NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1238 8.3149 120.1140 55.2513 32.8606 175.9697 5 P 3.7235 0.0000 0.0000 60.9949 33.0219 175.6387 6 I 3.5178 7.4288 119.4282 63.9252 38.2757 177.8105 7 W 4.0193 7.5711 117.1801 59.6142 28.1217 177.8269 8 E 3.9776 7.3678 119.6032 58.6219 28.9497 178.6724 9 Q 3.8837 7.7376 118.3476 58.9290 28.7194 178.7380 10 I 3.7034 7.5382 120.8644 64.6269 37.0230 177.8952 11 G 3.4505 8.2694 106.5366 47.6221 0.0000 175.3266 12 S 4.4187 7.9056 117.6320 60.4474 63.2146 177.1487 13 S 4.1138 7.7231 117.2857 61.8388 62.6467 176.4563 14 F 3.9676 8.5001 123.2290 61.6886 39.1368 177.3351 15 I 3.6807 8.1641 119.3979 64.2538 36.9062 178.2375 16 Q 4.0198 8.4185 120.7155 59.6249 28.9755 177.9096 17 H 4.1046 8.1350 119.2892 59.1315 29.7769 176.6886 18 Y 3.5613 7.6142 121.3986 60.8031 38.4954 177.4498 19 Y 4.0551 7.6591 117.4577 60.8285 37.8747 178.1597 20 Q 3.9494 8.0984 120.6329 58.9640 29.2209 177.9528 21 L 3.7566 7.6647 121.2700 58.0888 41.9171 178.2061 22 F 3.5083 7.7372 119.4315 61.7628 39.2378 176.6854 23 D 4.7565 8.3474 117.0675 57.3820 40.6932 178.4803 24 N 4.7303 8.1756 116.1676 54.6448 39.2715 175.9703 25 D 4.2804 8.3364 124.5161 53.5367 42.4112 175.7392 26 R 3.8123 8.0970 121.7764 57.1576 29.5139 177.8467 27 T 3.9898 7.7173 108.1893 63.2399 69.2779 174.9726 28 Q 4.4154 7.5484 120.5845 55.8910 28.8211 175.6027 29 L 4.4034 7.6286 119.2171 54.9712 42.5479 178.3551 30 G 3.6248 7.9946 107.5523 48.7556 0.0000 176.0014 31 A 4.1287 8.0631 122.0083 54.4684 18.7509 178.1345 32 I 4.0776 7.4287 108.3499 61.9269 38.2805 175.0310 33 Y 5.1775 7.8225 118.2407 56.1491 41.1300 174.0704 34 I 4.8516 8.8611 114.1823 59.4631 40.2411 175.5103 35 D 4.5184 8.7899 118.0216 56.3396 40.8627 176.9208 36 A 4.5095 7.8401 120.2546 52.3042 20.1149 177.3976 37 S 4.6072 8.0347 112.6951 59.4028 64.3471 173.0556 38 C 5.2888 8.9710 121.5634 57.9649 30.4855 172.4615 39 L 5.3162 9.1146 126.2060 53.5845 44.8275 175.1524 40 T 5.0254 9.1507 123.1424 61.9266 70.9079 173.1422 41 W 4.8305 9.6553 135.0000 55.3022 31.6180 175.8149 42 E 3.7543 9.4166 130.9027 57.3565 26.7931 176.7477 43 G 4.0655 8.0020 103.9009 46.0329 0.0000 172.9594 44 Q 4.3421 7.9970 119.4907 55.2359 29.7350 174.4081 45 Q 5.1638 8.3453 121.1133 54.3311 30.5982 174.9791 46 F 4.8372 9.7323 122.6196 55.5438 43.0416 173.9279 47 Q 4.8344 8.6113 122.2952 55.4539 31.6415 175.8557 48 G 4.1345 9.6345 112.2743 45.9599 0.0000 173.7544 49 K 3.9321 8.1250 118.9317 59.9051 32.1843 178.6593 50 A 3.9558 7.9419 119.8214 55.1447 18.5917 179.3111 51 A 4.0127 7.9644 118.8314 55.3306 18.4731 179.8233 52 I 3.3617 7.7933 118.4090 64.2094 37.0911 178.8081 53 V 3.4126 7.6672 119.1129 65.8442 31.4964 177.2382 54 E 3.7269 7.9979 119.0549 59.3593 29.1284 178.5568 55 K 3.3725 7.1424 117.6308 59.6188 31.8261 178.4061 56 L 3.5442 7.7290 119.2472 57.6189 41.2137 179.7003 57 S 4.0104 8.0387 114.8155 60.7468 62.8265 176.0825 58 S 4.1940 7.4546 115.2058 58.5999 63.4113 174.7024 59 L 3.7218 6.4693 122.7088 54.5657 41.9948 176.4404 60 P 4.4948 0.0000 0.0000 60.8541 30.0469 174.7533 61 F 5.3622 6.5781 115.2981 54.9989 41.4405 175.6637 62 Q 4.3614 9.3923 121.7057 57.6930 29.4707 176.4391 63 K 4.8391 7.9226 115.4178 55.6112 35.9861 175.0952 64 I 5.4901 8.1405 121.0773 59.3017 41.4983 173.5880 65 Q 4.8043 8.4480 127.5866 54.7536 32.4065 173.3347 66 H 5.5595 9.7358 123.0846 54.0718 32.1437 173.5129 67 S 4.7478 9.3989 114.5643 56.8330 66.6311 172.7458 68 I 4.3580 8.3190 122.6378 60.8252 37.7431 175.5965 69 T 4.3795 8.5829 123.0248 65.2528 69.9689 175.3496 70 A 4.6707 7.4120 120.5691 50.7450 22.8510 175.5098 71 Q 4.7780 8.6399 119.1808 54.7625 31.7541 173.4687 72 D 5.0635 9.1436 124.8557 52.6191 43.4775 175.3329 73 H 5.5353 8.7882 119.1920 54.3441 32.2440 173.0813 74 Q 4.4357 8.7724 119.8764 53.6227 33.5090 172.3928 75 P 4.7473 0.0000 0.0000 62.7590 32.6072 175.5377 76 T 4.4913 8.9358 112.6722 59.3003 71.3127 173.7613 77 P 4.1932 0.0000 0.0000 65.2393 31.3804 177.2554 78 D 4.7073 8.0723 115.7966 53.8878 40.8347 176.1828 79 S 4.0228 8.2036 114.0266 60.0690 60.4881 169.8115 80 C 5.2300 7.8797 116.0746 58.3842 31.2840 172.9392 81 I 4.7491 8.8695 122.0476 59.6469 39.5896 174.4853 82 I 4.6817 8.9039 128.1346 59.6304 39.7942 174.2079 83 S 5.3186 9.6565 126.6034 56.9487 65.7537 172.8013 84 M 5.2042 9.0754 124.8040 53.6821 35.0241 174.2155 85 V 4.9454 9.2600 126.2950 60.9960 34.6568 174.4989 86 V 4.4143 8.6051 127.1118 60.2048 33.6842 174.4300 87 G 3.6851 7.5344 113.8071 45.2731 0.0000 170.8040 88 Q 5.4297 9.0697 118.2470 54.3113 33.6314 174.4272 89 L 5.0936 9.1601 121.1879 54.7684 45.2158 175.0828 90 K 4.5309 8.5852 119.8086 55.5695 35.0947 174.2948 91 A 4.5033 8.6205 130.2181 52.0136 20.6647 176.9681 92 D 4.1620 9.2831 121.4222 55.7483 41.5337 175.2860 93 E 4.6870 9.0454 123.7895 56.9350 30.1573 175.4531 94 D 4.6197 8.2813 119.4518 53.0544 41.5140 174.6459 95 P 4.3693 0.0000 0.0000 62.8200 31.9071 176.5054 96 I 4.0702 8.2065 121.5431 62.1298 37.7288 175.3992 97 M 4.8326 8.9629 125.6807 53.0969 35.7458 175.7351 98 G 4.1420 8.5937 109.1454 46.5605 0.0000 172.1166 99 F 5.3827 8.8955 115.1060 55.5020 42.0669 172.9557 100 H 5.2733 9.3113 117.0565 54.1717 32.6113 172.4409 101 Q 5.1143 9.0585 122.9343 54.7179 33.0273 172.9266 102 M 5.1636 8.9693 125.6715 53.7701 35.3596 174.2003 103 F 5.4530 9.5723 123.8190 55.6000 43.7626 173.4608 104 L 5.0587 9.1827 124.8355 53.4300 44.4316 174.8025 105 L 5.1896 9.3311 127.4501 52.9925 44.4252 175.6172 106 K 4.8805 8.9520 123.7866 54.8858 35.8832 175.0105 107 N 5.0267 8.1963 126.1865 51.8723 37.7305 172.4476 108 I 4.1798 7.7332 124.5279 59.9717 39.7989 175.6148 109 N 4.2800 9.4423 124.5253 55.0534 36.9629 172.9423 110 D 4.4033 8.0134 108.3548 54.7426 39.1461 173.9581 111 A 4.6493 7.1907 117.5327 50.5502 23.3179 176.6926 112 W 4.6434 8.9043 120.7298 55.9631 29.8226 176.3905 113 V 4.4587 8.4374 119.0704 59.9087 33.6434 175.0828 114 C 4.7440 9.0152 125.3535 59.5651 31.6562 173.1945 115 T 4.4882 9.5580 117.2603 63.2882 70.5075 174.5772 116 N 5.6709 8.1835 118.9239 51.0917 42.3793 173.1830 117 D 5.2916 9.2130 122.2484 53.0361 45.4318 173.9376 118 M 5.3160 9.0391 124.4622 53.8523 36.2621 173.8037 119 F 5.3020 9.2504 125.9603 56.5344 43.1198 174.0533 120 R 4.4264 7.4834 122.2693 54.4476 34.6573 174.8403 121 L 4.1215 8.2119 122.9360 54.1952 42.6297 177.6108 122 A 4.4004 8.1259 125.1644 50.5286 16.5605 176.1798 123 L 4.5273 7.4786 119.2582 52.4693 44.9224 176.4290 124 H 5.1394 8.3303 122.2204 54.6327 31.1271 173.1016 125 N 4.5961 8.6855 115.1540 53.9217 40.2997 174.6947 126 F 4.7987 8.0021 116.6859 55.4919 40.8509 175.7515 127 G 3.7957 8.7868 113.4375 45.7487 0.0000 173.2825 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 4 K 8.31 4.12 0.00 1.66 1.73 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.36 7.81 5 P 0.00 3.72 0.00 0.49 0.49 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 6 I 7.43 3.52 1.80 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 1.76 1.20 1.04 0.00 0.00 7 W 7.57 4.02 0.00 3.49 3.38 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 8 E 7.37 3.98 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 9 Q 7.74 3.88 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 10 I 7.54 3.70 1.34 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 -0.03 0.00 0.00 11 G 8.27 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 0.00 0.00 0.00 12 S 7.91 4.42 0.00 3.94 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 13 S 7.72 4.11 0.00 3.95 3.94 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 0.00 0.00 0.00 14 F 8.50 3.97 0.00 3.09 3.19 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 15 I 8.16 3.68 2.16 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 1.29 0.00 0.00 16 Q 8.42 4.02 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 17 H 8.13 4.10 0.00 3.20 3.13 0.00 5.64 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 18 Y 7.61 3.56 0.00 2.01 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 0.00 0.00 0.00 19 Y 7.66 4.06 0.00 3.22 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 20 Q 8.10 3.95 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 21 L 7.66 3.76 0.00 1.72 1.35 0.87 0.72 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 22 F 7.74 3.51 0.00 2.57 2.94 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 0.00 0.00 0.00 23 D 8.35 4.76 0.00 2.75 2.85 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 24 N 8.18 4.73 0.00 2.87 2.83 0.00 0.00 6.81 7.84 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 25 D 8.34 4.28 0.00 2.59 2.42 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 26 R 8.10 3.81 0.00 1.06 1.12 0.00 2.39 0.00 0.00 2.92 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 0.00 27 T 7.72 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 28 Q 7.55 4.42 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 29 L 7.63 4.40 0.00 1.83 1.68 0.68 0.93 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 30 G 7.99 3.62 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 0.00 31 A 8.06 4.13 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 32 I 7.43 4.08 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.21 0.92 0.00 0.00 33 Y 7.82 5.18 0.00 3.16 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 34 I 8.86 4.85 1.93 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 1.40 0.90 0.96 0.00 0.00 35 D 8.79 4.52 0.00 2.72 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 36 A 7.84 4.51 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 37 S 8.03 4.61 0.00 3.94 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 38 C 8.97 5.29 0.00 3.06 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 39 L 9.11 5.32 0.00 1.74 1.60 1.33 0.62 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 40 T 9.15 5.03 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 41 W 9.66 4.83 0.00 3.62 3.24 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 42 E 9.42 3.75 0.00 2.14 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 2.07 2.41 0.00 43 G 8.00 4.07 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 0.00 44 Q 8.00 4.34 0.00 2.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 45 Q 8.35 5.16 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 46 F 9.73 4.84 0.00 2.91 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 47 Q 8.61 4.83 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.70 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 48 G 9.63 4.13 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 0.00 49 K 8.12 3.93 0.00 1.90 1.84 0.00 2.11 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.72 7.81 50 A 7.94 3.96 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 51 A 7.96 4.01 1.54 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 52 I 7.79 3.36 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.35 0.00 0.00 53 V 7.67 3.41 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 0.92 0.00 0.00 1.04 0.00 0.00 54 E 8.00 3.73 0.00 2.09 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 2.23 2.28 0.00 55 K 7.14 3.37 0.00 0.79 0.95 0.00 1.37 0.00 0.00 1.37 0.00 0.00 3.43 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.37 0.70 7.81 56 L 7.73 3.54 0.00 1.37 1.22 1.00 0.15 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 57 S 8.04 4.01 0.00 3.62 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 58 S 7.45 4.19 0.00 3.93 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 59 L 6.47 3.72 0.00 0.81 1.01 0.57 0.88 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 60 P 0.00 4.49 0.00 2.14 2.00 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 61 F 6.58 5.36 0.00 3.05 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 62 Q 9.39 4.36 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 63 K 7.92 4.84 0.00 1.80 1.88 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 64 I 8.14 5.49 1.15 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.17 1.18 0.00 0.00 65 Q 8.45 4.80 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 66 H 9.74 5.56 0.00 2.96 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.40 4.75 0.00 3.78 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 68 I 8.32 4.36 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.92 0.00 0.00 69 T 8.58 4.38 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 1.17 0.00 0.00 70 A 7.41 4.67 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.64 4.78 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 72 D 9.14 5.06 0.00 2.56 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 73 H 8.79 5.54 0.00 3.22 3.35 0.00 5.68 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 74 Q 8.77 4.44 0.00 1.90 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 75 P 0.00 4.75 0.00 1.66 1.31 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 76 T 8.94 4.49 4.22 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 1.25 0.00 0.00 77 P 0.00 4.19 0.00 2.05 2.14 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 78 D 8.07 4.71 0.00 2.67 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 79 S 8.20 4.02 0.00 4.08 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 80 C 7.88 5.23 0.00 2.95 2.94 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 0.00 0.00 0.00 81 I 8.87 4.75 1.64 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.82 0.88 0.00 0.00 82 I 8.90 4.68 1.86 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 1.24 1.46 0.94 0.00 0.00 83 S 9.66 5.32 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.08 5.20 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 85 V 9.26 4.95 2.35 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 0.83 0.00 0.00 1.33 0.00 0.00 86 V 8.61 4.41 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 0.77 0.00 0.00 0.84 0.00 0.00 87 G 7.53 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 88 Q 9.07 5.43 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 89 L 9.16 5.09 0.00 1.42 1.42 0.86 0.54 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 90 K 8.59 4.53 0.00 1.79 1.62 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.53 7.81 91 A 8.62 4.50 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 92 D 9.28 4.16 0.00 2.79 1.89 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 93 E 9.05 4.69 0.00 1.93 1.92 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 2.21 2.24 0.00 94 D 8.28 4.62 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.37 0.00 2.04 2.01 0.00 3.69 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 2.04 2.13 0.00 96 I 8.21 4.07 1.87 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 1.33 0.46 0.91 0.00 0.00 97 M 8.96 4.83 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 98 G 8.59 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.90 5.38 0.00 2.93 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 0.00 100 H 9.31 5.27 0.00 2.92 3.08 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.06 5.11 0.00 2.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 1.73 2.56 0.00 102 M 8.97 5.16 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 103 F 9.57 5.45 0.00 2.91 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 0.00 104 L 9.18 5.06 0.00 1.78 1.57 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.33 5.19 0.00 1.55 1.58 0.45 -1.29 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 0.00 106 K 8.95 4.88 0.00 1.86 1.61 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.39 7.81 107 N 8.20 5.03 0.00 1.44 1.93 0.00 0.00 7.21 7.94 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 0.00 108 I 7.73 4.18 1.83 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 1.25 0.72 0.88 0.00 0.00 109 N 9.44 4.28 0.00 2.77 2.78 0.00 0.00 7.21 8.47 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 0.00 110 D 8.01 4.40 0.00 2.82 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 0.00 111 A 7.19 4.65 1.23 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 0.00 112 W 8.90 4.64 0.00 3.13 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 0.00 113 V 8.44 4.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 114 C 9.02 4.74 0.00 2.78 2.88 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 0.00 115 T 9.56 4.49 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 1.27 0.00 0.00 116 N 8.18 5.67 0.00 2.69 2.78 0.00 0.00 6.49 8.08 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 0.00 117 D 9.21 5.29 0.00 3.09 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 0.00 118 M 9.04 5.32 0.00 1.94 1.87 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 2.55 2.51 0.00 119 F 9.25 5.30 0.00 2.97 2.45 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 0.00 120 R 7.48 4.43 0.00 1.53 1.46 0.00 3.24 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 121 L 8.21 4.12 0.00 1.43 1.51 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.13 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.48 4.53 0.00 1.52 1.50 0.91 1.09 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 0.00 124 H 8.33 5.14 0.00 3.12 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.69 4.60 0.00 2.05 2.25 0.00 0.00 6.64 7.45 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 0.00 126 F 8.00 4.80 0.00 3.04 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 0.00 127 G 8.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00