.2528 115.6708 59.4262 30.0235 177.1497 140 A 4.1421 7.9457 121.6715 54.9504 18.2538 179.2969 141 L 3.9786 7.8131 116.7244 56.3524 42.9882 178.5743 142 A 4.8388 7.7356 122.4669 50.9326 15.9841 175.6127 143 R 4.3338 7.2583 123.7349 57.0563 32.8908 178.7345 144 K 3.8212 7.0776 115.2107 57.9084 33.5136 176.0359 145 Y 4.0270 7.6829 116.1017 59.8349 36.3498 175.3146 146 H 4.6517 9.3447 124.5252 56.5569 29.2511 174.1480 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 V 8.05 3.83 1.88 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 0.90 0.00 0.00 0.06 0.00 0.00 2 H 8.31 4.57 0.00 3.06 3.08 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.10 4.88 0.00 3.19 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 4 S 9.37 4.48 0.00 4.17 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 5 A 8.56 3.98 1.36 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 0.00 0.00 6 E 8.13 3.93 0.00 2.09 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 2.41 2.47 0.00 7 E 8.30 4.01 0.00 2.40 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 2.44 2.43 0.00 8 K 8.28 3.73 0.00 1.93 1.78 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.26 1.59 7.81 9 Q 8.15 3.93 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 10 L 8.06 4.06 0.00 1.87 1.76 0.96 0.70 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 11 I 7.62 3.68 1.55 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.35 0.31 0.00 0.00 12 T 8.13 4.07 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 1.28 0.00 0.00 13 S 8.31 4.19 0.00 4.10 4.18 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 14 I 7.61 3.44 2.38 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.35 0.00 0.00 15 W 8.53 4.50 0.00 3.73 3.45 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 16 G 8.11 3.85 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 0.00 0.00 0.00 17 K 7.58 4.35 0.00 2.04 2.11 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.50 7.81 18 V 7.17 3.61 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 0.40 0.00 0.00 0.77 0.00 0.00 19 N 8.28 4.34 0.00 2.69 2.61 0.00 0.00 6.84 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 20 V 7.97 3.44 1.98 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 1.10 0.00 0.00 0.45 0.00 0.00 21 A 7.87 3.97 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 22 D 8.43 4.27 0.00 2.69 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 23 C 8.36 4.22 0.00 2.92 2.83 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 0.00 0.00 0.00 0.00 24 G 8.26 3.58 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 0.00 0.00 0.00 25 A 7.94 4.00 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 26 E 8.29 3.80 0.00 2.16 2.06 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 2.24 2.32 0.00 27 A 8.12 3.94 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 28 L 7.94 3.87 0.00 1.83 1.66 0.71 1.27 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 29 A 8.09 3.93 1.35 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 30 R 8.15 3.81 0.00 1.90 1.93 0.00 3.10 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 31 L 8.06 4.02 0.00 1.91 1.88 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.79 4.10 0.00 1.83 1.65 0.69 0.68 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 33 I 7.47 3.77 1.78 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 1.36 0.54 0.83 0.00 0.00 34 V 7.86 3.56 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 -0.09 0.00 0.00 0.72 0.00 0.00 35 Y 7.25 4.22 0.00 2.63 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 36 P 0.00 4.64 0.00 2.39 2.29 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 37 W 8.24 4.39 0.00 3.63 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 38 T 7.48 4.37 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 1.04 0.00 0.00 39 Q 8.11 4.22 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 40 R 7.83 3.83 0.00 1.74 1.64 0.00 3.13 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 41 F 7.83 4.30 0.00 2.71 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 42 F 7.88 4.47 0.00 2.96 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 43 S 8.13 4.26 0.00 4.00 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 44 S 8.02 4.47 0.00 4.13 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 45 F 8.41 4.69 0.00 3.22 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 46 G 7.97 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 0.00 0.00 0.00 47 N 8.72 4.57 0.00 2.72 2.79 0.00 0.00 6.60 7.78 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 48 L 8.38 4.84 0.00 1.67 1.63 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.31 4.55 0.00 4.01 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 50 S 7.47 4.61 0.00 4.01 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 51 A 8.56 3.97 1.31 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 0.00 0.00 52 T 7.88 3.75 4.23 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 1.20 0.00 0.00 53 A 7.97 4.00 1.30 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 0.00 0.00 54 I 8.15 3.81 1.97 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 1.52 1.22 0.92 0.00 0.00 55 S 8.17 4.27 0.00 3.89 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 56 G 7.85 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 0.00 0.00 0.00 57 N 7.60 4.51 0.00 3.00 2.87 0.00 0.00 6.88 7.35 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 58 P 0.00 4.24 0.00 2.24 2.26 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 N 8.05 3.99 0.00 2.49 1.56 0.00 0.00 6.79 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 60 V 8.04 3.70 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 1.11 0.00 0.00 1.08 0.00 0.00 61 K 8.16 3.91 0.00 1.93 1.82 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.69 7.81 62 A 8.09 4.00 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 63 H 8.67 4.32 0.00 3.53 3.61 0.00 5.80 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 64 G 8.51 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 65 K 7.90 3.99 0.00 1.80 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 66 K 7.87 3.98 0.00 1.92 1.88 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.67 7.81 67 V 7.90 3.64 2.34 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 1.23 0.00 0.00 1.05 0.00 0.00 68 L 8.24 4.46 0.00 1.99 1.83 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.14 4.24 4.53 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 1.33 0.00 0.00 70 S 8.23 4.46 0.00 3.92 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 71 F 8.49 4.30 0.00 3.53 3.20 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 72 G 8.13 2.30 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 0.00 0.00 0.00 73 D 7.91 4.24 0.00 2.62 2.48 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 0.00 0.00 0.00 0.00 74 A 7.81 4.07 1.46 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 0.00 0.00 0.00 75 V 7.09 3.17 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 0.68 0.00 0.00 0.65 0.00 0.00 76 K 7.53 4.27 0.00 1.63 1.76 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.29 7.81 77 N 7.64 4.75 0.00 2.54 2.56 0.00 0.00 7.04 6.55 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 78 L 8.03 3.92 0.00 1.21 0.60 0.18 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.62 4.93 0.00 2.83 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 80 N 8.09 5.08 0.00 2.76 2.66 0.00 0.00 7.19 8.00 0.00 0.00 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 I 8.14 3.89 2.01 0.00 0.00 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 1.66 0.97 1.04 0.00 0.00 82 K 8.21 4.04 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 83 G 8.04 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 84 T 7.73 3.71 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 0.45 0.00 0.00 85 F 7.75 4.50 0.00 3.11 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 86 A 7.69 3.97 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 87 Q 7.91 3.94 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 88 L 7.84 4.08 0.00 1.89 1.78 0.89 0.87 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 89 S 8.34 4.13 0.00 4.02 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 90 E 8.02 3.89 0.00 2.24 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 0.00 2.28 2.44 0.00 91 L 7.74 3.89 0.00 1.76 1.83 0.87 0.94 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 92 H 8.53 4.20 0.00 3.38 3.58 0.00 5.85 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 93 C 8.12 4.32 0.00 2.90 2.68 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 94 D 7.98 4.37 0.00 2.81 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 95 K 7.99 4.24 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.36 7.81 96 L 7.88 4.35 0.00 1.73 1.72 0.71 0.95 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 97 H 7.88 4.30 0.00 3.41 3.47 0.00 5.94 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.04 3.82 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 0.45 0.00 0.00 0.35 0.00 0.00 99 D 8.60 4.37 0.00 2.69 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 0.00 100 P 0.00 2.97 0.00 2.09 2.11 0.00 3.39 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 1.93 2.26 0.00 101 E 8.49 3.93 0.00 2.00 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 2.27 2.39 0.00 102 N 8.16 4.49 0.00 2.78 2.92 0.00 0.00 6.90 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 0.00 103 F 7.66 4.52 0.00 3.17 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 R 8.11 4.01 0.00 1.90 2.18 0.00 3.56 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 105 L 7.83 3.95 0.00 1.75 1.23 0.62 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.37 4.17 0.00 1.92 1.88 1.05 1.16 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 0.00 107 G 8.42 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.46 0.00 3.02 2.83 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 0.00 0.00 0.00 0.00 109 I 8.03 3.71 2.10 0.00 0.00 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 1.48 1.00 0.98 0.00 0.00 110 L 8.23 3.80 0.00 1.54 1.65 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.83 3.54 2.30 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 1.30 0.00 0.00 1.15 0.00 0.00 112 I 7.70 3.61 1.98 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 1.53 0.44 0.87 0.00 0.00 113 I 7.88 3.57 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.78 0.00 0.00 114 L 7.90 3.79 0.00 0.95 0.99 -0.10 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.25 3.46 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 0.00 116 A 7.67 3.89 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 0.00 117 H 7.92 4.03 0.00 3.05 3.16 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.38 4.54 0.00 3.26 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 0.00 119 G 8.66 3.85 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 0.00 0.00 0.00 120 K 8.78 4.14 0.00 1.80 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 121 D 7.85 4.52 0.00 3.00 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 0.00 122 F 8.14 4.45 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 0.00 123 T 7.33 4.16 4.33 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 1.29 0.00 0.00 124 P 0.00 4.18 0.00 2.16 2.14 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 E 8.05 3.92 0.00 2.02 1.98 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 2.39 2.41 0.00 126 C 7.87 4.01 0.00 2.85 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 0.00 127 Q 7.65 3.68 0.00 1.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 128 A 8.21 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 0.00 129 A 8.06 4.06 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 0.00 130 W 8.56 4.01 0.00 3.70 3.48 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 0.00 0.00 0.00 0.00 131 Q 8.82 4.09 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 132 K 8.31 3.86 0.00 1.98 2.13 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.05 1.25 7.81 133 L 8.14 4.24 0.00 1.71 1.71 0.71 0.06 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 0.00 134 V 8.23 3.98 2.28 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 0.88 0.00 0.00 1.22 0.00 0.00 135 R 8.17 4.03 0.00 2.13 2.00 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 136 V 8.07 3.62 2.41 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 1.13 0.00 0.00 1.00 0.00 0.00 137 V 7.99 3.12 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 -0.25 0.00 0.00 0.84 0.00 0.00 138 A 8.08 3.92 1.56 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 0.00 0.00 139 H 8.25 4.17 0.00 3.29 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.95 4.14 1.37 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 0.00 0.00 141 L 7.81 3.98 0.00 1.20 0.99 -0.14 0.39 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 0.00 142 A 7.74 4.84 1.63 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 0.00 143 R 7.26 4.33 0.00 1.79 1.88 0.00 3.15 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 144 K 7.08 3.82 0.00 1.36 1.43 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.33 7.81 145 Y 7.68 4.03 0.00 2.89 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 0.00 0.00 0.00 146 H 9.34 4.65 0.00 3.20 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00