NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3800 8.2893 120.3493 55.5150 32.0824 173.9982 2 N 4.4936 8.0622 121.1337 50.4236 37.9268 171.2866 3 E 3.9894 9.3322 125.3799 56.9921 29.2103 178.2897 4 L 4.4051 8.1294 124.4145 53.3833 40.6114 176.0187 5 E 4.5163 8.0081 123.2282 53.5697 32.0593 175.8070 6 G 3.7831 8.1283 112.5116 45.1994 0.0000 172.2266 7 Y 4.7437 8.8912 117.2352 56.0912 40.1301 176.8408 8 V 4.0692 8.5815 123.8129 63.4494 32.5168 177.5343 9 T 4.2249 8.1617 117.2793 66.0496 68.8400 174.9124 10 K 4.4076 7.9598 120.1070 56.6213 32.6620 177.3006 11 A 4.2889 8.2263 123.6700 53.5545 18.8701 182.1431 12 Q 3.4287 7.7878 111.8700 57.9435 31.6274 180.1404 13 S 4.0774 7.9995 110.7682 59.9271 63.1795 174.2803 14 F 4.2894 8.5914 119.8873 56.4784 39.8715 174.5179 15 R 4.5659 8.3848 121.7007 54.7144 32.1704 174.3392 16 F 5.6832 8.7279 123.1079 55.7689 43.8719 173.5851 17 A 4.7063 8.5506 120.5881 50.4700 22.4575 175.1719 18 I 4.8239 8.8125 122.9545 59.4597 40.2918 174.9888 19 V 4.5794 8.6298 125.6209 61.1814 34.3376 174.5992 20 V 5.3570 8.6980 120.5011 58.3635 35.2974 174.6466 21 A 5.1044 8.5035 125.7455 51.2388 19.6278 177.8494 22 R 4.2575 9.4620 122.5708 58.7971 30.6130 176.8239 23 F 4.1211 8.2507 119.8833 59.7750 39.8450 174.1652 24 N 4.3356 8.4875 123.1202 54.3496 36.2615 176.0130 25 E 4.5354 8.0432 121.7374 59.2986 29.3671 177.6646 26 F 3.9492 8.3714 118.7999 61.0102 39.4494 176.4825 27 V 4.1015 8.4304 117.3174 65.1573 31.9778 177.5722 28 T 3.8655 8.0179 109.0801 65.1570 68.2579 175.2882 29 R 4.0525 8.4754 122.0238 59.3815 29.9746 178.1130 30 R 3.8181 7.9838 116.7581 59.3467 30.1452 178.1721 31 L 3.8414 8.2726 120.1245 58.6328 41.9372 178.7403 32 M 3.8600 8.7022 118.0959 58.8436 32.1676 177.6568 33 E 4.0628 8.7389 119.1144 59.6152 29.5452 179.8768 34 G 3.4937 8.4140 105.4818 47.7113 0.0000 175.3300 35 A 3.6671 7.7976 124.0506 54.8171 18.4018 178.8680 36 L 4.0814 8.2591 118.7998 58.5868 41.9972 178.2863 37 D 4.3945 8.5773 117.7149 58.1140 41.1200 178.7833 38 T 3.8857 8.0128 115.9656 66.9773 68.2229 175.9946 39 F 4.3172 7.6312 117.8814 60.8129 39.2690 177.4686 40 K 4.1798 8.1685 117.1019 59.6882 31.7701 179.0891 41 K 3.8371 8.5586 118.6101 59.2565 32.5992 176.8717 42 Y 4.3194 8.6995 117.6040 58.5277 38.5494 176.0416 43 S 3.7953 8.1848 111.1689 58.8450 63.5110 172.8275 44 V 3.9709 7.8214 120.2237 62.1071 31.7099 175.7837 45 N 4.7208 8.3341 120.9493 53.6830 40.5412 174.1180 46 E 4.5090 9.0318 126.2263 56.3663 30.6900 174.4876 47 D 4.2961 8.8151 114.0658 59.7570 40.1688 173.8752 48 I 3.5600 6.5106 108.9583 58.3782 39.5221 174.4063 49 D 4.6418 8.7459 124.2990 54.0331 42.2199 175.4102 50 V 4.6282 8.3649 116.5075 59.5738 33.8915 175.0726 51 V 4.2755 8.8742 126.8856 60.9402 33.3144 174.4280 52 W 5.1631 8.8600 128.1839 55.9713 30.2596 176.1944 53 V 4.7188 9.0880 118.0296 58.8833 34.8768 174.9244 54 P 4.3478 0.0000 0.0000 65.5152 32.0124 176.4187 55 G 4.5404 8.2090 108.7148 42.3972 0.0000 173.1597 56 A 3.9171 8.6657 123.0248 55.3880 18.3216 179.4086 57 Y 3.9316 8.3449 116.0047 61.2042 38.6516 178.1894 58 E 4.1066 8.7451 119.5119 59.4181 29.5284 179.3383 59 L 3.9690 7.8151 119.2274 58.7250 41.7127 179.0585 60 G 3.6600 7.8666 101.1641 49.3992 0.0000 175.6162 61 V 3.6666 7.7343 112.0066 63.8733 32.1564 178.5679 62 T 3.8336 7.7602 114.7135 66.6690 68.2743 176.2678 63 A 3.8836 8.6018 122.5915 55.6088 18.4249 179.3793 64 Q 3.8533 8.4034 118.2399 59.9508 29.2197 178.8089 65 A 4.0137 8.7452 122.1610 54.6913 18.0999 179.1101 66 L 4.1518 8.1742 117.6565 57.8906 42.3038 180.2308 67 G 3.8141 8.9128 105.6698 47.9780 0.0000 176.0493 68 K 4.1494 8.1055 120.2465 58.2666 32.3286 178.9386 69 S 4.3554 8.3724 114.1385 58.6321 62.7066 175.1506 70 G 3.9248 7.9011 109.5191 46.3052 0.0000 174.7633 71 K 3.8029 7.8493 119.3353 58.1201 32.2118 176.8659 72 Y 4.7711 7.3863 114.2292 56.5411 40.4317 174.9174 73 H 4.8180 9.1878 118.4814 57.5396 30.0369 175.8073 74 A 4.9583 7.8804 118.1665 50.7145 22.7207 175.1002 75 I 4.9298 8.8975 115.7861 58.9221 40.7265 174.6653 76 V 4.6411 8.8526 125.7024 60.0932 33.8783 174.1149 77 C 5.1000 9.1178 122.8504 57.8693 30.6621 172.8173 78 L 5.5084 8.1328 123.5161 52.1270 44.9344 175.7899 79 G 4.2874 8.0734 107.2946 46.3352 0.0000 171.9467 80 A 5.2698 8.5522 121.4569 50.5676 22.1394 176.2490 81 V 4.2717 9.1875 123.2441 59.9117 33.6252 175.2242 82 V 4.2720 8.4658 119.5237 60.6142 32.5723 177.6676 83 K 3.5958 8.5399 127.3995 56.7462 29.2268 177.0025 84 G 3.7942 8.5761 113.3317 47.2640 0.0000 171.6222 85 D 4.6243 7.8750 116.8104 54.5672 43.0743 177.7527 86 T 4.2645 8.5247 115.5320 61.3696 70.7637 176.0288 87 S 4.9774 8.5328 116.8514 60.0730 62.6409 175.1964 88 H 3.8990 7.9445 122.6235 60.1526 29.4487 175.3189 89 Y 4.1532 8.1722 120.4312 61.4645 38.5007 177.6830 90 D 4.1924 8.5171 118.0927 58.0422 41.0576 178.7477 91 A 3.8479 8.3324 120.0400 55.8923 18.3429 179.4786 92 V 3.6176 8.4107 115.7487 66.0222 31.6168 178.3215 93 V 3.4434 8.1274 117.9051 66.4351 31.1878 177.7930 94 N 4.2485 8.8308 116.3085 56.3325 38.3550 177.2316 95 S 3.9434 8.1803 116.0967 62.1318 63.0033 176.3707 96 A 3.9453 8.6769 123.5528 55.3409 17.9597 179.1313 97 S 4.2957 8.7440 110.3527 61.7706 62.5056 176.5575 98 S 4.1098 8.8874 116.1982 61.6188 62.0850 176.1708 99 G 3.6437 8.5594 108.5661 48.1822 0.0000 175.3690 100 V 3.6616 7.9681 121.1218 65.8651 31.4932 177.3524 101 L 3.9392 8.2372 120.0266 57.6225 41.8052 178.7476 102 S 4.0897 8.7817 114.7949 62.0690 63.0607 176.5210 103 A 4.0919 8.6510 123.2457 55.3594 18.0006 179.5019 104 G 4.3128 8.2886 102.9354 47.8189 0.0000 175.4607 105 L 4.0278 7.7757 120.0212 57.6145 41.8038 179.0757 106 N 4.5090 8.6114 115.5765 56.4162 38.6220 177.4043 107 S 4.3830 8.7262 114.6009 58.9975 63.3565 175.4002 108 G 3.9733 8.0556 109.3408 45.6579 0.0000 172.8332 109 V 4.5483 7.8449 120.2116 59.8614 34.2761 173.2268 110 P 4.5382 0.0000 0.0000 63.1989 32.3153 174.7796 111 C 5.2060 8.5899 122.2711 57.8965 30.6992 173.7856 112 V 3.7542 8.8845 125.8213 62.4925 32.3316 175.4095 113 F 4.4707 8.9855 131.5979 56.4325 37.8449 175.5078 114 G 4.1869 8.7138 118.4412 44.1301 0.0000 170.7337 115 V 4.8043 6.4203 116.9882 59.5738 34.3790 177.3132 116 L 4.4185 8.9212 125.8644 54.1945 42.9099 177.1781 117 T 5.3295 7.9280 112.1626 60.3684 68.2118 173.1128 118 C 4.3027 8.1719 119.3232 60.4420 30.2404 174.6324 119 D 4.5031 9.0025 120.0636 56.0280 39.6250 176.8003 120 N 4.7346 9.6115 116.3679 51.8698 39.4697 175.8131 121 M 3.9928 8.8187 119.5514 59.1831 32.1666 177.7836 122 D 4.3643 8.2201 117.2984 57.7735 41.0166 178.1162 123 Q 3.9879 8.7375 116.8100 59.0323 28.9965 178.6732 124 A 4.1654 7.6919 120.2551 55.5522 18.3481 179.4384 125 I 3.7380 8.0327 118.1873 65.1725 37.1895 178.2977 126 N 4.4279 8.1567 116.8087 56.1849 38.4097 177.4769 127 R 4.0457 8.5607 119.1189 57.4732 30.9002 176.8037 128 A 4.4606 7.5790 123.7096 51.4500 18.2908 177.4917 129 G 3.9081 9.0502 105.9888 45.7829 0.0000 173.9096 130 G 4.2282 7.8213 111.1258 44.0305 0.0000 175.4437 131 K 4.1963 8.2758 120.3347 58.1339 32.5384 177.2289 132 A 4.4885 7.9949 121.4516 51.8023 20.1460 178.5303 133 G 3.7548 8.8599 104.7525 45.3498 0.0000 173.2693 134 N 5.7236 8.0811 119.9800 50.1314 41.4214 175.4040 135 K 4.1556 8.1840 131.3248 58.9496 32.2604 177.9539 136 G 3.7135 8.2341 104.9224 48.0672 0.0000 174.8202 137 A 3.7758 8.4027 123.3950 54.5947 17.9279 179.2727 138 E 3.7358 7.9908 116.7227 59.8235 29.0903 179.8384 139 S 3.9903 8.5298 114.8794 61.5270 62.8291 176.4534 140 A 3.3744 7.6152 123.1470 54.9107 17.9569 179.0408 141 L 3.3444 7.4903 118.5692 58.7055 42.0228 179.4494 142 T 3.6948 8.0614 115.3562 66.3868 68.2588 176.1293 143 A 3.8875 8.0117 123.0321 55.8165 18.2637 179.1172 144 I 3.6355 7.5625 117.7709 64.7071 37.1576 177.7415 145 E 3.8293 8.3442 119.3253 59.9382 29.4531 179.3957 146 M 3.8241 8.4121 118.2874 58.4582 31.7985 178.1017 147 A 3.8433 7.8303 119.5105 55.3259 18.7743 178.9039 148 S 4.2448 7.9578 110.6889 61.6136 62.4018 176.2726 149 L 4.0090 8.4075 122.9347 58.6621 41.7674 179.0425 150 F 4.4875 8.7872 117.4294 59.2289 39.8510 174.7517 151 E 5.1456 7.9611 118.3381 52.8072 28.6587 173.9086 152 H 4.9139 7.8410 129.5669 56.8755 32.1605 174.6726 153 H 4.4754 8.9502 113.6752 57.2417 29.0350 175.0018 154 L 3.9822 7.3149 120.8761 53.1487 41.9558 173.9798 155 K 4.1231 7.5211 120.8526 56.8067 32.7193 175.9682 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 M 8.29 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.06 4.49 0.00 2.91 2.78 0.00 0.00 6.33 6.77 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 3 E 9.33 3.99 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 2.33 0.00 4 L 8.13 4.41 0.00 1.68 1.82 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.01 4.52 0.00 1.79 1.58 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 2.03 2.17 0.00 6 G 8.13 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.89 4.74 0.00 2.99 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 8 V 8.58 4.07 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 0.97 0.00 0.00 0.87 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.96 4.41 0.00 1.95 1.89 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.62 1.85 7.81 11 A 8.23 4.29 1.59 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 0.00 0.00 12 Q 7.79 3.43 0.00 2.32 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.08 0.00 3.62 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 14 F 8.59 4.29 0.00 2.61 2.29 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 15 R 8.38 4.57 0.00 1.83 1.63 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 16 F 8.73 5.68 0.00 2.49 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 17 A 8.55 4.71 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.81 4.82 1.74 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 1.17 0.90 0.74 0.00 0.00 19 V 8.63 4.58 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 0.98 0.00 0.00 0.81 0.00 0.00 20 V 8.70 5.36 1.75 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 0.48 0.00 0.00 -0.61 0.00 0.00 21 A 8.50 5.10 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 22 R 9.46 4.26 0.00 1.95 2.14 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.00 23 F 8.25 4.12 0.00 3.31 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.49 4.34 0.00 3.25 3.06 0.00 0.00 6.72 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 25 E 8.04 4.54 0.00 2.34 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 2.36 2.28 0.00 26 F 8.37 3.95 0.00 3.11 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 27 V 8.43 4.10 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 1.01 0.00 0.00 1.16 0.00 0.00 28 T 8.02 3.87 4.35 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 1.34 0.00 0.00 29 R 8.48 4.05 0.00 2.19 1.99 0.00 3.36 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.98 3.82 0.00 2.10 1.93 0.00 3.26 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.27 3.84 0.00 1.87 1.72 0.92 0.88 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 32 M 8.70 3.86 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.60 0.00 33 E 8.74 4.06 0.00 2.15 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 2.36 2.58 0.00 34 G 8.41 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 35 A 7.80 3.67 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.26 4.08 0.00 2.00 1.71 1.01 1.06 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 37 D 8.58 4.39 0.00 2.80 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 38 T 8.01 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 39 F 7.63 4.32 0.00 3.35 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.17 4.18 0.00 1.98 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.56 3.84 0.00 2.07 2.30 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 42 Y 8.70 4.32 0.00 3.31 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.18 3.80 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 44 V 7.82 3.97 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 0.90 0.00 0.00 1.30 0.00 0.00 45 N 8.33 4.72 0.00 2.75 2.75 0.00 0.00 6.93 7.53 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 46 E 9.03 4.51 0.00 2.04 1.84 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 2.14 2.24 0.00 47 D 8.82 4.30 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 48 I 6.51 3.56 1.71 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 1.40 1.55 0.51 0.00 0.00 49 D 8.75 4.64 0.00 2.61 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 50 V 8.36 4.63 1.77 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 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.87 4.28 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 1.07 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.16 0.00 3.24 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 53 V 9.09 4.72 2.17 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 0.81 0.00 0.00 1.11 0.00 0.00 54 P 0.00 4.35 0.00 2.20 2.37 0.00 3.72 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 2.32 2.05 0.00 55 G 8.21 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.67 3.92 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 57 Y 8.34 3.93 0.00 3.01 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 58 E 8.75 4.11 0.00 2.38 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 2.42 2.50 0.00 59 L 7.82 3.97 0.00 1.75 1.68 0.83 0.73 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 60 G 7.87 3.66 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 0.00 0.00 0.00 61 V 7.73 3.67 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 0.81 0.00 0.00 1.00 0.00 0.00 62 T 7.76 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 A 8.60 3.88 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 64 Q 8.40 3.85 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.75 4.01 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 66 L 8.17 4.15 0.00 1.76 1.71 0.70 1.07 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 67 G 8.91 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 68 K 8.11 4.15 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.37 4.36 0.00 4.07 4.19 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 0.00 0.00 0.00 70 G 7.90 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 0.00 0.00 0.00 71 K 7.85 3.80 0.00 0.79 1.22 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.38 7.81 72 Y 7.39 4.77 0.00 2.93 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 73 H 9.19 4.82 0.00 2.84 3.44 0.00 5.89 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 74 A 7.88 4.96 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 75 I 8.90 4.93 1.78 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 1.27 1.34 0.77 0.00 0.00 76 V 8.85 4.64 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 0.90 0.00 0.00 0.82 0.00 0.00 77 C 9.12 5.10 0.00 2.67 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 78 L 8.13 5.51 0.00 1.40 1.40 0.79 0.90 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 79 G 8.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.55 5.27 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 81 V 9.19 4.27 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 0.85 0.00 0.00 0.86 0.00 0.00 82 V 8.47 4.27 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.54 3.60 0.00 0.79 1.43 0.00 0.84 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.64 7.81 84 G 8.58 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 85 D 7.88 4.62 0.00 2.63 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 0.00 0.00 0.00 0.00 86 T 8.52 4.26 4.30 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 1.24 0.00 0.00 87 S 8.53 4.98 0.00 4.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.94 3.90 0.00 3.28 3.43 0.00 5.62 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 89 Y 8.17 4.15 0.00 3.12 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 90 D 8.52 4.19 0.00 2.91 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 91 A 8.33 3.85 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 92 V 8.41 3.62 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 93 V 8.13 3.44 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.13 0.00 0.00 94 N 8.83 4.25 0.00 2.84 2.79 0.00 0.00 7.05 7.17 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 95 S 8.18 3.94 0.00 3.72 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 96 A 8.68 3.95 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 97 S 8.74 4.30 0.00 3.73 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 98 S 8.89 4.11 0.00 3.82 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 99 G 8.56 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 0.00 100 V 7.97 3.66 2.46 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 1.10 0.00 0.00 0.96 0.00 0.00 101 L 8.24 3.94 0.00 1.84 1.71 0.89 0.82 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 0.00 102 S 8.78 4.09 0.00 3.98 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 0.00 103 A 8.65 4.09 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 0.00 104 G 8.29 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 0.00 0.00 0.00 0.00 105 L 7.78 4.03 0.00 1.82 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.61 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.13 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 0.00 107 S 8.73 4.38 0.00 4.02 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 0.00 108 G 8.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.84 4.55 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 1.08 0.00 0.00 1.10 0.00 0.00 110 P 0.00 4.54 0.00 1.95 1.73 0.00 3.71 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 1.29 1.38 0.00 111 C 8.59 5.21 0.00 2.83 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 0.00 112 V 8.88 3.75 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 0.82 0.00 0.00 0.87 0.00 0.00 113 F 8.99 4.47 0.00 3.08 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 0.00 114 G 8.71 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 115 V 6.42 4.80 1.76 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 -0.87 0.00 0.00 0.74 0.00 0.00 116 L 8.92 4.42 0.00 1.63 1.66 0.95 0.29 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 0.00 117 T 7.93 5.33 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 1.27 0.00 0.00 118 C 8.17 4.30 0.00 2.97 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 0.00 119 D 9.00 4.50 0.00 2.68 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 0.00 120 N 9.61 4.73 0.00 2.89 2.91 0.00 0.00 6.77 8.26 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 0.00 121 M 8.82 3.99 0.00 2.12 2.12 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 2.65 2.60 0.00 122 D 8.22 4.36 0.00 2.82 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 0.00 123 Q 8.74 3.99 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 124 A 7.69 4.17 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.03 3.74 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 1.02 0.00 0.00 126 N 8.16 4.43 0.00 3.01 2.88 0.00 0.00 7.03 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.56 4.05 0.00 1.92 1.98 0.00 3.28 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.58 4.46 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 0.00 129 G 9.05 3.91 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 0.00 130 G 7.82 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 0.00 0.00 0.00 0.00 131 K 8.28 4.20 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.39 7.81 132 A 7.99 4.49 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 0.00 133 G 8.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.08 5.72 0.00 2.76 2.60 0.00 0.00 6.78 6.36 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 0.00 135 K 8.18 4.16 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.23 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.40 3.78 1.25 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 0.00 0.00 138 E 7.99 3.74 0.00 2.13 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 2.26 2.43 0.00 139 S 8.53 3.99 0.00 3.83 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 0.00 140 A 7.62 3.37 0.36 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 0.00 141 L 7.49 3.34 0.00 1.43 1.64 0.71 0.31 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 0.00 142 T 8.06 3.69 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 143 A 8.01 3.89 1.19 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 0.00 0.00 0.00 0.00 0.00 144 I 7.56 3.64 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.92 0.00 0.00 145 E 8.34 3.83 0.00 1.94 2.00 0.00 0.00 0.00 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 2.31 0.00 146 M 8.41 3.82 0.00 1.65 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.83 3.84 1.13 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 0.00 0.00 0.00 0.00 0.00 148 S 7.96 4.24 0.00 3.84 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 0.00 149 L 8.41 4.01 0.00 1.85 2.04 0.96 1.18 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 0.00 150 F 8.79 4.49 0.00 3.41 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 0.00 151 E 7.96 5.15 0.00 2.25 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 2.41 2.37 0.00 152 H 7.84 4.91 0.00 3.39 3.69 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.95 4.48 0.00 3.33 3.72 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.31 3.98 0.00 1.75 1.62 0.85 0.64 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 0.00 155 K 7.52 4.12 0.00 1.83 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.41 7.81