NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3204 0.0000 0.0000 62.1292 32.8842 176.4460 6 R 4.0148 8.1557 119.5275 56.5820 30.8163 174.8164 7 R 4.8993 8.3730 121.5105 54.4201 32.0638 174.8666 8 Y 4.9380 8.6022 121.7695 55.0253 41.9188 174.3764 9 K 4.8546 8.5960 119.3415 55.1027 33.9555 176.1205 10 I 4.3494 8.3937 125.1794 59.3329 40.7464 174.5269 11 F 5.0061 8.3974 125.2313 57.1786 39.8798 175.1239 12 M 4.5103 8.8616 123.3495 53.5177 34.3625 175.5797 13 D 4.7936 8.5011 120.4798 53.6107 42.4593 176.6792 14 K 4.2939 8.6421 121.8525 58.5786 32.2271 177.7141 15 K 4.3824 8.1206 119.5122 55.4364 32.9211 175.7783 16 K 4.7258 8.8636 125.3493 55.3952 34.9888 175.8994 17 R 5.1017 9.4200 122.2524 55.0290 32.0874 175.1255 18 I 4.9664 9.1987 126.2625 59.3710 39.8324 174.8750 19 A 4.9397 8.7947 129.8738 51.0096 20.1876 175.7031 20 L 5.1237 9.0197 123.4290 53.0475 44.5336 175.8991 21 I 4.6384 8.7268 123.8608 59.4910 41.6333 174.3002 22 A 5.4694 8.3389 126.3739 50.5419 22.0936 175.7756 23 H 4.6277 9.6565 119.8519 56.0842 29.8377 176.5643 24 D 4.3959 9.2876 120.7483 57.9132 40.7362 179.0327 25 R 4.3219 8.0276 114.2343 57.2748 30.5158 177.4757 26 R 4.7845 8.1332 117.0608 55.7359 30.8927 177.7537 27 K 3.9237 7.8609 120.0439 59.8997 32.1811 179.1679 28 R 4.0079 8.0311 117.4391 59.2699 30.0586 178.5944 29 D 4.5341 8.2387 118.2928 57.5209 40.9050 178.5822 30 L 3.8662 8.2005 120.7885 57.8022 42.0107 178.4939 31 L 4.0151 7.9950 120.4375 58.4976 41.9895 178.9915 32 E 4.0833 8.4540 118.3690 58.9963 29.1466 179.2138 33 W 4.1836 8.3596 127.7456 60.4725 31.2449 177.9300 34 V 3.5474 8.5536 118.6921 66.1052 30.7805 177.7848 35 S 4.0799 8.0256 111.6166 61.4691 62.2573 175.6229 36 F 4.2945 8.1088 121.9300 59.6417 39.4036 175.3414 37 N 4.6956 7.2775 115.6290 52.6867 39.2828 176.9165 38 L 3.9950 7.8592 121.1995 57.6793 41.4648 178.8440 39 G 3.6718 7.8804 104.3018 48.3416 0.0000 175.3286 40 T 4.1014 7.6350 117.5600 66.2600 68.6973 177.0476 41 L 4.1792 7.9581 121.0181 57.4350 41.3794 179.4714 42 S 4.2620 8.2745 113.7721 60.6506 63.0236 175.9612 43 K 4.1634 7.7408 120.3854 57.2904 32.0468 175.5364 44 H 5.0542 7.6606 115.4101 53.7104 32.7749 172.4681 45 E 4.5608 9.0282 120.5683 55.0614 31.1046 174.5092 46 L 5.3877 8.3948 126.1673 53.2972 44.8780 174.9601 47 Y 5.3158 9.2068 119.7830 56.5666 42.4719 174.2355 48 A 5.2948 9.1835 122.4270 50.9297 23.2909 176.0923 49 T 4.1599 8.6083 110.4141 61.6993 70.1724 175.2928 50 G 3.8740 8.7862 109.3604 48.4131 0.0000 176.0643 51 T 4.0479 7.7447 117.8477 65.9770 68.8889 177.0684 52 T 3.9716 8.0120 117.3338 66.7417 68.4396 176.5750 53 G 3.5562 8.4180 107.3868 47.7686 0.0000 175.5123 54 A 4.1650 7.8804 123.1575 54.8354 18.2870 179.5027 55 L 3.9474 7.9346 118.7832 58.2384 42.1568 179.2590 56 L 3.9933 7.9407 118.9899 57.7680 41.5524 179.4894 57 Q 4.1054 8.2213 117.9978 59.0173 28.4663 178.6229 58 E 3.9168 8.2795 118.3985 59.6574 29.6923 179.4745 59 K 4.2148 8.1855 117.0645 58.1817 31.5568 177.8331 60 L 4.5818 7.9281 116.5155 53.2494 43.2201 177.1445 61 G 3.7853 8.0654 106.4278 46.1983 0.0000 173.5423 62 L 4.1377 7.1117 117.9103 53.8139 42.6572 177.1990 63 K 4.1869 8.3823 127.2882 55.4057 30.7549 175.1140 64 V 4.5142 7.6393 123.3828 59.4639 34.3175 175.1007 65 H 4.3530 8.8462 121.9645 55.7003 29.5331 174.5107 66 R 4.8155 8.5889 123.2061 55.4060 31.2593 176.4217 67 L 4.7039 8.7928 124.3481 52.6688 45.1025 175.8936 68 K 4.0584 8.7191 118.7927 56.7287 33.5015 177.1143 69 S 4.2506 8.8733 117.3225 59.4961 63.6332 175.6654 70 G 3.7136 9.1680 113.6942 48.5205 0.0000 173.5923 71 P 4.5138 0.0000 0.0000 63.5850 31.4708 176.9208 72 L 4.6230 7.5393 117.6337 54.8482 42.2139 176.6923 73 G 3.9967 8.5317 106.9504 45.7469 0.0000 177.0214 74 G 3.6131 8.5510 107.8786 47.5611 0.0000 175.5836 75 D 4.3373 7.9855 121.1371 56.6768 39.3285 178.8816 76 Q 4.0095 7.9954 119.1198 58.3128 28.7360 178.2783 77 Q 3.9671 8.1701 119.2581 59.1930 28.7212 179.1397 78 I 3.7248 7.8917 120.7402 64.1748 37.0802 178.7924 79 G 3.5231 8.2097 106.3531 47.6574 0.0000 175.4048 80 A 3.9355 8.2717 123.9757 55.3174 18.3273 179.6954 81 M 3.9080 8.1121 117.0396 58.3162 31.9638 178.9122 82 I 3.7117 7.9267 120.0992 64.5697 37.1323 178.3747 83 A 2.5800 7.4235 119.7357 54.4281 18.2265 178.7047 84 E 4.1130 7.8621 114.5750 56.4473 29.7283 177.8097 85 G 3.8500 7.5325 107.2500 45.8231 0.0000 174.7710 86 K 4.1661 8.1289 119.2580 56.8736 32.5998 177.0639 87 I 4.5616 7.4202 119.2036 59.4464 39.9997 174.4331 88 D 5.0489 8.9737 122.7519 52.7724 40.8230 175.6606 89 V 4.6894 7.6700 118.8180 61.7528 35.4340 172.7427 90 L 5.1396 8.9158 129.6637 53.3801 44.6925 174.8128 91 I 4.8422 8.9519 128.0463 59.6513 39.7818 174.7610 92 F 5.3120 9.4465 130.4868 56.5117 42.1017 173.3804 93 F 5.3690 9.3833 126.8087 56.4347 39.9968 175.3704 94 W 5.2006 8.7371 120.0531 54.5750 31.6602 174.5508 95 D 4.4909 9.0268 120.2330 52.1602 40.4214 174.1686 96 P 4.0639 0.0000 0.0000 63.1860 32.1435 176.1982 97 L 4.4402 7.9781 119.3461 56.4082 43.7210 176.9007 98 E 4.7991 8.2279 115.3473 54.6696 30.2463 174.5467 99 P 4.3865 0.0000 0.0000 62.5067 32.6272 176.6374 100 Q 4.0847 8.5122 119.5696 55.7695 29.2395 177.7005 101 A 4.0196 8.5048 122.9712 55.0345 18.4995 178.3285 102 H 4.7407 7.7055 108.4852 55.3976 29.4869 175.1554 103 D 4.3514 7.5004 121.4023 54.3422 41.0360 176.4224 104 V 3.5358 8.6564 122.5316 63.3943 32.3668 174.9243 105 D 4.4753 8.7879 126.4199 54.1061 41.8004 176.8585 106 V 3.2826 8.3823 126.5438 65.7275 31.5315 177.8721 107 K 3.7604 7.9739 117.5440 59.5397 31.8565 178.9554 108 A 4.0354 8.1108 120.7354 55.0482 18.2394 179.7720 109 L 3.9565 7.4333 116.4168 57.9646 41.7932 179.7667 110 I 3.6984 7.7944 113.0957 63.7250 37.3453 177.9993 111 R 3.7620 8.4079 120.9412 59.5870 30.0283 178.3812 112 I 3.7959 7.6431 117.7151 63.8229 37.9938 177.5749 113 A 4.1225 8.2786 121.8459 55.2625 18.1000 179.7082 114 T 3.9542 7.8324 114.3738 66.2709 68.4800 177.1275 115 V 3.1174 7.5311 119.7100 66.0434 31.3827 176.2723 116 Y 4.4470 7.7281 112.5344 56.3213 38.1985 175.6105 117 N 4.0870 7.5273 116.3656 54.4276 37.3510 172.6945 118 I 4.7556 7.9015 113.2823 58.0488 41.2023 175.2615 119 P 4.5273 0.0000 0.0000 62.6920 32.5466 175.5902 120 V 4.9489 8.3427 122.5196 61.1113 34.6313 174.1583 121 A 4.7345 9.3275 130.4617 50.2893 20.7228 176.2578 122 I 5.1839 8.7558 113.6842 60.5759 38.5038 176.0081 123 T 4.5332 7.3506 111.0166 59.2733 73.0700 174.4477 124 R 3.2474 7.8566 122.2549 59.4331 30.0716 179.0585 125 S 4.2413 7.8377 113.5671 61.7628 63.0080 176.1986 126 T 3.7307 7.8683 119.2169 66.4701 68.2160 176.1907 127 A 4.0564 7.9195 122.4278 55.3966 17.7657 179.4652 128 D 4.7426 8.4789 117.3351 57.5455 40.8188 179.0938 129 F 4.2165 8.6380 119.8192 59.8933 38.7402 177.5023 130 L 4.0380 8.1212 117.5754 58.1004 41.6533 178.9085 131 I 3.9841 8.0143 116.9716 63.1060 38.4706 176.5728 132 S 4.5091 7.8219 113.1331 58.8050 64.0497 174.2835 133 S 4.3594 7.7058 117.2266 57.4403 62.3691 173.1543 134 P 4.4176 0.0000 0.0000 65.3095 31.6133 178.2459 135 L 4.2028 7.8956 119.0526 57.1248 41.8703 178.6768 136 M 4.1132 7.9140 118.2369 58.0749 32.1060 176.5434 137 N 4.9892 7.8420 111.3636 52.7732 38.9324 172.9358 138 D 5.1139 7.7082 117.1275 52.1025 45.3501 175.1289 139 V 4.4594 8.6216 113.9889 61.0848 32.5562 175.2310 140 Y 5.0067 8.1176 119.6430 55.9109 41.8288 172.7590 141 E 5.0043 9.0350 121.4851 54.8654 30.9753 175.1083 142 K 4.8116 9.0807 126.0039 55.0719 36.0741 175.0097 143 I 4.3590 8.2769 123.0985 60.6411 38.0122 174.8377 144 Q 4.2623 8.8985 130.2734 53.9858 30.4741 174.7014 145 I 3.7413 7.9140 128.0666 60.8249 37.5493 177.7252 146 D 4.7415 8.8645 127.2117 53.9866 37.7198 176.5293 147 Y 4.2164 7.6612 121.4998 60.5117 38.4132 177.1625 148 E 3.9549 8.2690 120.0378 59.1385 29.8877 178.3303 149 E 3.9131 8.2649 119.2859 59.1529 29.7484 178.4651 150 E 3.9411 7.7663 116.3823 59.4341 29.4764 178.6112 151 L 3.9196 8.1363 122.0250 57.7654 42.2136 178.3955 152 E 3.9084 8.3362 119.1487 59.4793 29.4957 178.8804 153 R 3.9361 7.9638 118.2561 59.3035 30.0329 178.6351 154 R 3.9156 8.1763 117.9961 59.4286 30.0882 179.0394 155 I 3.7887 8.2556 122.3431 64.9188 36.9291 179.4067 156 R 3.9783 7.9153 123.4088 62.1449 29.1472 181.9654 157 K 3.9052 7.7244 123.4270 59.6416 31.5912 181.0232 158 V 3.9218 7.3477 117.7152 65.9817 31.6198 178.1999 159 V 3.6136 7.8675 116.7672 65.6648 31.6204 175.4611 160 E 4.1178 8.6210 120.3627 56.7351 31.5859 174.4481 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 5 P 0.00 4.32 0.00 2.09 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 6 R 8.16 4.01 0.00 1.61 1.85 0.00 3.22 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.30 0.00 7 R 8.37 4.90 0.00 1.63 1.80 0.00 3.15 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 8 Y 8.60 4.94 0.00 2.93 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 9 K 8.60 4.85 0.00 1.49 1.56 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.39 7.81 10 I 8.39 4.35 1.71 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 1.26 0.70 0.85 0.00 0.00 11 F 8.40 5.01 0.00 2.92 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 12 M 8.86 4.51 0.00 1.66 0.81 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 13 D 8.50 4.79 0.00 2.65 2.76 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 14 K 8.64 4.29 0.00 1.83 1.91 0.00 1.86 0.00 0.00 1.07 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.43 7.81 15 K 8.12 4.38 0.00 1.74 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 K 8.86 4.73 0.00 1.81 1.76 0.00 1.79 0.00 0.00 2.13 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.75 7.81 17 R 9.42 5.10 0.00 1.73 1.96 0.00 3.27 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 18 I 9.20 4.97 2.00 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 1.24 0.93 1.02 0.00 0.00 19 A 8.79 4.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 9.02 5.12 0.00 1.57 1.54 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.73 4.64 0.97 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 0.91 0.80 0.09 0.00 0.00 22 A 8.34 5.47 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.66 4.63 0.00 3.31 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 9.29 4.40 0.00 2.78 2.78 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 25 R 8.03 4.32 0.00 1.84 1.99 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 26 R 8.13 4.78 0.00 2.12 2.18 0.00 3.32 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 27 K 7.86 3.92 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.79 7.81 28 R 8.03 4.01 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 29 D 8.24 4.53 0.00 3.14 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 30 L 8.20 3.87 0.00 1.42 1.74 0.18 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.00 4.02 0.00 1.97 1.94 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.45 4.08 0.00 2.33 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 0.00 2.40 2.69 0.00 33 W 8.36 4.18 0.00 3.68 3.59 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 34 V 8.55 3.55 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 1.21 0.00 0.00 35 S 8.03 4.08 0.00 4.04 4.11 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 36 F 8.11 4.29 0.00 3.04 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 37 N 7.28 4.70 0.00 2.03 2.29 0.00 0.00 6.84 7.05 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 38 L 7.86 3.99 0.00 1.56 1.63 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.88 3.67 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 0.00 0.00 0.00 40 T 7.63 4.10 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 1.25 0.00 0.00 41 L 7.96 4.18 0.00 1.65 1.73 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.27 4.26 0.00 3.95 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 43 K 7.74 4.16 0.00 1.69 1.73 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 44 H 7.66 5.05 0.00 3.08 3.44 0.00 5.64 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 45 E 9.03 4.56 0.00 2.26 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 2.19 2.31 0.00 46 L 8.39 5.39 0.00 1.57 1.54 0.93 0.91 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 47 Y 9.21 5.32 0.00 2.95 2.78 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 48 A 9.18 5.29 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 49 T 8.61 4.16 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 50 G 8.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.74 4.05 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 52 T 8.01 3.97 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 1.19 0.00 0.00 53 G 8.42 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.88 4.16 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 55 L 7.93 3.95 0.00 1.90 1.87 0.94 0.72 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 56 L 7.94 3.99 0.00 1.91 1.70 0.94 0.93 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 57 Q 8.22 4.11 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 58 E 8.28 3.92 0.00 2.04 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 2.35 2.40 0.00 59 K 8.19 4.21 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.64 7.81 60 L 7.93 4.58 0.00 1.82 1.62 0.93 1.23 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 61 G 8.07 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 62 L 7.11 4.14 0.00 1.59 1.55 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.38 4.19 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.33 7.81 64 V 7.64 4.51 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 0.85 0.00 0.00 0.95 0.00 0.00 65 H 8.85 4.35 0.00 2.65 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.59 4.82 0.00 1.69 1.87 0.00 3.40 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 67 L 8.79 4.70 0.00 1.67 1.81 0.98 0.69 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 68 K 8.72 4.06 0.00 1.87 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.44 7.81 69 S 8.87 4.25 0.00 3.77 3.82 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 70 G 9.17 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 71 P 0.00 4.51 0.00 2.06 2.25 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 72 L 7.54 4.62 0.00 1.60 1.63 0.91 0.96 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 73 G 8.53 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 0.00 0.00 0.00 74 G 8.55 3.61 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 0.00 0.00 0.00 75 D 7.99 4.34 0.00 2.92 2.93 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 76 Q 8.00 4.01 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 77 Q 8.17 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 78 I 7.89 3.72 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.84 0.00 0.00 79 G 8.21 3.52 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 0.00 0.00 0.00 80 A 8.27 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 81 M 8.11 3.91 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 82 I 7.93 3.71 1.95 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 1.41 1.02 0.90 0.00 0.00 83 A 7.42 2.58 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 84 E 7.86 4.11 0.00 2.05 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 2.28 2.23 0.00 85 G 7.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.13 4.17 0.00 1.68 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 87 I 7.42 4.56 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.91 0.00 0.00 88 D 8.97 5.05 0.00 2.68 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 89 V 7.67 4.69 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 90 L 8.92 5.14 0.00 1.82 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.95 4.84 1.79 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 1.16 0.96 0.55 0.00 0.00 92 F 9.45 5.31 0.00 2.98 2.78 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 93 F 9.38 5.37 0.00 3.05 2.93 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 94 W 8.74 5.20 0.00 2.91 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 0.00 0.00 0.00 0.00 95 D 9.03 4.49 0.00 2.75 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 96 P 0.00 4.06 0.00 1.83 0.99 0.00 3.45 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 97 L 7.98 4.44 0.00 1.48 1.62 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.23 4.80 0.00 1.93 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 2.20 2.34 0.00 99 P 0.00 4.39 0.00 2.20 2.16 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 100 Q 8.51 4.08 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 101 A 8.50 4.02 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 0.00 102 H 7.71 4.74 0.00 3.27 3.44 0.00 5.55 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 0.00 103 D 7.50 4.35 0.00 2.79 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.66 3.54 2.32 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 0.85 0.00 0.00 0.96 0.00 0.00 105 D 8.79 4.48 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.38 3.28 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 0.10 0.00 0.00 -0.04 0.00 0.00 107 K 7.97 3.76 0.00 1.86 1.77 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.09 7.81 108 A 8.11 4.04 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 0.00 109 L 7.43 3.96 0.00 1.89 1.81 0.96 0.73 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 0.00 110 I 7.79 3.70 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.82 0.00 0.00 111 R 8.41 3.76 0.00 1.94 2.07 0.00 3.01 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 112 I 7.64 3.80 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 1.03 0.00 0.00 113 A 8.28 4.12 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 0.00 114 T 7.83 3.95 4.34 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 1.21 0.00 0.00 115 V 7.53 3.12 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 0.11 0.00 0.00 0.68 0.00 0.00 116 Y 7.73 4.45 0.00 3.21 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 0.00 117 N 7.53 4.09 0.00 2.78 2.80 0.00 0.00 6.93 8.11 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 0.00 118 I 7.90 4.76 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 1.04 0.00 0.00 119 P 0.00 4.53 0.00 2.12 1.99 0.00 3.85 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 2.12 2.06 0.00 120 V 8.34 4.95 2.09 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 0.82 0.00 0.00 1.03 0.00 0.00 121 A 9.33 4.73 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 0.00 122 I 8.76 5.18 1.91 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 1.02 1.72 0.79 0.00 0.00 123 T 7.35 4.53 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 1.17 0.00 0.00 124 R 7.86 3.25 0.00 1.05 1.65 0.00 3.04 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.47 0.00 125 S 7.84 4.24 0.00 4.19 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 0.00 126 T 7.87 3.73 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 1.23 0.00 0.00 127 A 7.92 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.48 4.74 0.00 3.17 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 0.00 129 F 8.64 4.22 0.00 3.22 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 0.00 130 L 8.12 4.04 0.00 1.98 1.88 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.01 3.98 2.34 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 1.24 0.00 0.00 132 S 7.82 4.51 0.00 4.05 4.11 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 0.00 133 S 7.71 4.36 0.00 3.99 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 0.00 134 P 0.00 4.42 0.00 2.28 2.31 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 135 L 7.90 4.20 0.00 1.62 1.54 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 M 7.91 4.11 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 137 N 7.84 4.99 0.00 2.81 2.83 0.00 0.00 6.75 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 0.00 138 D 7.71 5.11 0.00 2.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.62 4.46 2.09 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 0.99 0.00 0.00 0.92 0.00 0.00 140 Y 8.12 5.01 0.00 3.06 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 0.00 141 E 9.04 5.00 0.00 2.28 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 2.22 2.11 0.00 142 K 9.08 4.81 0.00 1.90 1.99 0.00 1.11 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.45 7.81 143 I 8.28 4.36 1.81 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 1.21 0.80 0.79 0.00 0.00 144 Q 8.90 4.26 0.00 1.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 145 I 7.91 3.74 0.75 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 0.98 0.41 0.16 0.00 0.00 146 D 8.86 4.74 0.00 2.91 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 0.00 147 Y 7.66 4.22 0.00 2.94 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 0.00 148 E 8.27 3.95 0.00 2.14 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 2.41 2.46 0.00 149 E 8.26 3.91 0.00 2.29 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 2.29 2.36 0.00 150 E 7.77 3.94 0.00 2.30 2.21 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 2.37 2.57 0.00 151 L 8.14 3.92 0.00 1.89 1.93 0.93 1.16 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 0.00 152 E 8.34 3.91 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 153 R 7.96 3.94 0.00 2.11 2.00 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 154 R 8.18 3.92 0.00 2.06 1.97 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 155 I 8.26 3.79 2.01 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 1.39 0.80 0.91 0.00 0.00 156 R 7.92 3.98 0.00 1.83 1.93 0.00 3.29 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 157 K 7.72 3.91 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 158 V 7.35 3.92 2.22 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 0.95 0.00 0.00 0.98 0.00 0.00 159 V 7.87 3.61 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 0.91 0.00 0.00 0.95 0.00 0.00 160 E 8.62 4.12 0.00 2.14 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 2.37 2.23 0.00