NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4551 8.3044 118.1959 55.2716 32.5594 174.3770 1 V 4.2381 7.8502 118.4917 60.9568 34.3384 173.1919 2 L 4.2854 8.3261 127.4801 54.0560 43.5466 176.8522 3 S 4.5369 8.5515 116.8961 57.6182 65.3206 175.0645 4 E 4.2767 8.8282 122.4112 59.5669 29.3314 178.9995 5 G 3.6474 8.1040 105.2295 47.8282 0.0000 175.4081 6 E 3.8937 8.0094 120.4420 58.9460 29.4168 179.2763 7 W 4.4133 7.9632 118.9525 60.0728 29.0813 178.5572 8 Q 4.1510 8.6633 118.2040 58.9973 28.0154 178.8412 9 L 4.0684 7.9894 120.0121 57.7332 41.6462 179.8217 10 V 3.7333 7.9821 118.1124 66.1938 31.6140 178.0587 11 L 4.3881 8.6112 118.4817 57.2078 41.1735 178.9616 12 H 4.2570 8.5690 119.3335 59.2626 29.9439 177.6059 13 V 3.5315 7.8270 120.8296 64.2099 31.3034 178.1437 14 W 3.7604 8.4660 129.1377 60.1199 30.2614 177.7766 15 A 3.9481 7.9012 120.0964 54.8309 18.1224 179.5231 16 K 3.9283 7.3765 117.1429 59.3762 32.0853 179.4799 17 V 2.7965 7.0296 118.3862 65.8943 31.0219 177.7254 18 E 3.8739 7.5706 115.6454 58.0970 29.2978 178.6048 19 A 4.1980 7.4121 120.3824 53.8520 19.8331 177.5540 20 D 4.6572 7.8740 116.8139 52.0033 42.3078 175.5467 21 V 3.4832 7.8975 122.8660 65.5526 32.0918 176.8490 22 A 4.0799 7.9862 120.2758 54.9187 18.2836 179.7389 23 G 3.7344 8.1986 105.6731 47.7961 0.0000 175.7507 24 H 4.1757 8.2412 119.0208 58.2609 28.7854 177.8990 25 G 3.7393 8.2765 107.8260 47.9581 0.0000 175.2405 26 Q 3.9035 8.0220 122.1198 58.9158 29.1056 177.9335 27 D 4.3226 7.9260 119.6952 57.6236 40.8428 179.0719 28 I 3.6641 7.8539 120.0963 64.4901 37.0263 178.5846 29 L 3.5340 7.6811 119.4347 57.3764 41.3166 179.5665 30 I 3.6663 7.7170 119.9904 64.1564 36.9401 178.3673 31 R 3.7914 7.9902 119.6452 59.1689 29.8076 178.1910 32 L 3.8959 7.9329 120.3641 58.4666 41.9538 179.1536 33 F 4.5508 7.9995 117.7570 60.2997 38.5628 178.0985 34 K 4.0267 8.2667 118.0435 59.6586 31.9939 179.3380 35 S 4.2210 8.0050 114.2326 60.5112 64.2005 174.6305 36 H 4.7095 8.2246 118.2149 52.0302 29.2295 171.9321 37 P 4.5086 0.0000 0.0000 64.5792 31.5595 177.5745 38 E 4.2042 8.3100 116.4373 59.7674 29.2892 179.2010 39 T 3.8058 8.1868 110.6340 64.3534 68.6222 176.1931 40 L 3.4934 7.8345 123.1007 57.7490 41.7350 178.6664 41 E 4.0178 8.0005 117.8534 59.0540 29.4320 178.9129 42 K 4.3856 8.1832 117.2400 57.1867 32.8540 177.1984 43 F 4.5544 8.1613 119.3137 55.2942 38.3138 175.8598 44 D 4.5685 8.5059 125.8866 56.8018 41.0544 178.4102 45 R 4.1642 8.1752 118.5491 58.2944 30.5113 177.0285 46 V 4.3585 7.9342 109.1151 61.1589 33.4318 178.1269 47 K 4.2528 8.0031 121.4602 59.5794 32.6041 176.7365 48 H 4.3730 8.1591 112.2008 57.2802 28.9824 175.5176 49 L 3.9961 7.3781 121.1538 55.2497 41.6535 176.9654 50 K 4.2693 9.6393 123.7687 57.3559 33.3180 176.9845 51 T 4.7218 7.4512 107.5995 59.0191 73.1937 174.3034 52 E 3.9702 8.6083 120.6274 59.1337 29.4540 178.5185 53 A 3.9981 7.9269 120.6746 55.1441 18.2943 179.2764 54 E 3.9325 7.8775 115.7940 59.7699 29.7859 179.1903 55 M 4.2263 8.0511 118.7885 58.3815 31.8073 179.0040 56 K 4.0152 8.0958 117.4610 58.9788 32.2972 178.5402 57 A 4.4277 7.4673 119.0000 51.9280 18.9806 177.1364 58 S 4.2707 7.5859 113.8891 57.3173 62.7876 174.3603 59 E 3.9667 8.8934 129.2152 59.5245 29.4066 178.3112 60 D 4.2932 8.0549 118.5651 57.1147 40.8378 178.2825 61 L 4.0098 8.0000 121.0224 58.0361 42.0953 179.0125 62 K 3.9488 7.9218 119.5628 59.1971 32.1025 178.9818 63 K 3.9385 8.2206 118.9601 59.7784 31.9209 178.7439 64 H 4.4101 8.2608 116.5622 59.0672 28.6503 177.8643 65 G 3.6931 8.3735 107.4868 47.9856 0.0000 175.8394 66 V 3.6405 7.8824 120.7707 65.8601 31.5492 178.1831 67 T 3.9024 8.1275 115.5657 66.6752 68.2820 176.7071 68 V 3.6679 8.1551 120.2697 66.2104 31.6430 178.1398 69 L 4.2421 8.2700 118.7341 57.8999 41.4806 179.6688 70 T 3.9869 8.3186 115.8816 66.5866 68.5505 176.6353 71 A 4.0063 8.1180 122.7613 55.0534 18.3003 179.4984 72 L 3.7223 8.2731 119.2210 57.9583 42.1329 179.2865 73 G 3.3485 8.6948 105.8975 47.7912 0.0000 175.5434 74 A 4.0435 7.7060 122.0024 54.6458 18.6333 179.6434 75 I 3.7730 7.3734 118.1672 64.5716 37.2409 178.6222 76 L 3.9790 7.7927 120.0187 57.5940 41.1684 179.4913 77 K 4.0253 7.6909 116.8692 58.3322 32.2659 178.9490 78 K 3.9126 7.9036 118.8776 56.4599 32.3207 176.8001 79 K 2.0000 8.2211 117.7354 56.4530 29.7001 175.8329 80 G 3.9645 7.9538 106.5317 45.7488 0.0000 174.1575 81 H 4.5537 7.3557 119.1376 55.2953 27.5364 174.8798 82 H 5.2460 7.5161 111.4461 54.1631 29.5653 176.1110 83 E 3.9918 8.4648 121.0417 60.3997 28.6985 178.9648 84 A 4.0152 7.9067 119.9263 54.8403 18.8203 179.0172 85 E 4.1104 8.1520 116.5945 59.2603 29.6574 179.2709 86 L 4.0762 8.1008 119.3391 57.2922 41.6413 179.2470 87 K 3.9086 7.8252 118.7789 59.1912 32.0900 177.5054 88 P 4.3200 0.0000 0.0000 65.7190 31.1354 178.1707 89 L 4.0027 7.5085 117.4708 57.9782 42.0630 178.7267 90 A 4.2164 8.6241 121.1861 55.1400 18.2789 179.4684 91 Q 3.8914 8.2300 118.4238 59.3931 29.1205 178.6142 92 S 4.0459 8.1338 115.4010 61.7518 63.1311 176.1247 93 H 4.1116 8.5759 119.5853 58.1690 28.2490 177.6840 94 A 2.6306 8.2516 122.5579 54.4009 18.2260 178.8258 95 T 4.0401 7.3663 112.0762 64.3919 69.8705 175.6634 96 K 4.1021 7.4546 119.9284 58.6767 33.1970 177.1862 97 H 4.2094 8.0664 115.9708 57.3354 29.2371 175.4165 98 K 3.1844 7.5280 116.6554 56.7162 28.0368 174.8851 99 I 4.3381 7.9240 118.8468 58.4265 38.4818 174.7038 100 P 4.4771 0.0000 0.0000 62.3448 32.0147 177.3549 101 I 3.5865 8.6090 121.3252 64.7972 36.8564 178.3530 102 K 3.8546 7.9003 119.7195 59.7750 31.9395 178.2523 103 Y 4.2007 7.9934 116.9562 60.7778 37.8745 178.1060 104 L 4.2393 7.8679 119.6554 57.4403 41.7788 179.1179 105 E 4.0146 8.0550 118.9156 59.3654 29.3987 179.2545 106 F 4.4889 7.9128 117.8340 60.8505 38.9554 177.6837 107 I 3.8789 8.1113 118.0536 63.9727 37.7521 178.0915 108 S 4.2096 8.0992 116.2066 61.4616 62.6208 176.1602 109 E 4.0339 8.3874 121.9603 59.2678 29.4004 178.7834 110 A 4.0901 8.1300 120.9134 54.9298 18.3116 179.8321 111 I 3.6931 8.0761 118.6359 64.7655 37.2899 178.6203 112 I 3.8376 7.9490 120.6426 64.6671 36.9166 178.0553 113 H 4.1794 8.3665 119.1294 59.3140 29.6579 177.6095 114 V 3.5955 7.8849 120.1180 65.8059 31.2739 177.9846 115 L 3.7814 7.9632 118.9702 57.8182 41.0702 178.8556 116 H 4.3517 7.9272 117.0905 59.4908 29.8943 177.2566 117 S 4.1862 7.8158 115.4161 61.7940 62.8270 176.5949 118 R 4.0469 7.9197 119.0197 57.5919 31.1866 176.5474 119 H 5.0438 8.2518 115.7406 54.0316 29.3801 173.1945 120 P 4.3370 0.0000 0.0000 65.7077 31.8154 179.3293 121 G 3.6495 8.1262 106.8452 47.5268 0.0000 173.7626 122 N 4.9629 8.2273 115.1527 52.9690 39.3377 174.8599 123 F 4.9929 7.8127 119.3872 56.4813 39.5879 174.3237 124 G 3.8900 7.6885 108.8797 43.8829 0.0000 172.1078 125 A 3.8725 8.3753 120.6538 55.4721 18.2956 179.7121 126 D 4.1975 7.9722 116.6074 57.3663 40.8483 178.7504 127 A 3.9397 7.7517 120.9164 55.0622 18.3741 179.3233 128 Q 3.2529 7.8382 118.5018 58.7624 28.9988 178.6329 129 G 3.4899 8.1225 106.7720 47.6958 0.0000 175.5518 130 A 3.8615 8.0286 123.5872 54.8970 18.2881 179.4224 131 M 3.9823 8.3063 116.9811 58.8278 32.3215 177.8519 132 N 4.2936 8.4996 117.5984 56.6112 39.0394 176.6591 133 K 3.8478 8.1744 120.7566 59.3893 32.2125 178.6815 134 A 3.8481 7.9880 121.0785 55.2056 18.2427 179.6837 135 L 4.0974 8.3112 117.7741 57.7185 41.6411 179.5363 136 E 3.9625 8.6054 119.2510 59.1509 29.4030 178.9891 137 L 3.9430 8.1062 120.4015 58.1219 42.1121 178.5024 138 F 4.1892 8.4220 120.6108 61.8031 39.2218 177.4081 139 R 3.4004 8.2115 117.4275 58.8351 29.7412 179.0863 140 K 3.8505 8.1259 119.6584 59.5055 32.2806 178.7534 141 D 4.3275 8.1293 119.2440 57.1179 40.6551 178.7676 142 I 3.3616 7.5904 120.4016 64.2446 37.0727 178.2194 143 A 3.8903 8.0189 122.7043 54.4614 18.1846 179.5721 144 A 3.9487 7.8930 119.2154 55.2562 18.4502 180.0880 145 K 4.0280 7.9353 116.9155 59.5248 32.0047 179.0729 146 Y 4.3606 8.4373 117.6333 61.1616 37.8559 178.6074 147 K 3.9023 8.1050 120.1959 59.8683 32.0783 178.6363 148 E 4.0569 8.0268 117.0114 58.8305 29.4353 178.4210 149 L 4.4620 7.7394 116.7454 54.6539 42.1350 177.4455 150 G 3.9793 8.0055 107.5838 45.5523 0.0000 173.1584 151 Y 4.2442 7.9826 119.8383 60.3006 40.3727 177.3238 152 Q 3.1210 7.3860 118.6903 57.2641 26.9015 174.9030 153 G 2.1231 6.4060 114.6350 45.2061 0.0000 172.1622 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 0 M 8.30 4.46 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.85 4.24 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 0.86 0.00 0.00 0.96 0.00 0.00 2 L 8.33 4.29 0.00 0.98 0.72 0.62 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.55 4.54 0.00 4.07 3.98 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 E 8.83 4.28 0.00 2.20 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 2.44 2.52 0.00 5 G 8.10 3.65 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 0.00 0.00 0.00 6 E 8.01 3.89 0.00 1.88 1.71 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 2.21 2.25 0.00 7 W 7.96 4.41 0.00 3.54 3.22 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 8 Q 8.66 4.15 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 7.99 4.07 0.00 1.91 1.76 0.89 0.85 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 10 V 7.98 3.73 2.43 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 1.20 0.00 0.00 0.93 0.00 0.00 11 L 8.61 4.39 0.00 1.90 1.82 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.57 4.26 0.00 3.42 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.53 2.40 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 0.99 0.00 0.00 0.84 0.00 0.00 14 W 8.47 3.76 0.00 3.69 3.26 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 15 A 7.90 3.95 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 16 K 7.38 3.93 0.00 1.34 1.67 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 17 V 7.03 2.80 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 0.00 0.00 -0.07 0.00 0.00 0.36 0.00 0.00 18 E 7.57 3.87 0.00 1.97 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 0.00 2.23 2.04 0.00 19 A 7.41 4.20 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 20 D 7.87 4.66 0.00 2.69 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 21 V 7.90 3.48 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 1.08 0.00 0.00 0.86 0.00 0.00 22 A 7.99 4.08 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 23 G 8.20 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 24 H 8.24 4.18 0.00 3.16 3.25 0.00 5.84 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 25 G 8.28 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 26 Q 8.02 3.90 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 27 D 7.93 4.32 0.00 2.82 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 28 I 7.85 3.66 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 29 L 7.68 3.53 0.00 1.46 0.95 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.72 3.67 1.90 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 1.44 0.77 0.90 0.00 0.00 31 R 7.99 3.79 0.00 1.88 2.19 0.00 3.04 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 32 L 7.93 3.90 0.00 1.65 1.38 1.06 1.01 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 33 F 8.00 4.55 0.00 3.05 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 34 K 8.27 4.03 0.00 1.67 1.84 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.70 7.81 35 S 8.00 4.22 0.00 3.66 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 36 H 8.22 4.71 0.00 3.03 3.02 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 37 P 0.00 4.51 0.00 2.15 2.11 0.00 3.84 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 2.09 2.00 0.00 38 E 8.31 4.20 0.00 2.30 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 2.32 2.58 0.00 39 T 8.19 3.81 4.41 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 0.00 0.00 0.00 0.73 0.00 0.00 40 L 7.83 3.49 0.00 1.36 1.70 -0.05 0.65 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 41 E 8.00 4.02 0.00 2.27 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 2.37 2.38 0.00 42 K 8.18 4.39 0.00 1.88 1.66 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.70 1.94 7.81 43 F 8.16 4.55 0.00 3.17 3.04 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 44 D 8.51 4.57 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.16 0.00 1.91 2.15 0.00 3.33 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 46 V 7.93 4.36 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 0.77 0.00 0.00 0.80 0.00 0.00 47 K 8.00 4.25 0.00 2.05 1.86 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 48 H 8.16 4.37 0.00 3.30 3.44 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.38 4.00 0.00 1.51 1.58 0.86 0.60 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 50 K 9.64 4.27 0.00 1.68 1.83 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 T 7.45 4.72 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 52 E 8.61 3.97 0.00 2.05 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 2.37 2.38 0.00 53 A 7.93 4.00 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 54 E 7.88 3.93 0.00 2.13 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 2.34 2.34 0.00 55 M 8.05 4.23 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 56 K 8.10 4.02 0.00 1.96 1.87 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.44 7.81 57 A 7.47 4.43 1.34 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 0.00 0.00 58 S 7.59 4.27 0.00 3.97 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 59 E 8.89 3.97 0.00 2.12 1.93 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 2.38 2.46 0.00 60 D 8.05 4.29 0.00 2.75 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 61 L 8.00 4.01 0.00 1.76 1.84 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.95 0.00 1.81 1.92 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 K 8.22 3.94 0.00 1.74 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.55 7.81 64 H 8.26 4.41 0.00 3.40 3.50 0.00 5.63 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 65 G 8.37 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 66 V 7.88 3.64 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 1.13 0.00 0.00 0.97 0.00 0.00 67 T 8.13 3.90 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 1.30 0.00 0.00 68 V 8.16 3.67 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 1.19 0.00 0.00 1.14 0.00 0.00 69 L 8.27 4.24 0.00 1.83 1.91 0.94 0.84 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 70 T 8.32 3.99 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 71 A 8.12 4.01 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 72 L 8.27 3.72 0.00 1.64 1.70 0.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.69 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.71 4.04 1.34 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 0.00 0.00 75 I 7.37 3.77 1.78 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 0.79 0.81 0.00 0.00 76 L 7.79 3.98 0.00 1.24 1.59 -0.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 4.03 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.90 3.91 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.83 7.81 79 K 8.22 2.00 0.00 1.31 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.33 0.81 7.81 80 G 7.95 3.96 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 0.00 81 H 7.36 4.55 0.00 3.16 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.52 5.25 0.00 3.31 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.46 3.99 0.00 2.20 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 2.38 2.36 0.00 84 A 7.91 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.15 4.11 0.00 2.23 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 2.39 2.46 0.00 86 L 8.10 4.08 0.00 1.96 1.73 1.00 0.76 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 87 K 7.83 3.91 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.32 0.00 2.29 2.33 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 89 L 7.51 4.00 0.00 1.91 1.92 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.62 4.22 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 91 Q 8.23 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.13 4.05 0.00 3.96 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 93 H 8.58 4.11 0.00 3.62 3.63 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 94 A 8.25 2.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.37 4.04 4.17 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 1.11 0.00 0.00 96 K 7.45 4.10 0.00 1.52 1.54 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.34 7.81 97 H 8.07 4.21 0.00 3.00 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.18 0.00 1.78 1.80 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 1.16 7.81 99 I 7.92 4.34 2.11 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 1.39 0.96 1.14 0.00 0.00 100 P 0.00 4.48 0.00 1.92 1.97 0.00 3.13 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.46 0.00 101 I 8.61 3.59 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.81 0.00 0.00 102 K 7.90 3.85 0.00 1.71 1.61 0.00 1.47 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 0.68 7.81 103 Y 7.99 4.20 0.00 3.16 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 0.00 104 L 7.87 4.24 0.00 1.80 1.77 0.71 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.06 4.01 0.00 2.09 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 2.31 0.00 106 F 7.91 4.49 0.00 3.16 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 0.00 107 I 8.11 3.88 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 1.08 0.00 0.00 108 S 8.10 4.21 0.00 4.23 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 0.00 109 E 8.39 4.03 0.00 2.18 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 2.37 2.40 0.00 110 A 8.13 4.09 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 0.00 111 I 8.08 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.72 1.05 0.00 0.00 112 I 7.95 3.84 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.90 1.12 0.00 0.00 113 H 8.37 4.18 0.00 3.43 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.88 3.60 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 1.01 0.00 0.00 1.00 0.00 0.00 115 L 7.96 3.78 0.00 0.52 0.62 0.75 0.79 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 0.00 116 H 7.93 4.35 0.00 3.50 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.19 0.00 3.90 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 0.00 118 R 7.92 4.05 0.00 1.61 1.59 0.00 3.13 0.00 0.00 2.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 119 H 8.25 5.04 0.00 3.18 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.34 0.00 2.20 2.25 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 2.06 1.93 0.00 121 G 8.13 3.65 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 0.00 0.00 0.00 122 N 8.23 4.96 0.00 2.80 2.94 0.00 0.00 6.68 7.02 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 0.00 123 F 7.81 4.99 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.69 3.89 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 0.00 0.00 0.00 125 A 8.38 3.87 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 0.00 126 D 7.97 4.20 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.84 3.25 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 129 G 8.12 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.03 3.86 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 0.00 131 M 8.31 3.98 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.50 4.29 0.00 2.88 2.93 0.00 0.00 6.89 6.67 0.00 0.00 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 K 8.17 3.85 0.00 1.95 1.71 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 7.99 3.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.31 4.10 0.00 1.75 1.83 1.00 1.10 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 0.00 136 E 8.61 3.96 0.00 2.14 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 2.34 2.61 0.00 137 L 8.11 3.94 0.00 1.87 1.98 1.04 0.98 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 0.00 138 F 8.42 4.19 0.00 3.05 3.22 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 0.00 139 R 8.21 3.40 0.00 1.94 1.82 0.00 3.14 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.96 0.00 140 K 8.13 3.85 0.00 1.78 1.98 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.43 7.81 141 D 8.13 4.33 0.00 2.77 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 0.00 142 I 7.59 3.36 1.24 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.15 -0.02 0.00 0.00 143 A 8.02 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 0.00 144 A 7.89 3.95 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 0.00 145 K 7.94 4.03 0.00 2.07 1.94 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.44 4.36 0.00 3.39 3.04 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 0.00 147 K 8.10 3.90 0.00 2.01 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 8.03 4.06 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 2.36 2.55 0.00 149 L 7.74 4.46 0.00 1.80 1.70 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.01 3.98 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 0.00 0.00 0.00 151 Y 7.98 4.24 0.00 2.49 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 0.00 152 Q 7.39 3.12 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 153 G 6.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00