NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7330 8.4093 118.2188 52.1816 38.0211 173.5301 7 P 4.2456 0.0000 0.0000 61.9868 32.6122 174.9714 8 P 4.7378 0.0000 0.0000 62.3512 33.2206 177.1546 9 K 4.4193 9.2427 123.6034 56.1687 33.5727 175.9783 10 V 4.6673 9.4209 126.0967 61.4643 33.3865 174.3519 11 I 4.9005 9.0091 129.1666 59.3944 40.2089 174.1703 12 L 4.6420 8.6129 129.4249 53.3155 43.9518 174.7310 13 L 4.8059 9.0367 129.9573 53.6073 44.0063 175.5058 14 V 4.5294 8.5451 128.9788 61.5084 32.0824 173.7846 15 E 4.9659 8.9214 128.5868 54.6728 32.0487 174.8039 16 D 4.4012 8.9053 126.2481 55.1161 40.5180 176.7982 17 S 4.3426 8.9084 116.0452 57.3325 62.9255 174.4775 18 K 3.9951 8.7193 129.5484 60.0247 31.7754 178.2086 19 A 4.0650 8.0857 120.6174 54.9598 18.3496 178.7265 20 D 4.2408 8.1957 115.6277 57.3443 40.9561 179.5001 21 S 4.0473 8.2076 112.8308 61.4817 62.6115 176.1420 22 R 4.0522 8.4827 121.1161 59.3954 29.9111 178.4947 23 L 4.0057 8.1105 120.1707 58.6914 41.8859 179.3634 24 V 3.6570 7.7676 117.4293 65.8801 31.1842 178.1797 25 Q 3.9817 8.1148 117.4685 58.9013 28.9243 177.9760 26 E 4.1273 8.2344 119.0656 59.5311 29.5182 179.1086 27 V 3.6304 7.9395 117.9690 66.4895 31.4615 178.1556 28 L 4.1193 8.0212 117.7440 56.9524 41.2283 178.9197 29 K 4.2512 7.9625 118.8860 58.0153 32.1070 177.0550 30 T 4.5170 7.3979 107.9611 61.6710 69.0154 174.0016 31 S 4.7023 7.5940 116.1874 57.9018 63.8239 173.8932 32 T 4.4409 8.2072 113.5983 61.4003 69.2721 174.6689 33 I 3.9462 7.5217 124.2604 60.9727 37.4560 174.9815 34 D 4.7142 8.6724 125.1899 54.6706 41.9160 174.4978 35 H 5.0660 8.5186 120.2499 54.9088 32.1904 172.3788 36 E 4.4342 9.6314 119.3910 54.4159 32.5314 173.6928 37 L 4.9450 8.6054 129.6232 53.9152 43.4970 175.3324 38 I 4.4173 9.1865 128.6227 59.6929 39.3643 174.5905 39 I 4.8133 8.3000 128.0593 59.5999 38.8516 175.1891 40 L 4.8258 9.0487 126.3422 53.1227 44.9366 177.5314 41 R 4.4904 8.6711 119.9995 56.6908 30.9890 175.9131 42 D 4.6597 7.3712 117.3934 51.4086 43.1942 176.2977 43 G 3.8349 8.3720 107.4686 46.9282 0.0000 175.9670 44 L 3.9105 7.9597 121.9210 58.1529 42.3343 178.4770 45 A 4.1311 9.3298 121.4864 55.3142 18.2274 179.4276 46 A 3.7970 7.7213 118.4544 55.7484 18.5004 179.9089 47 M 4.0809 7.9639 116.4201 58.1300 31.9895 178.9958 48 A 4.1811 8.1273 121.2263 55.0694 18.5619 179.3187 49 F 3.5391 7.9946 119.0866 61.4781 39.2088 177.3951 50 L 4.1360 8.0024 116.8994 57.2362 41.3718 178.5497 51 Q 4.3786 7.8113 115.7273 54.3946 30.0520 176.0639 52 Q 3.9454 7.9729 118.6876 56.3382 27.0785 173.3706 53 Q 4.6483 7.9924 116.5953 55.0548 32.8950 177.2498 54 G 3.7291 8.3509 107.4999 46.2145 0.0000 176.8464 55 E 3.7866 8.7116 120.6972 59.0230 29.4500 177.3300 56 Y 4.7682 7.3605 115.7326 56.8859 37.8756 174.7671 57 E 4.4395 8.0607 121.5401 57.1175 30.0937 176.6291 58 N 4.5282 8.8728 120.4651 54.0500 36.5317 174.5247 59 S 3.9849 7.1401 114.1265 57.9597 63.2858 172.4602 60 P 4.3325 0.0000 0.0000 62.3602 31.6907 176.0774 61 R 4.0300 8.4784 122.8507 55.3926 30.3575 174.3378 62 P 4.6221 0.0000 0.0000 63.0798 32.0577 175.8424 63 N 4.7770 8.9299 117.7478 54.3921 39.7853 175.0887 64 L 4.5529 7.5629 119.7056 53.5713 46.1109 174.2032 65 I 4.8371 8.1983 125.1015 59.5201 40.6811 174.2942 66 L 4.7184 8.9768 128.3064 53.1687 43.3508 175.2772 67 L 4.7565 8.4867 127.0167 53.0671 44.4257 174.7270 68 D 5.0297 8.3817 126.3857 53.0967 41.9210 176.2099 69 L 4.0436 8.2321 124.7262 57.6606 42.9043 176.8358 70 N 4.6404 8.0695 118.3792 52.2204 37.1712 173.3735 71 L 4.7980 7.5899 121.1322 51.5224 45.4412 174.6783 72 P 4.5089 0.0000 0.0000 62.5381 32.4210 178.1590 73 K 4.0549 8.9547 122.9557 57.7372 31.1304 176.8931 74 K 4.4344 7.3337 118.1886 53.6112 35.2986 174.1784 75 D 4.6132 8.8980 125.5915 54.6599 42.6660 177.5140 76 G 3.6282 9.0623 113.6654 47.5682 0.0000 176.0427 77 R 3.9167 8.0633 120.7857 59.4257 30.1132 178.2357 78 E 3.9625 7.9939 118.0348 59.2473 29.4886 179.2219 79 V 3.5499 7.7845 118.3427 65.9030 31.6004 177.8462 80 L 3.8723 8.0648 119.8068 57.9328 41.6970 178.5892 81 A 3.9962 7.8441 119.5998 55.5409 18.6803 179.2660 82 E 4.0779 8.5162 117.2483 59.4067 29.4688 179.5906 83 I 3.7175 7.9405 120.0456 64.2694 37.0448 177.9363 84 K 4.3795 7.9480 115.8277 57.3771 32.2311 177.9615 85 Q 4.6442 7.5496 116.9316 54.7518 30.1411 174.9058 86 N 4.5406 7.4701 118.7956 52.1906 38.9352 173.7485 87 P 4.3176 0.0000 0.0000 65.4708 31.7585 177.3857 88 D 4.4778 8.2944 117.2526 56.3687 41.5454 176.9777 89 L 4.3831 8.0141 117.5952 55.9013 42.7953 179.0176 90 K 4.3081 8.6276 120.5138 59.3701 32.3088 177.5918 91 R 4.0362 7.8660 113.3956 58.4370 29.8048 176.4465 92 I 3.7664 7.5859 120.0622 60.8117 37.5963 174.5454 93 P 4.3893 0.0000 0.0000 62.9717 32.5591 175.4191 94 V 4.4441 8.8719 123.6638 61.0420 34.3213 174.3368 95 V 4.1793 8.7650 129.4641 60.8429 32.8123 174.7551 96 V 3.8707 8.0074 129.2232 62.8695 32.5022 174.8562 97 L 4.8448 8.9396 129.7530 53.5362 43.9206 174.3611 98 T 4.6099 8.1977 119.6256 60.0181 71.3226 174.4211 99 T 3.8137 8.6102 117.0564 64.9143 67.5350 175.0864 100 S 4.5258 7.8797 114.1939 58.8467 63.5180 172.9513 101 H 5.0859 8.3376 115.3922 54.5567 29.0873 173.6836 102 N 4.3250 8.2886 118.4155 54.0502 39.4813 174.7455 103 E 3.8171 8.9956 126.1519 59.6349 29.4613 178.9271 104 D 4.3053 7.9205 118.2856 57.4757 40.9915 178.2305 105 D 4.3544 7.8724 118.9312 57.1378 40.8792 178.6783 106 V 2.7521 7.8340 119.0781 66.0248 31.4407 178.2093 107 I 3.8178 7.8088 119.1574 64.1288 36.9142 178.3668 108 A 3.9807 8.1665 121.6729 55.4699 18.3245 179.8075 109 S 4.0902 8.3943 113.9786 62.0318 62.7539 176.7648 110 Y 4.0534 7.9719 119.3904 61.0789 37.4601 178.0986 111 E 3.9996 8.4482 118.6884 58.8620 29.5586 178.3695 112 L 4.3520 7.6194 116.8441 54.4830 41.8691 176.1962 113 H 4.2127 8.2432 115.4492 56.7734 26.2229 175.7104 114 V 3.8468 7.5649 118.0882 61.5723 32.1127 175.9331 115 N 4.8299 8.3689 120.7940 56.5419 39.1062 175.1175 116 C 5.0288 7.8024 110.8978 57.3295 33.1627 172.0217 117 Y 4.8451 8.7945 121.1441 55.7856 40.9242 174.5862 118 L 4.9305 8.4245 125.9180 53.2699 45.4966 175.4051 119 T 4.8740 8.5561 120.1640 61.6319 69.9291 174.7095 120 K 3.9236 9.0314 127.2455 56.6811 32.8746 177.5170 121 S 4.2297 8.6930 121.4765 58.6542 63.3624 175.3753 122 R 4.0469 8.4992 121.9632 57.3701 30.2709 176.3290 123 N 4.6656 7.4106 117.2366 52.2180 38.6131 176.0588 124 L 3.4078 7.6597 127.2141 57.1634 43.8304 178.7060 125 K 4.2386 8.3263 119.0619 60.0055 32.3191 178.2740 126 D 4.5008 8.1485 118.7097 56.9259 40.6688 178.5786 127 L 4.0250 7.5558 121.0529 57.5181 42.0204 178.6763 128 F 4.2274 7.8651 117.9450 60.4044 38.8307 177.2946 129 K 3.9230 8.2571 118.6734 59.8258 32.0559 177.8360 130 M 3.9868 7.8425 117.9666 59.0460 32.2268 178.2900 131 V 3.6625 8.3306 118.4178 66.2022 31.5297 177.9975 132 Q 4.1841 8.6461 118.4334 58.7955 28.4345 179.0079 133 G 3.6393 8.3737 107.0362 47.7583 0.0000 175.6832 134 I 4.2058 7.7983 122.3369 64.2323 37.2131 177.9224 135 E 3.9778 8.1584 119.6842 59.6557 29.5227 178.3921 136 S 4.0854 8.4111 113.2060 61.6163 62.3903 175.7908 137 F 4.0568 9.1976 123.7462 61.3921 39.0879 177.4596 138 W 4.1440 8.4848 117.5703 58.8057 29.0178 177.1968 139 L 4.5573 8.0005 116.5940 54.7523 42.2911 176.3760 140 E 4.4549 8.1058 116.8422 57.9423 31.6988 176.9222 141 T 3.9793 7.5842 113.3658 66.0997 68.8157 175.9911 142 V 3.2196 7.2084 120.0331 62.8838 31.8709 175.8268 143 T 4.2881 7.9696 122.7527 62.0450 67.9745 174.7738 144 L 4.3903 8.1432 126.7030 53.4484 42.6904 175.2971 145 P 4.6055 0.0000 0.0000 61.6157 32.7276 175.9660 146 A 4.1588 8.4454 121.8931 52.6688 18.2965 177.4791 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 6 N 8.41 4.73 0.00 2.85 2.94 0.00 0.00 6.09 6.86 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 7 P 0.00 4.25 0.00 2.29 2.10 0.00 3.79 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 2.00 2.06 0.00 8 P 0.00 4.74 0.00 1.97 2.05 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 9 K 9.24 4.42 0.00 1.69 1.78 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.56 7.81 10 V 9.42 4.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 11 I 9.01 4.90 1.88 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 1.13 0.91 0.87 0.00 0.00 12 L 8.61 4.64 0.00 1.52 1.35 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.04 4.81 0.00 1.62 1.44 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.55 4.53 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 0.78 0.00 0.00 0.77 0.00 0.00 15 E 8.92 4.97 0.00 1.86 1.69 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 2.17 2.44 0.00 16 D 8.91 4.40 0.00 2.81 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 17 S 8.91 4.34 0.00 3.83 3.88 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 0.00 0.00 0.00 0.00 18 K 8.72 4.00 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.50 7.81 19 A 8.09 4.07 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 20 D 8.20 4.24 0.00 2.60 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 21 S 8.21 4.05 0.00 3.83 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 22 R 8.48 4.05 0.00 2.19 1.99 0.00 3.46 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 23 L 8.11 4.01 0.00 1.60 1.79 0.04 1.11 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 24 V 7.77 3.66 2.27 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 0.97 0.00 0.00 0.98 0.00 0.00 25 Q 8.11 3.98 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 26 E 8.23 4.13 0.00 2.29 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 2.45 2.59 0.00 27 V 7.94 3.63 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 1.10 0.00 0.00 1.28 0.00 0.00 28 L 8.02 4.12 0.00 1.95 1.75 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.96 4.25 0.00 2.02 1.99 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 30 T 7.40 4.52 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 1.24 0.00 0.00 31 S 7.59 4.70 0.00 3.77 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 32 T 8.21 4.44 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 I 7.52 3.95 1.85 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 1.19 0.92 0.93 0.00 0.00 34 D 8.67 4.71 0.00 2.83 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 35 H 8.52 5.07 0.00 3.35 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.63 4.43 0.00 1.96 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 0.00 2.20 2.23 0.00 37 L 8.61 4.94 0.00 1.72 1.57 0.96 1.06 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 38 I 9.19 4.42 1.62 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 1.28 0.69 0.67 0.00 0.00 39 I 8.30 4.81 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.92 0.00 0.00 40 L 9.05 4.83 0.00 1.33 1.40 0.47 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.67 4.49 0.00 1.79 1.95 0.00 3.39 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 42 D 7.37 4.66 0.00 3.16 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 43 G 8.37 3.83 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 0.00 0.00 0.00 44 L 7.96 3.91 0.00 1.71 1.78 0.96 1.08 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 45 A 9.33 4.13 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 46 A 7.72 3.80 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 7.96 4.08 0.00 2.06 2.14 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 2.62 2.85 0.00 48 A 8.13 4.18 1.62 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 49 F 7.99 3.54 0.00 2.06 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 50 L 8.00 4.14 0.00 1.91 1.77 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.81 4.38 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 52 Q 7.97 3.95 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.71 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 53 Q 7.99 4.65 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.76 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 54 G 8.35 3.73 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 0.00 0.00 0.00 55 E 8.71 3.79 0.00 1.80 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 1.47 1.47 0.00 56 Y 7.36 4.77 0.00 3.22 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 57 E 8.06 4.44 0.00 2.17 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 2.28 2.22 0.00 58 N 8.87 4.53 0.00 2.87 2.84 0.00 0.00 7.00 7.57 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 59 S 7.14 3.98 0.00 3.32 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 60 P 0.00 4.33 0.00 2.24 2.09 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 61 R 8.48 4.03 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 62 P 0.00 4.62 0.00 2.21 2.07 0.00 3.89 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 63 N 8.93 4.78 0.00 2.58 2.94 0.00 0.00 6.67 7.79 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 64 L 7.56 4.55 0.00 1.69 1.41 0.46 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.20 4.84 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.79 0.00 0.00 66 L 8.98 4.72 0.00 1.44 1.49 0.87 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.49 4.76 0.00 1.61 1.35 0.84 0.83 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 68 D 8.38 5.03 0.00 2.83 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 69 L 8.23 4.04 0.00 1.66 1.67 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.07 4.64 0.00 2.67 2.73 0.00 0.00 6.77 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 71 L 7.59 4.80 0.00 1.77 1.50 0.93 1.22 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 72 P 0.00 4.51 0.00 2.17 1.97 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 73 K 8.95 4.05 0.00 1.91 1.95 0.00 1.97 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81 74 K 7.33 4.43 0.00 1.74 1.52 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.54 7.81 75 D 8.90 4.61 0.00 2.74 2.53 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 0.00 76 G 9.06 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 77 R 8.06 3.92 0.00 1.89 1.93 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 78 E 7.99 3.96 0.00 2.25 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 2.40 2.36 0.00 79 V 7.78 3.55 2.20 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 0.95 0.00 0.00 0.98 0.00 0.00 80 L 8.06 3.87 0.00 1.75 1.80 0.87 0.94 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 81 A 7.84 4.00 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 82 E 8.52 4.08 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 2.33 2.44 0.00 83 I 7.94 3.72 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.30 0.89 0.00 0.00 84 K 7.95 4.38 0.00 1.77 1.86 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.57 1.90 7.81 85 Q 7.55 4.64 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 86 N 7.47 4.54 0.00 2.95 2.83 0.00 0.00 7.03 7.59 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 87 P 0.00 4.32 0.00 2.08 2.11 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 88 D 8.29 4.48 0.00 2.63 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 89 L 8.01 4.38 0.00 1.90 1.68 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.63 4.31 0.00 1.89 1.82 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 91 R 7.87 4.04 0.00 1.98 2.06 0.00 3.11 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 92 I 7.59 3.77 1.92 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 1.23 0.65 0.95 0.00 0.00 93 P 0.00 4.39 0.00 1.76 1.65 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 94 V 8.87 4.44 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 0.81 0.00 0.00 0.84 0.00 0.00 95 V 8.76 4.18 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 0.75 0.00 0.00 0.14 0.00 0.00 96 V 8.01 3.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.77 0.00 0.00 97 L 8.94 4.84 0.00 1.58 1.34 0.84 0.37 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 98 T 8.20 4.61 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 1.06 0.00 0.00 99 T 8.61 3.81 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 1.22 0.00 0.00 100 S 7.88 4.53 0.00 4.06 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 0.00 101 H 8.34 5.09 0.00 3.24 3.41 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.29 4.32 0.00 2.86 2.76 0.00 0.00 6.60 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 0.00 103 E 9.00 3.82 0.00 1.99 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 0.00 2.35 2.39 0.00 104 D 7.92 4.31 0.00 2.71 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 0.00 105 D 7.87 4.35 0.00 2.90 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 0.00 106 V 7.83 2.75 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 0.99 0.00 0.00 0.34 0.00 0.00 107 I 7.81 3.82 1.93 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 1.45 0.67 0.92 0.00 0.00 108 A 8.17 3.98 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 0.00 109 S 8.39 4.09 0.00 4.00 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 0.00 110 Y 7.97 4.05 0.00 3.26 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.45 4.00 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 2.54 2.51 0.00 112 L 7.62 4.35 0.00 1.78 1.70 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.24 4.21 0.00 3.32 3.51 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.56 3.85 2.08 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 0.23 0.00 0.00 0.90 0.00 0.00 115 N 8.37 4.83 0.00 2.58 3.11 0.00 0.00 6.76 7.54 0.00 0.00 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 C 7.80 5.03 0.00 3.20 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.79 4.85 0.00 2.58 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 0.00 118 L 8.42 4.93 0.00 1.58 1.49 0.96 0.78 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 0.00 119 T 8.56 4.87 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 120 K 9.03 3.92 0.00 1.55 1.72 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 121 S 8.69 4.23 0.00 3.84 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 0.00 122 R 8.50 4.05 0.00 1.78 1.96 0.00 3.32 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 123 N 7.41 4.67 0.00 2.87 2.78 0.00 0.00 6.75 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.66 3.41 0.00 1.65 1.58 1.29 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.33 4.24 0.00 1.98 1.86 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 126 D 8.15 4.50 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.02 0.00 1.52 1.48 0.78 1.16 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 0.00 128 F 7.87 4.23 0.00 3.37 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.26 3.92 0.00 1.89 2.04 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 130 M 7.84 3.99 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 131 V 8.33 3.66 2.27 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 1.02 0.00 0.00 1.00 0.00 0.00 132 Q 8.65 4.18 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 133 G 8.37 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.80 4.21 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 1.03 0.00 0.00 135 E 8.16 3.98 0.00 2.08 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 2.31 2.47 0.00 136 S 8.41 4.09 0.00 4.02 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 0.00 137 F 9.20 4.06 0.00 3.02 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 0.00 138 W 8.48 4.14 0.00 3.52 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.00 4.56 0.00 1.89 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.11 4.45 0.00 1.93 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 0.00 2.16 2.23 0.00 141 T 7.58 3.98 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 1.10 0.00 0.00 142 V 7.21 3.22 1.91 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 0.69 0.00 0.00 -0.61 0.00 0.00 143 T 7.97 4.29 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 1.20 0.00 0.00 144 L 8.14 4.39 0.00 1.67 1.64 1.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.61 0.00 2.19 2.07 0.00 3.82 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 1.98 2.11 0.00 146 A 8.45 4.16 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