NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4641 8.1693 120.6368 55.1338 43.1174 175.6701 8 H 4.8450 8.5361 115.3851 53.7879 31.2502 171.5029 9 K 4.6095 9.5243 122.9957 56.0858 33.6767 177.2639 10 E 4.9429 9.0220 122.4237 53.6758 33.8393 173.6873 11 P 5.0104 0.0000 0.0000 63.3851 32.3754 174.8094 12 A 4.8983 8.4516 121.7925 51.4415 23.1912 175.4925 13 T 4.6285 8.6482 115.0712 61.3294 71.9744 173.9955 14 L 4.1862 8.7358 128.4839 55.9241 42.3397 175.3001 15 I 4.3783 8.4990 126.1056 61.9455 38.7788 175.6812 16 K 4.5583 7.5363 120.2668 55.3032 35.6311 173.8901 17 A 4.5029 8.6802 130.4434 52.1448 19.2115 176.8107 18 I 4.1818 8.3514 124.9446 62.5940 38.2130 176.0332 19 D 4.5687 7.4499 118.0230 52.6786 41.3088 175.0548 20 G 3.8345 9.0754 107.1441 48.2288 0.0000 174.1334 21 E 4.6439 8.2623 115.9428 55.6773 30.2048 174.9277 22 T 5.3841 7.9175 115.3874 62.2234 72.6701 173.3176 23 V 4.8008 8.8126 124.7839 59.7794 35.7240 174.0998 24 K 5.0850 9.2366 124.0387 55.0116 33.9919 175.0306 25 L 5.3417 9.4920 126.7795 53.1394 46.6910 175.3024 26 M 4.8002 9.2253 122.2166 54.9142 33.5399 174.3422 27 Y 4.9536 9.4215 128.7209 55.6451 41.6536 175.6702 28 K 3.7954 9.1997 128.5519 57.6091 29.5329 175.3082 29 G 3.9285 8.1020 98.9671 46.3643 0.0000 172.5327 30 Q 4.6625 7.7837 120.2347 53.0386 32.3912 172.3589 31 P 5.0203 0.0000 0.0000 63.3030 32.2873 175.5390 32 M 4.9528 9.7408 122.5121 54.0286 37.2461 173.9505 33 T 4.8682 8.3892 117.9532 62.6538 70.6600 173.6143 34 F 4.9523 9.3744 125.4212 55.5225 42.1441 174.2428 35 R 5.0099 9.0488 123.9855 54.1848 32.2543 174.9842 36 L 4.3342 8.5132 127.2415 54.7133 40.9111 177.2812 37 L 3.9231 8.5820 124.7205 55.4041 43.1094 177.7041 38 L 4.4316 8.7131 119.5514 55.0351 39.2539 173.7109 39 V 4.8956 7.3686 117.5899 61.1546 34.6093 174.4939 40 D 5.0558 9.1547 126.5125 52.9428 43.9285 174.2926 41 T 4.7976 8.5997 116.4249 59.2709 71.1665 173.2014 42 P 4.2696 0.0000 0.0000 62.8495 32.1856 175.5224 43 E 4.7130 8.8385 123.2824 55.2660 30.7682 176.4260 44 T 4.0772 8.1862 113.8798 62.8537 69.8221 174.2267 45 K 4.4198 8.0110 123.6979 53.7338 34.1149 175.2518 46 H 4.2619 8.3340 119.9158 55.1355 31.3852 173.6819 47 P 4.6642 0.0000 0.0000 61.9180 30.5602 177.9340 48 K 4.4050 12.0000 118.3790 55.3274 33.3988 176.4860 49 K 3.9871 8.8290 120.5299 55.9192 32.1954 176.7165 50 G 4.0032 7.7771 107.0272 46.5068 0.0000 177.5068 51 V 4.4688 8.1028 124.6546 59.5253 30.8356 174.1713 52 E 4.2301 9.1752 128.6742 56.1542 31.0603 176.3150 53 K 3.8837 8.2920 121.3610 58.5040 32.3126 177.0576 54 Y 4.5324 8.1422 121.4323 59.3716 36.3686 171.0240 55 G 4.4869 8.1143 106.9700 47.8283 0.0000 173.6847 56 P 4.3058 0.0000 0.0000 65.0396 31.4072 178.6900 57 E 4.0181 8.2034 116.5770 59.3230 29.6524 179.0032 58 A 4.0143 8.6254 121.1697 55.2743 18.4038 179.8736 59 S 4.0850 8.2068 113.4090 61.6457 62.8689 176.6736 60 A 4.0091 8.0140 123.4332 55.1720 18.1424 179.2641 61 F 3.9480 8.5329 119.1689 61.8747 39.4106 177.2594 62 T 3.9559 8.0596 114.8429 66.5676 68.3339 176.2037 63 K 3.9483 8.2079 121.3387 59.7128 32.1667 178.8871 64 K 3.9248 8.1776 118.6174 59.4695 31.7227 178.9985 65 M 3.8364 7.6389 117.2878 58.9190 32.4005 178.5252 66 V 3.8002 7.9189 112.1600 63.9430 31.4941 178.5146 67 E 3.9402 8.0685 117.9636 59.1586 29.4600 177.4205 68 N 4.6035 8.2068 113.2666 53.2452 38.8243 174.9559 69 A 4.8919 7.5257 121.5963 50.8222 19.4022 178.0258 70 K 4.2585 8.9219 120.4199 57.8131 33.8659 177.1136 71 K 4.6356 8.5466 119.1601 54.4431 35.6192 175.3679 72 I 5.0058 8.4154 125.2618 59.5894 40.1819 174.4501 73 E 5.1675 9.0871 124.8234 54.6677 33.8084 174.9177 74 V 4.5309 8.7255 116.6972 59.4607 34.7854 174.6161 75 E 4.9318 8.9528 125.3173 54.2725 32.0669 174.9312 76 F 4.5542 8.7288 125.6761 57.7132 39.9737 175.9397 77 D 4.9559 8.5470 121.3868 53.8018 42.9939 176.2497 78 K 4.5311 8.8012 118.8731 56.9408 33.7839 177.1633 79 G 4.2781 8.4891 111.0003 44.6800 0.0000 173.4523 80 Q 4.0430 8.6960 120.6446 57.0023 29.1324 176.7013 81 R 4.7830 8.5119 118.2352 56.4096 31.5337 175.5506 82 T 5.1905 7.6187 108.6349 59.9683 72.3639 173.1646 83 D 4.9027 8.5214 123.5741 51.4855 41.9524 177.2372 84 K 3.8488 8.5823 116.9971 59.5221 32.3543 177.0586 85 Y 4.3586 7.9790 116.3378 57.5842 37.7186 176.3365 86 G 3.9034 8.1578 107.5036 45.7454 0.0000 174.2021 87 R 4.2514 7.8582 119.1504 55.2942 31.6840 176.2962 88 G 3.4577 8.7175 111.1663 46.0869 0.0000 172.6218 89 L 5.3242 8.9196 124.2249 53.2042 42.9963 175.5065 90 A 4.5108 8.4481 125.0599 50.8206 23.7353 173.8933 91 Y 4.9217 8.8609 117.2679 57.1259 39.5742 175.2531 92 I 4.8121 8.4544 125.1651 59.7182 40.1005 174.1777 93 Y 4.9717 9.3943 124.1563 56.0905 40.7984 174.4890 94 A 4.8479 9.3245 126.5675 50.0753 21.2840 176.5151 95 D 4.2549 9.8751 125.7393 56.0434 38.9490 176.0877 96 G 4.0367 8.2630 105.1720 45.2231 0.0000 172.8269 97 K 4.4907 8.0201 122.0777 54.7009 33.8497 174.8721 98 M 3.9426 8.4405 125.6652 55.0115 33.1370 176.9829 99 V 3.6418 8.8243 127.3442 66.1918 31.4993 177.6867 100 N 4.3453 8.0053 115.7923 56.2476 38.4277 176.8759 101 E 3.8554 8.0398 119.9447 59.0022 30.0162 178.0496 102 A 4.0470 7.8316 120.8117 55.5267 18.3302 179.5793 103 L 3.3962 7.7905 116.7962 57.7509 41.6535 180.0344 104 V 3.7029 7.3847 117.7997 66.1327 31.3090 177.8467 105 R 3.8770 8.1385 117.4004 59.4380 29.8926 177.4560 106 Q 4.3232 7.6739 114.3883 54.9614 29.1161 175.9166 107 G 3.9516 8.1890 108.7452 46.9560 0.0000 174.7962 108 L 4.3542 7.6909 116.6393 53.5640 42.4345 176.1658 109 A 4.6767 7.3290 118.4255 50.9845 21.9298 176.1951 110 K 4.8487 8.7202 118.9896 54.7463 36.2073 175.6264 111 V 4.6781 8.9901 122.1816 62.5359 32.1526 174.9156 112 A 4.4343 8.1860 128.2984 49.8669 23.2749 174.2814 113 Y 3.2190 7.5162 113.2788 58.9773 34.9653 172.5921 114 V 3.7696 7.0742 117.2683 61.8663 32.1889 174.6043 115 Y 4.8696 8.0073 126.0445 55.8984 39.1878 175.9736 116 K 4.5309 8.6627 124.8490 55.9878 32.7824 174.7943 117 P 4.8975 0.0000 0.0000 63.3758 32.0833 177.0417 118 N 4.9104 8.1171 117.4916 52.7768 37.1069 175.2307 119 N 5.1577 7.6890 111.8162 53.0830 39.2568 177.1785 120 T 3.8352 8.7315 118.3028 67.7022 68.6825 174.7837 121 H 4.8568 8.0082 115.6984 55.6721 29.0700 176.4803 122 E 3.9713 8.2947 123.5922 59.4911 29.2939 178.8485 123 Q 3.9281 8.0241 119.0842 59.2844 29.1313 177.2556 124 H 4.1777 8.2084 118.7866 59.4084 29.8626 177.0881 125 L 3.8874 8.0457 120.6831 57.8945 41.4997 179.7293 126 R 3.8926 8.3197 118.3461 58.9625 30.0106 179.0132 127 K 3.9061 8.1705 119.5737 59.6520 32.2214 179.0972 128 S 4.1026 7.7186 115.5467 61.3754 62.6814 176.2663 129 E 3.8839 8.5088 122.2009 59.2118 29.4292 178.6800 130 A 3.6790 7.8715 120.7614 55.0764 18.3509 179.3029 131 Q 3.8128 7.8261 117.2883 59.3789 29.1209 178.5489 132 A 4.0258 7.8589 121.6384 54.7855 18.3826 179.9071 133 K 3.2649 7.6149 117.1070 59.3086 31.8201 179.3618 134 K 3.7644 7.8459 117.7418 59.6486 32.1534 178.2262 135 E 4.2377 7.7464 114.3645 55.1763 30.5409 176.2648 136 K 4.1998 8.1905 118.4195 56.1614 30.3981 174.8693 137 L 4.5547 8.1176 118.3606 54.9097 45.1818 178.3165 138 N 3.6059 9.2640 118.0015 52.8702 38.3562 176.0556 139 I 3.2082 5.4200 124.4084 64.8559 37.7528 176.6516 140 W 4.7999 8.0125 118.5410 56.5032 29.0448 176.7037 141 S 4.8048 8.3128 119.4610 57.9361 62.6566 173.9248 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 7 L 8.17 4.46 0.00 1.74 1.81 1.02 0.86 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 8 H 8.54 4.85 0.00 3.19 3.24 0.00 5.52 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 9 K 9.52 4.61 0.00 1.56 1.65 0.00 1.32 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.17 1.29 7.81 10 E 9.02 4.94 0.00 2.07 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 0.00 2.27 2.22 0.00 11 P 0.00 5.01 0.00 2.09 2.06 0.00 3.81 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 2.02 1.99 0.00 12 A 8.45 4.90 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 13 T 8.65 4.63 4.27 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 1.23 0.00 0.00 14 L 8.74 4.19 0.00 1.66 1.58 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.50 4.38 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.94 0.00 0.00 16 K 7.54 4.56 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 A 8.68 4.50 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 18 I 8.35 4.18 1.99 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 1.38 0.91 0.91 0.00 0.00 19 D 7.45 4.57 0.00 2.87 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 20 G 9.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.26 4.64 0.00 2.12 2.18 0.00 0.00 0.00 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 2.26 0.00 22 T 7.92 5.38 4.28 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 1.26 0.00 0.00 23 V 8.81 4.80 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 0.93 0.00 0.00 0.95 0.00 0.00 24 K 9.24 5.09 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.49 7.81 25 L 9.49 5.34 0.00 1.66 1.53 0.49 0.58 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 26 M 9.23 4.80 0.00 2.15 2.00 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 2.61 2.56 0.00 27 Y 9.42 4.95 0.00 3.23 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 28 K 9.20 3.80 0.00 1.54 1.60 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.81 0.21 7.81 29 G 8.10 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 0.00 0.00 0.00 30 Q 7.78 4.66 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 31 P 0.00 5.02 0.00 2.16 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 9.74 4.95 0.00 1.70 2.14 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 33 T 8.39 4.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 34 F 9.37 4.95 0.00 2.96 2.91 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 35 R 9.05 5.01 0.00 1.84 1.75 0.00 3.33 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.51 4.33 0.00 1.73 1.63 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.58 3.92 0.00 1.11 1.36 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.71 4.43 0.00 2.00 1.82 1.15 1.00 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 39 V 7.37 4.90 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 0.77 0.00 0.00 0.95 0.00 0.00 40 D 9.15 5.06 0.00 2.74 2.37 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 0.00 41 T 8.60 4.80 4.24 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 1.24 0.00 0.00 42 P 0.00 4.27 0.00 2.34 2.07 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 43 E 8.84 4.71 0.00 2.01 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 2.33 2.66 0.00 44 T 8.19 4.08 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 1.19 0.00 0.00 45 K 8.01 4.42 0.00 1.70 1.71 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.45 7.81 46 H 8.33 4.26 0.00 3.19 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.66 0.00 2.07 2.06 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 48 K 12.00 4.40 0.00 2.08 1.72 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.64 7.81 49 K 8.83 3.99 0.00 1.89 1.95 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.40 7.81 50 G 7.78 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 51 V 8.10 4.47 2.07 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 0.75 0.00 0.00 0.90 0.00 0.00 52 E 9.18 4.23 0.00 1.96 1.88 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 2.29 2.30 0.00 53 K 8.29 3.88 0.00 1.52 1.43 0.00 1.15 0.00 0.00 1.33 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.18 7.81 54 Y 8.14 4.53 0.00 3.14 3.23 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 55 G 8.11 4.49 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 56 P 0.00 4.31 0.00 2.15 2.12 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.20 4.02 0.00 2.37 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 0.00 2.60 2.53 0.00 58 A 8.63 4.01 1.37 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 0.00 0.00 0.00 59 S 8.21 4.08 0.00 3.93 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 60 A 8.01 4.01 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 61 F 8.53 3.95 0.00 3.23 3.20 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 62 T 8.06 3.96 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 1.32 0.00 0.00 63 K 8.21 3.95 0.00 2.04 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.50 7.81 64 K 8.18 3.92 0.00 1.77 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 65 M 7.64 3.84 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 66 V 7.92 3.80 2.07 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 0.80 0.00 0.00 1.02 0.00 0.00 67 E 8.07 3.94 0.00 2.07 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 2.33 0.00 68 N 8.21 4.60 0.00 2.71 2.81 0.00 0.00 7.01 7.06 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 69 A 7.53 4.89 1.37 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 0.00 0.00 0.00 70 K 8.92 4.26 0.00 1.87 1.94 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 71 K 8.55 4.64 0.00 1.70 1.71 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.42 5.01 2.02 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 1.34 1.03 0.85 0.00 0.00 73 E 9.09 5.17 0.00 1.90 1.74 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 2.19 2.25 0.00 74 V 8.73 4.53 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 -0.07 0.00 0.00 0.60 0.00 0.00 75 E 8.95 4.93 0.00 2.16 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 0.00 2.51 2.43 0.00 76 F 8.73 4.55 0.00 3.14 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 77 D 8.55 4.96 0.00 2.67 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 78 K 8.80 4.53 0.00 1.90 1.95 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.41 7.81 79 G 8.49 4.28 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 0.00 80 Q 8.70 4.04 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 81 R 8.51 4.78 0.00 1.53 1.64 0.00 2.78 0.00 0.00 2.44 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 82 T 7.62 5.19 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 1.15 0.00 0.00 83 D 8.52 4.90 0.00 2.82 2.86 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 0.00 0.00 0.00 0.00 84 K 8.58 3.85 0.00 1.55 1.77 0.00 1.18 0.00 0.00 1.47 0.00 0.00 2.65 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.08 0.32 7.81 85 Y 7.98 4.36 0.00 3.08 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 86 G 8.16 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 0.00 0.00 0.00 87 R 7.86 4.25 0.00 1.86 1.77 0.00 3.09 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 88 G 8.72 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.92 5.32 0.00 1.56 1.66 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.51 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.86 4.92 0.00 3.10 2.74 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 92 I 8.45 4.81 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.67 0.83 0.00 0.00 93 Y 9.39 4.97 0.00 2.87 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 94 A 9.32 4.85 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 95 D 9.88 4.25 0.00 2.82 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 96 G 8.26 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 0.00 0.00 0.00 97 K 8.02 4.49 0.00 1.80 1.70 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 98 M 8.44 3.94 0.00 1.92 1.55 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.34 0.00 99 V 8.82 3.64 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 1.04 0.00 0.00 0.95 0.00 0.00 100 N 8.01 4.35 0.00 2.90 2.91 0.00 0.00 6.78 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 0.00 101 E 8.04 3.86 0.00 1.90 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 2.21 2.08 0.00 102 A 7.83 4.05 1.67 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 0.00 103 L 7.79 3.40 0.00 1.82 1.58 1.00 0.67 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 0.00 104 V 7.38 3.70 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 1.09 0.00 0.00 0.96 0.00 0.00 105 R 8.14 3.88 0.00 2.05 2.11 0.00 3.33 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.67 4.32 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.41 2.13 0.00 107 G 8.19 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 0.00 0.00 0.00 108 L 7.69 4.35 0.00 1.28 1.41 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.33 4.68 1.12 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 0.00 110 K 8.72 4.85 0.00 1.90 1.81 0.00 1.08 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.39 7.81 111 V 8.99 4.68 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 1.07 0.00 0.00 0.95 0.00 0.00 112 A 8.19 4.43 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 0.00 113 Y 7.52 3.22 0.00 2.85 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 0.00 114 V 7.07 3.77 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 0.82 0.00 0.00 0.95 0.00 0.00 115 Y 8.01 4.87 0.00 3.07 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 0.00 116 K 8.66 4.53 0.00 1.80 1.80 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 117 P 0.00 4.90 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 118 N 8.12 4.91 0.00 3.00 2.88 0.00 0.00 6.60 7.55 0.00 0.00 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 N 7.69 5.16 0.00 2.86 2.99 0.00 0.00 6.08 7.22 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 0.00 120 T 8.73 3.84 4.26 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 1.07 0.00 0.00 121 H 8.01 4.86 0.00 2.85 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.29 3.97 0.00 2.12 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 2.33 2.35 0.00 123 Q 8.02 3.93 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 124 H 8.21 4.18 0.00 3.25 3.45 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.05 3.89 0.00 1.86 1.68 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.32 3.89 0.00 1.90 1.95 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 127 K 8.17 3.91 0.00 1.94 2.06 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 128 S 7.72 4.10 0.00 3.91 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 0.00 129 E 8.51 3.88 0.00 2.12 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 2.19 2.60 0.00 130 A 7.87 3.68 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 0.00 131 Q 7.83 3.81 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 7.86 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.26 0.00 1.42 1.31 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.53 7.81 134 K 7.85 3.76 0.00 1.87 1.84 0.00 1.46 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 135 E 7.75 4.24 0.00 1.91 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 2.29 2.56 0.00 136 K 8.19 4.20 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.56 7.81 137 L 8.12 4.55 0.00 2.04 1.61 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.26 3.61 0.00 2.43 1.42 0.00 0.00 7.58 7.32 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 0.00 139 I 5.42 3.21 1.14 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.10 -0.50 0.00 0.00 140 W 8.01 4.80 0.00 3.32 3.13 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 0.00 141 S 8.31 4.80 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